HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-MAY-08 3D37 COMPND TAIL PROTEIN, 43 KDA; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; SOURCE 3 ORGANISM_TAXID: 122586; SOURCE 4 STRAIN: MC58 / SEROGROUP B; SOURCE 5 GENE: GI:7226348, NMB1110; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,H.LI,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET CL A 382 1 HET CL A 383 1 HET CL A 384 1 HET CL B 382 1 HET CL B 383 1 HET CL B 384 1 SSBOND 1 CYS A 190 CYS A 198 1555 1555 2.09 SSBOND 2 CYS B 190 CYS B 198 1555 1555 2.08 SITE 1 AC1 2 ARG B 20 GLY B 65 SITE 1 AC2 4 ASP B 30 ILE B 33 PRO B 34 ASP B 36 SITE 1 AC3 4 ASP A 30 ILE A 33 PRO A 34 ASP A 36 SITE 1 AC4 1 ARG A 290 mTYR.A 6 -8.71 54.44 110.65 -8.45 54.42 111.62 -10.61 54.64 108.88 -10.97 54.95 107.71 -9.10 54.47 109.18 -8.55 53.24 108.44 3 0 18.06-999 ?-999 ?-999 ? CL CL A 384 mGLY.A 7 -11.46 54.39 109.90 -11.02 53.92 110.66 -13.15 55.60 111.14 -12.20 56.11 111.73 -12.90 54.74 109.89-999.99-999.99-999.99 1 0 16.09-999 ?-999 ?-999 ? CL CL A 384 mTYR.A 8 -14.40 55.72 111.59 -15.07 55.22 111.05 -14.49 55.76 114.11 -14.91 54.62 114.26 -14.72 56.51 112.79 -16.18 56.96 112.76 3 0 15.90-999 ?-999 ?-999 ? CL CL A 384 mALA.A 9 -13.89 56.43 115.10 -13.45 57.28 114.81 -15.14 56.49 117.15 -15.30 57.69 117.35 -13.87 55.96 116.46 -12.58 56.43 117.23 2 0 19.21-999 ?-999 ?-999 ? CL CL A 384 mVAL^A 10 -16.07 55.59 117.43 -15.81 54.65 117.18 -17.32 55.23 119.42 -17.17 53.97 119.50 -17.33 55.92 118.06 -18.53 55.47 117.21 3 0 19.64-999 ?-999 ?-999 ? CL CL A 384 mSER^A 11 -17.49 56.01 120.49 -17.55 56.99 120.30 -18.74 55.93 122.68 -19.28 57.01 122.46 -17.58 55.42 121.82 -16.30 55.62 122.60 2 0 20.55-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 12 -19.08 55.12 123.68 -18.66 54.22 123.63 -19.04 55.67 125.92 -18.48 54.69 126.38 -19.98 55.50 124.75 -21.05 54.42 125.01 3 0 18.98-999 ?-999 ?-999 ? CL CL A 382 mARG^A 13 -18.83 56.91 126.34 -19.33 57.62 125.84 -18.74 57.19 128.74 -19.69 57.93 128.88 -17.94 57.21 127.43 -17.34 58.60 127.22 2 0 20.44-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 14 -18.36 56.30 129.66 -17.61 55.71 129.38 -17.91 56.07 132.02 -17.09 55.11 131.95 -19.01 56.20 130.97 -19.87 54.91 131.11 3 0 21.55-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 15 -17.90 56.98 133.00 -18.62 57.67 132.94 -15.50 56.91 133.43 -14.74 55.94 133.61 -16.89 56.94 134.05-999.99-999.99-999.99 1 0 24.36-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 16 -15.22 57.95 132.64 -15.99 58.58 132.53 -13.53 57.07 131.01 -12.56 57.21 130.26 -13.92 58.16 131.98-999.99-999.99-999.99 1 0 25.17-999 ?-999 ?-999 ? CL CL A 382 mLYS^A 17 -14.31 56.00 131.00 -15.15 56.10 131.53 -14.69 54.80 128.96 -15.86 55.12 128.89 -13.97 54.79 130.31 -14.44 53.61 131.17 2 0 25.80-999 ?-999 ?-999 ? CL CL A 382 mGLU^A 18 -13.95 54.47 127.91 -13.01 54.22 128.14 -14.89 53.07 126.22 -14.12 52.13 126.38 -14.45 54.46 126.55 -13.35 54.82 125.54 2 0 24.40-999 ?-999 ?-999 ? CL CL A 382 mHIS^A 19 -16.12 52.92 125.76 -16.69 53.74 125.84 -16.75 51.85 123.69 -17.57 52.67 123.22 -16.57 51.67 125.18 -17.86 51.21 125.85 3 0 24.02-999 ?-999 ?-999 ? CL CL A 382 mARG.A 20 -16.01 51.03 122.97 -15.67 50.25 123.49 -16.08 49.88 120.86 -16.61 48.97 121.47 -15.71 51.20 121.57 -14.20 51.44 121.50 2 0 24.56-999 ?-999 ?-999 ? CL CL A 382 mHIS.A 21 -15.85 49.79 119.57 -15.65 50.66 119.12 -17.35 47.90 118.72 -17.55 46.71 118.78 -15.92 48.49 118.90 -15.00 47.44 119.60 3 0 25.21-999 ?-999 ?-999 ? CL CL A 384 mTRP.A 22 -18.30 48.74 118.38 -17.97 49.68 118.29 -19.85 47.62 116.86 -19.19 47.94 115.88 -19.67 48.33 118.16 -20.54 49.57 118.18 3 0 23.91-999 ?-999 ?-999 ? CL CL A 382 mGLU.A 23 -20.76 46.66 116.81 -21.11 46.33 117.69 -22.28 46.92 114.88 -22.36 46.94 113.67 -21.16 46.15 115.53 -21.49 44.67 115.62 2 0 24.51-999 ?-999 ?-999 ? CL CL A 384 mARG^A 24 -23.17 47.54 115.68 -23.06 47.40 116.66 -24.62 49.49 116.09 -24.37 49.40 117.26 -24.22 48.35 115.11 -25.41 47.47 114.64 2 0 21.90-999 ?-999 ?-999 ? CL CL A 382 mTYR^A 25 -25.07 50.61 115.55 -24.99 50.66 114.56 -26.57 52.51 115.59 -26.58 52.49 114.35 -25.62 51.66 116.39 -24.51 52.51 117.08 3 0 18.14-999 ?-999 ?-999 ? CL CL A 382 mASP^A 26 -27.36 53.28 116.34 -27.26 53.11 117.32 -28.25 55.39 116.81 -28.54 55.19 117.99 -28.28 54.25 115.82 -29.69 53.68 115.80 2 0 14.87-999 ?-999 ?-999 ? CL CL A 382 mILE^A 27 -27.93 56.60 116.34 -27.76 56.61 115.35 -28.74 58.83 116.49 -28.41 59.29 115.39 -27.86 57.79 117.18 -26.41 58.28 117.29 3 0 11.81-999 ?-999 ?-999 ? CL CL A 382 mASP^A 28 -29.88 59.14 117.12 -29.96 58.80 118.06 -31.19 61.20 117.24 -31.42 61.22 118.44 -30.92 59.90 116.52 -32.19 59.08 116.32 2 0 8.86-999 ?-999 ?-999 ? CL CL A 382 mSER^A 29 -30.99 62.29 116.50 -30.60 62.08 115.60 -32.32 64.35 116.04 -32.25 64.23 114.83 -31.31 63.66 116.96 -30.05 64.52 117.05 2 0 5.87-999 ?-999 ?-999 ? CL CL A 382 mASP^A 30 -33.21 65.11 116.65 -32.97 65.26 117.61 -34.90 66.90 116.76 -35.03 66.88 117.97 -34.40 65.68 116.00 -35.52 64.63 115.87 2 0 -4.77-999 ?-999 ?-999 ? CL CL A 382s mPHE.A 31 -35.18 68.00 116.08 -35.00 67.96 115.10 -37.10 68.94 117.43 -37.41 69.53 118.45 -35.70 69.15 116.81 -35.76 70.38 115.89 3 0 4.60-999 ?-999 ?-999 ? CL CL A 382 mLEU.A 32 -37.92 68.11 116.81 -37.51 67.62 116.04 -39.49 66.74 118.12 -40.28 66.84 119.04 -39.29 67.93 117.20 -40.23 67.84 115.98 3 0 5.88-999 ?-999 ?-999 ? CL CL A 382 mILE.A 33 -38.74 65.67 117.99 -38.15 65.66 117.19 -38.07 65.11 120.25 -36.91 65.44 120.17 -38.83 64.62 118.99 -38.34 63.27 118.42 3 0 -5.00-999 ?-999 ?-999 ? CL CL A 382s mPRO.A 34 -38.76 65.20 121.41 -39.69 64.85 121.35 -36.81 65.22 123.07 -35.86 65.99 123.16 -38.19 65.76 122.66 -39.24 65.38 123.72 3 0 -4.22-999 ?-999 ?-999 ? CL CL A 382s mALA.A 35 -36.69 63.92 123.30 -37.52 63.40 123.09 -34.73 62.60 122.66 -35.25 61.61 122.15 -35.44 63.33 123.80 -35.72 62.35 124.94 2 0 4.78-999 ?-999 ?-999 ? CL CL A 382 mASP.A 36 -33.57 63.11 122.23 -33.36 64.00 122.62 -32.29 61.07 121.95 -32.33 60.93 123.16 -32.70 62.40 121.29 -31.47 63.24 120.93 2 0 -4.87-999 ?-999 ?-999 ? CL CL A 382s mSER^A 37 -31.99 60.06 121.13 -31.95 60.30 120.16 -30.56 58.05 120.92 -30.06 58.43 119.85 -31.72 58.75 121.63 -32.98 57.88 121.45 2 0 8.63-999 ?-999 ?-999 ? CL CL A 382 mPHE^A 38 -30.11 57.03 121.59 -30.59 56.86 122.45 -29.28 54.77 121.45 -29.96 54.43 122.43 -29.03 56.22 121.11 -27.68 56.69 121.68 3 0 12.00-999 ?-999 ?-999 ? CL CL A 382 mASP^A 39 -28.67 53.94 120.60 -28.16 54.42 119.89 -27.45 51.86 120.09 -27.09 52.15 118.97 -28.73 52.51 120.66 -29.94 52.12 119.85 2 0 15.48-999 ?-999 ?-999 ? CL CL A 382 mPHE^A 40 -26.77 51.06 120.90 -27.22 50.94 121.79 -25.53 48.88 120.81 -26.05 48.44 121.82 -25.50 50.40 120.54 -24.32 51.00 121.36 3 0 18.79-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 41 -24.95 48.10 119.90 -24.60 48.60 119.10 -23.40 46.24 119.65 -22.86 46.72 118.66 -24.83 46.67 120.04 -25.79 45.89 119.11 3 0 22.42-999 ?-999 ?-999 ? CL CL A 382 mILE^A 42 -22.78 45.41 120.48 -23.17 45.36 121.40 -21.96 43.14 120.11 -22.74 42.71 120.99 -21.61 44.65 120.01 -20.32 45.11 120.76 3 0 25.72-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 43 -21.42 42.35 119.19 -20.77 42.81 118.58 -20.57 39.99 118.87 -20.43 39.45 117.76 -21.75 40.92 119.11-999.99-999.99-999.99 1 0 28.96-999 ?-999 ?-999 ? CL CL A 382 mARG.A 44 -19.71 39.83 119.89 -19.94 40.38 120.70 -18.37 38.19 121.13 -18.22 38.81 122.19 -18.54 38.94 119.81 -17.23 39.71 119.49 2 0 32.20-999 ?-999 ?-999 ? CL CL A 382 mPRO.A 52 -20.36 44.37 132.75 -20.18 43.66 132.07 -22.01 46.08 133.54 -22.36 46.42 132.42 -20.62 45.41 133.74 -19.48 46.40 133.48 3 0 28.76-999 ?-999 ?-999 ? CL CL A 382 mASP.A 53 -22.80 46.25 134.60 -22.44 45.85 135.45 -23.90 48.51 134.41 -23.61 49.16 135.42 -24.08 46.97 134.46 -25.09 46.58 135.54 2 0 26.40-999 ?-999 ?-999 ? CL CL A 382 mLEU.A 54 -24.11 49.08 133.21 -24.34 48.42 132.50 -25.37 51.19 132.98 -25.44 52.37 132.77 -24.00 50.51 132.99 -23.28 50.81 131.65 3 0 23.06-999 ?-999 ?-999 ? CL CL A 382 mSER.A 55 -26.45 50.44 133.20 -26.27 49.48 133.37 -27.89 52.05 134.28 -27.42 51.83 135.42 -27.78 51.03 133.17 -28.91 49.97 133.29 2 0 21.30-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 56 -28.48 53.19 133.93 -28.82 53.23 132.99 -27.42 55.16 134.96 -27.48 56.13 135.69 -28.63 54.28 134.84-999.99-999.99-999.99 1 0 19.88-999 ?-999 ?-999 ? CL CL A 382 mGLU.A 57 -26.32 54.84 134.27 -26.43 54.00 133.75 -25.17 56.82 133.31 -25.78 56.72 132.27 -25.09 55.65 134.30 -23.87 54.81 133.89 2 0 20.08-999 ?-999 ?-999 ? CL CL A 382 mSER^A 58 -24.51 57.92 133.66 -24.11 57.88 134.57 -23.39 58.75 131.72 -22.43 58.04 131.95 -24.38 59.07 132.81 -23.86 60.26 133.60 2 0 17.72-999 ?-999 ?-999 ? CL CL A 382 mCYH^A 59 -23.64 59.24 130.51 -24.46 59.81 130.44 -22.60 60.06 128.40 -23.39 60.98 128.38 -22.72 58.93 129.41 -23.13 57.63 128.71 2 0 16.78-999 ?-999 ?-999 ? CL CL A 382 mGLU^A 60 -21.60 59.93 127.56 -20.97 59.19 127.80 -21.20 59.91 125.21 -20.54 58.87 125.31 -21.43 60.79 126.40 -20.27 61.78 126.62 2 0 15.63-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 61 -21.79 60.29 124.08 -22.37 61.10 124.14 -20.53 60.38 122.11 -20.65 61.57 122.01 -21.58 59.57 122.87 -22.88 59.39 122.08 3 0 15.11-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 62 -19.47 59.74 121.65 -19.51 58.75 121.71 -17.98 59.90 119.74 -17.87 58.69 119.59 -18.34 60.50 121.09 -17.10 60.49 122.06 3 0 17.49-999 ?-999 ?-999 ? CL CL A 382 mILE^A 63 -17.82 60.76 118.75 -18.07 61.70 119.00 -16.05 61.15 117.16 -16.08 62.38 117.16 -17.34 60.35 117.43 -18.39 60.64 116.31 3 0 17.10-999 ?-999 ?-999 ? CL CL A 384 mASP.A 64 -14.95 60.44 116.95 -15.13 59.46 116.98 -13.32 62.11 117.67 -12.94 63.21 117.28 -13.61 61.03 116.68 -13.50 61.63 115.26 2 0 17.28-999 ?-999 ?-999 ? CL CL A 384 mGLY.A 65 -13.54 61.80 118.95 -13.91 60.88 119.09 -14.21 63.86 120.17 -14.03 64.71 121.03 -13.27 62.71 120.05-999.99-999.99-999.99 1 0 20.01-999 ?-999 ?-999 ? CL CL A 384 mGLN^A 66 -15.25 63.91 119.34 -15.28 63.20 118.63 -17.53 64.42 120.11 -18.12 63.42 119.60 -16.23 64.98 119.51 -16.47 65.65 118.19 2 0 18.32-999 ?-999 ?-999 ? CL CL A 384 mILE^A 67 -17.94 65.02 121.21 -17.35 65.76 121.53 -20.35 65.01 120.97 -20.48 66.18 120.57 -19.16 64.61 121.87 -19.30 65.26 123.24 3 0 15.70-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 68 -21.22 64.04 120.66 -20.97 63.14 121.03 -23.72 64.22 120.66 -24.78 64.68 120.20 -22.41 64.28 119.84 -22.43 63.35 118.55 3 0 12.52-999 ?-999 ?-999 ? CL CL A 382 mMET^A 69 -23.65 63.70 121.88 -22.72 63.41 122.13 -24.37 63.32 124.18 -23.42 62.57 124.40 -24.82 63.57 122.75 -25.74 62.41 122.28 2 0 10.56-999 ?-999 ?-999 ? CL CL A 382 mTHR^A 70 -25.10 63.92 125.11 -25.83 64.50 124.74 -26.20 63.21 127.10 -27.25 63.76 126.86 -24.90 63.77 126.54 -24.51 65.18 127.20 2 0 11.80-999 ?-999 ?-999 ? CL CL A 382 mGLY^A 71 -26.14 62.10 127.82 -25.21 61.76 127.98 -27.15 60.42 129.38 -26.17 60.42 130.09 -27.35 61.47 128.32-999.99-999.99-999.99 1 0 11.87-999 ?-999 ?-999 ? CL CL A 382 mILE^A 72 -28.09 59.48 129.44 -28.73 59.52 128.67 -28.52 57.19 129.81 -29.43 57.13 128.99 -28.17 58.50 130.50 -29.28 58.85 131.60 3 0 14.44-999 ?-999 ?-999 ? CL CL A 382 mILE^A 73 -27.79 56.14 130.18 -27.02 56.38 130.77 -29.39 54.36 130.48 -29.44 54.33 131.73 -28.10 54.77 129.74 -26.94 53.83 129.99 3 0 16.46-999 ?-999 ?-999 ? CL CL A 382 mGLY^A 74 -30.44 54.13 129.71 -30.29 54.25 128.73 -31.83 52.25 130.40 -32.53 51.76 131.26 -31.70 53.74 130.27-999.99-999.99-999.99 1 0 16.51-999 ?-999 ?-999 ? CL CL A 382 mSER^A 75 -31.19 51.50 129.53 -30.60 51.99 128.88 -30.19 49.34 128.92 -29.44 49.87 128.10 -31.35 50.08 129.54 -32.68 49.66 128.91 2 0 19.24-999 ?-999 ?-999 ? CL CL A 382 mGLN^A 76 -30.04 48.11 129.37 -30.74 47.84 130.04 -29.45 45.83 128.78 -30.18 45.33 129.63 -28.96 47.24 128.93 -27.78 47.34 129.95 2 0 22.01-999 ?-999 ?-999 ? CL CL A 382 mARG^A 77 -29.03 45.17 127.71 -28.52 45.73 127.07 -28.00 42.95 127.23 -27.08 43.37 126.50 -29.30 43.76 127.50 -30.28 43.60 126.34 2 0 24.64-999 ?-999 ?-999 ? CL CL A 382 mHIS^A 78 -27.90 41.80 127.88 -28.53 41.70 128.65 -27.66 39.52 127.02 -28.53 38.97 127.71 -26.95 40.79 127.46 -25.92 40.50 128.57 3 0 27.98-999 ?-999 ?-999 ? CL CL A 382 mGLY^A 79 -27.31 39.06 125.85 -26.63 39.62 125.38 -26.77 36.92 124.81 -25.79 37.39 124.22 -27.87 37.84 125.30-999.99-999.99-999.99 1 0 30.12-999 ?-999 ?-999 ? CL CL A 382 mLYS^A 80 -26.95 35.63 125.10 -27.83 35.47 125.55 -26.82 33.36 124.25 -27.83 32.95 124.85 -26.02 34.53 124.81 -25.50 33.96 126.14 2 0 33.67-999 ?-999 ?-999 ? CL CL A 382 mSER^A 81 -26.35 32.78 123.17 -25.71 33.35 122.65 -25.45 30.75 122.28 -24.38 31.33 122.39 -26.74 31.43 122.78 -27.82 31.47 121.71 2 0 36.32-999 ?-999 ?-999 ? CL CL A 382 mLYS.A 82 -25.51 29.51 121.80 -26.42 29.10 121.79 -23.96 29.51 120.01 -24.82 29.67 119.17 -24.27 28.84 121.34 -24.38 27.31 121.23 2 0 39.37-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 83 -22.77 30.03 119.88 -22.13 29.82 120.62 -22.60 32.38 118.77 -22.02 33.03 117.94 -22.47 30.86 118.70-999.99-999.99-999.99 1 0 38.01-999 ?-999 ?-999 ? CL CL A 382 mSER^A 84 -23.33 32.97 119.70 -23.81 32.34 120.32 -23.54 34.98 121.15 -24.13 34.31 121.97 -23.40 34.46 119.76 -24.52 35.01 118.87 2 0 34.27-999 ?-999 ?-999 ? CL CL A 382 mARG^A 85 -22.93 36.13 121.42 -22.30 36.42 120.69 -23.34 38.32 122.11 -22.61 38.78 121.19 -23.13 36.92 122.63 -21.93 36.90 123.59 2 0 32.10-999 ?-999 ?-999 ? CL CL A 382 mGLU^A 86 -24.36 38.99 122.64 -24.86 38.48 123.34 -24.94 41.17 123.46 -25.67 40.75 124.34 -24.70 40.34 122.22 -25.93 40.32 121.30 2 0 28.33-999 ?-999 ?-999 ? CL CL A 382 mLEU^A 87 -24.22 42.29 123.58 -23.51 42.40 122.89 -25.05 44.50 123.95 -24.48 44.99 122.96 -24.47 43.26 124.63 -23.18 43.60 125.38 3 0 25.97-999 ?-999 ?-999 ? CL CL A 382 mSER^A 88 -26.19 44.98 124.43 -26.62 44.40 125.13 -27.06 47.23 125.05 -27.28 46.85 126.20 -26.75 46.25 123.96 -27.94 46.04 123.03 2 0 22.28-999 ?-999 ?-999 ? CL CL A 382 mLEU^A 89 -26.98 48.50 124.66 -26.72 48.57 123.70 -28.17 50.66 124.77 -27.95 50.92 123.56 -27.24 49.69 125.52 -25.95 50.50 125.76 3 0 19.29-999 ?-999 ?-999 ? CL CL A 382 mSER^A 90 -29.15 51.21 125.49 -29.29 50.81 126.39 -30.07 53.38 125.98 -29.94 53.15 127.17 -29.94 52.31 124.96 -31.36 51.92 124.55 2 0 15.85-999 ?-999 ?-999 ? CL CL A 382 mGLY^A 91 -30.43 54.53 125.47 -30.52 54.52 124.48 -31.15 56.87 125.53 -31.44 56.85 124.30 -30.66 55.67 126.28-999.99-999.99-999.99 1 0 13.11-999 ?-999 ?-999 ? CL CL A 382 mARG^A 92 -31.28 57.92 126.32 -31.00 57.73 127.26 -30.88 60.32 126.32 -30.09 60.12 127.24 -31.80 59.21 125.86 -33.20 59.42 126.40 2 0 9.66-999 ?-999 ?-999 ? CL CL A 382 mASP^A 93 -31.00 61.47 125.66 -31.57 61.40 124.84 -30.97 63.27 127.41 -31.89 62.67 127.95 -30.32 62.71 126.12 -30.23 63.77 124.99 2 0 8.11-999 ?-999 ?-999 ? CL CL A 382 mLEU~A 94 -30.47 64.41 127.90 -29.81 64.87 127.31 -32.32 65.43 129.21 -32.90 65.63 130.27 -30.89 64.90 129.21 -29.91 65.97 129.72 3 0 9.56-999 ?-999 ?-999 ? CL CL A 382 mALA~A 95 -32.90 65.65 128.02 -32.28 65.58 127.23 -35.15 64.86 128.45 -36.24 65.11 128.80 -34.32 65.97 127.91 -34.72 66.23 126.45 2 0 7.34-999 ?-999 ?-999 ? CL CL A 382 mGLY~A 96 -34.67 63.62 128.47 -33.79 63.51 128.00 -35.87 62.80 130.54 -36.96 62.42 130.87 -35.37 62.51 129.12-999.99-999.99-999.99 1 0 8.65-999 ?-999 ?-999 ? CL CL A 383 mPHE~A 97 -35.06 63.45 131.38 -34.13 63.55 131.05 -36.75 64.90 132.57 -37.73 64.73 133.28 -35.53 63.96 132.66 -34.41 64.76 133.35 3 0 9.92-999 ?-999 ?-999 ? CL CL A 383 mLEU~A 98 -36.67 65.89 131.69 -35.82 65.92 131.18 -39.03 66.21 130.94 -40.13 66.54 131.33 -37.77 66.86 131.53 -37.29 68.02 130.67 3 0 7.53-999 ?-999 ?-999 ? CL CL A 383 mVAL~A 99 -38.85 65.27 130.01 -37.90 65.15 129.75 -40.65 63.60 130.45 -41.88 63.37 130.37 -39.96 64.49 129.43 -39.47 63.56 128.25 3 0 4.45-999 ?-999 ?-999 ? CL CL A 383 mASP~A 100 -39.86 63.06 131.37 -38.90 63.36 131.32 -40.96 62.85 133.57 -41.98 62.45 134.09 -40.36 62.12 132.36 -39.25 61.23 132.92 2 0 7.36-999 ?-999 ?-999 ? CL CL A 383 mCYH~A 101 -40.28 63.90 134.03 -39.56 64.20 133.40 -41.57 65.68 135.23 -41.95 66.11 134.13 -40.55 64.55 135.33 -39.25 65.10 135.94 2 0 9.36-999 ?-999 ?-999 ? CL CL A 383 mSER.A 102 -42.04 66.14 136.37 -41.59 65.78 137.19 -42.74 68.58 136.41 -41.80 68.94 137.11 -43.16 67.12 136.34 -44.22 66.83 137.40 2 0 10.14-999 ?-999 ?-999 ? CL CL A 383 mALA.A 103 -43.45 69.42 135.64 -44.13 68.98 135.05 -43.65 71.29 137.10 -44.52 70.65 137.70 -43.22 70.84 135.69 -44.02 71.58 134.57 2 0 10.81-999 ?-999 ?-999 ? CL CL A 383 mPRO.A 104 -42.98 72.32 137.65 -42.07 72.49 137.25 -44.71 74.00 138.26 -44.95 74.09 137.03 -43.57 73.10 138.76 -42.40 73.98 139.26 3 0 14.60-999 ?-999 ?-999 ? CL CL A 383 mGLN.A 105 -45.40 74.68 139.18 -45.20 74.48 140.13 -45.83 77.10 138.84 -46.28 77.96 139.62 -46.38 75.66 138.73 -47.74 75.43 139.39 2 0 16.42-999 ?-999 ?-999 ? CL CL A 383 mLEU.A 106 -44.81 77.30 138.01 -44.49 76.45 137.58 -45.16 79.44 136.91 -45.87 78.93 136.04 -44.19 78.58 137.73 -42.89 78.30 136.95 3 0 17.44-999 ?-999 ?-999 ? CL CL A 383 mASN.A 107 -45.21 80.74 137.22 -44.75 80.97 138.08 -44.77 82.50 135.66 -43.83 82.97 136.30 -45.88 81.72 136.40 -46.65 82.65 137.36 2 0 19.37-999 ?-999 ?-999 ? CL CL A 383 mVAL.A 108 -44.86 82.67 134.33 -45.76 82.46 133.96 -43.68 84.64 133.07 -42.73 85.18 132.50 -43.69 83.14 133.54 -43.43 82.11 132.38 3 0 19.14-999 ?-999 ?-999 ? CL CL A 383 mLYS.A 109 -44.73 85.33 133.43 -45.23 84.90 134.17 -44.44 87.71 133.59 -44.48 87.72 134.86 -45.10 86.58 132.81 -46.62 86.70 132.91 2 0 22.23-999 ?-999 ?-999 ? CL CL A 383 mGLY.A 110 -43.76 88.65 132.95 -43.89 89.56 133.35 -41.51 88.52 132.43 -40.80 89.55 132.52 -42.92 88.53 131.83-999.99-999.99-999.99 1 0 23.75-999 ?-999 ?-999 ? CL CL A 383 mMET.A 111 -41.21 87.33 132.95 -41.97 86.92 133.46 -39.65 86.50 131.31 -40.51 86.07 130.56 -39.92 86.67 132.82 -39.93 85.25 133.41 2 0 22.44-999 ?-999 ?-999 ? CL CL A 383 mTHR~A 112 -38.46 86.94 130.92 -38.08 87.62 131.55 -37.88 85.00 129.46 -38.13 84.18 130.40 -37.74 86.52 129.74 -36.29 87.02 129.97 2 0 21.93-999 ?-999 ?-999 ? CL CL A 382 mVAL~A 113 -37.79 84.61 128.17 -37.63 85.35 127.52 -36.70 82.46 128.35 -36.83 81.40 128.90 -37.94 83.19 127.80 -38.26 82.98 126.26 3 0 18.19-999 ?-999 ?-999 ? CL CL A 382 mLEU~A 114 -35.52 83.11 128.30 -35.57 84.03 127.93 -34.32 82.21 130.25 -33.73 81.24 130.66 -34.28 82.50 128.77 -33.06 83.37 128.45 3 0 17.68-999 ?-999 ?-999 ? CL CL A 382 mASP~A 115 -34.98 83.09 131.04 -35.37 83.86 130.54 -36.19 81.94 132.90 -35.98 81.17 133.82 -35.12 82.93 132.50 -35.38 84.29 133.21 2 0 20.03-999 ?-999 ?-999 ? CL CL A 382 mALA~A 116 -37.33 81.93 132.23 -37.45 82.69 131.59 -37.73 79.42 132.04 -38.12 78.38 132.62 -38.30 80.83 132.45 -39.59 81.12 131.73 2 0 17.25-999 ?-999 ?-999 ? CL CL A 383 mALA~A 117 -36.80 79.38 131.08 -36.59 80.27 130.66 -35.15 77.67 131.78 -35.12 76.49 132.19 -36.16 78.08 130.71 -35.47 78.16 129.32 2 0 15.06-999 ?-999 ?-999 ? CL CL A 383 mLYS~A 118 -34.32 78.64 132.21 -34.45 79.51 131.73 -34.02 77.92 134.51 -33.52 76.97 135.15 -33.32 78.46 133.27 -32.58 79.79 133.62 2 0 17.24-999 ?-999 ?-999 ? CL CL A 382 mLYS~A 119 -35.18 78.48 134.80 -35.48 79.18 134.15 -36.28 76.64 135.90 -35.89 75.87 136.75 -35.93 78.09 135.99 -37.21 78.94 136.20 2 0 17.44-999 ?-999 ?-999 ? CL CL A 383 mLEU~A 120 -36.98 76.28 134.84 -37.10 77.03 134.19 -36.46 73.80 134.55 -36.76 72.64 134.86 -37.51 74.90 134.63 -38.37 74.84 133.38 3 0 13.75-999 ?-999 ?-999 ? CL CL A 383 mALA~A 121 -35.26 74.14 134.10 -35.20 75.10 133.83 -33.27 73.16 135.32 -32.37 72.33 135.45 -34.13 73.19 134.02 -33.25 73.56 132.86 2 0 14.10-999 ?-999 ?-999 ? CL CL A 383 mALA~A 122 -33.51 74.12 136.22 -34.25 74.74 135.95 -32.57 72.96 138.29 -31.43 72.66 138.67 -32.76 74.26 137.48 -33.39 75.39 138.40 2 0 17.54-999 ?-999 ?-999 ? CL CL A 383 mPRO.A 123 -33.67 72.19 138.54 -34.54 72.57 138.21 -32.63 69.84 138.67 -32.31 68.85 139.33 -33.56 70.90 139.27 -35.01 70.36 139.25 3 0 16.93-999 ?-999 ?-999 ? CL CL A 383 mTRP.A 124 -32.19 70.02 137.42 -32.50 70.85 136.96 -30.00 69.71 136.52 -29.72 70.11 135.39 -31.32 69.08 136.79 -31.98 68.47 135.55 3 0 16.12-999 ?-999 ?-999 ? CL CL A 383 mPRO.A 125 -29.14 69.76 137.57 -29.43 69.31 138.41 -27.00 69.79 136.45 -26.05 70.41 135.95 -27.87 70.45 137.45 -27.28 70.40 138.87 3 0 18.50-999 ?-999 ?-999 ? CL CL A 382 mGLN.A 126 -27.33 68.52 136.16 -27.99 68.13 136.80 -26.91 68.58 133.70 -26.00 68.55 132.84 -26.81 67.77 135.04 -27.45 66.33 135.01 2 0 16.43-999 ?-999 ?-999 ? CL CL A 382 mILE.A 127 -27.98 69.37 133.55 -28.70 69.19 134.22 -27.29 71.64 133.01 -27.79 72.41 133.82 -28.06 70.40 132.49 -29.56 70.74 132.12 3 0 14.04-999 ?-999 ?-999 ? CL CL A 382 mLYS.A 128 -26.07 71.81 132.52 -25.86 71.24 131.73 -25.13 74.16 132.48 -24.46 75.05 133.01 -25.12 72.76 133.10 -23.70 72.20 133.02 2 0 16.79-999 ?-999 ?-999 ? CL CL A 382 mALA.A 129 -25.85 74.37 131.37 -26.19 73.53 130.95 -27.41 75.75 130.08 -27.81 74.74 129.47 -26.10 75.72 130.84 -24.98 76.19 129.93 2 0 16.02-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 130 -28.09 76.90 130.16 -27.71 77.54 130.82 -28.96 78.42 128.48 -28.54 79.46 128.99 -29.26 77.18 129.34 -30.50 77.38 130.21 3 0 14.58-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 131 -29.19 78.31 127.18 -29.67 77.46 126.94 -30.03 79.63 125.37 -30.99 78.82 125.28 -28.79 79.30 126.21 -27.58 78.75 125.37 3 0 14.88-999 ?-999 ?-999 ? CL CL A 382 mLEU^A 132 -30.05 80.86 124.83 -29.26 81.42 125.07 -30.52 81.35 122.59 -29.40 81.86 122.39 -31.14 81.32 123.97 -31.75 82.67 124.41 3 0 15.30-999 ?-999 ?-999 ? CL CL A 382 mLYS^A 133 -31.20 80.71 121.65 -32.06 80.31 121.97 -31.66 81.44 119.41 -32.41 80.93 118.56 -30.69 80.61 120.28 -30.59 79.13 119.89 2 0 14.36-999 ?-999 ?-999 ? CL CL A 382 mALA.A 134 -31.63 82.75 119.67 -30.89 83.02 120.29 -32.06 85.14 119.19 -31.18 85.44 120.01 -32.59 83.69 119.08 -33.95 83.53 119.76 2 0 17.07-999 ?-999 ?-999 ? CL CL A 382 mGLU.A 135 -32.55 86.03 118.33 -33.27 85.68 117.73 -32.49 88.13 119.58 -31.70 88.86 120.22 -32.06 87.40 118.30 -32.62 88.15 117.08 2 0 20.88-999 ?-999 ?-999 ? CL CL A 382 mASN.A 136 -33.74 87.90 119.94 -34.21 87.20 119.41 -34.90 87.66 122.07 -35.19 86.50 121.82 -34.40 88.61 121.01 -35.51 89.43 120.39 2 0 21.80-999 ?-999 ?-999 ? CL CL A 382 mASN.A 137 -34.99 88.17 123.28 -34.89 89.17 123.30 -36.50 87.87 125.12 -36.46 88.59 126.16 -35.23 87.38 124.46 -34.02 87.53 125.36 2 0 20.93-999 ?-999 ?-999 ? CL CL A 382 mPRO.A 138 -37.64 87.53 124.50 -37.57 86.80 123.82 -39.33 87.96 126.24 -39.16 86.84 126.74 -38.89 88.21 124.82 -39.90 87.56 123.86 3 0 22.22-999 ?-999 ?-999 ? CL CL A 382 mALA.A 139 -39.87 89.01 126.86 -39.65 89.89 126.44 -41.90 88.04 127.63 -42.50 88.27 126.60 -40.71 88.88 128.05 -41.16 90.27 128.57 2 0 23.64-999 ?-999 ?-999 ? CL CL A 383 mLEU.A 140 -42.21 87.03 128.42 -41.63 86.97 129.24 -44.59 86.69 128.51 -44.65 87.54 129.42 -43.28 86.09 128.13 -43.10 84.80 128.94 3 0 20.76-999 ?-999 ?-999 ? CL CL A 383 mGLY.A 141 -45.64 86.24 127.83 -45.40 85.62 127.08 -47.55 85.73 129.24 -46.82 85.24 130.07 -47.00 86.61 128.15-999.99-999.99-999.99 1 0 21.64-999 ?-999 ?-999 ? CL CL A 383 mLYS.A 142 -48.86 85.51 129.22 -49.34 86.01 128.49 -49.55 83.20 129.66 -50.24 82.90 128.70 -49.53 84.63 130.17 -50.96 85.13 130.41 2 0 20.64-999 ?-999 ?-999 ? CL CL A 383 mILE.A 143 -48.81 82.31 130.30 -48.28 82.68 131.07 -49.41 80.03 130.98 -48.84 79.90 132.08 -48.80 80.90 129.88 -47.41 80.41 129.46 3 0 16.90-999 ?-999 ?-999 ? CL CL A 383 mASP.A 144 -50.59 79.48 130.68 -50.89 79.68 129.75 -51.05 77.22 131.29 -51.44 76.70 130.24 -51.38 78.67 131.60 -52.89 78.90 131.37 2 0 16.51-999 ?-999 ?-999 ? CL CL A 383 mILE.A 145 -50.32 76.58 132.20 -50.06 77.15 132.97 -50.76 74.29 133.05 -51.07 74.71 134.18 -49.94 75.17 132.08 -48.41 74.97 132.30 3 0 13.25-999 ?-999 ?-999 ? CL CL A 383 mGLU.A 146 -51.12 73.07 132.64 -50.81 72.85 131.72 -51.01 71.19 134.33 -49.99 70.74 133.83 -51.91 72.17 133.51 -53.01 71.44 132.72 2 0 13.25-999 ?-999 ?-999 ? CL CL A 383 mPRO.A 147 -51.40 70.86 135.59 -52.38 70.99 135.74 -49.63 69.08 136.34 -48.43 68.99 136.69 -50.44 70.37 136.63 -51.33 70.18 137.88 3 0 13.60-999 ?-999 ?-999 ? CL CL A 383 mGLY.A 148 -50.26 68.10 135.69 -51.24 68.24 135.57 -48.59 67.15 134.01 -48.08 66.20 133.42 -49.51 66.91 135.22-999.99-999.99-999.99 1 0 11.08-999 ?-999 ?-999 ? CL CL A 383 mGLU.A 149 -48.41 68.41 133.61 -48.92 69.09 134.12 -46.07 68.41 132.91 -45.68 68.57 134.11 -47.50 68.70 132.49 -47.66 70.14 131.91 2 0 8.27-999 ?-999 ?-999 ? CL CL A 383 mTHR~A 150 -45.32 67.96 131.90 -45.76 67.91 131.00 -43.22 68.84 131.96 -43.68 69.81 131.39 -43.99 67.57 132.08 -43.56 66.54 130.96 2 0 6.20-999 ?-999 ?-999 ? CL CL A 383 mVAL~A 151 -42.01 68.85 132.48 -41.77 68.04 133.00 -41.01 70.33 130.73 -41.04 71.52 130.32 -41.13 70.00 132.25 -39.75 69.78 132.91 3 0 7.71-999 ?-999 ?-999 ? CL CL A 383 mTRP~A 152 -40.86 69.26 129.92 -40.83 68.39 130.40 -41.97 70.01 127.81 -41.83 70.97 127.09 -40.75 69.36 128.47 -40.44 68.01 127.79 3 0 5.03-999 ?-999 ?-999 ? CL CL A 383 mGLN~A 153 -43.15 69.46 128.04 -43.09 68.60 128.54 -44.50 71.55 127.95 -44.87 72.37 127.11 -44.41 70.09 127.60 -45.60 69.40 128.22 2 0 5.04-999 ?-999 ?-999 ? CL CL A 383 mALA~A 154 -44.14 71.88 129.20 -43.81 71.12 129.76 -43.21 74.09 128.96 -43.47 75.25 128.62 -44.22 73.23 129.68 -43.96 73.28 131.23 2 0 8.57-999 ?-999 ?-999 ? CL CL A 383 mLEU~A 155 -42.04 73.53 128.73 -41.95 72.58 129.04 -41.36 74.54 126.59 -41.02 75.60 126.04 -41.00 74.26 128.09 -39.73 73.43 128.18 3 0 9.24-999 ?-999 ?-999 ? CL CL A 383 mTHR~A 156 -42.05 73.58 125.98 -42.28 72.81 126.57 -43.49 74.75 124.40 -43.33 75.67 123.58 -42.43 73.65 124.57 -42.94 72.28 124.07 2 0 8.45-999 ?-999 ?-999 ? CL CL A 383 mHIS~A 157 -44.51 74.70 125.25 -44.48 73.86 125.80 -44.96 77.15 125.49 -45.14 78.01 124.63 -45.56 75.74 125.39 -46.37 75.40 126.63 3 0 10.68-999 ?-999 ?-999 ? CL CL A 383 mILE~A 158 -44.17 77.36 126.52 -44.08 76.58 127.14 -42.71 79.08 125.51 -42.83 80.23 125.02 -43.51 78.62 126.73 -42.58 78.50 127.97 3 0 13.22-999 ?-999 ?-999 ? CL CL A 383 mALA~A 159 -41.85 78.18 125.04 -41.88 77.31 125.53 -41.79 78.80 122.67 -41.48 79.78 121.98 -40.97 78.44 123.91 -40.05 77.14 123.62 2 0 13.41-999 ?-999 ?-999 ? CL CL A 383 mASN~A 160 -42.85 78.03 122.44 -43.07 77.41 123.18 -44.45 79.39 121.20 -44.60 80.02 120.13 -43.61 78.10 121.22 -44.47 76.84 121.01 2 0 13.70-999 ?-999 ?-999 ? CL CL A 383 mSER~A 161 -44.87 79.85 122.40 -44.66 79.22 123.16 -44.82 82.30 121.98 -45.43 83.32 121.65 -45.55 81.13 122.60 -45.71 81.45 124.12 2 0 16.35-999 ?-999 ?-999 ? CL CL A 383 mVAL~A 162 -43.50 82.20 121.92 -43.15 81.33 122.26 -42.01 82.83 120.13 -40.96 83.37 119.76 -42.67 83.28 121.41 -41.59 83.74 122.40 3 0 18.34-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 163 -42.64 81.87 119.45 -43.47 81.55 119.90 -40.77 80.66 118.28 -39.93 80.74 117.36 -42.13 81.34 118.16-999.99-999.99-999.99 1 0 16.53-999 ?-999 ?-999 ? CL CL A 382 mLEU.A 164 -40.53 80.02 119.43 -41.27 80.08 120.09 -39.55 77.83 119.98 -40.70 77.38 119.98 -39.28 79.30 119.66 -38.43 80.00 120.74 3 0 13.35-999 ?-999 ?-999 ? CL CL A 382 mHIS^A 165 -38.48 77.06 120.18 -37.60 77.52 120.07 -37.43 75.23 121.38 -36.32 75.72 121.15 -38.62 75.66 120.53 -38.68 74.81 119.20 3 0 9.70-999 ?-999 ?-999 ? CL CL A 382 mPRO^A 166 -37.63 74.28 122.31 -38.57 73.97 122.43 -35.79 72.57 122.46 -36.43 71.73 121.83 -36.51 73.76 123.09 -37.18 73.29 124.37 3 0 7.61-999 ?-999 ?-999 ? CL CL A 382 mTRP^A 167 -34.47 72.49 122.64 -34.03 73.34 122.93 -32.51 71.19 123.25 -32.04 72.23 123.68 -33.75 71.24 122.42 -33.38 71.04 120.94 3 0 4.86-999 ?-999 ?-999 ? CL CL A 382 mLEU^A 168 -31.99 69.98 123.41 -32.60 69.23 123.17 -29.59 69.72 122.81 -29.77 69.08 121.78 -30.63 69.76 123.91 -30.53 68.45 124.73 3 0 5.97-999 ?-999 ?-999 ? CL CL A 382 mGLU.A 169 -28.48 70.39 123.10 -28.54 70.94 123.93 -26.42 69.19 122.69 -26.57 68.63 123.76 -27.30 70.35 122.29 -26.51 71.65 122.43 2 0 8.33-999 ?-999 ?-999 ? CL CL A 382 mPRO.A 170 -25.52 68.82 121.81 -25.53 69.35 120.97 -23.89 67.69 123.43 -23.74 66.61 124.03 -24.60 67.72 122.06 -23.64 67.84 120.88 3 0 10.19-999 ?-999 ?-999 ? CL CL A 382 mASP.A 171 -23.42 68.84 123.89 -23.56 69.62 123.29 -23.69 68.96 126.39 -23.22 69.18 127.47 -22.76 68.89 125.19 -21.72 70.05 125.28 2 0 12.91-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 172 -25.00 68.82 126.21 -25.29 68.73 125.25 -26.56 70.16 127.70 -27.32 70.23 128.66 -25.92 68.80 127.33-999.99-999.99-999.99 1 0 11.19-999 ?-999 ?-999 ? CL CL A 382 mTHR.A 173 -26.25 71.21 126.94 -25.55 71.01 126.25 -28.31 72.51 126.58 -28.56 71.99 125.49 -26.89 72.55 127.11 -26.11 73.64 126.32 2 0 11.63-999 ?-999 ?-999 ? CL CL A 382 mLEU^A 174 -29.25 73.03 127.37 -28.94 73.28 128.29 -30.66 74.56 126.12 -30.14 75.60 126.57 -30.60 73.22 126.94 -31.51 73.25 128.15 3 0 9.87-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 175 -31.25 74.50 124.92 -31.58 73.60 124.66 -32.88 75.93 123.99 -33.64 74.97 123.97 -31.40 75.68 124.08 -30.77 75.50 122.73 3 0 10.06-999 ?-999 ?-999 ? CL CL A 382 mVAL^A 176 -33.31 77.20 124.10 -32.66 77.81 124.56 -34.28 78.56 122.46 -33.38 79.42 122.60 -34.64 77.63 123.58 -35.61 78.24 124.60 3 0 11.21-999 ?-999 ?-999 ? CL CL A 382 mGLY^A 177 -34.88 78.33 121.31 -35.65 77.69 121.35 -35.12 78.57 118.83 -36.23 78.06 118.84 -34.43 78.99 120.11-999.99-999.99-999.99 1 0 12.19-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 178 -34.44 78.82 117.72 -33.54 79.23 117.87 -33.93 78.47 115.38 -32.73 78.57 115.69 -35.00 78.54 116.42-999.99-999.99-999.99 1 0 12.46-999 ?-999 ?-999 ? CL CL A 382 mALA.A 179 -34.37 78.31 114.14 -35.36 78.30 114.04 -32.79 79.50 112.63 -33.44 80.56 112.58 -33.44 78.17 113.04 -34.16 77.56 111.82 2 0 13.71-999 ?-999 ?-999 ? CL CL A 382 mASP.A 180 -31.52 79.41 112.24 -31.07 78.54 112.43 -30.64 80.26 110.10 -29.74 79.50 109.72 -30.86 80.51 111.58 -29.53 80.77 112.24 2 0 16.84-999 ?-999 ?-999 ? CL CL A 382 mTYR.A 181 -31.45 80.92 109.27 -32.11 81.51 109.73 -30.38 81.73 107.15 -30.31 81.77 105.92 -31.39 80.78 107.84 -32.81 80.99 107.26 3 0 19.09-999 ?-999 ?-999 ? CL CL A 384 mSER.A 182 -29.64 82.50 107.94 -29.90 82.46 108.90 -27.29 82.47 107.25 -26.51 82.72 106.34 -28.54 83.33 107.44 -28.27 84.53 108.39 2 0 19.62-999 ?-999 ?-999 ? CL CL A 384 mSER.A 183 -27.13 81.43 108.07 -27.85 81.35 108.75 -25.95 79.83 106.57 -26.91 79.17 106.17 -26.00 80.50 107.95 -26.09 79.43 109.05 2 0 16.40-999 ?-999 ?-999 ? CL CL A 384 mPRO.A 184 -24.82 80.00 105.83 -24.11 80.57 106.25 -24.77 77.87 104.56 -24.35 77.26 105.54 -24.68 79.39 104.51 -23.27 79.84 104.06 3 0 13.96-999 ?-999 ?-999 ? CL CL A 384 mPRO.A 185 -25.32 77.25 103.51 -25.64 77.83 102.76 -24.05 75.16 103.80 -23.07 75.70 103.32 -25.42 75.78 103.55 -25.95 75.42 102.16 3 0 10.78-999 ?-999 ?-999 ? CL CL A 384 mVAL.A 186 -23.96 74.03 104.50 -24.84 73.60 104.71 -22.12 72.54 103.91 -20.95 72.18 104.01 -22.66 73.50 104.90 -22.68 72.78 106.26 3 0 8.09-999 ?-999 ?-999 ? CL CL A 384 mALA^A 187 -22.97 72.12 102.98 -23.85 72.60 102.97 -23.63 71.14 100.88 -24.73 71.67 101.02 -22.66 71.07 102.05 -22.76 69.71 102.75 2 0 5.18-999 ?-999 ?-999 ? CL CL A 384 mTHR^A 188 -23.17 70.64 99.74 -22.19 70.46 99.76 -23.92 68.86 98.32 -22.84 68.26 98.10 -23.96 70.36 98.57 -23.46 71.08 97.35 2 0 6.18-999 ?-999 ?-999 ? CL CL A 384 mLEU^A 189 -25.09 68.25 98.38 -25.86 68.84 98.62 -25.93 66.67 96.77 -26.82 67.43 96.44 -25.22 66.83 98.11 -25.99 66.17 99.20 3 0 6.02-999 ?-999 ?-999 ? CL CL A 384 mCSS^A 190 -25.52 65.68 96.00 -24.78 65.13 96.38 -26.33 63.98 94.41 -25.66 63.11 94.98 -26.13 65.46 94.70 -25.36 66.19 93.56 2 0 9.10-999 ?-999 ?-999 ? CL CL A 384 mTRP^A 191 -27.33 63.73 93.58 -27.80 64.56 93.27 -27.39 62.25 91.70 -27.76 63.09 90.89 -27.72 62.40 93.16 -29.23 62.18 93.30 3 0 11.94-999 ?-999 ?-999 ? CL CL A 384 mSER.A 192 -26.71 61.16 91.36 -26.38 60.62 92.13 -26.18 59.32 89.75 -25.38 58.73 90.47 -26.48 60.82 89.96 -25.34 61.66 89.38 2 0 14.36-999 ?-999 ?-999 ? CL CL A 384 mARG.A 193 -26.82 58.72 88.75 -27.50 59.30 88.29 -25.31 57.20 87.47 -24.90 56.09 87.14 -26.53 57.34 88.36 -27.74 56.73 87.66 2 0 16.89-999 ?-999 ?-999 ? CL CL B 382 mTHR.A 194 -24.74 58.32 87.05 -25.20 59.16 87.35 -22.39 59.20 86.75 -21.22 58.94 86.46 -23.53 58.32 86.21 -23.85 58.73 84.75 2 0 14.98-999 ?-999 ?-999 ? CL CL B 382 mASP.A 195 -22.72 60.23 87.52 -23.70 60.39 87.63 -21.24 60.45 89.50 -22.00 60.43 90.49 -21.68 61.06 88.14 -22.13 62.52 88.27 2 0 14.65-999 ?-999 ?-999 ? CL CL A 384 mSER.A 196 -20.00 59.93 89.50 -19.54 60.00 88.62 -19.04 60.34 91.79 -18.82 59.97 92.95 -19.39 59.32 90.69 -18.11 58.55 90.29 2 0 13.16-999 ?-999 ?-999 ? CL CL A 384 mARG.A 197 -18.95 61.62 91.40 -19.05 61.77 90.42 -20.03 62.84 93.27 -19.96 63.36 94.40 -18.74 62.69 92.36 -18.34 64.00 91.62 2 0 10.22-999 ?-999 ?-999 ? CL CL A 384 mCSS.A 198 -21.17 62.35 92.79 -21.09 61.92 91.88 -22.54 61.26 94.46 -22.40 60.10 94.13 -22.42 62.42 93.51 -23.62 62.48 92.60 2 0 9.34-999 ?-999 ?-999 ? CL CL A 384 mASN.A 199 -22.88 61.63 95.65 -23.37 62.50 95.67 -23.87 60.39 97.58 -23.79 59.61 98.51 -22.60 60.88 96.83 -21.75 61.84 97.70 2 0 7.69-999 ?-999 ?-999 ? CL CL A 384 mILE.A 200 -25.04 60.87 97.19 -24.97 61.55 96.45 -26.50 58.93 97.48 -26.46 58.55 96.32 -26.31 60.42 97.81 -27.51 61.27 97.30 3 0 9.25-999 ?-999 ?-999 ? CL CL A 384 mGLU.A 201 -26.66 58.11 98.51 -26.60 58.57 99.40 -28.40 56.30 98.22 -28.75 55.35 97.53 -26.91 56.68 98.37 -26.37 55.94 99.57 2 0 12.15-999 ?-999 ?-999 ? CL CL A 384 mARG^A 202 -29.26 57.12 98.81 -28.87 57.94 99.24 -31.38 58.22 99.07 -30.94 59.10 99.86 -30.65 56.87 98.84 -30.81 55.75 99.87 2 0 14.26-999 ?-999 ?-999 ? CL CL A 384 mMET^A 203 -32.41 58.44 98.27 -32.57 57.70 97.61 -34.71 59.22 98.44 -35.17 58.43 97.60 -33.24 59.65 98.34 -33.00 60.51 97.10 2 0 14.86-999 ?-999 ?-999 ? CL CL A 384 mASP^A 204 -35.40 59.62 99.52 -34.84 60.12 100.19 -37.60 60.67 99.92 -37.24 61.46 100.78 -36.83 59.36 99.71 -37.06 58.40 100.88 2 0 17.95-999 ?-999 ?-999 ? CL CL A 384 mILE^A 205 -38.60 60.92 99.10 -38.72 60.23 98.38 -40.88 61.64 99.57 -41.40 60.68 99.00 -39.44 62.08 99.23 -39.43 62.92 97.96 3 0 19.64-999 ?-999 ?-999 ? CL CL A 384 mGLU^A 206 -41.47 62.33 100.54 -40.88 63.02 100.97 -43.62 63.39 101.00 -43.21 64.38 101.63 -42.83 62.12 100.96 -42.89 61.56 102.36 2 0 21.81-999 ?-999 ?-999 ? CL CL A 382 mTRP^A 207 -44.78 63.33 100.36 -44.95 62.49 99.86 -47.02 63.84 100.99 -47.50 62.75 100.63 -45.73 64.40 100.39 -46.09 64.85 99.00 3 0 23.20-999 ?-999 ?-999 ? CL CL A 382 mASP.A 208 -47.60 64.64 101.86 -47.17 65.54 101.93 -49.69 65.46 102.74 -49.26 66.52 103.13 -48.76 64.25 102.63 -48.25 63.81 104.00 2 0 23.01-999 ?-999 ?-999 ? CL CL A 382 mTHR.A 209 -50.95 65.28 102.41 -51.17 64.34 102.14 -52.92 66.29 103.61 -53.95 66.95 103.63 -51.92 66.37 102.43 -52.67 66.38 101.10 2 0 25.09-999 ?-999 ?-999 ? CL CL A 382 mASP.A 210 -52.59 65.49 104.61 -51.73 65.00 104.47 -53.93 66.65 106.42 -55.10 66.78 106.81 -53.43 65.34 105.80 -52.58 64.68 106.89 2 0 23.03-999 ?-999 ?-999 ? CL CL A 383 mASN.A 211 -53.00 67.57 106.61 -52.12 67.35 106.19 -53.15 69.98 106.45 -52.72 71.05 106.85 -53.23 68.77 107.36 -52.26 68.83 108.54 2 0 21.81-999 ?-999 ?-999 ? CL CL A 383 mARG.A 212 -53.57 69.78 105.21 -53.80 68.83 104.99 -55.19 71.17 104.14 -55.99 70.43 103.54 -53.70 70.85 104.25 -53.13 70.44 102.90 2 0 25.13-999 ?-999 ?-999 ? CL CL A 383 mPHE.A 213 -55.56 72.29 104.74 -54.81 72.85 105.10 -57.26 73.80 103.90 -56.36 74.54 103.47 -56.93 72.67 104.87 -57.19 73.05 106.32 3 0 26.59-999 ?-999 ?-999 ? CL CL A 383 mSER.A 214 -58.54 73.88 103.53 -59.14 73.21 103.97 -59.21 76.25 103.22 -58.68 77.26 102.73 -59.02 74.87 102.57 -60.33 74.38 101.92 2 0 30.17-999 ?-999 ?-999 ? CL CL A 383 mGLU^A 215 -59.99 76.30 104.30 -60.51 75.46 104.47 -59.82 76.97 106.56 -60.22 75.86 106.92 -60.08 77.46 105.15 -61.48 78.11 105.12 2 0 29.75-999 ?-999 ?-999 ? CL CL A 383 mVAL^A 216 -59.17 77.79 107.38 -58.83 78.63 106.96 -59.41 78.67 109.58 -58.87 79.75 109.39 -59.01 77.46 108.79 -57.57 77.01 109.14 3 0 26.62-999 ?-999 ?-999 ? CL CL A 383 mTHR^A 217 -60.39 78.49 110.44 -60.76 77.56 110.49 -60.24 79.41 112.63 -60.40 78.38 113.28 -60.85 79.57 111.25 -62.41 79.64 111.20 2 0 27.31-999 ?-999 ?-999 ? CL CL A 383 mPHE^A 218 -59.47 80.43 113.04 -59.41 81.17 112.37 -59.60 81.35 115.28 -59.99 82.48 114.90 -58.80 80.46 114.33 -57.36 80.98 114.18 3 0 24.89-999 ?-999 ?-999 ? CL CL A 383 mLEU^A 219 -59.84 80.84 116.50 -59.40 79.96 116.66 -59.90 81.74 118.77 -59.09 80.89 119.17 -60.67 81.54 117.49 -61.95 80.75 117.82 3 0 25.48-999 ?-999 ?-999 ? CL CL A 383 mALA^A 220 -60.13 82.88 119.41 -60.67 83.54 118.90 -60.51 84.08 121.52 -61.30 84.83 120.92 -59.62 83.10 120.76 -58.13 83.57 120.73 2 0 24.88-999 ?-999 ?-999 ? CL CL A 383 mGLN.A 221 -60.42 84.01 122.83 -59.78 83.33 123.17 -60.22 85.89 124.32 -59.16 85.50 124.84 -61.19 84.88 123.70 -61.91 84.04 124.75 2 0 26.75-999 ?-999 ?-999 ? CL CL A 383 mSER.A 222 -60.58 87.18 124.24 -61.46 87.30 123.78 -59.51 88.32 126.28 -60.18 87.63 127.06 -59.78 88.32 124.78 -60.47 89.66 124.48 2 0 28.41-999 ?-999 ?-999 ? CL CL A 383 mHIS.A 223 -58.53 89.14 126.68 -57.99 89.50 125.92 -59.55 90.05 128.75 -59.88 89.68 129.87 -58.29 89.48 128.08 -57.13 90.47 128.17 3 0 28.54-999 ?-999 ?-999 ? CL CL A 383 mGLY.A 224 -60.26 90.93 128.05 -59.89 91.16 127.16 -62.38 92.14 127.56 -63.03 93.14 127.83 -61.49 91.50 128.60-999.99-999.99-999.99 1 0 32.04-999 ?-999 ?-999 ? CL CL A 383 mHIS.A 232 -66.04 83.73 121.90 -66.88 83.61 122.43 -64.86 85.20 120.31 -65.36 85.22 119.17 -64.80 83.90 121.12 -64.52 82.68 120.21 3 0 29.03-999 ?-999 ?-999 ? CL CL A 383 mASP.A 233 -64.35 86.27 120.91 -63.95 86.09 121.81 -63.20 87.82 119.30 -63.26 88.73 118.46 -64.37 87.61 120.27 -64.45 88.75 121.31 2 0 31.38-999 ?-999 ?-999 ? CL CL A 383 mLEU^A 234 -62.16 87.00 119.39 -62.24 86.33 120.14 -61.10 85.95 117.43 -61.35 84.79 117.74 -61.01 87.06 118.49 -59.69 86.94 119.25 3 0 29.22-999 ?-999 ?-999 ? CL CL A 383 mLYS^A 235 -60.83 86.35 116.20 -60.40 87.24 116.13 -60.28 86.07 113.89 -60.26 87.28 113.59 -61.15 85.56 115.05 -62.65 85.63 114.71 2 0 29.35-999 ?-999 ?-999 ? CL CL A 383 mTRP^A 236 -59.54 85.12 113.31 -59.57 84.24 113.78 -58.94 84.08 111.24 -58.73 82.97 111.71 -58.76 85.33 112.09 -57.28 85.53 112.44 3 0 29.11-999 ?-999 ?-999 ? CL CL A 383 mVAL^A 237 -59.29 84.25 109.97 -59.45 85.20 109.70 -58.44 83.14 107.92 -58.19 84.19 107.32 -59.42 83.09 109.08 -60.90 82.85 108.60 3 0 29.65-999 ?-999 ?-999 ? CL CL A 383 mTYR^A 238 -57.87 81.97 107.65 -58.20 81.22 108.23 -57.58 81.03 105.52 -58.47 80.23 105.77 -56.88 81.78 106.65 -55.72 80.94 107.24 3 0 29.12-999 ?-999 ?-999 ? CL CL A 383 mLYS^A 239 -57.20 81.33 104.28 -56.56 82.10 104.24 -56.47 80.45 102.13 -55.68 81.37 102.00 -57.66 80.60 103.08 -58.82 81.35 102.38 2 0 31.40-999 ?-999 ?-999 ? CL CL A 383 mASP.A 240 -56.31 79.30 101.49 -56.80 78.52 101.89 -56.38 79.12 99.08 -57.13 78.13 98.97 -55.46 79.25 100.28 -54.36 78.15 100.29 2 0 31.65-999 ?-999 ?-999 ? CL CL A 382 mPRO.A 241 -56.40 80.15 98.20 -55.82 80.94 98.40 -56.84 78.92 96.04 -57.54 78.74 95.04 -57.25 80.02 97.03 -57.19 81.43 96.39 3 0 35.24-999 ?-999 ?-999 ? CL CL A 382 mTHR.A 242 -55.75 78.19 96.30 -55.24 78.50 97.10 -55.99 75.68 95.89 -55.89 74.70 95.15 -55.37 77.04 95.46 -53.84 76.89 95.36 2 0 34.16-999 ?-999 ?-999 ? CL CL A 382 mMET.A 243 -56.60 75.63 97.08 -56.43 76.44 97.63 -58.83 74.58 96.88 -59.60 75.50 97.19 -57.44 74.49 97.52 -57.61 74.49 99.07 2 0 33.35-999 ?-999 ?-999 ? CL CL A 382 mTHR.A 244 -59.17 73.62 96.01 -58.42 73.01 95.75 -61.43 72.69 96.45 -62.62 73.00 96.63 -60.54 73.51 95.50 -60.60 72.91 94.09 2 0 36.38-999 ?-999 ?-999 ? CL CL A 383 mLEU.A 245 -60.85 71.66 97.07 -59.87 71.59 96.88 -62.01 71.40 99.24 -61.23 72.10 99.88 -61.58 70.74 97.94 -60.73 69.50 98.26 3 0 34.35-999 ?-999 ?-999 ? CL CL A 383 mHIS.A 246 -63.25 71.18 99.63 -63.79 70.65 98.98 -63.22 70.86 102.07 -63.57 69.71 102.27 -63.78 71.66 100.89 -65.31 71.58 100.88 3 0 33.43-999 ?-999 ?-999 ? CL CL A 383 mARG.A 247 -62.37 71.50 102.87 -62.19 72.45 102.61 -61.53 71.86 105.14 -60.38 72.23 105.42 -61.77 70.85 104.02 -60.48 70.14 103.57 2 0 29.65-999 ?-999 ?-999 ? CL CL A 383 mPRO.A 248 -62.62 72.36 105.76 -63.48 71.95 105.46 -62.19 72.89 108.15 -62.53 71.78 108.55 -62.56 73.39 106.77 -64.00 73.92 106.82 3 0 28.78-999 ?-999 ?-999 ? CL CL A 383 mLYS^A 249 -61.49 73.73 108.89 -61.28 74.60 108.46 -61.26 74.59 111.09 -61.12 75.72 110.62 -61.09 73.36 110.22 -59.63 72.83 110.25 2 0 25.48-999 ?-999 ?-999 ? CL CL A 383 mTHR^A 250 -61.60 74.37 112.34 -61.78 73.42 112.59 -60.78 75.08 114.40 -60.85 73.95 114.87 -61.67 75.47 113.25 -63.13 75.80 113.69 2 0 24.90-999 ?-999 ?-999 ? CL CL A 383 mVAL^A 251 -59.94 76.01 114.85 -60.01 76.89 114.37 -59.16 76.86 117.03 -59.19 78.05 116.70 -58.99 75.77 115.94 -57.52 75.74 115.40 3 0 21.68-999 ?-999 ?-999 ? CL CL A 383 mVAL^A 252 -59.25 76.46 118.30 -59.36 75.47 118.42 -57.76 77.57 119.88 -57.10 76.60 120.21 -59.21 77.41 119.40 -60.16 77.03 120.60 3 0 21.30-999 ?-999 ?-999 ? CL CL A 383 mVAL.A 253 -57.30 78.82 119.91 -57.96 79.50 119.59 -56.01 79.81 121.75 -56.75 80.79 121.96 -55.95 79.17 120.35 -55.30 80.19 119.37 3 0 19.80-999 ?-999 ?-999 ? CL CL A 383 mSER.A 254 -55.22 79.28 122.69 -54.76 78.44 122.40 -53.67 80.50 124.19 -53.51 81.72 124.35 -55.07 79.89 124.03 -55.34 78.86 125.13 2 0 18.98-999 ?-999 ?-999 ? CL CL A 383 mASP.A 257 -54.46 87.05 123.03 -53.77 86.47 122.60 -55.75 89.18 122.86 -56.28 90.17 123.39 -55.47 87.91 123.65 -55.05 88.25 125.09 2 0 25.84-999 ?-999 ?-999 ? CL CL A 383 mASN~A 258 -55.41 89.14 121.58 -55.01 88.27 121.32 -55.40 89.70 119.22 -54.78 88.64 119.07 -55.61 90.26 120.64 -54.65 91.43 120.94 2 0 28.42-999 ?-999 ?-999 ? CL CL A 383 mLEU~A 259 -55.92 90.39 118.20 -56.38 91.24 118.48 -54.35 89.69 116.38 -54.10 88.87 115.50 -55.81 89.92 116.81 -56.50 90.88 115.82 3 0 29.24-999 ?-999 ?-999 ? CL CL A 383 mALA~A 260 -53.42 90.42 117.00 -53.80 91.09 117.64 -51.43 88.92 117.33 -50.72 88.19 116.62 -51.98 90.24 116.77 -51.20 91.41 117.38 2 0 28.07-999 ?-999 ?-999 ? CL CL A 383 mALA~A 261 -51.74 88.62 118.59 -52.28 89.31 119.06 -52.02 86.15 118.61 -51.42 85.06 118.50 -51.30 87.37 119.20 -51.49 87.39 120.67 2 0 24.52-999 ?-999 ?-999 ? CL CL A 383 mLEU~A 262 -53.30 86.31 118.24 -53.68 87.21 118.44 -53.42 84.87 116.25 -53.18 83.70 115.95 -54.04 85.21 117.60 -55.55 85.54 117.42 3 0 24.28-999 ?-999 ?-999 ? CL CL A 383 mGLN~A 263 -53.13 85.90 115.46 -53.37 86.78 115.87 -51.10 85.19 114.15 -50.78 84.31 113.33 -52.52 85.77 114.13 -52.54 87.13 113.42 2 0 25.57-999 ?-999 ?-999 ? CL CL A 383 mLYS~A 264 -50.26 85.67 115.07 -50.63 86.44 115.58 -48.98 83.56 115.54 -48.24 82.78 114.93 -48.92 85.08 115.29 -48.23 85.77 116.47 2 0 23.32-999 ?-999 ?-999 ? CL CL A 383 mGLN~A 265 -49.84 83.14 116.45 -50.43 83.85 116.84 -50.56 80.80 115.78 -50.18 79.61 115.65 -49.88 81.71 116.80 -50.58 81.55 118.13 2 0 20.09-999 ?-999 ?-999 ? CL CL A 383 mALA~A 266 -51.57 81.35 115.09 -51.81 82.27 115.38 -51.27 80.37 112.93 -51.24 79.29 112.38 -52.27 80.65 114.02 -53.41 81.50 113.45 2 0 21.67-999 ?-999 ?-999 ? CL CL A 383 mLYS~A 267 -50.45 81.37 112.63 -50.60 82.19 113.18 -48.36 80.26 111.95 -47.86 79.55 111.07 -49.43 81.28 111.60 -48.82 82.65 111.29 2 0 22.56-999 ?-999 ?-999 ? CL CL A 382 mLYS~A 268 -48.03 80.14 113.23 -48.46 80.80 113.86 -47.76 77.74 113.40 -47.09 76.86 112.87 -47.11 79.10 113.63 -46.60 79.21 115.08 2 0 18.85-999 ?-999 ?-999 ? CL CL A 382 mGLN~A 269 -49.03 77.57 113.78 -49.43 78.33 114.29 -49.75 76.00 111.92 -49.61 74.84 111.52 -49.73 76.31 113.44 -51.17 76.30 113.97 2 0 18.18-999 ?-999 ?-999 ? CL CL A 383 mLEU~A 270 -49.97 77.02 111.09 -50.10 77.91 111.53 -48.63 76.36 109.19 -48.55 75.56 108.30 -50.00 76.80 109.65 -50.44 78.04 108.85 3 0 21.34-999 ?-999 ?-999 ? CL CL A 382 mALA~A 271 -47.56 76.85 109.82 -47.77 77.45 110.59 -45.84 75.11 109.83 -45.18 74.34 109.11 -46.19 76.51 109.39 -45.19 77.53 109.91 2 0 18.80-999 ?-999 ?-999 ? CL CL A 382 mASP~A 272 -46.32 74.74 111.01 -46.81 75.45 111.51 -46.81 72.38 110.57 -46.24 71.36 110.23 -46.13 73.39 111.49 -46.67 73.24 112.92 2 0 16.08-999 ?-999 ?-999 ? CL CL A 382 mTRP~A 273 -48.04 72.68 110.16 -48.41 73.53 110.52 -48.03 71.72 107.89 -47.93 70.64 107.27 -48.75 71.81 109.24 -50.17 72.29 109.05 3 0 18.80-999 ?-999 ?-999 ? CL CL A 382 mARG~A 274 -47.51 72.86 107.43 -47.62 73.65 108.04 -45.59 72.04 106.16 -45.27 71.39 105.22 -46.85 72.91 106.14 -46.53 74.37 105.81 2 0 19.90-999 ?-999 ?-999 ? CL CL A 382 mLEU~A 275 -44.85 72.07 107.25 -45.17 72.72 107.93 -44.01 69.74 107.40 -43.26 68.91 106.82 -43.67 71.21 107.42 -42.94 71.56 108.70 3 0 16.59-999 ?-999 ?-999 ? CL CL A 382 mGLU~A 276 -45.12 69.38 108.05 -45.60 70.13 108.50 -45.88 67.42 106.71 -45.86 66.21 106.53 -45.57 67.98 108.08 -46.84 67.83 108.93 2 0 16.68-999 ?-999 ?-999 ? CL CL A 382 mGLY~A 277 -46.20 68.29 105.76 -46.14 69.25 106.04 -45.50 67.46 103.52 -45.79 66.85 102.49 -46.60 67.89 104.45-999.99-999.99-999.99 1 0 20.14-999 ?-999 ?-999 ? CL CL A 382 mPHE^A 278 -44.23 67.73 103.86 -44.11 68.16 104.76 -41.90 66.98 103.74 -41.51 67.68 104.66 -43.13 67.39 102.94 -42.81 68.56 101.98 3 0 19.62-999 ?-999 ?-999 ? CL CL A 382 mTHR^A 279 -41.32 65.84 103.37 -41.84 65.32 102.69 -39.16 64.85 102.83 -39.62 64.05 102.02 -40.03 65.40 103.95 -40.20 64.28 105.04 2 0 17.58-999 ?-999 ?-999 ? CL CL A 382 mLEU^A 280 -37.91 65.30 102.80 -37.76 66.06 103.42 -35.87 64.05 102.88 -35.27 64.69 103.73 -36.85 64.75 101.96 -36.16 65.89 101.22 3 0 16.49-999 ?-999 ?-999 ? CL CL A 384 mTHR^A 281 -35.77 62.73 102.76 -36.41 62.36 102.09 -33.68 61.43 102.67 -33.87 60.66 101.71 -34.83 61.90 103.55 -35.56 60.70 104.25 2 0 15.18-999 ?-999 ?-999 ? CL CL A 384 mILE^A 282 -32.48 61.95 102.93 -32.46 62.62 103.67 -30.39 60.67 103.03 -30.10 60.97 104.18 -31.29 61.54 102.18 -30.54 62.79 101.68 3 0 11.90-999 ?-999 ?-999 ? CL CL A 384 mTHR^A 283 -29.92 59.57 102.46 -30.29 59.36 101.55 -27.55 58.92 102.41 -27.49 58.85 101.16 -28.94 58.76 103.11 -29.41 57.28 103.14 2 0 11.51-999 ?-999 ?-999 ? CL CL A 384 mVAL^A 284 -26.51 59.18 103.23 -26.78 59.23 104.19 -24.22 58.42 103.54 -24.54 57.92 104.60 -25.13 59.37 102.82 -24.60 60.83 102.93 3 0 8.51-999 ?-999 ?-999 ? CL CL A 384 mGLY^A 285 -23.07 58.12 102.93 -22.94 58.52 102.02 -21.32 58.19 104.54 -21.21 59.35 104.27 -22.09 57.26 103.59-999.99-999.99-999.99 1 0 9.46-999 ?-999 ?-999 ? CL CL A 384 mGLY.A 286 -20.77 57.65 105.61 -20.90 56.66 105.66 -20.99 59.23 107.57 -22.23 59.07 107.51 -20.05 58.49 106.62-999.99-999.99-999.99 1 0 9.30-999 ?-999 ?-999 ? CL CL A 384 mHIS.A 287 -20.36 60.04 108.42 -19.37 60.02 108.32 -20.61 62.38 109.31 -21.17 63.19 110.03 -20.98 60.89 109.40 -20.65 60.39 110.79 3 0 9.45-999 ?-999 ?-999 ? CL CL A 384 mLYS.A 288 -19.69 62.72 108.40 -19.38 61.95 107.84 -19.34 64.60 106.84 -19.27 63.84 105.91 -19.18 64.09 108.25 -17.71 64.15 108.58 2 0 7.02-999 ?-999 ?-999 ? CL CL A 384 mTHR.A 289 -19.58 65.88 106.71 -19.90 66.33 107.54 -17.91 66.47 104.98 -17.00 66.19 105.74 -19.38 66.54 105.44 -19.71 68.01 105.52 2 0 3.86-999 ?-999 ?-999 ? CL CL A 384 mARG.A 290 -17.71 66.78 103.71 -18.55 66.95 103.19 -15.43 67.80 103.92 -14.23 67.57 103.97 -16.38 66.87 103.14 -16.45 67.34 101.67 2 0 -4.33-999 ?-999 ?-999 ? CL CL A 384s mASP.A 291 -15.95 68.85 104.52 -16.93 68.96 104.37 -15.16 69.42 106.82 -14.83 70.24 107.67 -15.12 69.74 105.33 -15.45 71.21 105.07 2 0 7.24-999 ?-999 ?-999 ? CL CL A 384 mGLY.A 292 -15.51 68.18 107.14 -15.95 67.67 106.40 -16.27 67.97 109.50 -16.00 67.78 110.68 -15.25 67.65 108.46-999.99-999.99-999.99 1 0 8.59-999 ?-999 ?-999 ? CL CL A 384 mVAL.A 293 -17.46 68.41 109.08 -17.53 68.44 108.08 -19.47 67.56 110.24 -19.98 67.00 109.26 -18.54 68.79 110.04 -19.33 70.05 109.55 3 0 8.85-999 ?-999 ?-999 ? CL CL A 384 mLEU.A 294 -19.63 67.14 111.49 -19.00 67.56 112.14 -22.04 66.65 111.54 -22.42 67.70 111.94 -20.63 66.17 111.87 -20.50 65.83 113.35 3 0 10.14-999 ?-999 ?-999 ? CL CL A 384 mTRP.A 295 -22.80 65.84 110.79 -22.33 65.02 110.45 -24.93 66.34 111.82 -24.75 65.57 112.74 -24.19 66.15 110.48 -24.85 65.03 109.66 3 0 9.52-999 ?-999 ?-999 ? CL CL A 384 mGLN.A 296 -25.73 67.38 111.88 -25.84 67.85 111.00 -27.59 68.64 112.71 -27.49 69.52 111.83 -26.39 67.81 113.10 -25.42 68.68 113.91 2 0 11.21-999 ?-999 ?-999 ? CL CL A 382 mPRO.A 297 -28.74 68.43 113.40 -28.73 67.70 114.09 -29.57 70.77 113.18 -28.84 71.12 114.09 -29.90 69.30 113.06 -30.95 68.86 114.09 3 0 9.27-999 ?-999 ?-999 ? CL CL A 382 mGLY.A 298 -30.14 71.63 112.29 -30.76 71.22 111.63 -28.97 73.52 111.18 -28.94 74.70 110.85 -29.84 73.06 112.32-999.99-999.99-999.99 1 0 11.45-999 ?-999 ?-999 ? CL CL A 382 mLEU.A 299 -28.29 72.57 110.54 -28.31 71.69 111.02 -28.52 72.93 108.07 -29.65 72.41 108.07 -27.58 72.79 109.28 -26.58 71.67 109.01 3 0 12.20-999 ?-999 ?-999 ? CL CL A 384 mARG^A 300 -28.08 73.68 107.08 -27.22 74.16 107.29 -27.93 73.10 104.76 -26.71 73.13 104.85 -28.79 73.79 105.80 -29.09 75.24 105.46 2 0 11.88-999 ?-999 ?-999 ? CL CL A 384 mVAL^A 301 -28.60 72.38 103.84 -29.59 72.50 103.87 -28.51 71.84 101.49 -29.74 71.87 101.25 -27.97 71.52 102.89 -28.17 69.99 103.24 3 0 9.18-999 ?-999 ?-999 ? CL CL A 384 mHIS^A 302 -27.59 72.16 100.58 -26.66 72.26 100.93 -28.04 70.99 98.53 -27.10 70.17 98.59 -27.95 72.35 99.19 -26.91 73.26 98.51 3 0 9.92-999 ?-999 ?-999 ? CL CL A 384 mVAL^A 303 -29.19 70.68 97.94 -29.88 71.41 98.00 -29.62 69.54 95.78 -30.44 70.37 95.36 -29.39 69.38 97.27 -30.60 68.59 97.89 3 0 10.44-999 ?-999 ?-999 ? CL CL A 384 mILE^A 304 -28.88 68.75 94.98 -28.19 68.21 95.47 -29.43 67.27 93.05 -28.72 66.29 93.32 -29.08 68.69 93.53 -27.88 69.28 92.71 3 0 12.14-999 ?-999 ?-999 ? CL CL A 384 mASP^A 305 -30.55 67.18 92.36 -31.10 68.01 92.37 -31.40 66.36 90.29 -32.54 66.76 90.14 -30.91 65.94 91.67 -32.01 65.22 92.45 2 0 14.53-999 ?-999 ?-999 ? CL CL A 384 mASP.A 306 -30.50 66.29 89.31 -29.59 66.01 89.61 -31.98 65.74 87.36 -32.88 66.25 86.72 -30.86 66.62 87.92 -29.63 66.56 87.01 2 0 17.31-999 ?-999 ?-999 ? CL CL A 384 mGLU.A 307 -31.93 64.44 87.63 -31.10 64.16 88.11 -34.39 64.04 87.63 -35.30 64.10 86.83 -33.02 63.51 87.21 -32.85 62.11 87.82 2 0 19.16-999 ?-999 ?-999 ? CL CL B 382 mHIS.A 308 -34.51 64.43 88.89 -33.64 64.39 89.39 -36.06 66.40 89.26 -37.13 66.89 89.57 -35.77 64.89 89.47 -35.69 64.61 90.98 3 0 19.69-999 ?-999 ?-999 ? CL CL A 384 mGLY.A 309 -35.08 67.15 88.79 -34.26 66.66 88.51 -35.14 69.32 90.01 -35.64 70.42 90.14 -35.24 68.60 88.70-999.99-999.99-999.99 1 0 19.85-999 ?-999 ?-999 ? CL CL A 384 mILE^A 310 -34.51 68.74 91.03 -34.21 67.80 90.85 -32.95 70.21 92.30 -31.93 69.64 91.96 -34.29 69.47 92.29 -34.33 68.55 93.53 3 0 17.05-999 ?-999 ?-999 ? CL CL A 384 mASP^A 311 -32.98 71.46 92.69 -33.91 71.82 92.77 -32.23 73.31 93.97 -32.73 74.34 93.56 -31.78 72.23 92.99 -31.19 72.86 91.72 2 0 15.47-999 ?-999 ?-999 ? CL CL A 384 mALA^A 312 -32.08 73.04 95.27 -31.58 72.19 95.44 -31.88 73.63 97.64 -31.14 72.64 97.77 -32.59 73.91 96.33 -34.10 73.68 96.50 2 0 15.28-999 ?-999 ?-999 ? CL CL A 384 mVAL^A 313 -32.08 74.52 98.58 -32.65 75.30 98.30 -32.70 73.93 100.82 -33.87 74.37 100.69 -31.54 74.40 99.91 -30.95 75.74 100.46 3 0 13.81-999 ?-999 ?-999 ? CL CL A 384 mPHE^A 314 -32.34 72.99 101.69 -31.38 72.73 101.60 -32.58 72.53 104.06 -31.35 72.65 104.21 -33.21 72.40 102.67 -33.50 70.93 102.34 3 0 14.15-999 ?-999 ?-999 ? CL CL A 384 mPHE^A 315 -33.47 72.51 105.04 -34.41 72.40 104.71 -33.19 71.27 107.15 -34.15 70.48 107.02 -33.16 72.64 106.46 -34.17 73.54 107.12 3 0 14.94-999 ?-999 ?-999 ? CL CL A 384 mLEU^A 316 -32.09 70.95 107.82 -31.41 71.68 107.84 -32.58 69.63 109.84 -32.13 70.25 110.77 -31.93 69.67 108.46 -30.45 69.26 108.51 3 0 12.79-999 ?-999 ?-999 ? CL CL A 382 mMET^A 317 -33.63 68.85 109.95 -33.76 68.25 109.16 -34.21 67.70 112.03 -34.48 67.72 113.21 -34.51 68.89 111.14 -35.99 68.87 110.64 2 0 9.70-999 ?-999 ?-999 ? CL CL A 382 mGLY^A 318 -33.70 66.64 111.43 -33.55 66.78 110.45 -32.27 64.64 111.41 -32.06 64.78 110.20 -33.39 65.39 112.09-999.99-999.99-999.99 1 0 8.74-999 ?-999 ?-999 ? CL CL A 382 mARG^A 319 -31.49 63.91 112.20 -31.68 63.95 113.18 -30.09 61.92 112.48 -30.09 61.95 113.70 -30.44 63.13 111.66 -29.19 63.97 111.33 2 0 10.57-999 ?-999 ?-999 ? CL CL A 382 mARG^A 320 -29.77 60.85 111.77 -29.76 61.00 110.78 -28.14 59.03 111.88 -28.01 58.70 110.71 -29.46 59.57 112.39 -30.67 58.67 112.13 2 0 12.13-999 ?-999 ?-999 ? CL CL A 382 mPHE^A 321 -27.15 58.97 112.78 -27.34 59.50 113.61 -26.19 56.74 112.78 -26.78 56.30 113.78 -25.92 58.24 112.60 -24.81 58.65 113.61 3 0 14.63-999 ?-999 ?-999 ? CL CL A 382 mMET^A 322 -25.77 55.97 111.80 -25.25 56.45 111.10 -24.77 53.76 111.37 -23.95 54.19 110.58 -26.04 54.57 111.72 -27.10 54.31 110.64 2 0 16.46-999 ?-999 ?-999 ? CL CL A 384 mLEU^A 323 -24.64 52.60 111.99 -25.25 52.52 112.77 -24.49 50.26 111.52 -25.21 49.95 112.46 -23.70 51.56 111.58 -22.58 51.36 112.63 3 0 18.10-999 ?-999 ?-999 ? CL CL A 384 mSER^A 324 -24.31 49.52 110.44 -23.82 49.99 109.71 -23.72 47.31 109.64 -22.86 47.82 108.90 -24.77 48.15 110.31 -26.07 48.05 109.50 2 0 20.62-999 ?-999 ?-999 ? CL CL A 384 mARG.A 325 -23.82 45.99 109.84 -24.51 45.72 110.51 -23.24 45.13 107.63 -22.33 45.21 106.84 -22.96 45.06 109.11 -23.11 43.63 109.65 2 0 22.71-999 ?-999 ?-999 ? CL CL A 384 mMET.A 326 -24.50 45.25 107.25 -25.15 45.34 108.00 -24.42 46.52 105.11 -23.88 46.46 104.01 -24.86 45.25 105.84 -26.35 45.05 105.74 2 0 21.98-999 ?-999 ?-999 ? CL CL A 384 mASP.A 327 -24.65 47.69 105.73 -24.96 47.62 106.67 -23.27 49.78 105.60 -23.06 50.84 105.13 -24.44 48.96 105.05 -25.74 49.77 105.10 2 0 18.19-999 ?-999 ?-999 ? CL CL A 384 mGLY^A 328 -22.50 49.29 106.58 -22.69 48.34 106.82 -22.00 51.43 107.83 -23.10 51.50 108.38 -21.48 50.12 107.21-999.99-999.99-999.99 1 0 17.20-999 ?-999 ?-999 ? CL CL A 384 mTHR^A 329 -21.19 52.46 107.68 -20.43 52.25 107.07 -22.16 54.72 107.39 -21.75 54.99 106.30 -21.38 53.78 108.30 -19.94 54.35 108.68 2 0 14.25-999 ?-999 ?-999 ? CL CL A 384 mGLN^A 330 -23.29 55.21 107.86 -23.53 54.86 108.77 -24.78 57.18 108.05 -24.76 57.04 109.25 -24.11 56.16 107.14 -25.24 55.38 106.38 2 0 12.14-999 ?-999 ?-999 ? CL CL A 384 mTHR^A 331 -25.37 58.20 107.42 -25.20 58.23 106.44 -27.48 59.30 107.26 -27.47 59.47 106.03 -26.18 59.17 108.07 -25.46 60.57 108.30 2 0 11.19-999 ?-999 ?-999 ? CL CL A 384 mGLU^A 332 -28.59 59.21 107.99 -28.46 58.83 108.90 -30.14 61.04 107.79 -30.03 61.47 108.99 -29.89 59.63 107.44 -30.98 58.71 108.00 2 0 12.94-999 ?-999 ?-999 ? CL CL A 384 mLEU^A 333 -30.46 61.81 106.76 -30.54 61.30 105.91 -32.14 63.56 106.57 -32.61 63.31 105.45 -30.67 63.24 106.87 -29.74 64.00 105.92 3 0 11.87-999 ?-999 ?-999 ? CL CL A 384 mARG^A 334 -32.88 64.00 107.58 -32.37 64.10 108.43 -34.43 65.78 107.20 -34.27 66.58 108.10 -34.31 64.30 107.43 -35.12 63.85 108.66 2 0 13.43-999 ?-999 ?-999 ? CL CL A 382 mLEU^A 335 -34.67 66.12 105.95 -34.89 65.34 105.37 -36.03 68.04 105.19 -36.96 67.33 104.76 -34.63 67.47 105.44 -33.77 67.49 104.20 3 0 14.71-999 ?-999 ?-999 ? CL CL A 384 mLYS^A 336 -36.18 69.33 105.45 -35.33 69.78 105.74 -37.26 71.25 104.48 -36.14 71.72 104.30 -37.43 70.02 105.34 -37.94 70.42 106.74 2 0 15.86-999 ?-999 ?-999 ? CL CL A 382 mGLU^A 337 -38.38 71.72 103.93 -39.18 71.13 104.02 -37.71 74.08 104.06 -37.92 74.25 105.29 -38.43 73.00 103.25 -39.88 73.42 103.02 2 0 18.83-999 ?-999 ?-999 ? CL CL A 382 mASP.A 338 -36.90 74.86 103.36 -36.86 74.61 102.39 -36.97 77.17 104.37 -37.97 77.50 103.75 -36.14 75.96 103.97 -35.06 76.37 102.96 2 0 18.52-999 ?-999 ?-999 ? CL CL A 384 mGLY.A 339 -36.59 77.80 105.49 -35.89 77.32 106.01 -38.50 78.99 106.61 -39.02 80.01 106.99 -37.15 79.07 105.90-999.99-999.99-999.99 1 0 19.32-999 ?-999 ?-999 ? CL CL A 382 mILE.A 340 -39.04 77.80 106.83 -38.43 77.04 106.62 -40.50 77.51 108.88 -41.34 78.14 109.51 -40.42 77.64 107.34 -41.10 76.39 106.63 3 0 18.08-999 ?-999 ?-999 ? CL CL A 382 mTRP.A 341 -39.61 76.73 109.48 -38.95 76.35 108.83 -39.08 77.66 111.72 -38.09 78.24 111.33 -39.60 76.45 110.93 -38.71 75.20 111.24 3 0 14.54-999 ?-999 ?-999 ? CL CL A 382 mTHR.A 342 -39.71 77.97 112.86 -40.51 77.39 113.03 -38.63 80.26 113.06 -37.44 80.57 113.30 -39.29 79.06 113.77 -38.32 78.51 114.82 2 0 14.78-999 ?-999 ?-999 ? CL CL A 382 mPRO.A 343 -39.38 80.93 112.15 -40.32 80.61 112.08 -38.51 83.32 112.14 -37.67 84.13 111.72 -38.81 82.03 111.35 -39.88 82.28 110.28 3 0 18.30-999 ?-999 ?-999 ? CL CL A 382 mASP.A 344 -39.15 83.50 113.29 -39.79 82.77 113.54 -37.57 84.65 114.85 -37.09 85.71 115.27 -38.90 84.68 114.11 -40.03 84.87 115.12 2 0 19.49-999 ?-999 ?-999 ? CL CL A 382 mALA.A 345 -36.97 83.47 115.01 -37.34 82.71 114.48 -34.69 84.30 115.49 -34.02 84.91 116.31 -35.83 83.37 115.92 -35.32 81.91 116.06 2 0 17.26-999 ?-999 ?-999 ? CL CL A 382 mTYR.A 346 -34.48 84.39 114.18 -35.07 83.80 113.62 -34.01 85.92 112.37 -33.70 85.48 111.28 -33.45 85.27 113.63 -32.17 84.50 113.26 3 0 19.78-999 ?-999 ?-999 ? CL CL A 382 mPRO.A 347 -34.84 86.97 112.49 -35.02 87.30 113.42 -34.31 88.02 110.25 -33.25 88.51 110.69 -35.41 87.55 111.25 -36.28 88.73 111.76 3 0 22.77-999 ?-999 ?-999 ? CL CL A 382 mTYR.B 6 -30.21 60.06 81.66 -30.54 59.99 80.71 -29.10 58.86 83.67 -28.65 58.85 84.85 -29.72 60.16 83.08 -30.83 60.71 84.00 3 0 13.14-999 ?-999 ?-999 ? CL CL B 382 mGLY.B 7 -29.10 57.79 82.89 -29.64 57.89 82.05 -27.37 56.23 82.17 -27.08 57.03 81.28 -28.36 56.59 83.26-999.99-999.99-999.99 1 0 12.08-999 ?-999 ?-999 ? CL CL B 382 mTYR.B 8 -26.86 55.01 82.22 -27.09 54.50 83.05 -26.91 54.10 79.92 -27.90 53.37 80.07 -26.03 54.49 81.10 -25.15 53.30 81.54 3 0 9.55-999 ?-999 ?-999 ? CL CL B 382 mALA.B 9 -26.56 54.59 78.74 -25.86 55.30 78.76 -26.55 52.70 77.21 -25.45 52.67 76.64 -27.19 54.08 77.54 -26.99 55.10 76.37 2 0 6.36-999 ?-999 ?-999 ? CL CL B 382 mVAL^B 10 -27.22 51.60 77.60 -28.07 51.78 78.08 -27.56 49.73 76.18 -28.68 49.22 76.38 -26.72 50.24 77.32 -26.74 49.24 78.52 3 0 7.85-999 ?-999 ?-999 ? CL CL B 382 mSER^B 11 -26.93 49.84 74.99 -25.94 49.92 75.06 -27.14 48.59 73.03 -25.97 48.49 72.60 -27.63 49.84 73.72 -27.34 51.12 72.86 2 0 6.42-999 ?-999 ?-999 ? CL CL B 382 mVAL^B 12 -28.03 47.62 72.96 -28.88 47.81 73.46 -28.54 46.43 70.85 -29.63 47.04 70.76 -27.81 46.39 72.24 -28.38 45.25 73.08 3 0 9.42-999 ?-999 ?-999 ? CL CL B 382 mARG^B 13 -27.95 45.78 69.83 -27.15 45.25 70.12 -28.49 44.38 67.87 -27.49 43.71 67.70 -28.38 45.82 68.43 -27.40 46.65 67.54 2 0 10.60-999 ?-999 ?-999 ? CL CL B 382 mVAL^B 14 -29.70 43.95 67.53 -30.43 44.60 67.75 -30.86 42.85 65.69 -32.00 43.30 65.84 -29.95 42.68 66.90 -30.66 41.68 67.88 3 0 14.39-999 ?-999 ?-999 ? CL CL B 382 mGLY.B 15 -30.39 42.46 64.51 -29.45 42.12 64.56 -31.66 43.96 63.01 -32.82 44.20 62.63 -31.19 42.55 63.28-999.99-999.99-999.99 1 0 16.45-999 ?-999 ?-999 ? CL CL B 382 mGLY.B 16 -30.78 44.91 63.30 -29.87 44.58 63.56 -32.27 46.80 64.11 -32.88 47.82 63.82 -31.15 46.32 63.21-999.99-999.99-999.99 1 0 13.71-999 ?-999 ?-999 ? CL CL B 382 mLYS^B 17 -32.57 46.09 65.19 -32.16 45.18 65.20 -32.50 46.92 67.41 -31.58 46.21 67.65 -33.42 46.60 66.26 -34.37 45.54 66.72 2 0 13.14-999 ?-999 ?-999 ? CL CL B 382 mGLU^B 18 -32.75 48.01 68.11 -33.57 48.52 67.84 -32.70 48.26 70.42 -33.85 48.53 70.41 -31.89 48.40 69.19 -31.38 49.84 69.01 2 0 9.93-999 ?-999 ?-999 ? CL CL B 382 mHIS^B 19 -32.09 47.77 71.48 -31.13 47.54 71.32 -31.89 48.37 73.77 -30.67 48.38 73.65 -32.75 47.57 72.76 -32.85 46.07 73.12 3 0 10.89-999 ?-999 ?-999 ? CL CL B 382 mARG.B 20 -32.50 49.07 74.72 -33.48 48.88 74.77 -32.21 49.91 77.13 -31.66 50.67 78.01 -31.80 50.03 75.61 -32.04 51.47 75.09 2 0 -9.34-999 ?-999 ?-999 ? CL CL B 382s mHIS.B 21 -33.16 49.01 77.43 -33.38 48.37 76.69 -33.89 47.56 79.30 -34.55 46.71 78.74 -33.82 48.98 78.75 -35.24 49.62 78.71 3 0 12.84-999 ?-999 ?-999 ? CL CL B 382 mTRP.B 22 -33.20 47.32 80.42 -32.88 48.17 80.86 -33.23 45.95 82.46 -33.03 46.96 83.13 -32.93 45.98 80.97 -31.44 45.67 80.80 3 0 15.33-999 ?-999 ?-999 ? CL CL B 382 mGLU.B 23 -33.65 44.79 82.97 -33.88 44.10 82.28 -32.40 44.16 84.95 -32.01 44.57 86.06 -33.76 44.54 84.40 -34.79 43.44 84.69 2 0 18.80-999 ?-999 ?-999 ? CL CL B 382 mARG^B 24 -31.64 43.35 84.18 -32.08 42.94 83.39 -29.40 42.63 83.40 -29.95 42.22 82.37 -30.24 43.13 84.56 -30.13 42.16 85.74 2 0 18.53-999 ?-999 ?-999 ? CL CL B 382 mTYR^B 25 -28.09 42.67 83.57 -27.81 43.14 84.41 -25.85 41.76 83.25 -25.52 42.28 84.36 -27.18 42.07 82.59 -27.03 42.99 81.36 3 0 17.41-999 ?-999 ?-999 ? CL CL B 382 mASP^B 26 -25.12 40.87 82.59 -25.65 40.37 81.90 -23.00 40.52 81.50 -23.36 39.71 80.68 -23.69 40.62 82.82 -23.45 39.33 83.60 2 0 14.86-999 ?-999 ?-999 ? CL CL B 383 mILE^B 27 -22.01 41.38 81.33 -21.86 41.97 82.12 -19.77 41.23 80.57 -19.19 42.09 81.20 -21.20 41.45 80.12 -21.36 42.82 79.43 3 0 11.90-999 ?-999 ?-999 ? CL CL B 383 mASP^B 28 -19.20 40.06 80.24 -19.74 39.50 79.62 -16.78 39.47 79.67 -16.95 38.67 78.76 -17.88 39.68 80.77 -18.06 38.42 81.61 2 0 8.92-999 ?-999 ?-999 ? CL CL B 383 mSER^B 29 -15.70 40.22 79.77 -15.77 40.88 80.53 -13.28 39.77 79.68 -13.12 40.19 80.84 -14.55 40.12 78.88 -14.36 41.37 78.05 2 0 5.89-999 ?-999 ?-999 ? CL CL B 383 mASP^B 30 -12.45 38.91 79.09 -12.70 38.71 78.14 -10.22 37.85 78.76 -10.54 37.18 77.75 -11.29 38.33 79.78 -11.77 37.20 80.70 2 0 -4.67-999 ?-999 ?-999 ? CL CL B 383s mPHE.B 31 -8.96 38.17 79.01 -8.81 38.67 79.86 -7.72 36.26 78.01 -7.38 35.74 76.95 -7.90 37.81 78.09 -6.55 38.45 78.46 3 0 4.60-999 ?-999 ?-999 ? CL CL B 383 mLEU.B 32 -7.95 35.57 79.14 -8.33 36.10 79.89 -8.84 33.26 78.97 -8.67 32.21 78.38 -7.65 34.15 79.25 -7.02 33.83 80.60 3 0 5.78-999 ?-999 ?-999 ? CL CL B 383 mILE.B 33 -10.06 33.68 79.23 -10.08 34.58 79.66 -11.52 33.08 77.40 -11.68 34.24 76.97 -11.23 32.87 78.89 -12.45 33.28 79.74 3 0 -4.88-999 ?-999 ?-999 ? CL CL B 383s mPRO.B 34 -11.51 31.98 76.59 -11.45 31.10 77.06 -12.67 33.06 74.59 -12.36 34.03 73.91 -11.58 32.14 75.12 -11.75 30.72 74.63 3 0 -4.28-999 ?-999 ?-999 ? CL CL B 383s mALA.B 35 -13.91 32.78 74.90 -14.01 32.03 75.55 -15.65 34.41 75.38 -16.23 33.90 76.32 -15.02 33.54 74.31 -16.10 32.59 73.63 2 0 4.72-999 ?-999 ?-999 ? CL CL B 383 mASP.B 36 -15.55 35.72 75.25 -14.93 36.02 74.52 -17.82 36.39 75.96 -18.32 35.81 74.99 -16.31 36.61 76.11 -15.98 38.04 75.83 2 0 -4.89-999 ?-999 ?-999 ? CL CL B 383s mSER^B 37 -18.57 36.83 76.94 -18.12 37.42 77.62 -20.87 37.57 77.46 -20.47 38.52 78.14 -19.96 36.46 76.97 -20.14 35.20 77.84 2 0 8.62-999 ?-999 ?-999 ? CL CL B 383 mPHE^B 38 -22.12 37.43 77.12 -22.32 36.68 76.49 -24.38 37.67 78.05 -24.75 36.63 77.51 -23.11 38.35 77.66 -23.41 39.45 76.63 3 0 12.01-999 ?-999 ?-999 ? CL CL B 383 mASP^B 39 -25.10 38.32 78.96 -24.70 39.15 79.34 -27.26 39.04 79.70 -26.84 39.91 80.43 -26.39 37.83 79.36 -26.18 36.85 80.53 2 0 15.48-999 ?-999 ?-999 ? CL CL B 383 mPHE^B 40 -28.46 39.09 79.11 -28.65 38.31 78.52 -30.75 39.71 79.68 -31.24 38.70 79.18 -29.40 40.19 79.29 -29.55 40.99 78.01 3 0 17.57-999 ?-999 ?-999 ? CL CL B 382 mVAL^B 41 -31.36 40.45 80.59 -30.80 41.16 81.01 -33.58 41.47 80.68 -33.22 42.53 81.18 -32.76 40.19 80.92 -32.94 39.71 82.37 3 0 19.36-999 ?-999 ?-999 ? CL CL B 382 mILE^B 42 -34.62 41.35 79.85 -34.56 40.55 79.24 -36.80 41.92 80.95 -37.30 40.74 81.01 -35.75 42.32 79.86 -36.45 42.44 78.48 3 0 18.69-999 ?-999 ?-999 ? CL CL B 382 mPRO.B 52 -40.44 37.13 70.02 -40.98 37.17 70.86 -38.32 36.24 68.97 -37.52 36.58 69.84 -39.65 37.05 68.79 -39.35 38.53 68.51 3 0 23.49-999 ?-999 ?-999 ? CL CL B 382 mASP.B 53 -38.10 35.19 68.18 -38.79 35.05 67.46 -35.64 34.93 67.80 -35.38 34.79 66.61 -36.93 34.34 68.38 -37.14 32.94 67.80 2 0 24.31-999 ?-999 ?-999 ? CL CL B 382 mLEU.B 54 -34.81 35.52 68.67 -35.16 35.51 69.61 -32.31 35.17 68.32 -31.18 35.60 68.03 -33.53 36.13 68.29 -33.23 37.32 69.22 3 0 21.26-999 ?-999 ?-999 ? CL CL B 382 mSER.B 55 -32.51 33.90 68.68 -33.46 33.63 68.78 -30.72 32.69 67.56 -31.40 32.45 66.57 -31.36 33.02 68.90 -31.74 31.76 69.70 2 0 21.25-999 ?-999 ?-999 ? CL CL B 383 mGLY.B 56 -29.39 32.71 67.54 -28.96 32.85 68.43 -28.36 33.85 65.59 -27.55 33.85 64.67 -28.65 32.56 66.30-999.99-999.99-999.99 1 0 19.89-999 ?-999 ?-999 ? CL CL B 383 mGLU.B 57 -28.97 34.97 66.03 -29.60 34.81 66.80 -27.46 36.97 65.91 -27.11 36.92 67.08 -28.74 36.29 65.44 -29.88 37.28 65.77 2 0 20.01-999 ?-999 ?-999 ? CL CL B 383 mSER^B 58 -26.84 37.71 64.99 -27.22 37.66 64.07 -26.16 39.69 66.14 -27.31 40.11 66.02 -25.70 38.53 65.32 -25.01 39.02 64.06 2 0 17.66-999 ?-999 ?-999 ? CL CL B 383 mCYH^B 59 -25.29 40.20 66.99 -24.39 39.76 67.02 -24.47 42.09 68.33 -23.36 41.58 68.35 -25.66 41.31 67.81 -26.52 40.83 68.98 2 0 14.65-999 ?-999 ?-999 ? CL CL B 382 mGLU^B 60 -24.70 43.34 68.70 -25.65 43.64 68.61 -24.09 44.85 70.47 -25.31 45.01 70.67 -23.64 44.19 69.20 -23.27 45.24 68.18 2 0 11.65-999 ?-999 ?-999 ? CL CL B 382 mVAL^B 61 -23.10 45.21 71.32 -22.19 45.05 70.96 -22.53 47.03 72.70 -21.30 47.02 72.57 -23.32 45.79 72.66 -22.90 44.81 73.84 3 0 9.93-999 ?-999 ?-999 ? CL CL B 382 mVAL^B 62 -23.25 48.16 72.85 -24.24 48.04 72.79 -23.16 50.11 74.36 -24.27 49.84 74.83 -22.61 49.46 73.08 -22.80 50.48 71.87 3 0 6.75-999 ?-999 ?-999 ? CL CL B 382 mILE^B 63 -22.30 50.94 74.91 -21.46 51.05 74.39 -22.04 53.04 75.88 -20.83 53.26 75.63 -22.55 51.62 76.14 -21.86 50.91 77.38 3 0 6.56-999 ?-999 ?-999 ? CL CL B 382 mASP.B 64 -23.00 53.99 75.90 -23.92 53.63 76.04 -21.75 55.78 74.58 -20.71 56.46 74.76 -22.72 55.42 75.73 -22.24 55.99 77.05 2 0 4.87-999 ?-999 ?-999 ? CL CL B 382 mGLY.B 65 -22.09 55.30 73.40 -22.92 54.73 73.41 -20.04 54.77 71.95 -19.40 54.98 70.91 -21.30 55.60 72.20-999.99-999.99-999.99 1 0 -4.07-999 ?-999 ?-999 ? CL CL B 382s mGLN^B 66 -19.67 53.83 72.82 -20.27 53.71 73.62 -18.82 51.55 72.45 -19.47 50.99 73.34 -18.47 53.04 72.58 -17.38 53.30 73.66 2 0 7.34-999 ?-999 ?-999 ? CL CL B 382 mILE^B 67 -18.41 50.92 71.33 -17.93 51.53 70.70 -18.03 48.66 72.19 -16.92 49.04 72.68 -18.67 49.45 71.08 -18.16 48.90 69.67 3 0 8.99-999 ?-999 ?-999 ? CL CL B 382 mVAL^B 68 -18.76 47.65 72.66 -19.62 47.50 72.16 -18.16 45.34 73.54 -17.26 44.73 74.06 -18.30 46.87 73.83 -19.17 47.24 75.08 3 0 11.31-999 ?-999 ?-999 ? CL CL B 382 mMET^B 69 -19.01 44.77 72.69 -19.73 45.39 72.37 -19.70 43.15 70.98 -20.78 43.71 70.77 -18.92 43.37 72.28 -19.44 42.43 73.39 2 0 10.72-999 ?-999 ?-999 ? CL CL B 383 mTHR^B 70 -19.15 42.29 70.17 -18.29 41.95 70.54 -19.90 40.33 68.99 -18.94 39.57 69.20 -19.70 41.85 68.88 -18.74 42.30 67.76 2 0 11.91-999 ?-999 ?-999 ? CL CL B 383 mGLY^B 71 -21.15 39.85 68.90 -21.89 40.51 68.80 -22.54 37.87 68.36 -23.08 38.43 67.43 -21.31 38.41 68.97-999.99-999.99-999.99 1 0 12.01-999 ?-999 ?-999 ? CL CL B 383 mILE^B 72 -22.96 36.73 68.91 -22.45 36.45 69.72 -24.88 35.56 69.58 -24.33 35.09 70.54 -24.08 35.99 68.36 -23.62 34.75 67.53 3 0 14.52-999 ?-999 ?-999 ? CL CL B 383 mILE^B 73 -26.18 35.79 69.54 -26.46 36.35 68.76 -27.15 33.77 70.47 -27.55 33.22 69.47 -27.11 35.29 70.55 -28.50 35.88 70.26 3 0 16.47-999 ?-999 ?-999 ? CL CL B 383 mGLY^B 74 -26.68 33.08 71.50 -26.34 33.65 72.25 -27.98 31.01 71.97 -28.33 29.93 71.57 -26.68 31.63 71.52-999.99-999.99-999.99 1 0 16.45-999 ?-999 ?-999 ? CL CL B 383 mSER^B 75 -28.67 31.69 72.86 -28.30 32.60 73.04 -30.75 32.26 74.03 -30.34 33.40 74.34 -29.84 31.14 73.52 -29.42 30.23 74.68 2 0 19.22-999 ?-999 ?-999 ? CL CL B 383 mGLN^B 76 -32.04 31.94 74.03 -32.22 31.01 73.71 -34.00 32.09 75.34 -34.28 30.92 75.10 -33.07 32.85 74.45 -33.83 33.35 73.23 2 0 21.93-999 ?-999 ?-999 ? CL CL B 383 mARG^B 77 -34.51 32.76 76.36 -34.15 33.69 76.47 -36.64 33.15 77.48 -36.42 34.31 77.76 -35.50 32.16 77.23 -34.88 31.67 78.55 2 0 24.48-999 ?-999 ?-999 ? CL CL B 383 mHIS^B 78 -37.86 32.67 77.33 -37.92 31.78 76.89 -39.70 32.68 78.92 -40.22 31.57 78.72 -39.01 33.42 77.77 -40.01 33.70 76.65 3 0 26.65-999 ?-999 ?-999 ? CL CL B 382 mGLY^B 79 -39.69 33.29 80.09 -39.19 34.16 80.08 -41.50 33.57 81.80 -41.38 34.79 81.86 -40.34 32.72 81.28-999.99-999.99-999.99 1 0 28.91-999 ?-999 ?-999 ? CL CL B 382 mLYS^B 80 -42.59 32.92 82.18 -42.61 31.95 81.94 -44.46 32.78 83.90 -44.74 31.59 83.71 -43.65 33.60 82.90 -44.62 34.32 81.93 2 0 30.67-999 ?-999 ?-999 ? CL CL B 382 mSER.B 81 -44.85 33.48 84.96 -44.41 34.38 85.02 -46.86 34.08 86.11 -46.83 35.12 85.44 -45.79 33.00 85.93 -45.05 32.80 87.23 2 0 33.58-999 ?-999 ?-999 ? CL CL B 382 mLYS.B 82 -47.82 33.81 87.01 -47.72 32.93 87.46 -48.36 36.15 87.60 -48.74 37.10 86.96 -48.91 34.74 87.29 -49.84 34.22 88.44 2 0 35.08-999 ?-999 ?-999 ? CL CL B 382 mGLY.B 83 -47.44 36.30 88.51 -47.15 35.46 88.96 -45.79 38.25 87.93 -45.52 39.44 88.01 -46.92 37.66 88.79-999.99-999.99-999.99 1 0 32.83-999 ?-999 ?-999 ? CL CL B 382 mSER.B 84 -45.13 37.45 87.11 -45.49 36.52 87.03 -43.74 37.30 85.04 -44.19 36.19 84.78 -43.97 37.95 86.39 -42.71 37.79 87.28 2 0 29.53-999 ?-999 ?-999 ? CL CL B 382 mARG^B 85 -42.98 38.00 84.22 -42.59 38.81 84.65 -41.27 38.08 82.56 -40.91 39.23 82.88 -42.74 37.64 82.83 -43.79 38.38 81.98 2 0 27.32-999 ?-999 ?-999 ? CL CL B 382 mGLU^B 86 -40.38 37.18 82.11 -40.67 36.23 82.10 -38.43 36.99 80.46 -38.69 35.81 80.20 -39.06 37.70 81.66 -38.06 38.00 82.81 2 0 24.59-999 ?-999 ?-999 ? CL CL B 382 mLEU^B 87 -37.71 37.80 79.70 -37.58 38.71 80.07 -35.65 37.56 78.67 -35.19 38.61 79.10 -37.13 37.42 78.45 -37.61 38.36 77.35 3 0 22.61-999 ?-999 ?-999 ? CL CL B 382 mSER^B 88 -34.91 36.49 78.44 -35.41 35.65 78.20 -32.80 36.17 77.22 -33.35 35.37 76.49 -33.45 36.60 78.54 -32.88 35.83 79.73 2 0 21.67-999 ?-999 ?-999 ? CL CL B 382 mLEU^B 89 -31.65 36.79 76.97 -31.44 37.48 77.66 -29.35 36.36 76.36 -28.87 37.16 77.19 -30.77 36.53 75.83 -30.76 37.74 74.88 3 0 19.31-999 ?-999 ?-999 ? CL CL B 383 mSER^B 90 -28.66 35.34 75.87 -29.18 34.67 75.33 -26.47 34.83 74.91 -27.03 34.32 73.96 -27.25 35.25 76.13 -27.00 34.31 77.32 2 0 15.85-999 ?-999 ?-999 ? CL CL B 383 mGLY^B 91 -25.17 35.02 74.98 -24.85 35.46 75.82 -22.85 34.89 74.27 -22.50 35.27 75.38 -24.29 34.63 73.94-999.99-999.99-999.99 1 0 13.05-999 ?-999 ?-999 ? CL CL B 383 mARG^B 92 -22.04 34.74 73.22 -22.52 34.50 72.38 -20.19 35.78 72.10 -20.93 36.03 71.20 -20.63 34.90 73.25 -19.99 33.53 73.11 2 0 9.57-999 ?-999 ?-999 ? CL CL B 383 mASP^B 93 -19.00 36.32 72.22 -18.59 36.21 73.13 -18.02 36.03 69.98 -18.39 34.84 70.00 -18.35 37.01 71.14 -17.13 37.76 71.68 2 0 8.20-999 ?-999 ?-999 ? CL CL B 383 mLEU~B 94 -17.36 36.53 68.94 -17.06 37.47 69.06 -16.06 34.63 67.90 -15.96 33.74 67.04 -17.10 35.76 67.73 -16.67 36.72 66.60 3 0 9.65-999 ?-999 ?-999 ? CL CL B 383 mALA~B 95 -15.27 34.65 68.99 -15.30 35.50 69.51 -15.29 32.23 69.53 -14.76 31.12 69.47 -14.44 33.46 69.35 -13.59 33.72 70.62 2 0 7.47-999 ?-999 ?-999 ? CL CL B 383 mGLY~B 96 -16.61 32.38 69.75 -16.90 33.33 69.78 -17.45 30.25 68.78 -17.42 29.04 68.95 -17.52 31.23 69.94-999.99-999.99-999.99 1 0 8.80-999 ?-999 ?-999 ? CL CL B 384 mPHE~B 97 -17.32 30.79 67.59 -17.38 31.79 67.59 -15.85 29.17 66.42 -15.85 28.04 66.00 -17.12 30.00 66.39 -17.03 30.90 65.15 3 0 10.03-999 ?-999 ?-999 ? CL CL B 384 mLEU~B 98 -14.75 29.79 66.87 -14.91 30.70 67.27 -13.27 28.21 67.95 -12.60 27.22 67.84 -13.45 29.18 66.77 -12.36 30.25 66.81 3 0 7.73-999 ?-999 ?-999 ? CL CL B 384 mVAL~B 99 -13.94 28.52 69.06 -14.36 29.42 69.02 -14.83 26.38 69.85 -14.43 25.33 70.23 -14.06 27.65 70.22 -14.69 28.40 71.47 3 0 4.62-999 ?-999 ?-999 ? CL CL B 384 mASP~B 100 -15.90 26.49 69.08 -16.08 27.41 68.73 -16.20 24.44 67.68 -16.40 23.25 67.71 -16.75 25.32 68.81 -18.20 25.71 68.46 2 0 7.41-999 ?-999 ?-999 ? CL CL B 384 mCYH~B 101 -15.52 25.04 66.70 -15.21 25.97 66.90 -13.89 23.73 65.42 -13.01 24.16 66.14 -15.29 24.34 65.44 -15.55 25.29 64.26 2 0 9.35-999 ?-999 ?-999 ? CL CL B 384 mSER.B 102 -13.73 22.66 64.64 -14.58 22.42 64.17 -11.44 22.68 63.69 -11.76 23.34 62.69 -12.47 21.91 64.46 -12.73 20.59 63.74 2 0 10.23-999 ?-999 ?-999 ? CL CL B 384 mALA.B 103 -10.22 22.65 64.18 -10.11 22.17 65.05 -8.88 22.34 62.30 -8.97 21.11 62.51 -9.13 23.29 63.46 -7.92 23.41 64.32 2 0 10.79-999 ?-999 ?-999 ? CL CL B 384 mPRO.B 104 -8.55 22.88 61.12 -8.63 23.87 61.11 -6.66 21.62 60.13 -5.99 21.98 61.12 -8.11 22.12 59.94 -8.14 23.17 58.84 3 0 14.62-999 ?-999 ?-999 ? CL CL B 384 mGLN.B 105 -6.20 20.78 59.22 -6.87 20.46 58.55 -4.11 21.54 58.56 -4.41 21.87 57.40 -4.80 20.38 59.23 -4.54 19.05 58.47 2 0 16.82-999 ?-999 ?-999 ? CL CL B 384 mLEU.B 106 -3.28 22.23 59.33 -3.17 21.88 60.25 -1.14 23.27 59.19 -0.83 23.01 60.36 -2.60 23.42 58.81 -3.18 24.68 59.43 3 0 17.35-999 ?-999 ?-999 ? CL CL B 384 mASN.B 107 -0.25 23.40 58.21 -0.63 23.38 57.29 1.48 25.02 58.53 1.47 25.68 57.49 1.16 23.55 58.51 2.05 22.81 57.51 2 0 19.70-999 ?-999 ?-999 ? CL CL B 384 mVAL.B 108 1.74 25.51 59.74 1.70 24.83 60.47 3.55 27.21 59.99 3.95 28.36 60.01 2.05 26.91 59.97 1.37 27.45 61.26 3 0 19.01-999 ?-999 ?-999 ? CL CL B 384 mLYS.B 109 4.38 26.18 59.93 3.93 25.29 59.93 6.26 27.37 58.76 5.91 27.19 57.59 5.83 26.41 59.87 6.59 25.11 59.74 2 0 21.87-999 ?-999 ?-999 ? CL CL B 384 mGLY.B 110 6.97 28.43 59.16 7.13 28.46 60.15 6.51 30.58 58.04 6.88 31.68 57.61 7.47 29.44 58.24-999.99-999.99-999.99 1 0 24.37-999 ?-999 ?-999 ? CL CL B 384 mMET.B 111 5.25 30.30 58.35 5.06 29.34 58.54 4.53 32.26 59.55 5.00 31.86 60.58 4.25 31.32 58.38 2.84 30.71 58.47 2 0 22.24-999 ?-999 ?-999 ? CL CL B 384 mTHR~B 112 4.26 33.52 59.30 4.23 33.64 58.30 2.85 34.33 61.14 1.80 33.83 60.67 4.03 34.63 60.23 3.78 35.85 59.31 2 0 21.84-999 ?-999 ?-999 ? CL CL B 383 mVAL~B 113 2.99 34.65 62.45 3.87 35.06 62.70 0.69 35.14 62.94 -0.39 34.59 63.06 1.96 34.40 63.40 2.38 34.74 64.89 3 0 18.19-999 ?-999 ?-999 ? CL CL B 383 mLEU~B 114 0.81 36.35 62.40 1.75 36.70 62.33 -1.05 36.33 60.76 -2.27 36.16 60.71 -0.40 37.07 61.95 -0.09 38.53 61.55 3 0 17.53-999 ?-999 ?-999 ? CL CL B 383 mASP~B 115 -0.24 35.89 59.82 0.72 36.11 59.97 -1.49 33.83 59.10 -2.56 33.54 58.62 -0.78 35.14 58.67 0.29 34.85 57.65 2 0 19.99-999 ?-999 ?-999 ? CL CL B 383 mALA~B 116 -0.84 33.03 59.94 0.10 33.32 60.14 -2.81 32.14 61.25 -3.77 31.39 61.09 -1.44 31.83 60.52 -0.43 31.15 61.47 2 0 17.21-999 ?-999 ?-999 ? CL CL B 384 mALA~B 117 -2.88 33.25 62.01 -2.03 33.77 62.08 -5.18 34.00 61.65 -6.37 33.66 61.81 -4.11 33.64 62.67 -3.89 34.82 63.69 2 0 14.93-999 ?-999 ?-999 ? CL CL B 384 mLYS~B 118 -4.77 34.74 60.62 -3.80 34.99 60.66 -6.26 33.92 58.86 -7.45 33.87 58.60 -5.67 35.14 59.53 -4.96 36.01 58.49 2 0 17.06-999 ?-999 ?-999 ? CL CL B 383 mLYS~B 119 -5.42 32.93 58.60 -4.49 33.10 58.93 -6.79 30.88 58.76 -7.77 30.34 58.24 -5.81 31.71 57.90 -4.57 30.88 57.54 2 0 17.44-999 ?-999 ?-999 ? CL CL B 384 mLEU~B 120 -6.47 30.75 60.05 -5.60 31.17 60.30 -8.73 30.70 61.14 -9.73 30.00 61.34 -7.35 30.05 60.99 -6.66 29.89 62.35 3 0 13.69-999 ?-999 ?-999 ? CL CL B 384 mALA~B 121 -8.79 32.02 61.03 -7.89 32.44 60.86 -10.80 32.95 59.84 -11.95 33.42 59.89 -10.03 32.78 61.15 -9.75 34.17 61.77 2 0 14.07-999 ?-999 ?-999 ? CL CL B 384 mALA~B 122 -10.16 32.64 58.70 -9.28 32.19 58.86 -12.08 32.39 57.11 -12.88 33.13 56.59 -10.65 32.91 57.36 -9.64 32.37 56.25 2 0 17.53-999 ?-999 ?-999 ? CL CL B 384 mPRO.B 123 -12.40 31.16 57.55 -11.66 30.65 57.98 -14.90 31.46 58.01 -16.07 31.21 57.70 -13.77 30.64 57.38 -13.69 29.25 58.01 3 0 16.98-999 ?-999 ?-999 ? CL CL B 384 mTRP.B 124 -14.58 32.43 58.87 -13.60 32.54 59.04 -15.40 34.73 59.13 -14.75 35.48 59.85 -15.57 33.26 59.50 -15.53 33.02 61.03 3 0 16.30-999 ?-999 ?-999 ? CL CL B 384 mPRO.B 125 -16.01 35.15 58.01 -16.54 34.45 57.54 -16.48 37.53 58.51 -16.07 38.70 58.53 -15.90 36.54 57.53 -16.71 36.55 56.22 3 0 18.53-999 ?-999 ?-999 ? CL CL B 383 mGLN.B 126 -17.41 37.04 59.34 -17.71 36.12 59.08 -16.75 38.43 61.28 -16.85 39.53 61.82 -17.93 37.78 60.51 -18.79 36.80 61.39 2 0 16.41-999 ?-999 ?-999 ? CL CL B 383 mILE.B 127 -15.61 37.74 61.33 -15.69 36.81 60.99 -13.69 39.10 60.70 -13.05 38.50 59.82 -14.37 38.32 61.86 -13.42 37.22 62.44 3 0 14.10-999 ?-999 ?-999 ? CL CL B 383 mLYS.B 128 -13.82 40.42 60.72 -14.16 40.79 61.59 -12.05 41.76 59.55 -11.50 42.03 58.49 -13.49 41.25 59.55 -14.46 42.43 59.42 2 0 16.82-999 ?-999 ?-999 ? CL CL B 383 mALA.B 129 -11.43 41.89 60.71 -12.01 41.81 61.52 -9.34 41.17 61.73 -9.97 40.67 62.65 -10.00 42.14 60.76 -9.74 43.56 61.15 2 0 15.91-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 130 -8.08 40.87 61.43 -7.82 41.21 60.52 -5.92 40.98 62.36 -5.32 41.31 61.31 -7.18 40.14 62.28 -6.84 38.73 61.75 3 0 14.42-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 131 -5.55 41.36 63.58 -6.09 40.94 64.30 -3.44 41.78 64.83 -3.74 40.95 65.68 -4.45 42.31 63.82 -4.95 43.71 64.30 3 0 14.87-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 132 -2.22 42.25 64.72 -2.07 42.84 63.92 -1.04 43.10 66.65 -0.83 44.24 66.26 -1.19 41.93 65.67 0.10 41.64 64.93 3 0 15.27-999 ?-999 ?-999 ? CL CL B 383 mLYS^B 133 -1.24 42.80 67.94 -1.67 41.91 68.10 0.48 43.29 69.69 0.51 42.96 70.87 -0.84 43.73 69.01 -1.99 43.95 69.97 2 0 14.46-999 ?-999 ?-999 ? CL CL B 383 mALA.B 134 1.56 43.30 68.88 1.33 43.38 67.91 3.85 44.01 68.42 3.38 44.62 67.43 2.93 43.20 69.35 3.38 41.77 69.44 2 0 17.07-999 ?-999 ?-999 ? CL CL B 383 mGLU.B 135 5.16 44.02 68.72 5.42 43.37 69.43 6.40 44.33 66.68 6.32 45.01 65.65 6.09 44.92 68.03 7.41 45.08 68.79 2 0 20.90-999 ?-999 ?-999 ? CL CL B 383 mASN.B 136 6.78 43.06 66.72 6.86 42.67 67.64 6.10 41.10 65.39 5.24 40.79 66.26 7.04 42.32 65.54 8.54 41.97 65.49 2 0 21.84-999 ?-999 ?-999 ? CL CL B 383 mASN.B 137 6.29 40.43 64.25 7.14 40.70 63.79 6.25 38.23 63.28 6.49 38.02 62.08 5.42 39.43 63.68 4.73 40.06 62.46 2 0 20.85-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 138 6.69 37.40 64.25 6.31 37.57 65.17 7.13 35.15 63.19 5.96 34.72 63.39 7.66 36.35 63.94 8.09 35.88 65.33 3 0 22.35-999 ?-999 ?-999 ? CL CL B 383 mALA.B 139 8.01 34.55 62.38 8.87 35.05 62.29 7.63 32.23 62.77 8.29 32.33 63.80 7.74 33.30 61.71 8.87 32.96 60.68 2 0 23.42-999 ?-999 ?-999 ? CL CL B 384 mLEU.B 140 6.77 31.24 62.53 6.33 31.33 61.63 7.26 28.88 63.13 7.65 28.68 61.99 6.47 30.14 63.46 4.98 29.77 63.33 3 0 20.72-999 ?-999 ?-999 ? CL CL B 384 mGLY.B 141 7.45 28.01 64.12 7.15 28.35 65.01 6.96 25.66 63.59 5.85 26.03 63.25 8.02 26.68 63.93-999.99-999.99-999.99 1 0 21.51-999 ?-999 ?-999 ? CL CL B 384 mLYS.B 142 7.30 24.36 63.62 8.26 24.18 63.83 5.41 23.28 64.58 5.91 23.05 65.67 6.28 23.32 63.35 6.87 21.91 63.07 2 0 20.48-999 ?-999 ?-999 ? CL CL B 384 mILE.B 143 4.14 23.58 64.43 3.91 23.94 63.53 2.30 22.24 65.02 1.75 22.32 63.93 3.17 23.38 65.50 2.30 24.62 65.72 3 0 16.75-999 ?-999 ?-999 ? CL CL B 384 mASP.B 144 2.16 21.18 65.80 2.73 21.18 66.63 -0.15 20.41 65.95 -0.31 20.86 67.10 1.24 20.10 65.43 1.70 18.75 65.96 2 0 16.13-999 ?-999 ?-999 ? CL CL B 384 mILE.B 145 -1.14 20.19 65.08 -0.84 19.96 64.15 -3.17 18.87 65.48 -3.22 18.19 64.45 -2.54 20.29 65.48 -3.36 21.40 64.64 3 0 13.32-999 ?-999 ?-999 ? CL CL B 384 mGLU.B 146 -3.64 18.43 66.65 -3.58 19.10 67.39 -5.63 17.04 66.33 -6.40 17.98 66.56 -4.19 17.09 66.82 -4.17 16.68 68.29 2 0 13.43-999 ?-999 ?-999 ? CL CL B 384 mPRO.B 147 -6.02 15.93 65.67 -5.28 15.35 65.35 -8.30 16.02 66.68 -7.89 15.79 67.82 -7.46 15.65 65.47 -7.50 14.11 65.30 3 0 13.94-999 ?-999 ?-999 ? CL CL B 384 mGLY.B 148 -9.46 16.62 66.42 -9.65 16.74 65.44 -10.10 18.45 68.02 -11.04 19.11 68.48 -10.37 17.04 67.47-999.99-999.99-999.99 1 0 11.16-999 ?-999 ?-999 ? CL CL B 384 mGLU.B 149 -8.84 18.91 67.97 -8.18 18.29 67.56 -9.38 21.30 67.85 -9.71 21.22 66.67 -8.50 20.25 68.49 -7.03 20.62 68.24 2 0 8.39-999 ?-999 ?-999 ? CL CL B 384 mTHR~B 150 -9.77 22.29 68.64 -9.45 22.24 69.58 -9.71 24.39 67.43 -8.50 24.40 67.63 -10.60 23.36 68.09 -11.43 24.05 69.17 2 0 6.29-999 ?-999 ?-999 ? CL CL B 384 mVAL~B 151 -10.34 25.28 66.67 -11.31 25.10 66.54 -9.04 27.30 67.18 -7.91 27.76 66.97 -9.66 26.40 66.10 -10.55 27.21 65.13 3 0 7.66-999 ?-999 ?-999 ? CL CL B 384 mTRP~B 152 -9.71 27.47 68.33 -10.57 26.96 68.42 -8.00 27.73 70.03 -7.02 28.41 70.35 -9.22 28.35 69.36 -10.30 28.70 70.42 3 0 5.09-999 ?-999 ?-999 ? CL CL B 384 mGLN~B 153 -8.08 26.43 70.26 -8.95 26.01 70.03 -5.72 25.82 69.96 -4.66 26.08 70.47 -6.95 25.71 70.83 -7.24 24.21 71.05 2 0 5.11-999 ?-999 ?-999 ? CL CL B 384 mALA~B 154 -5.92 25.64 68.66 -6.86 25.41 68.42 -4.28 27.19 67.68 -3.06 27.36 67.73 -4.85 25.78 67.69 -5.32 25.38 66.32 2 0 8.69-999 ?-999 ?-999 ? CL CL B 384 mLEU~B 155 -5.15 28.20 67.61 -6.11 27.92 67.54 -3.94 29.92 68.92 -2.93 30.67 68.89 -4.73 29.57 67.64 -5.95 30.49 67.48 3 0 9.37-999 ?-999 ?-999 ? CL CL B 384 mTHR~B 156 -4.43 29.41 70.05 -5.27 28.89 69.92 -2.36 29.02 71.37 -1.43 29.67 71.78 -3.77 29.63 71.36 -4.61 29.07 72.54 2 0 8.42-999 ?-999 ?-999 ? CL CL B 384 mHIS~B 157 -2.21 27.77 70.90 -3.07 27.33 70.62 0.07 27.92 69.92 1.20 28.21 70.31 -0.92 27.13 70.82 -1.10 25.69 70.35 3 0 10.67-999 ?-999 ?-999 ? CL CL B 384 mILE~B 158 -0.39 28.29 68.73 -1.31 27.97 68.52 0.85 30.41 68.45 2.05 30.66 68.49 0.36 29.10 67.82 -0.49 29.35 66.52 3 0 13.21-999 ?-999 ?-999 ? CL CL B 384 mALA~B 159 -0.09 31.23 68.89 -1.02 30.92 68.70 1.12 32.22 70.74 2.11 32.90 70.88 0.19 32.47 69.55 -1.13 33.12 70.03 2 0 13.54-999 ?-999 ?-999 ? CL CL B 384 mASN~B 160 0.79 31.24 71.59 0.01 30.68 71.33 3.00 30.68 72.45 3.94 31.16 73.09 1.56 31.05 72.82 0.91 30.00 73.77 2 0 13.62-999 ?-999 ?-999 ? CL CL B 384 mSER~B 161 3.19 29.91 71.37 2.34 29.64 70.91 5.49 30.63 70.75 6.66 30.39 70.92 4.53 29.49 70.92 4.53 28.64 69.63 2 0 16.26-999 ?-999 ?-999 ? CL CL B 384 mVAL~B 162 5.02 31.83 70.40 4.04 31.86 70.21 5.55 34.04 71.40 5.60 35.23 71.16 5.87 33.01 70.31 5.80 33.69 68.87 3 0 18.41-999 ?-999 ?-999 ? CL CL B 383 mGLY.B 163 5.14 33.58 72.60 5.04 32.59 72.67 3.66 35.41 73.60 3.57 36.46 74.29 4.89 34.51 73.70-999.99-999.99-999.99 1 0 16.55-999 ?-999 ?-999 ? CL CL B 383 mLEU.B 164 2.70 35.03 72.75 2.86 34.16 72.28 0.26 35.10 72.90 0.34 33.96 73.30 1.52 35.88 72.58 1.48 36.51 71.18 3 0 13.31-999 ?-999 ?-999 ? CL CL B 383 mHIS^B 165 -0.88 35.78 72.75 -0.74 36.69 72.37 -3.28 35.85 72.22 -3.12 36.97 71.72 -2.18 35.26 73.10 -2.52 35.55 74.57 3 0 9.65-999 ?-999 ?-999 ? CL CL B 383 mPRO^B 166 -4.32 35.05 71.94 -4.24 34.13 72.31 -6.68 36.04 71.96 -7.02 35.49 73.01 -5.49 35.52 71.18 -5.88 34.28 70.36 3 0 7.44-999 ?-999 ?-999 ? CL CL B 383 mTRP^B 167 -7.33 37.04 71.39 -6.89 37.40 70.56 -9.28 38.43 70.92 -8.68 38.96 69.96 -8.58 37.57 71.93 -8.35 38.36 73.22 3 0 4.75-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 168 -10.57 38.53 71.13 -10.89 37.97 71.89 -11.57 40.68 71.07 -11.78 40.73 72.29 -11.45 39.37 70.36 -12.86 38.79 70.27 3 0 5.96-999 ?-999 ?-999 ? CL CL B 383 mGLU.B 169 -11.44 41.75 70.30 -11.14 41.53 69.37 -13.17 43.43 70.62 -13.91 42.71 69.97 -11.70 43.10 70.75 -10.84 44.07 69.96 2 0 8.24-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 170 -13.63 44.50 71.29 -12.95 45.00 71.83 -15.69 45.00 69.82 -16.86 44.67 69.70 -15.03 44.89 71.21 -15.04 46.23 71.94 3 0 10.18-999 ?-999 ?-999 ? CL CL B 383 mASP.B 171 -14.97 45.48 68.79 -14.03 45.72 69.03 -15.46 44.33 66.60 -15.78 44.37 65.42 -15.54 45.61 67.42 -14.88 46.75 66.62 2 0 12.94-999 ?-999 ?-999 ? CL CL B 383 mGLY.B 172 -15.00 43.22 67.21 -14.69 43.35 68.15 -13.65 41.62 65.87 -13.55 40.66 65.12 -14.97 41.92 66.55-999.99-999.99-999.99 1 0 11.11-999 ?-999 ?-999 ? CL CL B 383 mTHR.B 173 -12.64 42.43 66.12 -12.86 43.18 66.75 -10.68 41.16 66.36 -10.75 41.20 67.58 -11.33 42.23 65.51 -10.44 43.53 65.60 2 0 11.59-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 174 -10.06 40.19 65.71 -10.19 40.22 64.72 -7.88 39.68 66.55 -7.26 40.15 65.58 -9.28 39.17 66.39 -9.24 37.90 65.57 3 0 9.80-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 175 -7.36 39.61 67.77 -7.97 39.32 68.51 -5.13 38.80 68.43 -5.60 37.98 69.22 -5.97 39.95 67.93 -5.69 41.24 68.79 3 0 10.02-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 176 -3.89 38.78 67.93 -3.75 39.34 67.12 -1.83 39.02 69.00 -1.46 39.89 68.22 -2.86 38.00 68.54 -2.26 36.92 67.61 3 0 11.19-999 ?-999 ?-999 ? CL CL B 383 mGLY^B 177 -1.43 38.93 70.27 -1.63 38.06 70.71 -0.41 39.82 72.41 -0.41 38.69 72.94 -0.75 40.04 70.93-999.99-999.99-999.99 1 0 12.21-999 ?-999 ?-999 ? CL CL B 383 mGLY.B 178 -0.06 40.92 73.06 0.00 41.75 72.49 -0.01 42.30 75.04 -0.43 43.22 74.34 0.20 40.92 74.47-999.99-999.99-999.99 1 0 12.55-999 ?-999 ?-999 ? CL CL B 383 mALA.B 179 0.30 42.46 76.30 0.70 41.64 76.72 1.08 44.82 76.67 2.23 44.56 76.47 0.07 43.70 77.00 0.03 43.44 78.44 2 0 13.73-999 ?-999 ?-999 ? CL CL B 383 mASP.B 180 0.61 46.05 76.59 -0.39 46.09 76.60 1.46 47.84 77.86 0.48 48.38 78.32 1.45 47.22 76.49 0.82 48.22 75.52 2 0 16.87-999 ?-999 ?-999 ? CL CL B 383 mTYR.B 181 2.60 47.75 78.52 3.34 47.31 78.01 3.30 49.63 79.80 3.62 50.21 80.79 2.74 48.23 79.85 3.66 47.31 80.62 3 0 18.99-999 ?-999 ?-999 ? CL CL B 383 mSER.B 182 3.38 50.17 78.62 3.08 49.59 77.86 2.77 52.51 78.67 3.00 53.58 79.14 3.87 51.50 78.45 4.58 51.66 77.10 2 0 21.72-999 ?-999 ?-999 ? CL CL B 383 mSER.B 183 1.54 52.16 78.33 1.43 51.24 77.97 0.23 53.39 79.96 0.13 52.47 80.75 0.48 53.13 78.50 -0.79 52.70 77.80 2 0 20.77-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 184 0.16 54.66 80.31 0.16 55.31 79.55 -1.25 54.65 82.32 -2.23 54.67 81.60 0.09 55.02 81.73 0.27 56.54 81.75 3 0 22.77-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 185 -1.29 54.33 83.62 -0.42 54.35 84.10 -3.62 54.99 83.90 -3.33 56.18 83.83 -2.55 53.97 84.25 -2.22 54.03 85.74 3 0 21.55-999 ?-999 ?-999 ? CL CL B 383 mVAL.B 186 -4.84 54.52 83.73 -4.96 53.59 84.06 -6.99 55.71 84.14 -7.99 56.38 83.82 -5.90 55.30 83.11 -6.43 54.48 81.90 3 0 21.11-999 ?-999 ?-999 ? CL CL B 383 mALA.B 187 -6.79 55.29 85.39 -5.98 54.71 85.50 -6.90 55.31 87.74 -5.96 54.50 87.71 -7.67 55.64 86.48 -8.99 54.85 86.41 2 0 22.46-999 ?-999 ?-999 ? CL CL B 383 mTHR^B 188 -7.28 55.99 88.83 -7.91 56.74 88.64 -8.06 55.31 90.94 -9.07 56.01 90.85 -6.82 55.65 90.16 -6.09 56.83 90.87 2 0 20.85-999 ?-999 ?-999 ? CL CL A 384 mLEU^B 189 -7.99 54.23 91.71 -7.11 53.75 91.67 -8.66 53.70 93.95 -7.61 53.11 94.23 -9.11 53.81 92.52 -9.65 52.45 92.04 3 0 19.28-999 ?-999 ?-999 ? CL CL A 384 mCSS^B 190 -9.46 54.22 94.87 -10.29 54.65 94.52 -10.24 53.58 97.12 -11.41 53.62 96.76 -9.12 54.15 96.27 -8.63 55.51 96.82 2 0 17.55-999 ?-999 ?-999 ? CL CL A 384 mTRP^B 191 -9.82 53.01 98.23 -8.83 52.93 98.27 -10.61 53.53 100.48 -9.52 53.94 100.88 -10.68 52.55 99.29 -10.18 51.20 99.80 3 0 17.11-999 ?-999 ?-999 ? CL CL A 384 mSER.B 192 -11.76 53.82 101.07 -12.56 53.43 100.63 -13.18 54.45 102.81 -14.16 54.56 102.06 -11.80 54.65 102.27 -11.49 56.15 101.93 2 0 14.58-999 ?-999 ?-999 ? CL CL A 384 mARG.B 193 -13.24 54.15 104.10 -12.36 53.86 104.47 -14.79 55.66 105.32 -15.93 55.97 105.64 -14.45 54.21 104.89 -14.42 53.23 106.06 2 0 13.94-999 ?-999 ?-999 ? CL CL A 384 mTHR.B 194 -13.80 56.56 105.25 -12.89 56.17 105.12 -14.35 58.63 104.04 -15.49 58.62 103.62 -14.07 57.99 105.37 -13.06 58.77 106.25 2 0 11.16-999 ?-999 ?-999 ? CL CL A 384 mASP.B 195 -13.30 59.13 103.39 -12.46 58.96 103.91 -14.27 59.41 101.04 -14.15 58.37 100.44 -13.27 59.85 102.11 -11.82 59.91 101.57 2 0 9.71-999 ?-999 ?-999 ? CL CL A 384 mSER.B 196 -15.27 60.20 100.80 -15.26 61.07 101.30 -15.89 59.92 98.37 -16.55 59.35 97.54 -16.29 59.80 99.85 -17.61 60.52 100.14 2 0 8.01-999 ?-999 ?-999 ? CL CL A 384 mARG.B 197 -14.81 60.65 98.06 -14.48 61.21 98.82 -13.85 59.15 96.26 -13.61 58.90 95.07 -14.19 60.60 96.70 -12.86 61.41 96.63 2 0 9.89-999 ?-999 ?-999 ? CL CL A 384 mCSS.B 198 -13.78 58.22 97.21 -14.06 58.54 98.11 -14.47 55.95 96.38 -15.56 55.86 96.92 -13.35 56.84 96.92 -12.68 56.22 98.14 2 0 12.83-999 ?-999 ?-999 ? CL CL A 384 mASN.B 199 -14.09 55.21 95.36 -13.11 55.06 95.36 -15.25 53.13 94.60 -16.24 52.54 94.12 -14.95 54.64 94.35 -14.23 54.82 92.98 2 0 14.92-999 ?-999 ?-999 ? CL CL A 384 mILE^B 200 -14.34 52.48 95.33 -13.66 53.07 95.76 -15.45 50.66 96.49 -15.38 51.06 97.65 -14.35 51.05 95.49 -12.94 50.54 95.99 3 0 17.64-999 ?-999 ?-999 ? CL CL A 384 mGLU^B 201 -16.40 49.83 96.03 -16.29 49.59 95.06 -17.16 48.00 97.47 -17.51 47.72 98.61 -17.50 49.32 96.82 -18.76 49.21 95.97 2 0 18.00-999 ?-999 ?-999 ? CL CL A 384 mARG^B 202 -16.39 47.19 96.76 -16.15 47.50 95.84 -14.57 45.60 96.82 -14.16 45.99 95.70 -15.97 45.95 97.32 -17.02 44.91 97.00 2 0 21.38-999 ?-999 ?-999 ? CL CL A 384 mMET^B 203 -13.82 44.91 97.68 -14.28 44.74 98.55 -12.17 43.04 97.85 -12.32 42.75 99.04 -12.45 44.45 97.34 -11.39 45.42 97.86 2 0 23.27-999 ?-999 ?-999 ? CL CL B 383 mASP^B 204 -11.75 42.18 96.92 -11.67 42.58 96.00 -10.03 40.47 96.75 -9.72 40.68 95.60 -11.42 40.77 97.22 -12.38 39.84 96.49 2 0 22.13-999 ?-999 ?-999 ? CL CL B 383 mILE^B 205 -9.20 40.03 97.67 -9.58 39.93 98.59 -7.63 38.19 97.57 -8.00 37.66 98.62 -7.84 39.71 97.36 -6.81 40.48 98.20 3 0 22.37-999 ?-999 ?-999 ? CL CL B 383 mGLU^B 206 -7.07 37.52 96.57 -6.85 38.10 95.78 -5.34 35.78 96.31 -4.77 36.23 95.31 -6.79 36.08 96.62 -7.71 35.31 95.67 2 0 21.61-999 ?-999 ?-999 ? CL CL B 383 mTRP^B 207 -4.74 35.01 97.20 -5.30 34.85 98.01 -3.61 32.94 97.07 -4.30 32.40 97.90 -3.42 34.46 97.04 -2.49 34.85 98.18 3 0 23.05-999 ?-999 ?-999 ? CL CL B 383 mASP.B 208 -2.95 32.26 96.14 -2.36 32.83 95.57 -1.66 30.32 95.64 -0.93 30.92 94.82 -3.07 30.83 95.96 -4.03 30.56 94.79 2 0 22.77-999 ?-999 ?-999 ? CL CL B 383 mTHR.B 209 -1.27 29.24 96.30 -1.94 28.89 96.95 0.05 27.41 95.21 1.10 26.84 95.03 0.05 28.65 96.08 0.72 28.26 97.41 2 0 24.79-999 ?-999 ?-999 ? CL CL B 383 mASP.B 210 -1.09 26.97 94.65 -1.86 27.61 94.70 -0.18 25.46 92.80 0.17 24.32 92.46 -1.12 25.64 94.02 -2.53 25.11 93.69 2 0 22.78-999 ?-999 ?-999 ? CL CL B 384 mASN.B 211 0.23 26.56 92.16 -0.13 27.42 92.52 2.46 27.20 91.33 3.13 27.65 90.41 1.14 26.48 91.04 0.47 26.95 89.73 2 0 21.36-999 ?-999 ?-999 ? CL CL B 384 mARG.B 212 2.84 27.29 92.59 2.15 27.08 93.29 5.04 26.46 93.15 4.70 25.66 94.01 4.21 27.68 92.85 4.42 28.74 93.91 2 0 24.69-999 ?-999 ?-999 ? CL CL B 384 mPHE.B 213 6.12 26.34 92.40 6.31 27.13 91.82 8.32 25.59 92.85 8.71 26.76 92.72 6.95 25.17 92.41 6.94 24.55 91.03 3 0 26.16-999 ?-999 ?-999 ? CL CL B 384 mSER.B 214 9.02 24.64 93.44 8.56 23.75 93.47 11.39 24.67 92.89 12.39 25.36 92.87 10.35 24.86 94.00 10.59 23.86 95.15 2 0 29.70-999 ?-999 ?-999 ? CL CL B 384 mGLU^B 215 11.13 23.71 92.01 10.32 23.17 92.22 11.07 22.93 89.72 10.29 22.00 89.92 11.93 23.47 90.84 12.98 22.39 91.12 2 0 28.99-999 ?-999 ?-999 ? CL CL B 384 mVAL^B 216 11.27 23.46 88.51 11.97 24.17 88.49 11.52 22.68 86.21 12.33 23.52 85.79 10.52 23.04 87.34 9.51 24.11 86.87 3 0 25.91-999 ?-999 ?-999 ? CL CL B 384 mTHR^B 217 11.45 21.42 85.77 10.80 20.85 86.27 11.40 20.83 83.41 10.40 20.10 83.32 12.24 20.91 84.68 12.79 19.52 85.03 2 0 26.48-999 ?-999 ?-999 ? CL CL B 384 mPHE^B 218 11.82 21.60 82.40 12.68 22.08 82.59 11.77 20.90 80.05 12.99 21.02 79.85 11.08 21.71 81.15 10.96 23.18 80.74 3 0 23.96-999 ?-999 ?-999 ? CL CL B 384 mLEU^B 219 10.99 20.08 79.34 10.01 20.19 79.55 10.85 19.24 76.97 9.61 19.31 76.86 11.52 19.11 78.36 11.33 17.68 78.90 3 0 24.30-999 ?-999 ?-999 ? CL CL B 384 mLEU.B 234 17.75 19.73 74.57 18.59 19.23 74.37 16.03 20.18 76.32 15.09 19.41 76.54 16.52 20.47 74.88 15.44 20.15 73.82 3 0 28.35-999 ?-999 ?-999 ? CL CL B 384 mLYS.B 235 16.71 20.79 77.30 17.52 21.27 76.97 16.75 22.04 79.47 17.94 22.38 79.47 16.30 20.77 78.71 16.86 19.53 79.44 2 0 28.51-999 ?-999 ?-999 ? CL CL B 384 mTRP^B 236 15.80 22.73 80.13 14.87 22.41 79.95 15.44 23.65 82.39 14.24 23.37 82.44 16.13 23.85 81.04 15.73 25.21 80.42 3 0 28.43-999 ?-999 ?-999 ? CL CL B 384 mVAL^B 237 16.20 23.81 83.47 17.16 23.98 83.27 15.53 25.14 85.45 16.47 25.92 85.43 15.65 23.75 84.82 16.49 22.82 85.74 3 0 29.21-999 ?-999 ?-999 ? CL CL B 384 mTYR^B 238 14.34 25.43 85.98 13.63 24.75 85.76 14.05 26.21 88.26 13.47 25.17 88.59 14.09 26.62 86.80 12.75 27.29 86.42 3 0 28.52-999 ?-999 ?-999 ? CL CL B 384 mLYS^B 239 14.65 27.03 89.12 15.09 27.81 88.67 14.25 28.12 91.21 14.69 29.19 90.82 14.68 26.82 90.55 16.09 26.44 91.01 2 0 30.94-999 ?-999 ?-999 ? CL CL B 384 mASP.B 240 13.37 28.00 92.20 13.11 27.05 92.40 13.65 29.20 94.17 13.70 28.20 94.91 12.82 29.13 92.92 11.35 28.88 93.27 2 0 30.74-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 241 14.28 30.38 94.45 14.04 31.16 93.87 14.66 30.55 96.96 15.22 29.99 97.92 15.26 30.43 95.54 16.14 31.66 95.20 3 0 33.92-999 ?-999 ?-999 ? CL CL B 383 mTHR.B 242 13.55 31.27 97.09 13.22 31.66 96.23 11.94 30.28 98.78 11.65 30.12 99.97 12.86 31.45 98.38 12.01 32.75 98.38 2 0 33.74-999 ?-999 ?-999 ? CL CL B 383 mMET.B 243 11.44 29.52 97.80 11.61 29.89 96.88 11.56 27.37 98.94 12.62 26.91 98.50 10.71 28.26 98.05 10.43 27.49 96.73 2 0 32.63-999 ?-999 ?-999 ? CL CL B 383 mTHR.B 244 11.12 27.17 100.18 10.33 27.73 100.42 11.16 24.78 100.95 11.84 23.79 101.23 11.74 26.22 101.11 11.58 26.67 102.57 2 0 35.81-999 ?-999 ?-999 ? CL CL B 384 mLEU.B 245 9.90 24.68 100.51 9.49 25.55 100.25 9.50 22.69 99.12 9.73 23.35 98.08 9.20 23.40 100.43 7.68 23.61 100.52 3 0 33.83-999 ?-999 ?-999 ? CL CL B 384 mHIS.B 246 9.45 21.36 99.14 9.20 20.98 100.04 8.48 20.41 97.10 7.51 19.77 97.50 9.74 20.55 97.96 10.27 19.17 98.40 3 0 32.64-999 ?-999 ?-999 ? CL CL B 384 mARG.B 247 8.49 21.02 95.92 9.30 21.58 95.74 7.89 20.86 93.56 7.68 21.82 92.82 7.38 20.88 94.98 6.35 22.01 95.15 2 0 28.84-999 ?-999 ?-999 ? CL CL B 384 mPRO^B 248 8.56 19.76 93.16 8.61 19.02 93.83 8.11 19.48 90.78 7.05 18.92 91.06 9.17 19.68 91.84 10.03 18.42 91.92 3 0 28.14-999 ?-999 ?-999 ? CL CL B 384 mLYS^B 249 8.39 19.94 89.57 9.24 20.46 89.50 8.31 19.47 87.21 9.40 19.99 87.09 7.49 19.68 88.46 6.49 20.82 88.25 2 0 24.78-999 ?-999 ?-999 ? CL CL B 384 mTHR^B 250 7.77 18.70 86.28 6.90 18.29 86.55 7.36 18.75 83.92 6.22 18.31 84.07 8.39 18.49 84.99 8.84 17.05 84.83 2 0 23.97-999 ?-999 ?-999 ? CL CL B 384 mVAL^B 251 7.76 19.44 82.86 8.73 19.69 82.86 7.43 19.43 80.42 8.61 19.67 80.16 6.84 19.80 81.78 6.43 21.32 81.84 3 0 20.85-999 ?-999 ?-999 ? CL CL B 384 mVAL^B 252 6.59 18.84 79.57 5.73 18.55 80.00 6.34 19.82 77.33 5.12 19.96 77.14 6.87 18.62 78.16 6.23 17.29 77.61 3 0 20.16-999 ?-999 ?-999 ? CL CL B 384 mVAL.B 253 7.25 20.67 76.86 8.18 20.43 77.12 6.53 21.47 74.59 7.25 20.74 73.88 6.90 21.85 76.05 8.05 22.93 76.09 3 0 18.80-999 ?-999 ?-999 ? CL CL B 384 mASP.B 257 11.56 23.32 69.24 10.85 23.71 69.83 13.97 23.17 68.85 14.81 22.33 69.14 12.58 22.74 68.37 12.38 23.16 66.89 2 0 24.61-999 ?-999 ?-999 ? CL CL B 384 mASN.B 258 14.17 24.48 68.93 13.39 25.02 68.60 15.33 25.18 70.99 14.24 25.17 71.56 15.40 25.08 69.46 15.59 26.49 68.84 2 0 26.94-999 ?-999 ?-999 ? CL CL B 384 mLEU~B 259 16.50 25.27 71.63 17.29 25.10 71.04 16.15 27.03 73.35 15.49 27.29 74.37 16.60 25.59 73.06 18.04 25.37 73.54 3 0 27.81-999 ?-999 ?-999 ? CL CL B 384 mALA~B 260 16.49 27.98 72.47 17.15 27.68 71.78 14.39 29.28 72.61 13.76 30.05 73.34 15.92 29.33 72.54 16.37 30.18 71.35 2 0 27.30-999 ?-999 ?-999 ? CL CL B 384 mALA~B 261 13.80 28.36 71.84 14.44 27.85 71.27 11.85 27.48 73.17 10.66 27.62 73.51 12.35 28.11 71.85 11.96 27.24 70.64 2 0 23.68-999 ?-999 ?-999 ? CL CL B 384 mLEU~B 262 12.74 26.81 73.90 13.64 26.74 73.47 12.28 27.29 76.31 11.18 27.47 76.82 12.43 26.23 75.21 13.49 25.19 75.64 3 0 23.68-999 ?-999 ?-999 ? CL CL B 384 mGLN~B 263 13.38 27.97 76.68 14.21 27.68 76.21 12.27 30.11 77.38 11.62 30.60 78.28 13.32 29.03 77.70 14.69 29.68 77.95 2 0 25.00-999 ?-999 ?-999 ? CL CL B 384 mLYS~B 264 12.09 30.45 76.11 12.75 30.04 75.48 9.67 30.86 76.23 8.97 31.56 76.97 11.01 31.36 75.69 10.94 31.47 74.15 2 0 22.86-999 ?-999 ?-999 ? CL CL B 384 mGLN~B 265 9.35 29.62 75.87 10.06 29.13 75.36 8.00 28.64 77.68 6.98 28.83 78.32 8.06 29.03 76.20 7.78 27.82 75.30 2 0 19.62-999 ?-999 ?-999 ? CL CL B 384 mALA~B 266 9.11 28.23 78.25 9.90 28.16 77.64 8.95 29.12 80.61 8.32 29.02 81.64 9.15 27.93 79.67 10.39 27.24 80.00 2 0 21.29-999 ?-999 ?-999 ? CL CL B 384 mLYS~B 267 9.53 30.25 80.24 10.02 30.19 79.37 8.06 32.01 80.98 7.63 32.66 81.88 9.46 31.45 81.02 10.45 32.48 80.48 2 0 22.18-999 ?-999 ?-999 ? CL CL B 383 mLYS~B 268 7.38 31.74 79.90 7.91 31.24 79.22 5.06 31.29 80.60 4.08 31.80 81.15 5.99 32.14 79.72 5.50 32.01 78.27 2 0 18.44-999 ?-999 ?-999 ? CL CL B 383 mGLN~B 269 5.35 29.99 80.68 6.07 29.67 80.06 4.80 29.55 83.07 3.82 29.56 83.82 4.64 29.12 81.62 5.07 27.67 81.47 2 0 17.96-999 ?-999 ?-999 ? CL CL B 384 mLEU~B 270 6.04 29.85 83.47 6.74 29.65 82.78 5.53 31.71 85.07 4.98 31.88 86.16 6.33 30.43 84.79 7.84 30.73 84.95 3 0 20.92-999 ?-999 ?-999 ? CL CL B 383 mALA~B 271 5.48 32.60 84.09 5.97 32.31 83.27 3.26 33.67 84.37 2.59 34.29 85.21 4.76 33.88 84.20 5.07 34.78 82.98 2 0 18.56-999 ?-999 ?-999 ? CL CL B 383 mASP~B 272 2.72 32.72 83.60 3.37 32.28 82.98 0.93 31.78 85.04 -0.07 32.15 85.58 1.31 32.38 83.69 0.88 31.47 82.51 2 0 15.67-999 ?-999 ?-999 ? CL CL B 383 mTRP~B 273 1.78 30.95 85.61 2.57 30.72 85.04 1.66 31.49 88.02 0.89 31.47 88.98 1.58 30.41 86.95 2.58 29.28 87.25 3 0 18.34-999 ?-999 ?-999 ? CL CL B 383 mARG~B 274 2.60 32.42 87.85 3.16 32.29 87.03 1.49 34.35 88.84 1.02 34.69 89.90 2.78 33.54 88.79 3.98 34.40 88.40 2 0 19.66-999 ?-999 ?-999 ? CL CL B 383 mLEU~B 275 0.91 34.60 87.67 1.42 34.24 86.89 -1.52 34.59 88.22 -2.37 35.22 88.87 -0.36 35.32 87.54 -0.68 35.60 86.07 3 0 16.39-999 ?-999 ?-999 ? CL CL B 383 mGLU~B 276 -1.55 33.27 88.11 -0.82 32.87 87.56 -2.58 32.63 90.27 -3.57 32.42 90.90 -2.61 32.50 88.77 -2.56 31.01 88.46 2 0 16.39-999 ?-999 ?-999 ? CL CL B 383 mGLY~B 277 -1.43 32.97 90.83 -0.71 33.19 90.17 -1.76 34.22 92.98 -1.86 34.20 94.20 -1.21 33.00 92.27-999.99-999.99-999.99 1 0 19.92-999 ?-999 ?-999 ? CL CL B 383 mPHE^B 278 -2.19 35.24 92.23 -2.11 35.12 91.24 -3.78 37.09 91.99 -3.61 37.31 90.79 -2.72 36.44 92.85 -1.57 37.42 93.15 3 0 19.40-999 ?-999 ?-999 ? CL CL B 383 mTHR^B 279 -4.90 37.38 92.61 -4.93 37.02 93.54 -6.53 39.19 92.96 -6.83 38.88 94.12 -5.97 38.16 91.98 -7.12 37.28 91.44 2 0 17.43-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 280 -6.66 40.41 92.44 -6.25 40.49 91.53 -8.60 41.84 92.34 -8.60 42.32 91.20 -7.31 41.54 93.08 -6.39 42.76 93.04 3 0 18.76-999 ?-999 ?-999 ? CL CL B 383 mTHR^B 281 -9.70 41.55 92.98 -9.54 41.14 93.88 -11.66 43.02 93.11 -11.98 42.97 94.32 -11.01 41.80 92.41 -11.93 40.56 92.50 2 0 17.73-999 ?-999 ?-999 ? CL CL B 383 mILE^B 282 -11.87 44.08 92.32 -11.56 43.93 91.39 -13.82 45.55 92.09 -13.91 45.44 90.89 -12.49 45.33 92.78 -11.55 46.51 92.54 3 0 19.46-999 ?-999 ?-999 ? CL CL B 383 mTHR^B 283 -14.86 45.82 92.88 -14.66 45.74 93.86 -16.34 47.70 92.63 -16.16 48.20 93.76 -16.17 46.19 92.40 -17.20 45.38 93.12 2 0 20.07-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 284 -16.63 48.39 91.52 -16.64 47.83 90.70 -18.31 50.04 91.01 -18.91 49.20 90.32 -16.90 49.82 91.49 -15.90 50.60 90.61 3 0 19.80-999 ?-999 ?-999 ? CL CL A 384 mGLY^B 285 -18.88 51.19 91.37 -18.35 51.75 92.01 -20.04 52.13 89.46 -19.01 52.70 89.15 -20.19 51.54 90.83-999.99-999.99-999.99 1 0 18.43-999 ?-999 ?-999 ? CL CL A 384 mGLY.B 286 -21.07 52.02 88.63 -21.87 51.57 89.02 -20.18 51.65 86.28 -19.76 50.56 86.62 -20.98 52.54 87.27-999.99-999.99-999.99 1 0 16.50-999 ?-999 ?-999 ? CL CL B 382 mHIS.B 287 -19.91 52.18 85.09 -20.21 53.13 85.03 -18.04 52.15 83.36 -17.40 51.60 82.47 -19.24 51.44 83.99 -20.25 51.09 82.92 3 0 14.37-999 ?-999 ?-999 ? CL CL B 382 mLYS.B 288 -17.72 53.33 83.87 -18.20 53.55 84.72 -15.79 54.73 84.27 -16.13 54.83 85.44 -16.76 54.22 83.25 -17.47 55.39 82.58 2 0 14.50-999 ?-999 ?-999 ? CL CL B 382 mTHR.B 289 -14.58 55.00 83.84 -14.39 54.74 82.89 -14.06 57.10 85.07 -15.01 57.64 84.47 -13.61 55.64 84.71 -12.24 55.75 84.05 2 0 17.58-999 ?-999 ?-999 ? CL CL B 382 mARG.B 290 -13.38 57.71 86.04 -12.64 57.15 86.42 -13.39 60.10 85.43 -13.63 61.27 85.68 -13.70 59.08 86.49 -12.99 59.44 87.81 2 0 18.21-999 ?-999 ?-999 ? CL CL A 384 mASP.B 291 -12.85 59.66 84.27 -12.55 58.71 84.33 -13.53 59.94 81.81 -13.29 60.37 80.69 -12.72 60.46 83.03 -11.26 60.51 82.59 2 0 17.73-999 ?-999 ?-999 ? CL CL B 382 mGLY.B 292 -14.46 59.00 81.99 -14.46 58.60 82.91 -15.00 57.42 80.01 -15.70 57.11 79.04 -15.38 58.60 80.90-999.99-999.99-999.99 1 0 13.97-999 ?-999 ?-999 ? CL CL B 382 mVAL.B 293 -13.89 56.76 80.33 -13.39 57.17 81.09 -14.15 54.25 80.15 -14.02 53.96 81.33 -13.48 55.53 79.59 -11.94 55.37 79.60 3 0 14.28-999 ?-999 ?-999 ? CL CL B 382 mLEU.B 294 -14.88 53.51 79.31 -14.98 53.92 78.40 -14.35 51.26 80.08 -13.38 51.09 79.34 -15.46 52.22 79.68 -16.21 51.60 78.52 3 0 13.15-999 ?-999 ?-999 ? CL CL B 382 mTRP.B 295 -14.47 50.63 81.25 -15.27 50.90 81.78 -13.32 48.59 80.62 -14.32 48.13 80.10 -13.48 49.64 81.70 -13.94 48.98 82.98 3 0 14.75-999 ?-999 ?-999 ? CL CL B 383 mGLN.B 296 -12.08 48.25 80.28 -11.38 48.73 80.80 -10.52 46.54 79.65 -9.60 47.20 80.11 -11.79 47.26 79.25 -11.63 47.92 77.85 2 0 11.49-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 297 -10.47 45.19 79.50 -11.32 44.74 79.25 -8.06 45.12 78.92 -8.26 45.57 77.79 -9.19 44.49 79.71 -9.49 43.05 79.28 3 0 9.40-999 ?-999 ?-999 ? CL CL B 383 mGLY.B 298 -6.87 45.17 79.51 -6.83 44.73 80.41 -5.25 47.12 79.52 -4.08 47.49 79.36 -5.74 45.82 78.88-999.99-999.99-999.99 1 0 11.52-999 ?-999 ?-999 ? CL CL B 383 mLEU.B 299 -6.14 47.80 80.22 -7.05 47.38 80.20 -5.05 48.72 82.23 -5.24 47.67 82.85 -5.82 49.04 80.96 -7.09 49.81 81.40 3 0 14.87-999 ?-999 ?-999 ? CL CL B 383 mARG^B 300 -4.18 49.65 82.61 -4.00 50.36 81.92 -4.26 50.63 84.87 -4.81 51.67 84.47 -3.55 49.64 83.91 -2.05 49.85 83.76 2 0 17.55-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 301 -4.28 50.26 86.14 -3.66 49.49 86.35 -4.27 51.03 88.40 -3.72 50.06 88.90 -5.12 50.90 87.14 -6.42 50.07 87.40 3 0 19.63-999 ?-999 ?-999 ? CL CL B 383 mHIS^B 302 -4.11 52.26 88.86 -4.47 52.96 88.24 -4.46 52.31 91.29 -5.56 52.81 91.26 -3.48 52.57 90.14 -3.06 54.04 90.11 3 0 23.21-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 303 -4.09 51.48 92.25 -3.18 51.09 92.13 -4.32 51.66 94.70 -3.18 51.30 95.00 -4.97 51.20 93.38 -5.40 49.69 93.48 3 0 23.23-999 ?-999 ?-999 ? CL CL A 384 mILE^B 304 -5.09 52.43 95.47 -5.98 52.65 95.07 -5.64 52.46 97.84 -6.84 52.75 97.77 -4.66 52.91 96.79 -4.54 54.46 96.92 3 0 21.33-999 ?-999 ?-999 ? CL CL A 384 mASP^B 305 -5.14 51.71 98.79 -4.18 51.46 98.67 -5.07 51.59 101.11 -4.30 50.73 101.55 -5.94 51.29 99.90 -6.28 49.81 99.79 2 0 21.01-999 ?-999 ?-999 ? CL CL A 384 mASP.B 306 -5.18 52.83 101.60 -5.89 53.38 101.14 -4.52 52.42 103.92 -3.60 52.21 104.69 -4.34 53.34 102.70 -4.64 54.84 103.01 2 0 20.74-999 ?-999 ?-999 ? CL CL A 384 mGLU.B 307 -5.69 51.79 104.02 -6.31 52.00 103.26 -5.34 49.51 105.07 -4.93 48.99 106.11 -6.04 50.89 105.13 -7.58 50.78 105.23 2 0 21.43-999 ?-999 ?-999 ? CL CL A 384 mHIS.B 308 -5.20 48.93 103.88 -5.59 49.47 103.14 -3.08 47.88 103.36 -2.31 46.95 103.22 -4.53 47.63 103.69 -5.18 46.85 102.51 3 0 24.67-999 ?-999 ?-999 ? CL CL A 384 mGLY.B 309 -2.71 49.14 103.16 -3.46 49.79 103.28 -0.97 49.16 101.36 0.17 48.76 101.10 -1.34 49.50 102.80-999.99-999.99-999.99 1 0 25.52-999 ?-999 ?-999 ? CL CL A 384 mILE^B 310 -1.92 49.34 100.44 -2.80 49.65 100.81 -1.52 50.42 98.31 -2.37 51.31 98.44 -1.67 49.09 99.03 -2.84 48.26 98.36 3 0 25.66-999 ?-999 ?-999 ? CL CL A 384 mASP^B 311 -0.45 50.52 97.54 0.23 49.80 97.70 0.52 51.10 95.36 1.75 51.20 95.34 -0.28 51.59 96.56 0.41 52.81 97.17 2 0 25.54-999 ?-999 ?-999 ? CL CL A 384 mALA^B 312 -0.19 50.58 94.35 -1.18 50.64 94.45 -0.35 50.07 91.95 -1.53 50.35 91.97 0.48 49.99 93.21 0.84 48.52 93.53 2 0 25.30-999 ?-999 ?-999 ? CL CL B 383 mVAL^B 313 0.30 49.80 90.83 1.28 49.70 90.96 -0.60 48.21 89.26 0.27 47.38 89.47 -0.36 49.66 89.54 0.45 50.24 88.41 3 0 22.26-999 ?-999 ?-999 ? CL CL B 383 mPHE^B 314 -1.82 47.91 88.85 -2.44 48.70 88.86 -2.76 46.60 86.97 -3.13 47.67 86.42 -2.24 46.57 88.40 -3.32 46.01 89.32 3 0 18.83-999 ?-999 ?-999 ? CL CL B 383 mPHE^B 315 -2.80 45.40 86.39 -2.59 44.63 86.99 -4.55 44.60 84.96 -4.83 43.64 85.64 -3.12 45.23 85.01 -2.00 44.38 84.35 3 0 15.41-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 316 -5.47 45.17 84.20 -5.15 45.96 83.67 -6.88 43.48 83.19 -6.64 43.69 82.01 -6.84 44.65 84.17 -7.83 45.76 83.74 3 0 12.81-999 ?-999 ?-999 ? CL CL B 383 mMET^B 317 -7.17 42.28 83.67 -7.38 42.28 84.65 -8.57 40.63 82.42 -8.75 39.94 81.44 -7.17 41.06 82.82 -6.48 39.94 83.57 2 0 9.66-999 ?-999 ?-999 ? CL CL B 383 mGLY^B 318 -9.55 41.02 83.24 -9.23 41.60 83.98 -11.86 41.72 83.66 -11.49 42.43 84.59 -10.95 40.65 83.09-999.99-999.99-999.99 1 0 8.69-999 ?-999 ?-999 ? CL CL B 383 mARG^B 319 -13.06 41.83 83.10 -13.30 41.09 82.47 -15.35 42.49 83.14 -15.68 41.95 82.09 -13.93 42.97 83.40 -13.51 44.19 82.55 2 0 10.55-999 ?-999 ?-999 ? CL CL B 383 mARG^B 320 -16.19 42.71 84.15 -15.80 43.14 84.96 -18.45 43.58 84.36 -18.49 44.07 85.51 -17.57 42.35 84.07 -17.81 41.21 85.05 2 0 12.07-999 ?-999 ?-999 ? CL CL B 383 mPHE^B 321 -19.17 44.03 83.32 -18.91 43.65 82.44 -21.48 44.32 84.02 -21.91 43.31 83.49 -20.25 45.01 83.49 -20.67 45.69 82.19 3 0 14.66-999 ?-999 ?-999 ? CL CL B 383 mMET^B 322 -22.03 44.88 85.08 -21.62 45.74 85.38 -24.26 45.34 86.03 -23.97 46.50 86.33 -23.16 44.28 85.75 -22.68 43.66 87.08 2 0 17.42-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 323 -25.50 44.91 85.89 -25.57 44.03 85.42 -27.46 44.65 87.14 -27.81 43.65 86.58 -26.65 45.63 86.38 -27.55 46.14 85.26 3 0 17.79-999 ?-999 ?-999 ? CL CL B 382 mSER^B 324 -27.82 44.98 88.39 -27.39 45.83 88.70 -29.85 45.10 89.85 -29.62 46.29 90.07 -28.77 44.19 89.22 -28.06 43.47 90.36 2 0 21.18-999 ?-999 ?-999 ? CL CL B 382 mARG.B 325 -31.01 44.54 90.14 -31.12 43.60 89.80 -31.42 45.80 92.24 -31.54 46.97 92.55 -32.01 45.31 90.92 -33.31 44.56 91.17 2 0 22.81-999 ?-999 ?-999 ? CL CL B 382 mMET.B 326 -30.73 44.93 92.96 -30.61 44.04 92.53 -29.03 46.23 94.27 -28.94 47.10 95.17 -30.20 45.27 94.26 -29.79 43.99 94.97 2 0 24.44-999 ?-999 ?-999 ? CL CL A 384 mASP.B 327 -28.09 46.10 93.32 -28.24 45.37 92.66 -26.83 47.97 92.17 -25.88 48.71 92.12 -26.94 47.01 93.34 -25.62 46.25 93.54 2 0 22.09-999 ?-999 ?-999 ? CL CL A 384 mGLY^B 328 -27.80 48.02 91.26 -28.57 47.39 91.42 -26.49 48.58 89.25 -26.06 47.42 89.22 -27.69 48.95 90.13-999.99-999.99-999.99 1 0 19.77-999 ?-999 ?-999 ? CL CL B 382 mTHR^B 329 -25.92 49.58 88.60 -26.29 50.48 88.80 -23.48 49.34 88.38 -23.19 50.21 89.19 -24.83 49.33 87.66 -24.81 50.35 86.48 2 0 17.18-999 ?-999 ?-999 ? CL CL B 382 mGLN^B 330 -22.69 48.31 88.09 -23.11 47.64 87.47 -20.40 47.54 87.61 -20.83 47.08 86.58 -21.35 48.18 88.63 -21.39 47.28 89.86 2 0 18.93-999 ?-999 ?-999 ? CL CL B 382 mTHR^B 331 -19.11 47.57 87.93 -18.91 48.13 88.73 -17.27 46.07 88.19 -16.76 46.61 89.16 -18.10 46.86 87.19 -17.25 47.77 86.33 2 0 17.02-999 ?-999 ?-999 ? CL CL B 383 mGLU^B 332 -17.16 44.77 87.93 -17.85 44.41 87.29 -14.85 44.01 87.71 -14.88 43.79 86.46 -16.12 43.96 88.54 -16.64 42.54 88.81 2 0 15.76-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 333 -13.74 44.34 88.39 -13.88 44.46 89.37 -11.47 43.46 88.33 -11.11 43.47 89.52 -12.45 44.52 87.79 -11.89 45.92 88.06 3 0 14.74-999 ?-999 ?-999 ? CL CL B 383 mARG^B 334 -11.04 42.55 87.46 -11.37 42.69 86.52 -8.77 41.83 87.43 -8.39 41.83 86.23 -10.17 41.44 87.86 -10.65 40.13 87.30 2 0 13.39-999 ?-999 ?-999 ? CL CL B 383 mLEU^B 335 -8.02 42.26 88.45 -8.41 42.06 89.36 -5.66 41.98 88.70 -5.76 41.19 89.62 -6.78 42.93 88.31 -6.76 44.23 89.16 3 0 15.10-999 ?-999 ?-999 ? CL CL B 383 mLYS^B 336 -4.59 42.08 87.95 -4.66 42.77 87.23 -2.15 42.06 88.44 -2.11 43.24 88.14 -3.40 41.24 88.18 -3.17 40.35 86.93 2 0 15.76-999 ?-999 ?-999 ? CL CL B 383 mGLU^B 337 -1.11 41.38 88.93 -1.32 40.45 89.22 0.68 42.56 87.72 0.61 41.94 86.64 0.22 41.95 89.04 1.21 40.90 89.52 2 0 18.70-999 ?-999 ?-999 ? CL CL B 383 mASP.B 338 1.20 43.79 87.81 1.28 44.15 88.75 2.87 43.94 85.97 3.71 43.37 86.64 1.61 44.53 86.62 1.84 46.00 86.98 2 0 18.97-999 ?-999 ?-999 ? CL CL B 383 mGLY.B 339 2.98 44.06 84.65 2.19 44.47 84.20 4.42 42.13 83.74 5.34 41.78 83.04 4.18 43.63 83.95-999.99-999.99-999.99 1 0 19.18-999 ?-999 ?-999 ? CL CL B 383 mILE.B 340 3.58 41.23 84.26 2.77 41.63 84.68 3.39 39.08 82.89 4.13 38.33 82.27 3.87 39.78 84.20 3.32 39.07 85.46 3 0 17.94-999 ?-999 ?-999 ? CL CL B 383 mTRP.B 341 2.16 39.34 82.48 1.68 40.04 83.02 2.20 39.14 80.05 2.49 40.34 79.89 1.58 38.67 81.34 0.08 38.93 81.32 3 0 14.45-999 ?-999 ?-999 ? CL CL B 383 mTHR.B 342 2.41 38.19 79.15 2.18 37.28 79.51 3.98 39.51 77.66 3.84 40.49 76.90 2.93 38.40 77.77 1.83 38.60 76.75 2 0 14.70-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 343 5.07 39.33 78.38 5.11 38.48 78.91 6.92 40.38 77.07 7.60 41.37 76.83 6.12 40.31 78.39 7.02 39.81 79.52 3 0 18.23-999 ?-999 ?-999 ? CL CL B 383 mASP.B 344 6.82 39.37 76.20 6.30 38.59 76.54 6.71 40.46 73.92 7.36 41.11 73.11 7.45 39.47 74.86 7.59 38.09 74.22 2 0 19.16-999 ?-999 ?-999 ? CL CL B 383 mALA.B 345 5.39 40.60 74.03 4.97 40.15 74.82 5.27 42.74 72.72 5.46 43.14 71.56 4.64 41.37 73.03 3.24 41.54 73.45 2 0 17.03-999 ?-999 ?-999 ? CL CL B 383 mTYR.B 346 5.57 43.47 73.78 5.36 43.02 74.65 7.15 44.96 74.85 6.77 45.47 75.92 6.16 44.80 73.69 5.10 45.88 73.89 3 0 19.60-999 ?-999 ?-999 ? CL CL B 383 mPRO.B 347 8.40 44.51 74.66 8.60 44.15 73.75 9.68 46.01 76.24 9.68 46.95 75.42 9.37 44.57 75.78 10.63 43.91 75.18 3 0 22.38-999 ?-999 ?-999 ? CL CL B 383