HEADER UNKNOWN FUNCTION 30-JUL-08 3DZM COMPND HYPOTHETICAL CONSERVED PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 SYNONYM: TTOA; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 262724; SOURCE 4 STRAIN: HB27; SOURCE 5 GENE: TT_C0834; SOURCE 6 EXPRESSION_SYSTEM: THERMUS THERMOPHILUS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 274; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HB8; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMK18 AUTHOR A.BROSIG,K.DIEDERICHS HET CA A 208 1 HET C8E A 209 21 HET C8E A 210 21 HET CA B 208 1 HET C8E B 209 21 HET C8E B 210 21 HET CA C 208 1 HET C8E C 209 21 HET C8E C 210 21 SSBOND 1 CYS A 159 CYS A 177 1555 1555 2.04 SSBOND 2 CYS B 159 CYS B 177 1555 1555 2.05 SSBOND 3 CYS C 159 CYS C 177 1555 1555 2.03 SITE 1 AC1 4 ASP A 45 LEU A 47 ASP A 49 GLU A 70 SITE 1 AC2 4 ASP B 45 LEU B 47 ASP B 49 GLU B 70 SITE 1 AC3 4 ASP C 45 LEU C 47 ASP C 49 GLU C 70 SITE 1 AC4 8 GLY A 14 SER A 44 ASN A 74 THR A 191 SITE 1 AC5 5 TYR A 154 GLN A 157 ASN A 187 GLN A 192 SITE 1 AC6 9 GLY B 14 SER B 44 ASN B 74 TYR B 154 SITE 1 AC7 6 TYR C 154 GLN C 157 ASN C 187 THR C 191 SITE 1 AC8 11 GLY C 14 SER C 44 ASP C 45 ASN C 74 SITE 1 AC9 7 TYR A 83 TYR B 154 PHE B 156 GLN B 157 mHIS.A 0 45.78 -35.38 -15.03 45.23 -35.93 -14.40 48.08 -34.58 -15.60 48.47 -34.84 -14.46 46.57 -34.58 -15.96 46.03 -33.14 -16.03 3 0 19.54-999 ?-999 ?-999 ? C20 C8E C 210 mALA.A 1 48.92 -34.36 -16.61 49.87 -34.25 -16.34 48.45 -35.69 -18.63 47.57 -36.02 -19.42 48.46 -34.30 -18.00 49.33 -33.34 -18.81 2 0 21.14-999 ?-999 ?-999 ? C20 C8E C 210 mALA.A 2 49.45 -36.50 -18.24 50.08 -36.04 -17.61 50.44 -38.03 -19.95 49.96 -37.70 -21.05 49.63 -37.90 -18.66 48.30 -38.61 -18.78 2 0 19.57-999 ?-999 ?-999 ? C20 C8E C 210 mLYS^A 3 51.68 -38.51 -19.82 51.89 -38.83 -18.90 52.84 -39.98 -21.50 53.49 -40.82 -20.89 52.63 -38.57 -20.93 53.95 -37.94 -20.51 2 0 22.06-999 ?-999 ?-999 ? C20 C8E C 210 mPHE^A 4 52.28 -40.21 -22.69 51.81 -39.42 -23.07 53.46 -41.58 -24.43 53.56 -40.70 -25.28 52.35 -41.51 -23.35 50.98 -41.88 -23.94 3 0 21.26-999 ?-999 ?-999 ? C20 C8E C 210 mSER^A 5 54.31 -42.61 -24.39 54.18 -43.25 -23.64 55.38 -44.14 -25.91 54.90 -45.06 -25.26 55.35 -42.73 -25.42 56.75 -42.35 -24.91 2 0 24.19-999 ?-999 ?-999 ? C20 C8E C 210 mVAL^A 6 55.94 -44.32 -27.09 56.21 -43.49 -27.57 57.67 -45.79 -27.64 58.38 -44.84 -28.00 56.15 -45.66 -27.60 55.43 -45.86 -29.00 3 0 24.41-999 ?-999 ?-999 ? C2 C8E C 209 mGLU^A 7 58.15 -46.96 -27.23 57.45 -47.65 -27.04 59.96 -48.46 -27.83 59.34 -49.51 -27.70 59.57 -47.20 -27.05 59.84 -47.35 -25.54 2 0 22.12-999 ?-999 ?-999 ? C17 C8E A 209 mALA^A 8 61.00 -48.36 -28.65 61.34 -47.42 -28.74 62.98 -49.76 -28.79 63.73 -48.80 -28.59 61.58 -49.53 -29.33 61.65 -49.30 -30.88 2 0 20.01-999 ?-999 ?-999 ? O18 C8E A 209 mGLY^A 9 63.35 -51.01 -28.56 62.64 -51.71 -28.68 65.30 -52.53 -28.75 64.60 -53.45 -29.11 64.71 -51.29 -28.16-999.99-999.99-999.99 1 0 17.25-999 ?-999 ?-999 ? C17 C8E A 209 mALA^A 10 66.62 -52.57 -28.83 67.07 -51.76 -28.46 68.41 -54.14 -28.45 68.96 -53.31 -27.74 67.31 -53.72 -29.40 67.90 -53.34 -30.78 2 0 15.13-999 ?-999 ?-999 ? O18 C8E A 209 mGLY^A 11 68.74 -55.42 -28.44 68.21 -56.01 -29.05 69.65 -57.28 -27.09 69.13 -58.16 -27.77 69.81 -55.88 -27.59-999.99-999.99-999.99 1 0 12.60-999 ?-999 ?-999 ? O18 C8E A 209 mPHE^A 12 70.12 -57.51 -25.88 70.39 -56.71 -25.35 69.10 -59.27 -24.41 68.80 -58.53 -23.47 70.21 -58.90 -25.42 71.63 -59.20 -24.92 3 0 9.23-999 ?-999 ?-999 ? O18 C8E A 209 mTYR^A 13 68.41 -60.38 -24.69 68.62 -60.76 -25.60 67.59 -62.50 -23.87 66.68 -63.18 -24.27 67.46 -61.00 -23.80 66.03 -60.61 -24.12 3 0 6.39-999 ?-999 ?-999 ? C17 C8E A 209 mGLY.A 14 68.74 -63.01 -23.48 69.39 -62.36 -23.08 69.30 -64.81 -25.06 69.25 -65.99 -25.42 69.00 -64.43 -23.63-999.99-999.99-999.99 1 0 -3.37-999 ?-999 ?-999 ? O18 C8E A 209s mGLY.A 15 69.62 -63.81 -25.86 69.80 -62.95 -25.40 69.48 -62.60 -27.86 68.99 -61.75 -27.14 69.71 -63.96 -27.30-999.99-999.99-999.99 1 0 5.65-999 ?-999 ?-999 ? O18 C8E A 209 mPHE^A 16 69.86 -62.37 -29.12 70.34 -63.12 -29.57 68.07 -60.98 -30.16 67.40 -61.98 -30.44 69.55 -61.07 -29.75 70.45 -60.78 -30.93 3 0 9.27-999 ?-999 ?-999 ? O18 C8E A 209 mGLY^A 17 67.56 -59.76 -30.15 68.19 -59.03 -29.91 65.85 -58.10 -30.21 66.75 -57.26 -30.27 66.16 -59.55 -30.47-999.99-999.99-999.99 1 0 10.84-999 ?-999 ?-999 ? O18 C8E A 209 mGLY^A 18 64.59 -57.79 -29.93 63.94 -58.55 -29.94 62.99 -56.37 -28.79 62.44 -57.44 -28.43 64.23 -56.43 -29.63-999.99-999.99-999.99 1 0 13.28-999 ?-999 ?-999 ? O18 C8E A 209 mGLN^A 19 62.57 -55.15 -28.43 63.22 -54.41 -28.59 60.53 -53.71 -28.27 61.15 -52.70 -28.58 61.25 -54.97 -27.84 61.26 -55.11 -26.31 2 0 14.91-999 ?-999 ?-999 ? O18 C8E A 209 mLEU^A 20 59.20 -53.79 -28.25 58.87 -54.72 -28.10 57.49 -52.46 -27.16 57.02 -53.44 -26.56 58.31 -52.65 -28.43 57.38 -52.91 -29.60 3 0 18.42-999 ?-999 ?-999 ? O18 C8E A 209 mALA^A 21 57.32 -51.22 -26.74 57.73 -50.52 -27.32 55.85 -49.66 -25.58 56.18 -48.79 -26.40 56.59 -50.97 -25.51 57.52 -51.00 -24.26 2 0 19.95-999 ?-999 ?-999 ? C17 C8E A 209 mVAL^A 22 54.81 -49.55 -24.76 54.53 -50.41 -24.33 54.42 -47.95 -23.05 54.34 -48.82 -22.18 54.15 -48.28 -24.50 52.62 -48.32 -24.84 3 0 19.94-999 ?-999 ?-999 ? C2 C8E C 209 mVAL^A 23 54.81 -46.71 -22.80 54.90 -46.16 -23.63 54.10 -45.08 -21.12 53.78 -44.26 -21.96 55.06 -46.20 -21.45 56.42 -45.52 -21.38 3 0 19.30-999 ?-999 ?-999 ? C2 C8E C 209 mALA^A 24 53.65 -45.03 -19.88 53.95 -45.79 -19.30 53.46 -43.39 -18.19 53.79 -44.13 -17.29 52.81 -43.94 -19.44 51.44 -44.45 -19.14 2 0 18.99-999 ?-999 ?-999 ? C2 C8E C 209 mGLU^A 25 53.68 -42.08 -18.15 53.32 -41.57 -18.93 53.79 -40.12 -16.75 53.02 -39.62 -17.57 54.38 -41.48 -17.03 55.88 -41.40 -17.33 2 0 20.33-999 ?-999 ?-999 ? C2 C8E C 209 mASP.A 26 54.12 -39.53 -15.60 54.86 -39.98 -15.10 51.93 -38.58 -15.04 51.14 -37.89 -15.67 53.43 -38.32 -15.13 53.70 -37.11 -16.05 2 0 22.04-999 ?-999 ?-999 ? C20 C8E C 210 mLEU.A 27 51.55 -39.59 -14.26 52.27 -39.97 -13.68 49.32 -39.22 -13.36 48.09 -39.36 -13.30 50.17 -40.08 -14.27 50.11 -41.52 -13.79 3 0 18.36-999 ?-999 ?-999 ? C20 C8E C 210 mALA.A 28 50.01 -38.34 -12.64 50.97 -38.28 -12.88 50.31 -36.38 -11.37 51.52 -36.49 -11.60 49.40 -37.55 -11.60 49.27 -38.37 -10.35 2 0 19.55-999 ?-999 ?-999 ? C20 C8E C 210 mPRO.A 29 49.74 -35.25 -10.93 48.75 -35.35 -10.85 51.64 -34.21 -9.69 52.73 -33.75 -10.02 50.43 -33.99 -10.60 49.35 -33.21 -9.86 3 0 22.88-999 ?-999 ?-999 ? C20 C8E C 210 mGLY.A 30 51.45 -34.91 -8.58 50.51 -35.23 -8.43 53.51 -36.31 -8.08 54.72 -36.18 -7.92 52.55 -35.18 -7.68-999.99-999.99-999.99 1 0 24.21-999 ?-999 ?-999 ? C2 C8E C 209 mLEU.A 31 52.95 -37.39 -8.64 52.03 -37.22 -8.98 54.74 -38.83 -9.78 54.65 -38.35 -10.90 53.63 -38.69 -8.75 52.60 -39.79 -9.06 3 0 21.02-999 ?-999 ?-999 ? C2 C8E C 209 mPRO.A 32 55.80 -39.54 -9.40 55.86 -39.78 -8.43 56.69 -41.40 -10.79 57.66 -41.98 -11.27 56.79 -39.90 -10.41 58.12 -39.58 -9.72 3 0 21.07-999 ?-999 ?-999 ? C2 C8E C 209 mLEU^A 33 55.51 -42.00 -10.59 54.88 -41.46 -10.02 55.09 -43.38 -12.64 54.77 -42.40 -13.32 55.17 -43.32 -11.12 53.84 -43.82 -10.58 3 0 17.38-999 ?-999 ?-999 ? C2 C8E C 209 mGLY^A 34 55.39 -44.56 -13.15 55.58 -45.25 -12.45 55.02 -46.29 -14.72 55.23 -47.08 -13.82 55.45 -44.86 -14.56-999.99-999.99-999.99 1 0 16.97-999 ?-999 ?-999 ? C2 C8E C 209 mVAL^A 35 54.40 -46.61 -15.85 54.22 -45.82 -16.43 54.49 -48.23 -17.63 54.37 -47.37 -18.48 54.03 -47.97 -16.20 52.53 -48.16 -16.04 3 0 14.55-999 ?-999 ?-999 ? C2 C8E C 209 mARG^A 36 55.09 -49.40 -17.86 55.22 -49.97 -17.05 54.94 -51.18 -19.53 55.10 -52.11 -18.73 55.51 -49.79 -19.19 57.05 -49.79 -19.32 2 0 15.78-999 ?-999 ?-999 ? C2 C8E C 209 mLEU^A 37 54.23 -51.30 -20.66 53.99 -50.43 -21.09 54.67 -52.84 -22.45 54.74 -51.96 -23.29 53.85 -52.62 -21.21 52.42 -52.66 -21.70 3 0 15.11-999 ?-999 ?-999 ? C2 C8E C 209 mGLY^A 38 55.25 -54.02 -22.60 55.01 -54.71 -21.92 56.15 -55.65 -24.19 55.78 -56.57 -23.45 56.17 -54.24 -23.69-999.99-999.99-999.99 1 0 17.41-999 ?-999 ?-999 ? C17 C8E A 209 mVAL^A 39 56.52 -55.83 -25.45 56.70 -55.00 -25.98 58.03 -57.34 -26.56 58.55 -56.42 -27.19 56.65 -57.17 -25.99 55.53 -57.53 -26.99 3 0 15.11-999 ?-999 ?-999 ? O21 C8E A 209 mGLY^A 40 58.66 -58.49 -26.27 58.15 -59.11 -25.68 60.02 -60.03 -27.66 59.35 -61.03 -27.38 59.98 -58.78 -26.79-999.99-999.99-999.99 1 0 12.19-999 ?-999 ?-999 ? O21 C8E A 209 mPHE^A 41 60.78 -59.96 -28.75 61.08 -59.04 -28.99 62.63 -61.28 -29.46 63.33 -60.26 -29.63 61.13 -61.15 -29.52 60.73 -61.01 -30.98 3 0 10.80-999 ?-999 ?-999 ? O21 C8E A 209 mALA^A 42 63.14 -62.50 -29.24 62.47 -63.22 -29.04 64.84 -64.11 -29.75 64.02 -64.98 -29.50 64.59 -62.72 -29.30 65.26 -62.49 -27.92 2 0 8.32-999 ?-999 ?-999 ? O18 C8E A 209 mTHR^A 43 66.00 -64.33 -30.37 66.49 -63.50 -30.64 66.87 -66.35 -29.33 67.22 -65.70 -28.35 66.48 -65.68 -30.63 67.77 -65.69 -31.42 2 0 7.61-999 ?-999 ?-999 ? O18 C8E A 209 mSER.A 44 66.88 -67.67 -29.34 66.58 -68.11 -30.19 67.78 -69.72 -28.62 67.48 -70.16 -29.70 67.29 -68.39 -28.17 66.13 -68.52 -27.18 2 0 -4.74-999 ?-999 ?-999 ? C19 C8E A 209s mASP.A 45 68.53 -70.37 -27.75 68.70 -69.86 -26.91 68.04 -72.69 -27.41 67.55 -72.49 -26.32 69.04 -71.69 -28.01 70.45 -71.75 -27.39 2 0 -5.02-999 ?-999 ?-999 ? CA CA A 208s mALA.A 46 67.71 -73.75 -28.13 68.19 -73.86 -29.00 67.19 -75.90 -26.83 66.65 -76.22 -25.77 66.69 -74.67 -27.61 65.67 -75.06 -28.70 2 0 5.80-999 ?-999 ?-999 ? CA CA A 208 mLEU.A 47 68.19 -76.61 -27.35 68.48 -76.30 -28.25 70.29 -77.52 -26.34 71.05 -77.11 -27.22 68.80 -77.73 -26.62 68.63 -79.08 -27.35 3 0 -4.78-999 ?-999 ?-999 ? CA CA A 208s mASP.A 48 70.68 -77.79 -25.09 69.92 -78.05 -24.50 73.02 -78.60 -25.46 72.92 -79.83 -25.45 72.06 -77.72 -24.62 72.05 -78.20 -23.17 2 0 4.90-999 ?-999 ?-999 ? CA CA A 208 mASP.A 49 73.94 -77.97 -26.20 73.96 -76.98 -26.10 75.67 -79.73 -26.28 76.03 -80.78 -26.78 74.83 -78.76 -27.08 75.72 -77.89 -27.98 2 0 -4.60-999 ?-999 ?-999 ? CA CA A 208s mGLY.A 50 75.96 -79.39 -25.03 75.55 -78.53 -24.73 76.12 -81.29 -23.43 76.73 -81.97 -22.62 76.82 -80.20 -24.20-999.99-999.99-999.99 1 0 8.12-999 ?-999 ?-999 ? CA CA A 208 mTYR.A 51 74.83 -81.48 -23.67 74.44 -80.86 -24.35 74.41 -83.88 -23.58 74.34 -84.04 -24.79 74.09 -82.52 -22.97 72.61 -82.23 -23.08 3 0 9.45-999 ?-999 ?-999 ? CA CA A 208 mASP.A 52 74.76 -84.87 -22.74 74.81 -84.62 -21.78 73.81 -87.14 -23.31 73.10 -87.32 -22.33 75.03 -86.21 -23.27 76.18 -86.89 -22.52 2 0 12.50-999 ?-999 ?-999 ? CA CA A 208 mLEU.A 53 73.61 -87.73 -24.48 74.30 -87.51 -25.17 72.97 -90.09 -24.77 72.17 -91.00 -25.07 72.50 -88.63 -24.74 71.93 -88.29 -26.11 3 0 13.87-999 ?-999 ?-999 ? CA CA A 208 mGLY.A 54 74.26 -90.31 -24.49 74.73 -89.50 -24.14 75.09 -92.39 -23.38 74.11 -92.65 -22.70 74.92 -91.60 -24.67-999.99-999.99-999.99 1 0 16.95-999 ?-999 ?-999 ? CA CA A 208 mGLY.A 55 76.32 -92.80 -23.04 76.35 -93.31 -22.19 78.08 -91.14 -23.54 77.40 -90.28 -22.97 77.51 -92.52 -23.82-999.99-999.99-999.99 1 0 18.60-999 ?-999 ?-999 ? CA CA A 208 mGLY.A 56 79.33 -90.92 -23.94 79.82 -91.71 -24.30 79.38 -88.64 -24.91 79.78 -87.47 -24.95 79.88 -89.58 -23.83-999.99-999.99-999.99 1 0 16.87-999 ?-999 ?-999 ? CA CA A 208 mTHR.A 57 78.52 -89.14 -25.79 78.17 -90.05 -25.55 77.02 -87.39 -26.73 75.98 -87.71 -26.14 78.12 -88.42 -27.00 77.72 -89.38 -28.15 2 0 14.39-999 ?-999 ?-999 ? CA CA A 208 mTHR~A 58 77.25 -86.16 -27.17 78.05 -86.08 -27.77 75.42 -84.65 -27.91 75.55 -85.09 -29.06 76.40 -85.04 -26.81 77.26 -83.83 -26.41 2 0 10.68-999 ?-999 ?-999 ? CA CA A 208 mTRP~A 59 74.42 -83.83 -27.57 74.38 -83.58 -26.60 74.19 -82.53 -29.62 73.80 -82.49 -30.78 73.47 -83.37 -28.58 72.32 -82.56 -27.97 3 0 8.05-999 ?-999 ?-999 ? CA CA A 208 mGLY~A 60 75.24 -81.85 -29.20 75.40 -81.88 -28.21 76.74 -82.06 -31.13 76.94 -81.70 -32.28 76.07 -81.13 -30.14-999.99-999.99-999.99 1 0 6.96-999 ?-999 ?-999 ? CA CA A 208 mASP~A 61 77.08 -83.27 -30.67 76.83 -83.42 -29.71 76.82 -84.85 -32.56 77.19 -84.94 -33.72 77.75 -84.27 -31.50 78.34 -85.42 -30.67 2 0 10.72-999 ?-999 ?-999 ? CA CA A 208 mVAL~A 62 75.62 -85.25 -32.14 75.44 -85.10 -31.16 74.08 -84.82 -34.03 73.69 -85.14 -35.15 74.65 -85.86 -33.07 73.52 -86.65 -32.34 3 0 11.48-999 ?-999 ?-999 ? CA CA A 208 mLYS~A 63 74.06 -83.58 -33.59 74.36 -83.46 -32.64 74.52 -82.42 -35.69 74.02 -82.32 -36.80 73.63 -82.49 -34.44 73.62 -81.17 -33.67 2 0 9.07-999 ?-999 ?-999 ? CA CA A 208 mGLU~A 64 75.83 -82.51 -35.49 76.10 -82.58 -34.53 76.61 -83.73 -37.51 76.57 -83.63 -38.74 76.77 -82.50 -36.61 78.21 -82.44 -36.08 2 0 11.37-999 ?-999 ?-999 ? CA CA A 208 mALA~A 65 76.50 -84.90 -36.87 76.51 -84.82 -35.87 75.26 -86.19 -38.58 75.45 -86.67 -39.71 76.39 -86.17 -37.56 76.21 -87.29 -36.55 2 0 14.39-999 ?-999 ?-999 ? CA CA A 208 mGLY~A 66 74.10 -85.68 -38.18 74.13 -85.28 -37.26 72.54 -84.37 -39.66 71.52 -84.27 -40.34 72.89 -85.69 -39.00-999.99-999.99-999.99 1 0 14.40-999 ?-999 ?-999 ? CA CA A 208 mLYS~A 67 73.36 -83.35 -39.45 74.09 -83.55 -38.79 71.86 -81.35 -39.83 71.33 -80.59 -40.64 73.21 -82.07 -40.14 73.51 -82.26 -41.64 2 0 13.07-999 ?-999 ?-999 ? CA CA A 208 mPHE.A 68 71.34 -81.57 -38.62 71.89 -82.19 -38.06 70.21 -79.46 -37.86 71.24 -79.01 -37.37 70.10 -80.96 -38.15 69.62 -81.68 -36.89 3 0 10.98-999 ?-999 ?-999 ? CA CA A 208 mSER^A 69 69.15 -78.71 -38.16 68.40 -79.23 -38.57 68.35 -76.97 -36.62 67.18 -77.30 -36.52 69.09 -77.26 -37.91 68.33 -76.54 -39.03 2 0 9.71-999 ?-999 ?-999 ? CA CA A 208 mGLU^A 70 69.02 -76.34 -35.66 69.98 -76.18 -35.87 67.88 -74.51 -34.54 68.45 -73.69 -35.24 68.39 -75.94 -34.41 69.38 -76.03 -33.26 2 0 -6.75-999 ?-999 ?-999 ? CA CA A 208s mTRP^A 71 66.78 -74.23 -33.85 66.38 -75.00 -33.35 65.54 -72.71 -32.46 65.12 -73.68 -31.85 66.24 -72.89 -33.83 65.28 -72.72 -35.03 3 0 8.18-999 ?-999 ?-999 ? CA CA A 208 mGLY^A 72 65.43 -71.49 -31.96 65.85 -70.77 -32.52 64.29 -69.80 -30.62 64.92 -68.93 -31.18 64.73 -71.23 -30.71-999.99-999.99-999.99 1 0 7.13-999 ?-999 ?-999 ? O21 C8E A 209 mGLN^A 73 63.20 -69.53 -29.93 62.69 -70.32 -29.59 62.11 -67.91 -28.39 61.59 -68.88 -27.80 62.82 -68.14 -29.72 61.97 -67.66 -30.86 2 0 6.49-999 ?-999 ?-999 ? O21 C8E A 209 mASN^A 74 62.13 -66.66 -27.90 62.75 -66.05 -28.39 60.50 -65.06 -27.16 61.04 -64.12 -27.76 61.31 -66.23 -26.75 62.15 -65.86 -25.53 2 0 -5.86-999 ?-999 ?-999 ? O21 C8E A 209s mVAL^A 75 59.20 -65.13 -26.86 58.89 -66.04 -26.58 57.88 -63.68 -25.52 57.45 -64.56 -24.80 58.31 -63.98 -26.96 57.10 -64.23 -27.91 3 0 9.38-999 ?-999 ?-999 ? O21 C8E A 209 mTHR^A 76 58.04 -62.43 -25.10 58.23 -61.78 -25.84 57.03 -60.85 -23.55 57.33 -59.76 -24.07 57.94 -62.04 -23.71 59.30 -61.60 -23.18 2 0 10.41-999 ?-999 ?-999 ? O21 C8E A 209 mLEU^A 77 55.92 -61.05 -22.84 55.78 -62.00 -22.57 55.37 -59.54 -21.12 55.54 -60.37 -20.23 55.01 -59.96 -22.50 53.57 -60.43 -22.55 3 0 14.03-999 ?-999 ?-999 ? O21 C8E A 209 mSER^A 78 55.51 -58.25 -20.94 55.28 -57.68 -21.74 55.19 -56.48 -19.21 54.71 -55.69 -20.01 55.97 -57.73 -19.67 57.48 -57.47 -19.74 2 0 13.27-999 ?-999 ?-999 ? C1 C8E C 209 mLEU^A 79 55.06 -56.33 -17.90 55.35 -57.13 -17.37 55.49 -54.66 -16.20 55.87 -55.46 -15.35 54.53 -55.12 -17.30 53.15 -55.37 -16.69 3 0 11.44-999 ?-999 ?-999 ? C2 C8E C 209 mASP^A 80 55.89 -53.39 -16.25 55.50 -52.86 -17.01 56.22 -51.60 -14.62 55.72 -50.72 -15.29 56.82 -52.81 -15.28 58.12 -52.30 -15.93 2 0 12.64-999 ?-999 ?-999 ? C2 C8E C 209 mVAL^A 81 56.33 -51.53 -13.30 56.57 -52.39 -12.86 57.46 -49.62 -12.41 58.39 -50.26 -11.93 56.11 -50.29 -12.59 55.45 -50.56 -11.22 3 0 12.53-999 ?-999 ?-999 ? C2 C8E C 209 mLEU^A 82 57.56 -48.36 -12.85 56.70 -48.03 -13.25 58.59 -46.43 -11.77 57.54 -45.84 -11.70 58.76 -47.54 -12.78 59.00 -46.86 -14.13 3 0 15.89-999 ?-999 ?-999 ? C1 C8E A 210 mTYR^A 83 59.62 -46.13 -11.00 60.38 -46.77 -11.06 60.75 -43.99 -10.51 61.88 -44.42 -10.65 59.61 -44.94 -10.15 59.70 -45.36 -8.68 3 0 -17.77-999 ?-999 ?-999 ? C1 C8E A 210s mLYS.A 84 60.49 -42.71 -10.67 59.53 -42.47 -10.55 61.97 -40.82 -9.87 61.26 -39.85 -9.59 61.58 -41.74 -11.00 61.19 -40.85 -12.19 2 0 20.72-999 ?-999 ?-999 ? C1 C8E A 210 mPRO.A 85 63.13 -41.05 -9.26 63.64 -41.83 -9.62 63.60 -38.69 -8.53 63.98 -38.36 -9.63 63.58 -40.18 -8.16 65.01 -40.65 -7.89 3 0 22.12-999 ?-999 ?-999 ? C1 C8E A 210 mSER.A 86 63.19 -37.80 -7.62 62.86 -38.21 -6.77 64.60 -35.74 -7.48 65.38 -36.35 -6.74 63.25 -36.36 -7.87 62.12 -35.62 -7.14 2 0 25.96-999 ?-999 ?-999 ? C1 C8E A 210 mGLY.A 87 64.85 -34.52 -7.97 64.11 -34.14 -8.53 67.26 -34.79 -7.83 68.05 -34.94 -6.89 66.10 -33.82 -7.71-999.99-999.99-999.99 1 0 26.96-999 ?-999 ?-999 ? CA CA B 208 mLEU.A 88 67.33 -35.47 -8.97 66.71 -35.14 -9.68 69.56 -36.46 -8.37 69.79 -37.24 -7.45 68.25 -36.60 -9.16 68.49 -36.88 -10.66 3 0 25.25-999 ?-999 ?-999 ? CA CA B 208 mGLY.A 89 70.43 -35.49 -8.70 71.22 -35.46 -8.10 71.22 -34.88 -10.95 72.38 -34.46 -10.93 70.25 -34.57 -9.81-999.99-999.99-999.99 1 0 22.69-999 ?-999 ?-999 ? CA CA B 208 mLEU.A 90 70.73 -35.62 -11.95 69.76 -35.84 -11.85 70.98 -35.57 -14.40 69.80 -35.23 -14.47 71.55 -36.06 -13.07 71.65 -37.59 -13.06 3 0 21.24-999 ?-999 ?-999 ? C19 C8E B 209 mPRO.A 91 71.81 -35.54 -15.45 72.76 -35.80 -15.25 70.51 -36.28 -17.37 69.66 -36.08 -18.25 71.33 -35.13 -16.78 72.62 -34.95 -17.59 3 0 19.79-999 ?-999 ?-999 ? C19 C8E B 209 mVAL.A 92 70.77 -37.48 -16.88 71.53 -37.50 -16.22 68.97 -39.01 -16.21 69.26 -39.04 -15.01 70.02 -38.66 -17.26 70.97 -39.85 -17.46 3 0 21.76-999 ?-999 ?-999 ? C19 C8E B 209 mGLU^A 93 67.75 -39.26 -16.65 67.59 -39.01 -17.60 66.99 -41.37 -15.57 67.15 -42.09 -16.54 66.75 -39.85 -15.78 65.36 -39.58 -16.34 2 0 23.73-999 ?-999 ?-999 ? C1 C8E A 210 mVAL^A 94 67.07 -41.83 -14.32 67.06 -41.12 -13.62 65.95 -43.75 -13.23 65.65 -43.18 -12.20 67.15 -43.28 -14.02 68.39 -43.65 -13.19 3 0 20.06-999 ?-999 ?-999 ? C1 C8E A 210 mPRO^A 96 64.39 -47.01 -11.44 64.56 -46.23 -10.83 62.88 -48.96 -11.36 61.87 -48.29 -11.26 64.24 -48.39 -10.98 64.31 -48.24 -9.46 3 0 14.09-999 ?-999 ?-999 ? C1 C8E A 210 mTYR^A 97 62.83 -50.22 -11.73 63.71 -50.69 -11.81 61.52 -52.23 -11.52 62.56 -52.85 -11.42 61.52 -50.81 -12.01 61.10 -50.70 -13.52 3 0 12.02-999 ?-999 ?-999 ? C1 C8E A 210 mPHE^A 98 60.32 -52.70 -11.20 59.62 -51.99 -11.11 58.84 -54.56 -11.84 57.96 -53.77 -12.16 60.06 -54.12 -11.01 59.79 -54.40 -9.54 3 0 9.02-999 ?-999 ?-999 ? C1 C8E A 210 mGLY^A 99 58.78 -55.82 -12.18 59.55 -56.40 -11.92 57.36 -57.73 -13.01 58.13 -58.57 -12.57 57.59 -56.25 -12.88-999.99-999.99-999.99 1 0 9.17-999 ?-999 ?-999 ? C1 C8E A 210 mVAL^A 100 56.27 -58.04 -13.69 55.78 -57.22 -14.00 56.03 -59.67 -15.48 56.02 -58.77 -16.31 55.82 -59.38 -13.97 54.34 -59.46 -13.51 3 0 9.29-999 ?-999 ?-999 ? C1 C8E C 209 mARG^A 101 56.28 -60.92 -15.84 56.31 -61.56 -15.07 55.71 -62.57 -17.62 55.44 -63.41 -16.76 56.49 -61.31 -17.26 57.94 -61.67 -17.57 2 0 10.78-999 ?-999 ?-999 ? C1 C8E A 210 mTYR^A 102 55.37 -62.69 -18.90 55.51 -61.86 -19.44 55.61 -64.25 -20.70 55.60 -63.48 -21.66 54.84 -63.93 -19.44 53.33 -63.84 -19.72 3 0 12.64-999 ?-999 ?-999 ? O21 C8E A 209 mASN^A 103 56.31 -65.38 -20.68 56.23 -65.90 -19.84 56.60 -66.98 -22.60 56.15 -68.00 -22.05 57.13 -65.79 -21.82 58.51 -66.15 -21.33 2 0 9.21-999 ?-999 ?-999 ? O21 C8E A 209 mPHE^A 104 56.70 -66.86 -23.92 56.97 -65.94 -24.22 57.72 -68.47 -25.43 58.27 -67.86 -26.33 56.43 -67.98 -24.82 55.32 -67.60 -25.83 3 0 9.10-999 ?-999 ?-999 ? O21 C8E A 209 mPHE^A 105 58.24 -69.56 -24.88 57.73 -69.88 -24.08 59.09 -71.32 -26.40 58.14 -72.06 -26.23 59.42 -70.22 -25.41 60.26 -70.84 -24.28 3 0 6.22-999 ?-999 ?-999 ? O21 C8E A 209 mSER^A 106 59.91 -71.43 -27.43 60.59 -70.70 -27.49 61.04 -72.73 -29.26 61.66 -71.79 -29.71 59.80 -72.53 -28.38 58.56 -72.38 -29.26 2 0 7.87-999 ?-999 ?-999 ? O21 C8E A 209 mGLY^A 107 61.40 -73.98 -29.50 60.93 -74.66 -28.94 62.45 -75.77 -30.77 61.53 -76.50 -30.45 62.40 -74.29 -30.50-999.99-999.99-999.99 1 0 8.81-999 ?-999 ?-999 ? O21 C8E A 209 mGLY^A 108 63.55 -76.20 -31.34 64.22 -75.48 -31.53 64.68 -77.67 -32.88 65.49 -76.76 -33.10 63.77 -77.60 -31.68-999.99-999.99-999.99 1 0 9.22-999 ?-999 ?-999 ? CA CA A 208 mTYR^A 109 64.55 -78.72 -33.67 63.86 -79.38 -33.38 64.60 -79.39 -36.08 63.53 -79.99 -35.95 65.38 -78.88 -34.87 66.55 -79.81 -34.58 3 0 9.75-999 ?-999 ?-999 ? CA CA A 208 mTHR^A 110 65.14 -79.13 -37.26 65.94 -78.53 -37.24 65.61 -80.56 -39.10 66.81 -80.45 -38.82 64.57 -79.69 -38.47 64.14 -78.64 -39.50 2 0 12.99-999 ?-999 ?-999 ? CA CA A 208 mASP.A 111 65.13 -81.43 -39.97 64.16 -81.33 -40.17 66.02 -82.20 -42.10 65.33 -82.87 -42.87 65.96 -82.44 -40.59 65.36 -83.80 -40.24 2 0 15.01-999 ?-999 ?-999 ? CA CA A 208 mPRO.A 112 66.85 -81.21 -42.52 67.40 -80.80 -41.79 67.71 -81.83 -44.74 67.79 -81.71 -45.96 66.96 -80.79 -43.92 67.78 -79.49 -43.84 3 0 16.79-999 ?-999 ?-999 ? CA CA A 208 mGLU.A 113 68.25 -82.83 -44.03 68.20 -82.66 -43.05 70.41 -83.98 -44.61 71.00 -82.90 -44.73 68.86 -84.04 -44.60 68.28 -84.36 -45.96 2 0 18.21-999 ?-999 ?-999 ? CA CA A 208 mASP.A 114 71.08 -85.14 -44.51 72.05 -85.01 -44.30 69.76 -87.09 -43.44 68.94 -86.44 -42.79 70.46 -86.47 -44.68 71.50 -87.46 -45.26 2 0 19.33-999 ?-999 ?-999 ? CA CA A 208 mASN.A 115 70.08 -88.35 -43.17 70.83 -88.67 -43.75 68.10 -88.83 -41.46 67.36 -88.01 -41.97 69.44 -89.21 -42.14 70.48 -89.68 -41.10 2 0 19.31-999 ?-999 ?-999 ? CA CA A 208 mLEU.A 116 67.80 -89.53 -40.35 68.44 -90.28 -40.22 65.26 -89.14 -39.98 64.88 -88.06 -40.41 66.68 -89.25 -39.41 66.94 -87.97 -38.60 3 0 18.24-999 ?-999 ?-999 ? CA CA A 208 mTHR.A 117 64.46 -90.21 -39.91 64.65 -90.84 -39.16 63.57 -89.22 -41.87 64.50 -89.23 -42.68 63.40 -90.39 -40.90 61.95 -90.57 -40.30 2 0 21.14-999 ?-999 ?-999 ? CA CA A 208 mILE.A 118 62.68 -88.24 -41.79 61.80 -88.55 -41.43 61.76 -86.10 -41.56 60.64 -86.62 -41.60 62.93 -86.84 -42.18 62.90 -86.55 -43.71 3 0 19.84-999 ?-999 ?-999 ? CA CA A 208 mLYS.A 119 61.98 -84.93 -40.98 62.90 -84.54 -41.08 61.23 -82.98 -39.50 61.96 -82.10 -40.00 60.88 -84.29 -40.26 60.35 -85.33 -39.27 2 0 18.36-999 ?-999 ?-999 ? CA CA A 208 mALA^A 120 60.72 -82.88 -38.28 60.26 -83.72 -37.97 60.37 -82.03 -36.05 59.40 -82.75 -35.84 60.81 -81.68 -37.46 59.90 -80.57 -38.00 2 0 15.61-999 ?-999 ?-999 ? CA CA A 208 mGLN^A 121 61.09 -81.51 -35.07 61.92 -81.03 -35.35 60.69 -80.33 -32.95 61.62 -79.53 -33.11 60.67 -81.67 -33.70 61.53 -82.70 -33.02 2 0 14.03-999 ?-999 ?-999 ? CA CA A 208 mTHR^A 122 59.64 -80.07 -32.18 59.00 -80.83 -32.06 59.06 -78.91 -30.13 58.19 -79.68 -29.84 59.48 -78.76 -31.56 58.40 -77.94 -32.29 2 0 13.50-999 ?-999 ?-999 ? CA CA A 208 mILE^A 123 59.67 -78.16 -29.25 60.44 -77.64 -29.62 58.83 -76.68 -27.44 59.25 -75.71 -28.04 59.26 -78.11 -27.85 60.37 -78.66 -26.95 3 0 11.01-999 ?-999 ?-999 ? O21 C8E A 210 mSER^A 124 57.97 -76.57 -26.44 57.80 -77.45 -26.00 57.15 -75.23 -24.51 56.91 -76.25 -23.85 57.35 -75.30 -26.04 55.99 -75.16 -26.70 2 0 10.25-999 ?-999 ?-999 ? O21 C8E A 209 mSER^A 125 57.26 -74.03 -23.96 57.57 -73.31 -24.59 56.45 -72.39 -22.40 57.06 -71.46 -22.90 56.95 -73.80 -22.57 58.19 -74.03 -21.70 2 0 9.61-999 ?-999 ?-999 ? O21 C8E A 210 mASN^A 126 55.34 -72.22 -21.69 54.88 -73.07 -21.43 55.07 -70.60 -19.90 54.52 -71.31 -19.06 54.85 -70.88 -21.36 53.38 -70.73 -21.66 2 0 10.93-999 ?-999 ?-999 ? O21 C8E A 209 mGLN^A 127 55.84 -69.56 -19.58 56.13 -68.98 -20.34 55.86 -68.01 -17.65 55.84 -67.03 -18.35 56.21 -69.35 -18.19 57.68 -69.64 -17.96 2 0 9.90-999 ?-999 ?-999 ? O15 C8E A 210 mLEU^A 128 55.59 -68.00 -16.36 55.57 -68.90 -15.94 56.70 -66.36 -15.02 57.40 -67.17 -14.47 55.35 -66.79 -15.62 54.27 -67.06 -14.56 3 0 10.20-999 ?-999 ?-999 ? O12 C8E A 210 mGLY^A 129 57.09 -65.11 -15.21 56.47 -64.56 -15.78 58.21 -63.31 -13.76 57.23 -62.56 -13.82 58.31 -64.58 -14.62-999.99-999.99-999.99 1 0 7.87-999 ?-999 ?-999 ? C1 C8E A 210 mLEU^A 130 59.24 -63.07 -12.97 59.90 -63.83 -12.91 60.70 -61.18 -12.53 61.66 -61.86 -12.89 59.38 -61.80 -12.24 59.29 -62.01 -10.76 3 0 5.11-999 ?-999 ?-999 ? C1 C8E A 210 mGLY^A 131 60.77 -59.87 -12.37 59.94 -59.42 -12.04 62.13 -57.78 -12.17 61.17 -57.13 -11.73 62.01 -59.19 -12.67-999.99-999.99-999.99 1 0 5.02-999 ?-999 ?-999 ? C1 C8E A 210 mLEU^A 132 63.35 -57.29 -12.32 63.89 -57.83 -12.97 64.77 -55.39 -12.70 65.41 -56.02 -13.56 63.89 -56.11 -11.65 64.80 -56.61 -10.52 3 0 6.79-999 ?-999 ?-999 ? C1 C8E A 210 mGLY^A 133 64.85 -54.08 -12.65 64.24 -53.61 -12.02 65.89 -51.96 -13.37 65.12 -51.37 -12.60 65.83 -53.45 -13.52-999.99-999.99-999.99 1 0 10.29-999 ?-999 ?-999 ? C1 C8E A 210 mVAL^A 134 66.82 -51.35 -14.10 67.47 -51.97 -14.54 66.69 -49.45 -15.66 67.24 -50.07 -16.58 66.85 -49.89 -14.22 68.11 -49.23 -13.55 3 0 13.96-999 ?-999 ?-999 ? C1 C8E A 210 mARG^A 135 65.94 -48.37 -15.84 65.52 -48.05 -15.00 66.32 -46.32 -17.14 65.90 -45.46 -16.35 65.74 -47.73 -17.14 64.26 -47.66 -17.44 2 0 16.91-999 ?-999 ?-999 ? C1 C8E A 210 mALA^A 136 67.29 -46.08 -18.01 67.57 -46.87 -18.54 67.32 -44.04 -19.40 67.21 -44.64 -20.47 67.89 -44.74 -18.16 69.42 -44.83 -18.22 2 0 19.32-999 ?-999 ?-999 ? C1 C8E A 209 mALA^A 137 66.90 -42.79 -19.24 66.95 -42.44 -18.30 67.16 -40.69 -20.50 67.36 -40.02 -19.52 66.42 -42.01 -20.39 64.95 -41.78 -20.29 2 0 22.85-999 ?-999 ?-999 ? C1 C8E A 209 mTYR^A 138 67.59 -40.35 -21.72 67.40 -41.05 -22.42 67.56 -38.36 -23.15 67.48 -38.89 -24.23 68.26 -39.09 -22.01 69.72 -39.35 -22.40 3 0 22.58-999 ?-999 ?-999 ? C16 C8E B 209 mPRO^A 139 67.08 -37.12 -22.92 67.21 -36.82 -21.97 67.33 -35.91 -25.10 68.36 -35.28 -24.91 66.42 -36.28 -23.94 66.06 -35.02 -23.17 3 0 23.77-999 ?-999 ?-999 ? C16 C8E B 209 mLEU^A 140 66.96 -36.28 -26.31 66.04 -36.66 -26.35 67.37 -34.98 -28.36 68.12 -34.05 -28.63 67.84 -36.12 -27.46 67.79 -37.41 -28.28 3 0 22.55-999 ?-999 ?-999 ? C16 C8E B 209 mMET^A 141 66.13 -35.08 -28.83 65.67 -35.92 -28.54 64.08 -33.88 -29.14 63.68 -34.51 -28.18 65.50 -34.09 -29.68 65.46 -34.61 -31.12 2 0 25.09-999 ?-999 ?-999 ? C16 C8E B 209 mPRO.A 142 63.31 -32.97 -29.76 63.79 -32.41 -30.44 61.14 -34.17 -29.49 61.02 -34.75 -30.57 61.89 -32.84 -29.43 61.36 -31.94 -30.55 3 0 28.60-999 ?-999 ?-999 ? C16 C8E B 209 mASN.A 143 60.63 -34.63 -28.34 60.89 -34.09 -27.54 60.49 -37.12 -28.45 59.88 -38.15 -28.67 59.76 -35.81 -28.27 58.63 -35.72 -29.30 2 0 30.60-999 ?-999 ?-999 ? C16 C8E B 209 mLEU^A 144 61.82 -37.07 -28.34 62.19 -36.18 -28.09 63.74 -38.36 -27.53 64.48 -37.42 -27.32 62.64 -38.25 -28.58 63.26 -38.20 -29.97 3 0 28.10-999 ?-999 ?-999 ? C16 C8E B 209 mSER^A 145 63.82 -39.50 -26.85 63.07 -40.15 -27.00 65.63 -41.05 -26.20 65.00 -42.01 -26.63 64.96 -39.73 -25.95 64.60 -39.60 -24.46 2 0 25.86-999 ?-999 ?-999 ? C16 C8E B 209 mLEU^A 146 66.93 -41.06 -25.94 67.33 -40.15 -25.79 67.32 -43.03 -24.62 67.15 -42.44 -23.56 67.71 -42.27 -25.89 69.19 -41.91 -25.87 3 0 24.00-999 ?-999 ?-999 ? C16 C8E B 209 mVAL^A 147 67.14 -44.34 -24.74 67.28 -44.70 -25.66 67.70 -46.35 -23.43 67.95 -47.07 -24.38 66.77 -45.16 -23.58 65.35 -45.70 -23.69 3 0 21.21-999 ?-999 ?-999 ? C1 C8E A 209 mGLY^A 148 68.20 -46.55 -22.22 67.94 -45.84 -21.56 68.29 -48.53 -20.84 67.62 -48.02 -19.95 69.03 -47.69 -21.86-999.99-999.99-999.99 1 0 17.63-999 ?-999 ?-999 ? C1 C8E A 209 mASP^A 149 68.39 -49.85 -20.98 68.98 -50.17 -21.72 68.49 -51.93 -19.70 68.87 -52.70 -20.60 67.67 -50.71 -20.07 66.40 -51.17 -20.74 2 0 14.79-999 ?-999 ?-999 ? C1 C8E A 209 mLEU^A 150 68.77 -52.08 -18.40 68.53 -51.29 -17.84 68.50 -53.92 -16.77 68.15 -53.26 -15.79 69.37 -53.29 -17.85 70.74 -52.99 -17.26 3 0 11.09-999 ?-999 ?-999 ? C1 C8E A 209 mGLY^A 151 68.17 -55.20 -16.94 68.47 -55.62 -17.80 67.67 -57.39 -15.87 68.40 -57.92 -16.69 67.42 -55.91 -15.92-999.99-999.99-999.99 1 0 9.44-999 ?-999 ?-999 ? C2 C8E A 209 mVAL^A 152 67.10 -58.05 -14.87 66.58 -57.47 -14.26 65.86 -60.04 -14.42 65.08 -59.40 -13.69 67.24 -59.51 -14.71 68.24 -59.89 -13.58 3 0 6.74-999 ?-999 ?-999 ? C2 C8E A 209 mASP^A 153 65.50 -61.16 -15.05 66.22 -61.54 -15.63 64.39 -63.17 -14.42 65.35 -63.82 -14.85 64.17 -61.76 -14.87 63.37 -61.81 -16.17 2 0 6.04-999 ?-999 ?-999 ? C1 C8E A 210 mTYR^A 154 63.49 -63.66 -13.58 62.84 -62.99 -13.22 62.19 -65.72 -13.70 61.12 -65.19 -13.46 63.50 -65.07 -13.24 63.66 -65.28 -11.74 3 0 -5.14-999 ?-999 ?-999 ? C1 C8E A 210s mTYR^A 155 62.29 -66.89 -14.34 63.23 -67.18 -14.51 60.94 -69.00 -13.99 61.87 -69.78 -13.85 61.11 -67.67 -14.73 61.10 -67.93 -16.24 3 0 6.68-999 ?-999 ?-999 ? O12 C8E A 210 mPHE.A 156 59.72 -69.24 -13.52 59.10 -68.46 -13.63 59.17 -71.61 -13.96 58.50 -71.43 -14.98 59.34 -70.51 -12.92 58.04 -70.32 -12.13 3 0 4.15-999 ?-999 ?-999 ? O12 C8E A 210 mGLN.A 157 59.75 -72.76 -13.70 60.32 -72.77 -12.88 58.08 -74.25 -14.72 57.31 -74.21 -13.76 59.56 -73.91 -14.57 60.33 -75.14 -14.06 2 0 -3.87-999 ?-999 ?-999 ? O15 C8E A 210s mALA.A 158 57.73 -74.58 -15.95 58.49 -74.59 -16.60 56.36 -76.21 -17.11 57.38 -76.88 -17.25 56.38 -74.89 -16.34 55.90 -73.81 -17.22 2 0 7.48-999 ?-999 ?-999 ? O15 C8E A 210 mCSS.A 159 55.20 -76.58 -17.63 54.43 -75.98 -17.42 55.82 -77.57 -19.78 55.98 -76.44 -20.23 55.11 -77.78 -18.45 53.63 -78.16 -18.66 2 0 10.19-999 ?-999 ?-999 ? O15 C8E A 210 mPHE^A 160 56.25 -78.67 -20.40 56.19 -79.49 -19.84 55.84 -79.39 -22.72 55.28 -80.41 -22.36 56.77 -78.66 -21.77 58.10 -79.38 -21.84 3 0 9.54-999 ?-999 ?-999 ? O21 C8E A 210 mTHR^A 161 55.72 -78.91 -23.95 56.22 -78.07 -24.12 55.73 -79.90 -26.17 56.26 -78.99 -26.79 54.89 -79.58 -24.95 53.76 -78.68 -25.36 2 0 12.67-999 ?-999 ?-999 ? O21 C8E A 210 mARG^A 162 55.88 -81.18 -26.51 55.42 -81.80 -25.87 55.69 -81.93 -28.90 54.62 -82.50 -28.75 56.63 -81.63 -27.70 57.56 -82.83 -27.35 2 0 13.59-999 ?-999 ?-999 ? O21 C8E A 210 mVAL^A 163 56.08 -81.51 -30.09 56.89 -80.93 -30.07 56.38 -82.41 -32.34 57.24 -81.65 -32.79 55.38 -81.89 -31.32 54.58 -80.70 -31.95 3 0 16.95-999 ?-999 ?-999 ? O21 C8E A 210 mGLU^A 164 56.26 -83.69 -32.70 55.63 -84.21 -32.13 56.14 -84.24 -35.07 54.95 -84.44 -34.98 57.01 -84.27 -33.82 57.39 -85.73 -33.55 2 0 18.32-999 ?-999 ?-999 ? CA CA A 208 mGLU^A 165 56.73 -84.00 -36.23 57.69 -83.73 -36.16 56.77 -85.00 -38.48 57.93 -84.75 -38.73 56.01 -84.13 -37.50 55.80 -82.76 -38.13 2 0 20.36-999 ?-999 ?-999 ? CA CA A 208 mASP.A 166 56.11 -86.02 -39.03 55.18 -86.12 -38.68 56.68 -86.29 -41.46 56.20 -85.17 -41.66 56.70 -86.91 -40.06 55.95 -88.25 -40.15 2 0 22.33-999 ?-999 ?-999 ? CA CA A 208 mASP.A 167 57.17 -87.04 -42.43 57.50 -87.94 -42.11 55.87 -86.66 -44.51 55.53 -85.79 -45.33 57.23 -86.60 -43.82 58.25 -87.45 -44.58 2 0 23.95-999 ?-999 ?-999 ? CA CA A 208 mSER.A 168 55.10 -87.69 -44.17 55.54 -88.34 -43.55 52.84 -86.78 -44.10 51.71 -86.59 -44.55 53.74 -87.86 -44.66 53.20 -89.23 -44.25 2 0 27.32-999 ?-999 ?-999 ? CA CA A 208 mGLY.A 169 53.35 -86.08 -43.08 54.25 -86.39 -42.78 51.96 -85.30 -41.17 51.25 -84.48 -40.61 52.65 -84.96 -42.48-999.99-999.99-999.99 1 0 25.70-999 ?-999 ?-999 ? CA CA A 208 mASN.A 170 52.16 -86.53 -40.70 52.80 -87.08 -41.23 52.11 -86.36 -38.26 53.31 -86.12 -38.21 51.51 -87.00 -39.49 51.62 -88.52 -39.42 2 0 26.03-999 ?-999 ?-999 ? CA CA A 208 mLYS^A 171 51.29 -86.04 -37.27 50.34 -86.34 -37.40 51.53 -86.03 -34.82 50.52 -86.72 -34.63 51.77 -85.30 -36.11 51.20 -83.88 -36.04 2 0 23.77-999 ?-999 ?-999 ? O21 C8E A 210 mSER^A 172 52.50 -85.90 -33.93 53.29 -85.38 -34.25 52.55 -85.34 -31.61 53.25 -84.36 -31.87 52.39 -86.47 -32.61 53.47 -87.51 -32.44 2 0 21.54-999 ?-999 ?-999 ? O21 C8E A 210 mGLN^A 173 51.87 -85.45 -30.47 51.25 -86.23 -30.41 52.05 -85.06 -28.01 51.35 -86.04 -27.75 52.07 -84.47 -29.41 51.04 -83.38 -29.50 2 0 18.94-999 ?-999 ?-999 ? O21 C8E A 210 mSER^A 174 52.83 -84.47 -27.11 53.34 -83.68 -27.47 53.43 -83.81 -24.84 53.79 -82.73 -25.32 52.92 -84.93 -25.72 53.86 -86.13 -25.60 2 0 16.77-999 ?-999 ?-999 ? O21 C8E A 210 mSER^A 175 53.44 -84.05 -23.53 53.17 -84.98 -23.27 54.31 -83.60 -21.29 53.77 -84.60 -20.85 53.84 -83.01 -22.59 52.68 -82.05 -22.33 2 0 14.03-999 ?-999 ?-999 ? O21 C8E A 210 mVAL^A 176 55.31 -82.99 -20.69 55.72 -82.24 -21.21 55.56 -82.25 -18.44 55.77 -81.11 -18.83 55.75 -83.41 -19.37 57.22 -83.75 -19.30 3 0 12.20-999 ?-999 ?-999 ? O21 C8E A 210 mCSS.A 177 55.19 -82.56 -17.21 55.03 -83.53 -17.04 56.03 -81.70 -15.07 56.64 -82.76 -14.91 55.04 -81.52 -16.22 53.60 -81.49 -15.73 2 0 11.24-999 ?-999 ?-999 ? O15 C8E A 210 mPRO.A 178 56.22 -80.64 -14.28 55.92 -79.75 -14.63 55.71 -81.32 -12.11 54.72 -80.57 -12.03 56.86 -80.88 -12.99 57.33 -79.48 -12.57 3 0 8.96-999 ?-999 ?-999 ? C13 C8E A 210 mGLY.A 179 55.79 -82.50 -11.51 55.00 -82.71 -10.92 56.46 -84.79 -12.13 56.24 -85.69 -11.32 56.90 -83.40 -11.68-999.99-999.99-999.99 1 0 10.82-999 ?-999 ?-999 ? C13 C8E A 210 mASP.A 180 56.30 -84.94 -13.44 56.34 -84.09 -13.96 57.42 -86.95 -14.19 58.44 -86.46 -13.71 56.08 -86.24 -14.06 55.45 -86.10 -15.44 2 0 13.75-999 ?-999 ?-999 ? C16 C8E A 210 mSER.A 181 57.41 -88.08 -14.87 56.57 -88.27 -15.38 59.80 -88.25 -15.37 60.71 -87.92 -14.61 58.57 -88.95 -14.85 58.30 -90.23 -15.63 2 0 14.96-999 ?-999 ?-999 ? C16 C8E A 210 mGLY~A 182 59.86 -88.03 -16.67 59.01 -88.19 -17.18 61.32 -86.08 -17.27 62.01 -85.55 -18.14 61.11 -87.58 -17.26-999.99-999.99-999.99 1 0 12.38-999 ?-999 ?-999 ? O21 C8E A 210 mTYR~A 183 60.74 -85.38 -16.29 60.33 -85.92 -15.56 62.14 -83.34 -16.09 62.60 -82.47 -16.83 60.76 -83.92 -16.35 59.70 -83.31 -15.42 3 0 9.52-999 ?-999 ?-999 ? O21 C8E A 210 mGLU~A 184 62.80 -83.84 -15.05 62.28 -84.53 -14.54 65.10 -83.50 -15.85 65.88 -82.57 -16.08 64.15 -83.43 -14.69 64.67 -84.34 -13.60 2 0 8.37-999 ?-999 ?-999 ? C16 C8E A 210 mASP~A 185 65.05 -84.62 -16.58 64.39 -85.30 -16.25 65.54 -83.85 -18.84 66.40 -83.10 -19.31 65.90 -84.83 -17.74 65.81 -86.27 -18.22 2 0 8.76-999 ?-999 ?-999 ? O21 C8E A 210 mVAL~A 186 64.27 -83.81 -19.23 63.67 -84.48 -18.79 64.32 -81.44 -19.87 64.82 -80.71 -20.72 63.83 -82.84 -20.23 62.31 -82.78 -20.37 3 0 6.99-999 ?-999 ?-999 ? O21 C8E A 210 mASN~A 187 64.18 -81.08 -18.60 63.83 -81.79 -18.00 66.01 -79.40 -18.23 66.37 -78.25 -18.43 64.51 -79.73 -18.18 63.91 -79.43 -16.81 2 0 -3.81-999 ?-999 ?-999 ? O21 C8E A 210s mLYS~A 188 66.87 -80.40 -18.05 66.44 -81.28 -17.87 68.77 -79.96 -19.54 69.79 -79.32 -19.79 68.32 -80.18 -18.11 69.07 -81.39 -17.52 2 0 4.95-999 ?-999 ?-999 ? O21 C8E A 210 mPHE~A 189 68.02 -80.52 -20.48 67.15 -80.90 -20.14 67.84 -79.36 -22.59 68.48 -78.79 -23.47 68.41 -80.57 -21.86 67.84 -81.85 -22.45 3 0 5.95-999 ?-999 ?-999 ? O21 C8E A 210 mVAL~A 190 66.61 -79.00 -22.24 66.22 -79.53 -21.49 66.29 -76.58 -22.24 66.24 -76.41 -21.01 65.92 -77.91 -22.89 64.35 -78.08 -22.90 3 0 4.24-999 ?-999 ?-999 ? O21 C8E A 210 mTHR.A 191 66.62 -75.64 -23.11 66.39 -75.89 -24.05 66.18 -73.30 -22.64 66.35 -72.19 -23.12 67.24 -74.39 -22.77 68.26 -74.09 -23.89 2 0 -4.46-999 ?-999 ?-999 ? O21 C8E A 210s mGLN.A 192 65.05 -73.61 -22.01 64.96 -74.56 -21.71 64.54 -71.59 -20.74 65.50 -71.88 -20.01 64.05 -72.56 -21.82 62.67 -73.13 -21.51 2 0 4.06-999 ?-999 ?-999 ? O21 C8E A 209s mPRO.A 193 63.91 -70.42 -20.65 63.13 -70.28 -21.26 64.35 -69.90 -18.25 63.49 -70.66 -17.82 64.38 -69.43 -19.68 63.39 -68.28 -19.85 3 0 -3.79-999 ?-999 ?-999 ? C20 C8E A 209s mGLU.A 194 65.35 -69.45 -17.51 66.13 -69.09 -18.03 65.75 -68.10 -15.55 64.93 -67.25 -15.19 65.31 -69.49 -16.07 66.15 -70.63 -15.55 2 0 3.90-999 ?-999 ?-999 ? O12 C8E A 209s mTRP^A 195 67.05 -67.84 -15.53 67.64 -68.63 -15.72 67.84 -65.81 -16.58 68.47 -66.40 -17.45 67.52 -66.49 -15.26 68.76 -66.51 -14.38 3 0 -4.03-999 ?-999 ?-999 ? O12 C8E A 209s mVAL^A 196 67.39 -64.58 -16.74 66.88 -64.19 -15.97 68.20 -62.51 -17.71 67.56 -61.71 -17.04 67.64 -63.89 -17.99 66.34 -63.79 -18.88 3 0 4.96-999 ?-999 ?-999 ? C16 C8E A 209 mLEU^A 197 69.41 -62.25 -18.21 69.90 -63.06 -18.52 69.34 -60.08 -19.45 69.34 -60.52 -20.59 69.94 -60.88 -18.29 71.44 -60.94 -18.48 3 0 6.13-999 ?-999 ?-999 ? C2 C8E A 209 mLYS^A 198 68.84 -58.89 -19.17 68.89 -58.64 -18.20 69.12 -56.80 -20.31 69.31 -56.09 -19.31 68.28 -58.05 -20.21 66.82 -57.66 -19.90 2 0 9.28-999 ?-999 ?-999 ? C17 C8E A 209 mLEU^A 199 69.60 -56.54 -21.52 69.33 -57.21 -22.21 70.05 -54.76 -23.19 70.36 -55.31 -24.25 70.44 -55.38 -21.83 71.88 -55.87 -21.82 3 0 11.33-999 ?-999 ?-999 ? C1 C8E A 209 mARG^A 200 69.32 -53.64 -23.18 69.15 -53.26 -22.27 69.16 -51.56 -24.59 69.13 -50.83 -23.60 68.84 -53.04 -24.43 67.34 -53.24 -24.60 2 0 14.33-999 ?-999 ?-999 ? C17 C8E A 209 mLEU^A 201 69.46 -51.13 -25.83 69.68 -51.87 -26.47 68.30 -49.46 -27.15 67.93 -50.33 -27.92 69.47 -49.71 -26.23 70.74 -49.29 -26.93 3 0 18.00-999 ?-999 ?-999 ? C17 C8E A 209 mGLY^A 202 67.71 -48.28 -27.05 68.11 -47.66 -26.37 66.17 -46.51 -27.73 66.91 -45.72 -27.18 66.56 -47.95 -27.86-999.99-999.99-999.99 1 0 20.08-999 ?-999 ?-999 ? C17 C8E A 209 mALA^A 203 64.99 -46.16 -28.24 64.46 -46.92 -28.61 63.08 -44.74 -27.89 62.36 -45.69 -28.12 64.54 -44.79 -28.25 64.77 -44.19 -29.63 2 0 23.41-999 ?-999 ?-999 ? C17 C8E A 209 mALA^A 204 62.63 -43.62 -27.31 63.34 -42.94 -27.12 60.71 -42.17 -27.61 61.33 -41.12 -27.47 61.22 -43.46 -27.01 60.98 -43.47 -25.53 2 0 25.06-999 ?-999 ?-999 ? C17 C8E A 209 mTYR^A 205 59.57 -42.26 -28.29 59.17 -43.18 -28.30 57.72 -40.72 -28.17 56.83 -41.54 -27.99 58.96 -41.12 -28.95 58.60 -41.49 -30.40 3 0 28.31-999 ?-999 ?-999 ? C17 C8E A 209 mARG^A 206 57.68 -39.48 -27.68 58.46 -38.91 -27.94 55.35 -38.60 -27.67 55.45 -38.48 -28.88 56.56 -39.01 -26.85 56.96 -37.86 -25.92 2 0 27.15-999 ?-999 ?-999 ? C20 C8E C 210 mPHE^A 207 54.22 -38.44 -26.99 54.29 -38.82 -26.07 51.85 -37.85 -26.49 52.04 -37.71 -25.28 53.00 -37.78 -27.51 52.55 -38.35 -28.86 3 0 25.31-999 ?-999 ?-999 ? C20 C8E C 210 mHIS.B 0 67.89 -36.75 -58.01 67.16 -36.62 -58.68 68.60 -38.17 -56.21 69.24 -39.22 -56.37 68.95 -36.93 -57.03 69.07 -35.68 -56.14 3 0 36.45-999 ?-999 ?-999 ? C1 C8E B 210 mALA.B 1 67.58 -38.03 -55.36 67.19 -37.11 -55.35 67.94 -39.41 -53.30 67.79 -40.46 -52.66 67.07 -39.13 -54.53 66.87 -40.39 -55.35 2 0 37.54-999 ?-999 ?-999 ? C1 C8E B 210 mALA.B 2 68.84 -38.47 -52.98 68.85 -37.69 -53.60 68.94 -38.47 -50.50 68.04 -37.64 -50.38 69.72 -38.60 -51.81 70.83 -37.58 -51.87 2 0 33.98-999 ?-999 ?-999 ? O15 C8E B 209 mLYS^B 3 69.31 -39.31 -49.53 70.07 -39.91 -49.77 69.36 -38.41 -47.26 70.57 -38.42 -47.15 68.65 -39.32 -48.24 68.62 -40.74 -47.69 2 0 32.09-999 ?-999 ?-999 ? O15 C8E B 209 mPHE^B 4 68.59 -37.61 -46.54 67.62 -37.63 -46.77 68.59 -37.15 -44.17 67.39 -37.35 -44.06 69.16 -36.78 -45.51 68.91 -35.31 -45.83 3 0 29.53-999 ?-999 ?-999 ? O15 C8E B 209 mSER^B 5 69.44 -37.30 -43.16 70.40 -37.29 -43.43 69.57 -36.39 -40.86 70.71 -35.95 -41.08 68.96 -37.45 -41.77 69.28 -38.83 -41.18 2 0 27.33-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 6 68.79 -35.98 -39.87 67.82 -36.22 -39.98 69.68 -36.30 -37.69 68.89 -37.19 -37.40 69.31 -35.26 -38.72 68.27 -34.36 -38.08 3 0 25.15-999 ?-999 ?-999 ? O15 C8E B 209 mGLU^B 7 70.90 -36.21 -37.17 71.45 -35.46 -37.53 71.73 -36.37 -34.89 72.24 -35.25 -34.95 71.36 -37.14 -36.15 72.55 -37.94 -36.69 2 0 22.22-999 ?-999 ?-999 ? O15 C8E B 209 mALA^B 8 71.43 -36.94 -33.74 70.94 -37.81 -33.83 72.42 -37.36 -31.56 71.85 -38.44 -31.37 71.81 -36.32 -32.47 70.60 -35.68 -31.80 2 0 20.12-999 ?-999 ?-999 ? C16 C8E B 209 mGLY^B 9 73.58 -37.05 -30.99 74.01 -36.20 -31.29 74.82 -37.31 -28.82 75.24 -36.17 -28.88 74.15 -37.97 -30.01-999.99-999.99-999.99 1 0 17.41-999 ?-999 ?-999 ? C16 C8E B 209 mALA^B 10 74.96 -38.09 -27.77 74.68 -39.03 -27.96 76.57 -38.61 -26.08 76.50 -39.81 -26.35 75.45 -37.67 -26.46 74.31 -37.81 -25.41 2 0 15.29-999 ?-999 ?-999 ? C16 C8E B 209 mGLY^B 11 77.60 -38.10 -25.42 77.62 -37.11 -25.29 79.88 -38.37 -24.63 79.89 -37.22 -24.25 78.59 -39.04 -24.96-999.99-999.99-999.99 1 0 12.70-999 ?-999 ?-999 ? C16 C8E B 209 mPHE^B 12 80.97 -39.10 -24.79 80.79 -40.03 -25.13 83.04 -38.08 -25.73 83.03 -38.72 -26.79 82.31 -38.60 -24.49 83.13 -39.70 -23.84 3 0 9.22-999 ?-999 ?-999 ? C16 C8E B 209 mTYR^B 13 83.64 -36.91 -25.59 83.41 -36.47 -24.72 85.61 -35.52 -25.76 85.65 -34.31 -25.80 84.54 -36.30 -26.56 83.80 -35.35 -27.54 3 0 6.42-999 ?-999 ?-999 ? O15 C8E B 209 mGLY.B 14 86.43 -36.25 -25.01 86.36 -37.24 -25.16 86.68 -34.71 -23.11 87.07 -33.54 -23.02 87.36 -35.68 -24.06-999.99-999.99-999.99 1 0 -3.42-999 ?-999 ?-999 ? C16 C8E B 209s mGLY.B 15 85.67 -35.18 -22.40 85.68 -36.17 -22.28 83.24 -34.85 -22.21 83.05 -35.64 -23.13 84.63 -34.31 -21.87-999.99-999.99-999.99 1 0 5.95-999 ?-999 ?-999 ? C19 C8E B 209 mPHE^B 16 82.23 -34.45 -21.45 82.47 -33.85 -20.69 80.09 -33.84 -22.50 80.20 -32.63 -22.23 80.89 -34.90 -21.76 80.18 -35.36 -20.51 3 0 9.57-999 ?-999 ?-999 ? C19 C8E B 209 mGLY^B 17 79.30 -34.32 -23.44 79.37 -35.30 -23.61 77.72 -34.20 -25.27 77.24 -35.33 -25.08 78.40 -33.46 -24.16-999.99-999.99-999.99 1 0 11.57-999 ?-999 ?-999 ? C19 C8E B 209 mGLY^B 18 77.69 -33.56 -26.44 78.15 -32.68 -26.46 77.28 -33.47 -28.88 78.06 -32.51 -28.97 77.02 -34.15 -27.57-999.99-999.99-999.99 1 0 13.41-999 ?-999 ?-999 ? C16 C8E B 209 mGLN^B 19 76.60 -33.99 -29.89 75.95 -34.71 -29.61 75.44 -33.56 -31.99 74.58 -34.40 -31.72 76.78 -33.57 -31.27 77.78 -34.48 -32.00 2 0 14.93-999 ?-999 ?-999 ? C16 C8E B 209 mLEU^B 20 75.26 -32.57 -32.86 76.01 -31.90 -32.86 74.69 -32.44 -35.18 75.64 -31.71 -35.47 74.13 -32.46 -33.75 73.38 -31.17 -33.46 3 0 18.48-999 ?-999 ?-999 ? C16 C8E B 209 mALA^B 21 74.12 -33.27 -36.05 73.32 -33.74 -35.69 73.59 -33.71 -38.44 72.51 -34.24 -38.19 74.65 -33.46 -37.41 75.65 -34.62 -37.46 2 0 20.02-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 22 73.95 -33.37 -39.66 74.75 -32.77 -39.69 74.05 -34.93 -41.53 75.28 -34.84 -41.68 73.23 -33.83 -40.83 72.88 -32.62 -41.74 3 0 23.28-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 23 73.39 -36.00 -41.93 72.42 -36.00 -41.68 73.40 -37.17 -44.03 72.19 -37.13 -44.12 74.07 -37.06 -42.67 73.92 -38.43 -41.94 3 0 24.09-999 ?-999 ?-999 ? O15 C8E B 209 mALA^B 24 74.18 -37.30 -45.09 75.15 -37.32 -44.85 74.15 -38.71 -47.06 75.35 -38.94 -47.19 73.67 -37.41 -46.46 74.16 -36.22 -47.31 2 0 27.23-999 ?-999 ?-999 ? O15 C8E B 209 mGLU^B 25 73.22 -39.58 -47.43 72.28 -39.24 -47.35 73.14 -41.06 -49.33 72.29 -40.29 -49.80 73.59 -40.90 -47.91 72.93 -41.97 -47.06 2 0 28.99-999 ?-999 ?-999 ? O15 C8E B 209 mASP.B 26 73.70 -42.08 -49.99 74.41 -42.56 -49.48 73.29 -41.20 -52.21 72.24 -40.77 -52.70 73.30 -42.44 -51.35 71.92 -43.11 -51.36 2 0 32.25-999 ?-999 ?-999 ? O15 C8E B 209 mLEU.B 27 74.46 -40.60 -52.35 75.23 -41.10 -51.96 74.39 -39.48 -54.52 73.57 -38.79 -55.13 74.58 -39.31 -53.02 75.94 -38.69 -52.71 3 0 31.01-999 ?-999 ?-999 ? C1 C8E B 210 mALA.B 28 75.15 -40.41 -55.09 75.81 -40.82 -54.45 74.34 -42.15 -56.60 74.10 -42.81 -55.59 75.06 -40.81 -56.49 76.45 -40.92 -57.07 2 0 33.16-999 ?-999 ?-999 ? C1 C8E B 210 mPRO.B 29 74.01 -42.56 -57.84 74.29 -41.90 -58.55 74.00 -45.11 -57.65 73.33 -45.94 -57.03 73.31 -43.82 -58.16 73.26 -43.80 -59.69 3 0 36.74-999 ?-999 ?-999 ? C1 C8E B 210 mGLY.B 30 75.30 -45.27 -57.90 75.73 -44.53 -58.42 77.10 -46.19 -56.38 77.78 -47.13 -55.94 76.03 -46.45 -57.44-999.99-999.99-999.99 1 0 36.07-999 ?-999 ?-999 ? C1 C8E B 210 mLEU.B 31 77.23 -44.94 -55.95 76.51 -44.32 -56.28 78.11 -44.76 -53.59 77.15 -44.25 -53.00 78.32 -44.51 -55.09 78.59 -43.03 -55.33 3 0 32.29-999 ?-999 ?-999 ? C1 C8E B 210 mPRO.B 32 79.03 -45.51 -52.97 79.76 -45.82 -53.57 79.69 -44.82 -50.70 80.71 -45.08 -50.08 78.98 -45.87 -51.55 79.76 -47.18 -51.50 3 0 30.87-999 ?-999 ?-999 ? O15 C8E B 209 mLEU^B 33 79.13 -43.61 -50.69 78.29 -43.55 -51.22 78.55 -41.92 -49.17 77.40 -42.03 -49.56 79.70 -42.50 -49.97 80.23 -41.46 -50.96 3 0 27.74-999 ?-999 ?-999 ? C1 C8E B 210 mGLY^B 34 78.86 -41.33 -48.03 79.81 -41.44 -47.75 78.71 -39.49 -46.65 79.94 -39.62 -46.57 77.89 -40.59 -47.26-999.99-999.99-999.99 1 0 26.08-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 35 78.08 -38.39 -46.24 77.10 -38.32 -46.44 78.09 -36.95 -44.36 76.87 -36.83 -44.45 78.88 -37.40 -45.53 79.41 -36.18 -46.38 3 0 23.54-999 ?-999 ?-999 ? O15 C8E B 209 mARG^B 36 78.81 -36.77 -43.24 79.77 -37.03 -43.30 78.85 -34.89 -41.73 80.08 -34.76 -41.78 78.21 -36.22 -42.06 78.31 -37.18 -40.88 2 0 20.88-999 ?-999 ?-999 ? O15 C8E B 209 mLEU^B 37 78.01 -33.90 -41.45 77.04 -34.12 -41.56 77.91 -32.32 -39.67 76.70 -32.33 -39.52 78.51 -32.60 -41.03 78.21 -31.47 -42.04 3 0 19.90-999 ?-999 ?-999 ? O15 C8E B 209 mGLY^B 38 78.77 -32.13 -38.67 79.72 -32.02 -38.95 78.88 -30.95 -36.44 80.03 -30.54 -36.58 78.31 -32.08 -37.28-999.99-999.99-999.99 1 0 17.30-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 39 78.05 -30.40 -35.58 77.09 -30.67 -35.66 78.50 -30.11 -33.21 77.51 -30.75 -32.87 78.58 -29.46 -34.61 77.88 -28.10 -34.69 3 0 15.66-999 ?-999 ?-999 ? C20 C8E B 209 mGLY^B 40 79.57 -30.00 -32.44 80.31 -29.44 -32.83 79.97 -29.71 -29.98 80.71 -28.74 -30.14 79.65 -30.64 -31.14-999.99-999.99-999.99 1 0 12.62-999 ?-999 ?-999 ? C20 C8E B 209 mPHE^B 41 79.38 -29.98 -28.82 78.71 -30.72 -28.86 80.07 -30.23 -26.53 79.34 -31.19 -26.32 79.72 -29.24 -27.61 78.58 -28.35 -27.12 3 0 10.98-999 ?-999 ?-999 ? C20 C8E B 209 mALA^B 42 81.20 -30.01 -25.86 81.74 -29.24 -26.21 82.34 -30.03 -23.65 83.15 -29.19 -24.00 81.57 -30.84 -24.70 82.39 -32.04 -25.12 2 0 8.38-999 ?-999 ?-999 ? C19 C8E B 209 mTHR^B 43 82.06 -30.31 -22.38 81.30 -30.94 -22.25 84.21 -30.26 -21.35 84.48 -31.27 -22.00 82.82 -29.73 -21.27 82.24 -30.08 -19.87 2 0 7.38-999 ?-999 ?-999 ? C19 C8E B 209 mSER.B 44 85.13 -29.60 -20.66 84.79 -28.87 -20.06 87.39 -29.40 -19.71 87.04 -28.40 -19.08 86.51 -29.99 -20.81 86.96 -29.57 -22.21 2 0 -4.22-999 ?-999 ?-999 ? C19 C8E B 209s mASP.B 45 88.51 -30.05 -19.48 88.58 -30.92 -19.98 90.23 -28.36 -19.23 90.31 -28.32 -20.46 89.55 -29.57 -18.58 90.60 -30.65 -18.50 2 0 -4.86-999 ?-999 ?-999 ? C19 C8E B 209s mALA.B 46 90.74 -27.41 -18.45 90.58 -27.53 -17.47 92.94 -26.28 -18.70 93.79 -26.17 -19.58 91.46 -26.30 -19.06 90.82 -24.97 -18.73 2 0 5.62-999 ?-999 ?-999 ? CA CA B 208 mLEU.B 47 93.22 -26.39 -17.40 92.40 -26.50 -16.84 94.86 -27.66 -16.15 94.07 -28.12 -15.33 94.57 -26.34 -16.83 94.70 -25.22 -15.81 3 0 -4.69-999 ?-999 ?-999 ? CA CA B 208s mASP.B 48 95.99 -28.27 -16.50 96.52 -27.78 -17.19 96.71 -29.38 -14.42 97.81 -28.98 -13.99 96.40 -29.56 -15.92 97.60 -30.12 -16.68 2 0 4.88-999 ?-999 ?-999 ? CA CA B 208 mASP.B 49 95.70 -29.65 -13.61 94.87 -29.98 -14.06 96.15 -30.82 -11.65 95.27 -31.65 -11.63 95.85 -29.46 -12.20 94.52 -28.97 -11.62 2 0 -4.51-999 ?-999 ?-999 ? CA CA B 208s mGLY.B 50 97.36 -31.07 -11.18 97.50 -32.04 -10.97 99.57 -30.39 -11.88 100.11 -31.50 -11.93 98.40 -30.11 -10.96-999.99-999.99-999.99 1 0 7.39-999 ?-999 ?-999 ? CA CA B 208 mTYR.B 51 99.91 -29.35 -12.64 99.20 -28.65 -12.66 102.05 -28.52 -12.36 101.57 -27.74 -11.54 101.15 -29.20 -13.38 100.87 -28.28 -14.56 3 0 9.35-999 ?-999 ?-999 ? CA CA B 208 mASP.B 52 103.34 -28.83 -12.40 103.60 -29.48 -13.11 104.47 -26.74 -11.71 104.84 -26.34 -12.81 104.27 -28.23 -11.45 105.61 -28.95 -11.53 2 0 12.77-999 ?-999 ?-999 ? CA CA B 208 mLEU.B 53 104.23 -25.92 -10.69 103.86 -26.38 -9.88 105.68 -24.04 -9.89 106.38 -23.08 -10.23 104.49 -24.48 -10.76 103.25 -23.70 -10.31 3 0 13.92-999 ?-999 ?-999 ? CA CA B 208 mGLY.B 54 105.91 -24.75 -8.77 105.37 -25.58 -8.70 108.26 -24.95 -7.81 108.99 -24.78 -8.79 106.87 -24.33 -7.76-999.99-999.99-999.99 1 0 17.06-999 ?-999 ?-999 ? CA CA B 208 mGLY.B 55 108.65 -25.64 -6.74 109.53 -26.10 -6.84 107.36 -27.11 -5.33 107.16 -27.55 -4.19 107.85 -25.69 -5.54-999.99-999.99-999.99 1 0 18.54-999 ?-999 ?-999 ? CA CA B 208 mGLY.B 56 107.19 -27.82 -6.45 107.53 -27.38 -7.28 105.08 -28.91 -6.15 104.32 -29.85 -5.98 106.55 -29.12 -6.42-999.99-999.99-999.99 1 0 16.66-999 ?-999 ?-999 ? CA CA B 208 mTHR.B 57 104.70 -27.63 -6.13 105.45 -26.99 -6.29 102.56 -27.15 -7.19 103.04 -26.58 -8.18 103.33 -27.21 -5.87 103.30 -25.84 -5.18 2 0 14.34-999 ?-999 ?-999 ? CA CA B 208 mTHR~B 58 101.38 -27.75 -7.20 101.06 -28.07 -6.31 99.54 -26.86 -8.60 99.19 -26.15 -7.65 100.65 -27.90 -8.43 100.06 -29.30 -8.55 2 0 10.62-999 ?-999 ?-999 ? CA CA B 208 mTRP~B 59 99.00 -26.76 -9.81 99.48 -27.28 -10.52 96.62 -26.46 -9.23 95.83 -25.66 -8.74 97.82 -25.95 -10.06 97.48 -25.94 -11.56 3 0 7.95-999 ?-999 ?-999 ? CA CA B 208 mGLY~B 60 96.50 -27.79 -9.09 97.11 -28.34 -9.66 95.66 -27.79 -6.75 94.66 -27.48 -6.09 95.52 -28.35 -8.17-999.99-999.99-999.99 1 0 7.13-999 ?-999 ?-999 ? CA CA B 208 mASP~B 61 96.91 -27.64 -6.30 97.62 -27.93 -6.94 96.72 -25.64 -4.79 96.12 -25.31 -3.76 97.18 -27.09 -4.97 98.68 -27.22 -4.60 2 0 10.89-999 ?-999 ?-999 ? CA CA B 208 mVAL~B 62 96.98 -24.78 -5.78 97.42 -25.19 -6.58 95.18 -23.10 -5.95 94.57 -22.21 -5.36 96.64 -23.36 -5.64 97.54 -22.43 -6.51 3 0 11.41-999 ?-999 ?-999 ? CA CA B 208 mLYS~B 63 94.61 -23.86 -6.88 95.22 -24.50 -7.33 92.38 -24.06 -5.90 91.30 -23.50 -5.67 93.18 -23.71 -7.17 92.77 -24.54 -8.42 2 0 9.00-999 ?-999 ?-999 ? CA CA B 208 mGLU~B 64 92.93 -24.95 -5.08 93.75 -25.38 -5.45 92.47 -24.10 -2.77 91.46 -23.55 -2.33 92.37 -25.28 -3.76 93.11 -26.48 -3.16 2 0 11.17-999 ?-999 ?-999 ? CA CA B 208 mALA~B 65 93.71 -23.74 -2.42 94.41 -24.33 -2.81 93.24 -21.32 -1.91 92.82 -20.57 -1.01 94.01 -22.60 -1.56 95.53 -22.30 -1.57 2 0 14.42-999 ?-999 ?-999 ? CA CA B 208 mGLY~B 66 93.08 -21.07 -3.21 93.38 -21.81 -3.82 91.04 -19.90 -3.91 90.37 -18.89 -4.03 92.54 -19.82 -3.71-999.99-999.99-999.99 1 0 14.07-999 ?-999 ?-999 ? CA CA B 208 mLYS~B 67 90.53 -21.12 -3.93 91.21 -21.83 -3.73 88.65 -21.03 -5.64 87.46 -20.78 -5.86 89.12 -21.41 -4.23 88.21 -20.84 -3.13 2 0 12.93-999 ?-999 ?-999 ? CA CA B 208 mPHE.B 68 89.57 -21.03 -6.59 90.48 -21.31 -6.28 88.31 -21.65 -8.67 88.40 -22.85 -8.44 89.24 -20.66 -7.98 90.53 -20.44 -8.79 3 0 10.84-999 ?-999 ?-999 ? CA CA B 208 mSER^B 69 87.38 -21.15 -9.48 87.33 -20.15 -9.48 87.20 -22.24 -11.63 87.62 -21.30 -12.29 86.53 -22.01 -10.29 85.16 -21.38 -10.55 2 0 9.72-999 ?-999 ?-999 ? CA CA B 208 mGLU^B 70 87.31 -23.49 -12.06 86.97 -24.18 -11.42 86.78 -24.21 -14.31 85.89 -24.96 -13.94 87.88 -23.76 -13.37 88.94 -24.85 -13.27 2 0 -6.73-999 ?-999 ?-999 ? CA CA B 208s mTRP^B 71 86.85 -23.75 -15.54 87.60 -23.10 -15.71 86.64 -24.44 -17.88 87.75 -23.94 -18.10 85.90 -24.17 -16.55 84.83 -23.08 -16.70 3 0 8.08-999 ?-999 ?-999 ? CA CA B 208 mGLY^B 72 86.05 -25.25 -18.75 85.17 -25.62 -18.45 85.60 -26.09 -20.97 84.66 -26.75 -20.52 86.64 -25.55 -20.04-999.99-999.99-999.99 1 0 7.04-999 ?-999 ?-999 ? C20 C8E B 209 mGLN^B 73 85.75 -25.83 -22.25 86.53 -25.25 -22.48 85.46 -26.48 -24.63 86.40 -25.76 -24.96 84.82 -26.36 -23.24 83.57 -25.48 -23.32 2 0 6.58-999 ?-999 ?-999 ? C20 C8E B 209 mASN^B 74 84.95 -27.42 -25.41 84.31 -28.02 -24.93 84.01 -27.53 -27.64 83.15 -28.36 -27.48 85.28 -27.58 -26.82 85.94 -28.94 -27.06 2 0 -6.18-999 ?-999 ?-999 ? C20 C8E B 209s mVAL^B 75 83.91 -26.56 -28.52 84.57 -25.82 -28.34 83.63 -26.99 -30.94 84.61 -26.40 -31.37 82.95 -26.54 -29.63 82.35 -25.11 -29.83 3 0 9.83-999 ?-999 ?-999 ? C20 C8E B 209 mTHR^B 76 83.08 -28.03 -31.56 82.22 -28.31 -31.15 82.86 -28.75 -34.03 81.73 -29.20 -34.02 83.69 -28.69 -32.73 83.97 -30.16 -32.35 2 0 10.94-999 ?-999 ?-999 ? C20 C8E B 209 mLEU^B 77 83.44 -28.35 -35.16 84.27 -27.81 -35.02 83.60 -29.92 -36.97 84.82 -30.03 -36.89 82.88 -28.70 -36.47 83.05 -27.61 -37.53 3 0 14.40-999 ?-999 ?-999 ? O21 C8E B 209 mSER^B 78 82.83 -30.84 -37.50 81.87 -30.57 -37.60 82.75 -32.43 -39.29 81.54 -32.34 -39.50 83.33 -32.12 -37.91 82.92 -33.16 -36.85 2 0 14.72-999 ?-999 ?-999 ? O15 C8E B 209 mLEU^B 79 83.60 -32.78 -40.24 84.56 -32.71 -39.99 83.63 -34.62 -41.82 84.83 -34.81 -41.95 83.12 -33.23 -41.54 83.57 -32.27 -42.66 3 0 17.11-999 ?-999 ?-999 ? C1 C8E B 210 mASP^B 80 82.73 -35.59 -41.94 81.79 -35.27 -41.89 82.71 -37.60 -43.45 81.59 -37.47 -43.88 83.14 -36.99 -42.11 82.56 -37.87 -41.00 2 0 18.54-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 81 83.64 -38.29 -44.08 84.55 -38.21 -43.68 83.11 -40.53 -44.78 84.01 -41.20 -44.29 83.36 -39.09 -45.25 84.56 -39.07 -46.20 3 0 21.31-999 ?-999 ?-999 ? C1 C8E B 210 mLEU^B 82 81.87 -40.98 -44.91 81.22 -40.33 -45.31 81.57 -43.22 -45.69 80.87 -43.03 -46.66 81.50 -42.31 -44.50 80.08 -42.29 -43.96 3 0 22.63-999 ?-999 ?-999 ? O15 C8E B 209 mTYR^B 83 82.41 -44.24 -45.63 83.04 -44.27 -44.85 81.55 -46.44 -46.28 81.96 -47.19 -45.40 82.33 -45.20 -46.70 83.69 -45.44 -47.39 3 0 25.31-999 ?-999 ?-999 ? O15 C8E B 209 mLYS.B 84 80.38 -46.60 -46.90 80.22 -45.88 -47.57 79.97 -49.12 -46.90 80.83 -49.34 -47.76 79.44 -47.69 -46.65 78.16 -47.50 -47.48 2 0 27.47-999 ?-999 ?-999 ? O15 C8E B 209 mPRO.B 85 79.44 -50.08 -46.13 78.75 -49.73 -45.50 79.05 -52.28 -47.30 78.84 -51.78 -48.41 79.78 -51.51 -46.18 79.29 -52.01 -44.81 3 0 29.03-999 ?-999 ?-999 ? O15 C8E B 209 mLEU.B 90 75.77 -58.17 -40.25 76.14 -58.74 -39.52 73.81 -56.79 -41.08 73.37 -55.89 -41.80 75.24 -57.33 -41.33 75.33 -58.05 -42.68 3 0 21.95-999 ?-999 ?-999 ? O18 C8E A 209 mPRO.B 91 73.08 -57.34 -40.08 73.44 -58.17 -39.67 72.06 -55.24 -39.25 71.34 -54.33 -39.67 71.82 -56.69 -39.69 71.36 -57.53 -38.49 3 0 20.00-999 ?-999 ?-999 ? O18 C8E A 209 mVAL.B 92 73.07 -55.05 -38.41 73.48 -55.89 -38.06 74.51 -53.21 -39.09 75.43 -53.94 -39.49 73.51 -53.72 -38.04 74.12 -53.70 -36.60 3 0 20.96-999 ?-999 ?-999 ? O18 C8E A 209 mGLU^B 93 74.32 -51.99 -39.55 73.51 -51.52 -39.17 76.33 -50.56 -39.88 76.08 -49.53 -39.26 75.20 -51.38 -40.54 74.41 -50.48 -41.48 2 0 24.72-999 ?-999 ?-999 ? O18 C8E A 209 mVAL^B 94 77.56 -51.02 -40.02 77.62 -51.91 -40.47 79.55 -49.73 -40.71 79.91 -50.45 -41.63 78.72 -50.26 -39.56 79.64 -51.11 -38.68 3 0 24.35-999 ?-999 ?-999 ? O15 C8E B 209 mALA^B 95 79.88 -48.45 -40.64 79.56 -47.99 -39.81 81.84 -47.11 -41.04 81.71 -46.33 -40.11 80.64 -47.79 -41.68 79.75 -46.77 -42.37 2 0 23.33-999 ?-999 ?-999 ? O15 C8E B 209 mPRO^B 96 83.03 -47.44 -41.51 83.05 -48.24 -42.11 84.11 -45.21 -41.72 83.39 -44.96 -42.68 84.21 -46.65 -41.14 85.37 -47.38 -41.84 3 0 20.96-999 ?-999 ?-999 ? O15 C8E B 209 mTYR^B 97 84.84 -44.27 -41.14 85.30 -44.54 -40.29 86.22 -42.27 -41.34 86.85 -42.64 -40.39 84.94 -42.95 -41.73 83.78 -42.08 -41.28 3 0 19.32-999 ?-999 ?-999 ? O15 C8E B 209 mPHE^B 98 86.58 -41.24 -42.09 86.08 -41.15 -42.95 87.14 -38.96 -42.00 86.21 -38.80 -42.78 87.63 -40.34 -41.68 88.93 -40.65 -42.41 3 0 17.62-999 ?-999 ?-999 ? C13 C8E B 209 mGLY^B 99 87.74 -37.94 -41.40 88.40 -38.18 -40.70 88.24 -35.52 -41.20 89.25 -35.80 -40.53 87.39 -36.60 -41.81-999.99-999.99-999.99 1 0 15.92-999 ?-999 ?-999 ? C1 C8E B 210 mVAL^B 100 87.80 -34.28 -41.42 86.93 -34.25 -41.92 87.73 -32.49 -39.82 86.50 -32.67 -39.72 88.50 -33.08 -41.00 88.62 -32.04 -42.19 3 0 12.56-999 ?-999 ?-999 ? C1 C8E B 210 mARG^B 101 88.44 -31.81 -38.91 89.43 -31.82 -39.03 88.35 -29.77 -37.55 89.55 -29.54 -37.76 87.74 -31.11 -37.82 87.66 -31.88 -36.48 2 0 11.71-999 ?-999 ?-999 ? C1 C8E B 210 mTYR^B 102 87.49 -28.87 -37.09 86.54 -29.17 -37.08 87.34 -27.35 -35.25 86.14 -27.50 -35.03 87.93 -27.56 -36.66 87.52 -26.45 -37.66 3 0 10.28-999 ?-999 ?-999 ? C1 C8E B 210 mASN^B 103 88.21 -27.06 -34.29 89.14 -26.89 -34.61 88.04 -25.66 -32.23 89.13 -25.10 -32.33 87.79 -27.00 -32.87 88.46 -28.09 -32.02 2 0 9.44-999 ?-999 ?-999 ? O21 C8E B 209 mPHE^B 104 87.01 -25.13 -31.58 86.15 -25.61 -31.71 87.29 -24.35 -29.25 86.28 -24.56 -28.59 87.17 -23.95 -30.74 85.99 -22.99 -30.95 3 0 9.74-999 ?-999 ?-999 ? O21 C8E B 209 mPHE^B 105 88.52 -24.48 -28.76 89.22 -24.45 -29.48 88.86 -23.36 -26.47 89.58 -22.41 -26.75 88.83 -24.63 -27.32 90.20 -25.27 -27.16 3 0 6.72-999 ?-999 ?-999 ? C20 C8E B 209 mSER^B 106 88.08 -23.32 -25.40 87.40 -24.05 -25.34 88.06 -22.65 -22.95 87.22 -23.48 -22.63 88.28 -22.25 -24.42 87.45 -21.03 -24.78 2 0 8.28-999 ?-999 ?-999 ? C20 C8E B 209 mGLY^B 107 88.86 -22.06 -22.07 89.52 -21.43 -22.48 89.61 -21.41 -19.78 90.13 -20.41 -20.25 88.75 -22.32 -20.64-999.99-999.99-999.99 1 0 8.76-999 ?-999 ?-999 ? C20 C8E B 209 mGLY^B 108 89.76 -21.77 -18.52 89.35 -22.65 -18.29 89.80 -20.94 -16.22 89.00 -21.82 -15.94 90.48 -20.92 -17.58-999.99-999.99-999.99 1 0 8.97-999 ?-999 ?-999 ? CA CA B 208 mTYR^B 109 90.10 -19.97 -15.37 90.75 -19.29 -15.72 89.00 -18.57 -13.68 89.56 -17.57 -14.15 89.51 -19.95 -14.03 90.52 -20.42 -12.98 3 0 9.48-999 ?-999 ?-999 ? CA CA B 208 mTHR^B 110 87.92 -18.52 -12.90 87.43 -19.38 -12.80 87.89 -17.33 -10.81 88.26 -18.38 -10.26 87.52 -17.28 -12.27 86.00 -17.02 -12.28 2 0 12.77-999 ?-999 ?-999 ? CA CA B 208 mASP.B 111 87.73 -16.18 -10.17 87.30 -15.47 -10.73 86.91 -15.50 -8.00 86.73 -14.30 -7.79 88.12 -15.97 -8.80 89.21 -14.92 -8.80 2 0 14.71-999 ?-999 ?-999 ? CA CA B 208 mPRO.B 112 86.07 -16.45 -7.55 86.40 -17.39 -7.65 85.06 -15.48 -5.64 84.15 -15.07 -4.92 84.78 -16.10 -6.97 84.09 -17.45 -6.79 3 0 16.50-999 ?-999 ?-999 ? CA CA B 208 mGLU.B 113 86.35 -15.41 -5.33 86.95 -15.86 -6.00 86.82 -15.76 -3.00 86.07 -16.74 -3.05 86.86 -14.75 -4.14 86.05 -13.47 -3.86 2 0 18.26-999 ?-999 ?-999 ? CA CA B 208 mASP.B 114 87.66 -15.55 -1.99 87.63 -16.27 -1.29 89.90 -14.67 -2.55 90.29 -15.84 -2.68 88.54 -14.39 -1.90 88.69 -13.97 -0.41 2 0 19.50-999 ?-999 ?-999 ? CA CA B 208 mASN.B 115 90.55 -13.62 -3.05 89.96 -12.94 -3.50 92.92 -13.41 -4.14 94.11 -13.64 -4.04 92.01 -13.48 -2.93 92.58 -14.49 -1.90 2 0 19.31-999 ?-999 ?-999 ? CA CA B 208 mLEU.B 116 92.39 -13.06 -5.30 91.41 -12.88 -5.30 92.98 -11.66 -7.11 92.06 -11.59 -7.91 93.28 -12.98 -6.45 93.01 -14.13 -7.42 3 0 17.99-999 ?-999 ?-999 ? CA CA B 208 mTHR.B 117 93.75 -10.64 -6.80 94.70 -10.85 -6.58 91.66 -9.64 -6.65 91.24 -10.07 -5.57 93.17 -9.31 -6.81 93.60 -8.43 -8.05 2 0 21.22-999 ?-999 ?-999 ? CA CA B 208 mILE.B 118 90.88 -9.45 -7.70 91.17 -8.67 -8.26 89.60 -10.20 -9.56 89.89 -9.13 -10.11 89.71 -10.30 -8.02 88.36 -9.84 -7.39 3 0 19.95-999 ?-999 ?-999 ? CA CA B 208 mLYS.B 119 89.23 -11.28 -10.25 88.98 -12.08 -9.72 88.93 -12.54 -12.44 88.35 -13.47 -11.90 89.22 -11.21 -11.71 90.59 -10.69 -12.13 2 0 18.28-999 ?-999 ?-999 ? CA CA B 208 mALA^B 120 89.36 -12.62 -13.69 89.85 -11.80 -14.00 90.29 -14.03 -15.55 90.89 -13.09 -16.04 89.14 -13.81 -14.52 87.79 -13.74 -15.22 2 0 15.56-999 ?-999 ?-999 ? CA CA B 208 mGLN^B 121 90.60 -15.27 -15.84 90.01 -15.96 -15.42 91.27 -16.61 -17.79 90.86 -17.72 -17.46 91.72 -15.58 -16.71 92.84 -16.15 -15.84 2 0 13.78-999 ?-999 ?-999 ? CA CA B 208 mTHR^B 122 91.32 -16.23 -19.06 91.68 -15.31 -19.20 91.92 -17.55 -21.18 92.68 -16.74 -21.65 90.88 -17.14 -20.14 89.68 -16.57 -20.89 2 0 13.41-999 ?-999 ?-999 ? CA CA B 208 mILE^B 123 91.95 -18.83 -21.53 91.32 -19.40 -20.99 91.91 -19.89 -23.74 90.85 -20.49 -23.50 92.80 -19.36 -22.58 93.65 -20.53 -22.06 3 0 10.99-999 ?-999 ?-999 ? O21 C8E B 210 mSER^B 124 92.37 -19.69 -24.98 93.28 -19.26 -24.98 92.62 -20.64 -27.21 93.76 -20.18 -27.34 91.65 -20.05 -26.20 91.04 -18.79 -26.84 2 0 10.65-999 ?-999 ?-999 ? O21 C8E B 209 mSER^B 125 92.18 -21.66 -27.92 91.29 -22.01 -27.63 91.94 -22.65 -30.05 91.04 -23.42 -29.74 92.94 -22.19 -29.04 93.77 -23.39 -28.60 2 0 9.58-999 ?-999 ?-999 ? O21 C8E B 209 mASN^B 126 92.08 -22.16 -31.28 92.72 -21.40 -31.36 92.23 -23.67 -33.22 93.34 -23.30 -33.60 91.34 -22.73 -32.40 90.80 -21.61 -33.24 2 0 8.97-999 ?-999 ?-999 ? C1 C8E B 210 mGLN^B 127 91.76 -24.89 -33.45 90.81 -25.03 -33.19 92.01 -26.67 -35.20 90.82 -26.98 -35.18 92.63 -25.91 -34.03 93.03 -26.90 -32.96 2 0 6.65-999 ?-999 ?-999 ? C1 C8E B 210 mLEU^B 128 92.85 -26.98 -36.20 93.73 -26.52 -36.13 92.83 -29.36 -36.93 93.78 -29.63 -36.20 92.50 -27.91 -37.29 93.21 -27.52 -38.58 3 0 6.05-999 ?-999 ?-999 ? C1 C8E B 210 mGLY^B 129 92.05 -30.31 -37.44 91.37 -30.00 -38.11 91.83 -32.75 -38.00 91.12 -32.49 -38.96 92.24 -31.68 -37.02-999.99-999.99-999.99 1 0 8.67-999 ?-999 ?-999 ? C1 C8E B 210 mLEU^B 130 92.24 -33.97 -37.69 92.67 -33.99 -36.79 91.51 -36.24 -37.62 91.82 -36.30 -36.46 92.09 -35.15 -38.52 93.49 -35.59 -38.95 3 0 10.72-999 ?-999 ?-999 ? C8 C8E B 210 mGLY^B 131 90.67 -37.12 -38.15 90.49 -36.99 -39.13 89.55 -39.34 -38.14 89.29 -39.23 -39.35 90.09 -38.16 -37.33-999.99-999.99-999.99 1 0 12.30-999 ?-999 ?-999 ? C13 C8E B 209 mLEU^B 132 89.38 -40.47 -37.45 89.75 -40.44 -36.53 87.86 -42.32 -36.93 87.94 -41.96 -35.77 88.71 -41.65 -38.01 89.72 -42.61 -38.67 3 0 14.71-999 ?-999 ?-999 ? O15 C8E B 209 mGLY^B 133 87.02 -43.26 -37.32 87.08 -43.51 -38.28 85.17 -44.83 -37.12 85.30 -45.02 -38.35 86.08 -43.87 -36.38-999.99-999.99-999.99 1 0 15.21-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 134 84.24 -45.45 -36.40 84.33 -45.34 -35.41 81.84 -45.79 -36.53 81.68 -45.50 -35.35 83.19 -46.23 -37.05 83.35 -47.78 -36.90 3 0 18.19-999 ?-999 ?-999 ? O15 C8E B 209 mARG^B 135 80.87 -45.74 -37.42 81.15 -46.03 -38.34 78.62 -46.50 -37.35 78.70 -47.11 -38.40 79.52 -45.32 -37.09 79.12 -44.13 -37.98 2 0 19.46-999 ?-999 ?-999 ? O15 C8E B 209 mALA^B 136 77.77 -46.81 -36.40 77.80 -46.21 -35.60 75.41 -47.52 -36.41 75.02 -46.87 -35.45 76.87 -47.95 -36.51 77.18 -48.96 -35.45 2 0 22.25-999 ?-999 ?-999 ? O15 C8E B 209 mALA^B 137 74.63 -47.89 -37.41 75.07 -48.42 -38.13 72.37 -48.80 -37.38 72.68 -49.76 -38.09 73.22 -47.55 -37.42 72.92 -46.75 -38.62 2 0 24.88-999 ?-999 ?-999 ? O15 C8E B 209 mTYR^B 138 71.32 -48.80 -36.56 71.19 -47.96 -36.03 69.01 -49.42 -36.49 68.70 -48.52 -35.76 70.43 -49.94 -36.46 70.72 -50.70 -35.17 3 0 22.11-999 ?-999 ?-999 ? O18 C8E A 209 mPRO^B 139 68.16 -49.94 -37.40 68.53 -50.70 -37.92 65.82 -49.83 -36.55 65.86 -50.95 -36.08 66.79 -49.40 -37.61 66.39 -49.98 -38.96 3 0 23.11-999 ?-999 ?-999 ? O18 C8E A 209 mLEU^B 140 64.92 -48.94 -36.19 64.76 -48.20 -36.84 62.75 -48.88 -35.05 61.99 -49.73 -34.66 64.24 -49.08 -34.92 64.80 -48.02 -33.97 3 0 22.10-999 ?-999 ?-999 ? O18 C8E A 209 mMET^B 141 62.33 -47.74 -35.57 63.07 -47.07 -35.70 61.00 -46.89 -37.32 62.10 -46.68 -37.86 60.94 -47.49 -35.92 60.30 -46.50 -34.94 2 0 24.67-999 ?-999 ?-999 ? O18 C8E A 209 mPRO.B 142 59.85 -46.63 -37.93 59.00 -46.89 -37.46 60.67 -44.65 -39.14 60.31 -43.86 -38.27 59.94 -45.98 -39.25 58.47 -45.74 -39.61 3 0 27.94-999 ?-999 ?-999 ? O18 C8E A 209 mASN.B 143 61.65 -44.43 -40.01 61.85 -45.21 -40.59 63.22 -42.85 -38.86 63.67 -41.73 -38.67 62.38 -43.15 -40.09 61.43 -41.97 -40.31 2 0 30.10-999 ?-999 ?-999 ? O18 C8E A 209 mLEU^B 144 63.41 -43.87 -38.02 62.96 -44.72 -38.27 65.18 -44.88 -36.68 64.76 -46.01 -36.52 64.22 -43.71 -36.85 63.34 -43.54 -35.61 3 0 27.65-999 ?-999 ?-999 ? O18 C8E A 209 mSER^B 145 66.48 -44.59 -36.72 66.69 -43.66 -37.02 68.38 -45.10 -35.19 68.47 -43.92 -34.92 67.49 -45.58 -36.35 68.33 -46.01 -37.56 2 0 25.54-999 ?-999 ?-999 ? O18 C8E A 209 mLEU^B 146 69.02 -46.05 -34.54 68.81 -46.96 -34.91 71.35 -45.81 -33.90 71.82 -46.69 -34.58 69.91 -45.87 -33.42 69.79 -47.10 -32.54 3 0 24.01-999 ?-999 ?-999 ? O18 C8E A 209 mVAL^B 147 72.07 -44.78 -33.51 71.62 -44.15 -32.88 74.41 -44.78 -32.85 74.14 -44.39 -31.73 73.43 -44.63 -34.00 73.63 -43.25 -34.71 3 0 21.74-999 ?-999 ?-999 ? O15 C8E B 209 mGLY^B 148 75.56 -45.36 -33.13 75.63 -45.68 -34.08 77.85 -45.06 -32.87 78.07 -45.32 -34.05 76.61 -45.51 -32.17-999.99-999.99-999.99 1 0 19.08-999 ?-999 ?-999 ? O15 C8E B 209 mASP^B 149 78.69 -44.35 -32.16 78.49 -44.24 -31.19 81.05 -43.82 -31.95 81.04 -43.34 -30.80 79.83 -43.79 -32.84 79.48 -42.39 -33.32 2 0 16.10-999 ?-999 ?-999 ? O15 C8E B 209 mLEU^B 150 82.10 -44.40 -32.50 81.94 -44.74 -33.42 84.45 -44.04 -32.74 84.62 -44.55 -33.84 83.36 -44.54 -31.81 83.61 -46.01 -31.46 3 0 13.99-999 ?-999 ?-999 ? O15 C8E B 209 mGLY^B 151 85.19 -43.04 -32.30 84.90 -42.60 -31.46 87.43 -42.00 -32.25 87.27 -41.77 -31.04 86.36 -42.67 -33.06-999.99-999.99-999.99 1 0 12.05-999 ?-999 ?-999 ? O15 C8E B 209 mVAL^B 152 88.52 -41.67 -32.94 88.52 -41.97 -33.89 90.04 -39.78 -33.25 90.16 -39.96 -34.45 89.63 -40.94 -32.34 90.80 -41.90 -32.10 3 0 9.61-999 ?-999 ?-999 ? O15 C8E B 209 mASP^B 153 90.22 -38.57 -32.70 90.01 -38.54 -31.72 92.04 -36.98 -33.01 92.36 -37.18 -31.85 90.69 -37.41 -33.50 89.74 -36.17 -33.46 2 0 8.43-999 ?-999 ?-999 ? C13 C8E B 209 mTYR^B 154 92.80 -36.36 -33.90 92.42 -36.41 -34.83 94.02 -34.21 -33.97 93.65 -33.86 -35.10 94.05 -35.69 -33.59 95.21 -36.32 -34.33 3 0 7.79-999 ?-999 ?-999 ? C13 C8E B 209s mTYR^B 155 94.43 -33.35 -33.04 94.73 -33.76 -32.18 95.83 -31.36 -33.31 96.62 -31.61 -32.40 94.43 -31.92 -33.31 93.51 -31.13 -32.35 3 0 6.33-999 ?-999 ?-999 ? C10 C8E B 210 mPHE.B 156 96.14 -30.58 -34.33 95.40 -30.47 -35.00 97.53 -28.72 -33.54 96.53 -28.02 -33.31 97.44 -29.94 -34.46 97.68 -29.48 -35.92 3 0 -3.47-999 ?-999 ?-999 ? C8 C8E B 210s mGLN.B 157 98.74 -28.45 -33.03 99.44 -29.09 -33.34 98.78 -26.03 -32.82 99.18 -25.86 -33.98 99.00 -27.34 -32.12 100.47 -27.31 -31.75 2 0 -3.87-999 ?-999 ?-999 ? C6 C8E B 210s mALA.B 158 98.19 -25.10 -32.09 97.94 -25.38 -31.17 98.34 -22.69 -31.60 98.76 -22.98 -30.50 97.94 -23.77 -32.61 96.50 -23.63 -32.93 2 0 4.69-999 ?-999 ?-999 ? C2 C8E B 210 mCSS.B 159 98.18 -21.44 -32.00 97.98 -21.34 -32.97 97.38 -20.52 -29.88 96.34 -21.15 -30.01 98.30 -20.33 -31.08 98.04 -19.00 -31.81 2 0 7.45-999 ?-999 ?-999 ? C2 C8E B 210 mPHE^B 160 97.81 -20.00 -28.73 98.76 -19.70 -28.76 96.76 -18.41 -27.25 97.70 -17.63 -27.21 97.00 -19.88 -27.52 97.73 -20.45 -26.31 3 0 9.52-999 ?-999 ?-999 ? O21 C8E B 210 mTHR^B 161 95.52 -18.00 -27.06 94.82 -18.70 -27.18 94.76 -16.50 -25.28 93.80 -17.15 -24.89 95.26 -16.61 -26.72 94.25 -15.98 -27.67 2 0 12.73-999 ?-999 ?-999 ? O21 C8E B 210 mARG^B 162 95.43 -15.65 -24.50 96.23 -15.23 -24.94 94.34 -14.02 -22.99 94.89 -13.01 -23.37 95.01 -15.38 -23.14 96.19 -15.47 -22.17 2 0 13.81-999 ?-999 ?-999 ? O21 C8E B 210 mVAL^B 163 93.15 -14.00 -22.42 92.72 -14.90 -22.33 92.50 -12.67 -20.44 91.88 -13.49 -19.77 92.56 -12.74 -21.97 91.19 -12.48 -22.63 3 0 17.15-999 ?-999 ?-999 ? O21 C8E B 210 mGLU^B 164 93.18 -11.68 -19.89 93.69 -11.12 -20.55 92.16 -10.36 -18.12 91.93 -9.43 -18.91 93.18 -11.44 -18.45 94.58 -11.03 -17.99 2 0 18.25-999 ?-999 ?-999 ? CA CA B 208 mGLU^B 165 91.53 -10.48 -16.96 91.76 -11.28 -16.40 90.84 -8.85 -15.23 91.25 -9.56 -14.32 90.56 -9.45 -16.59 89.13 -9.98 -16.66 2 0 19.86-999 ?-999 ?-999 ? CA CA B 208 mASP.B 166 90.63 -7.54 -15.11 90.35 -7.11 -15.96 89.51 -6.84 -13.06 88.44 -7.07 -13.63 90.80 -6.80 -13.85 91.14 -5.33 -14.11 2 0 22.36-999 ?-999 ?-999 ? CA CA B 208 mASP.B 167 89.61 -6.60 -11.76 90.54 -6.66 -11.41 87.60 -5.18 -11.54 86.37 -5.28 -11.60 88.45 -6.29 -10.94 88.92 -5.85 -9.56 2 0 23.33-999 ?-999 ?-999 ? CA CA B 208 mSER.B 168 88.28 -4.12 -11.98 89.26 -4.17 -11.82 87.05 -3.36 -13.98 86.33 -2.57 -14.60 87.65 -2.97 -12.63 88.67 -1.84 -12.82 2 0 26.54-999 ?-999 ?-999 ? CA CA B 208 mGLY.B 169 87.36 -4.56 -14.45 88.06 -5.05 -13.92 87.51 -4.93 -16.94 87.03 -5.32 -18.01 86.73 -5.09 -15.65-999.99-999.99-999.99 1 0 24.63-999 ?-999 ?-999 ? CA CA B 208 mASN.B 170 88.71 -4.36 -16.84 88.92 -4.06 -15.91 90.17 -5.50 -18.48 90.69 -6.32 -17.71 89.62 -4.19 -17.96 90.80 -3.32 -17.55 2 0 25.32-999 ?-999 ?-999 ? CA CA B 208 mLYS^B 171 90.06 -5.69 -19.79 89.55 -4.99 -20.28 92.01 -6.49 -21.04 92.22 -5.37 -21.47 90.66 -6.85 -20.43 89.70 -7.46 -21.47 2 0 23.16-999 ?-999 ?-999 ? CA CA B 208 mSER^B 172 92.95 -7.42 -20.99 92.73 -8.20 -20.39 94.41 -8.65 -22.43 93.90 -9.68 -21.96 94.19 -7.30 -21.74 95.38 -6.91 -20.86 2 0 21.98-999 ?-999 ?-999 ? O21 C8E B 210 mGLN^B 173 95.15 -8.64 -23.53 95.57 -7.76 -23.74 96.76 -10.16 -24.73 97.54 -9.29 -25.07 95.30 -9.84 -24.35 94.42 -9.74 -25.60 2 0 19.14-999 ?-999 ?-999 ? O21 C8E B 210 mSER^B 174 97.14 -11.43 -24.64 96.44 -12.04 -24.28 98.28 -13.12 -25.83 97.19 -13.66 -25.83 98.48 -11.85 -25.05 99.38 -12.12 -23.82 2 0 16.92-999 ?-999 ?-999 ? O21 C8E B 210 mSER^B 175 99.33 -13.60 -26.48 100.12 -12.99 -26.50 100.69 -15.50 -27.24 101.69 -14.82 -27.07 99.30 -14.92 -27.12 98.67 -14.83 -28.51 2 0 13.96-999 ?-999 ?-999 ? C2 C8E B 210 mVAL^B 176 100.75 -16.77 -27.57 99.86 -17.22 -27.63 101.72 -18.43 -28.93 100.63 -18.98 -28.99 102.01 -17.43 -27.81 102.54 -18.11 -26.50 3 0 11.80-999 ?-999 ?-999 ? C4 C8E B 210 mCSS.B 177 102.65 -18.65 -29.85 103.51 -18.15 -29.69 103.47 -20.61 -31.09 104.55 -20.48 -30.55 102.40 -19.54 -30.99 102.38 -18.76 -32.29 2 0 8.15-999 ?-999 ?-999 ? C4 C8E B 210 mPRO.B 178 103.16 -21.70 -31.75 102.22 -21.80 -32.09 105.27 -22.07 -32.90 104.78 -21.45 -33.86 104.27 -22.66 -31.92 103.57 -23.85 -32.59 3 0 6.12-999 ?-999 ?-999 ? C4 C8E B 210 mGLY.B 179 106.59 -22.13 -32.71 107.10 -21.98 -33.55 107.97 -21.09 -31.04 109.17 -20.87 -31.25 107.26 -22.38 -31.47-999.99-999.99-999.99 1 0 8.43-999 ?-999 ?-999 ? C4 C8E B 210 mASP.B 180 107.18 -20.21 -30.46 106.20 -20.40 -30.58 108.36 -19.61 -28.47 108.30 -20.81 -28.17 107.67 -19.07 -29.72 106.50 -18.19 -29.27 2 0 11.34-999 ?-999 ?-999 ? C4 C8E B 210 mSER.B 181 108.98 -18.70 -27.71 108.79 -17.75 -27.93 109.08 -19.87 -25.58 109.44 -21.01 -25.22 109.85 -19.10 -26.67 110.61 -17.88 -26.14 2 0 14.52-999 ?-999 ?-999 ? C4 C8E B 210 mGLY~B 182 108.00 -19.29 -25.05 107.71 -18.43 -25.45 106.36 -21.07 -24.27 105.56 -21.47 -23.42 107.37 -19.97 -23.92-999.99-999.99-999.99 1 0 12.65-999 ?-999 ?-999 ? O21 C8E B 210 mTYR~B 183 106.40 -21.58 -25.50 107.25 -21.41 -26.01 105.08 -23.69 -25.44 103.98 -24.07 -25.04 105.26 -22.31 -26.04 105.31 -22.41 -27.57 3 0 9.66-999 ?-999 ?-999 ? O21 C8E B 210 mGLU~B 184 106.18 -24.44 -25.42 106.99 -24.00 -25.82 105.73 -25.80 -23.42 105.17 -26.80 -22.98 106.18 -25.77 -24.87 107.54 -26.40 -25.02 2 0 7.91-999 ?-999 ?-999 ? C14 C8E B 210 mASP~B 185 105.93 -24.73 -22.68 106.40 -23.97 -23.13 103.97 -24.51 -21.16 103.29 -25.25 -20.44 105.48 -24.75 -21.29 106.30 -23.80 -20.43 2 0 8.78-999 ?-999 ?-999 ? O21 C8E B 210 mVAL~B 186 103.46 -23.50 -21.85 104.14 -22.93 -22.31 101.32 -24.53 -22.44 100.25 -24.92 -21.95 102.03 -23.25 -21.93 101.71 -22.01 -22.88 3 0 7.07-999 ?-999 ?-999 ? O21 C8E B 210 mASN~B 187 101.93 -25.21 -23.41 102.82 -24.86 -23.68 101.15 -27.58 -23.05 100.21 -28.36 -23.19 101.28 -26.38 -23.99 101.97 -26.81 -25.28 2 0 -3.85-999 ?-999 ?-999 ? O21 C8E B 210s mLYS~B 188 102.12 -27.72 -22.15 102.85 -27.04 -22.25 101.11 -28.48 -20.04 100.42 -29.39 -19.59 102.16 -28.74 -21.10 103.52 -28.75 -20.41 2 0 5.04-999 ?-999 ?-999 ? O21 C8E B 210 mPHE~B 189 101.00 -27.23 -19.64 101.65 -26.60 -20.06 98.58 -26.84 -19.25 97.68 -27.44 -18.71 100.00 -26.82 -18.66 100.38 -25.42 -18.14 3 0 6.21-999 ?-999 ?-999 ? O21 C8E B 210 mVAL~B 190 98.36 -26.18 -20.37 99.17 -25.79 -20.81 96.58 -27.35 -21.57 97.33 -27.94 -22.35 97.01 -26.06 -20.89 96.87 -24.85 -21.88 3 0 4.53-999 ?-999 ?-999 ? O21 C8E B 210 mTHR.B 191 95.36 -27.77 -21.30 94.81 -27.15 -20.73 93.89 -28.89 -22.94 92.72 -29.20 -22.80 94.88 -29.06 -21.80 94.26 -29.90 -20.68 2 0 -3.71-999 ?-999 ?-999 ? C19 C8E B 210s mGLN.B 192 94.36 -28.37 -24.06 95.33 -28.12 -24.04 93.52 -29.49 -26.00 94.25 -30.41 -25.65 93.49 -28.19 -25.21 93.96 -27.01 -26.04 2 0 3.41-999 ?-999 ?-999 ? O21 C8E B 209s mPRO.B 193 92.69 -29.61 -27.03 92.15 -28.81 -27.29 94.01 -31.32 -28.35 94.67 -30.48 -29.01 92.68 -30.92 -27.68 91.57 -30.78 -28.74 3 0 -3.30-999 ?-999 ?-999 ? O21 C8E B 209s mGLU.B 194 94.39 -32.58 -28.13 93.88 -33.03 -27.40 94.98 -34.57 -29.48 94.48 -34.60 -30.59 95.46 -33.23 -28.87 96.71 -33.40 -28.02 2 0 3.72-999 ?-999 ?-999 ? C11 C8E B 209s mTRP^B 195 95.12 -35.68 -28.75 95.78 -35.61 -27.99 93.02 -36.83 -28.32 92.98 -36.55 -27.15 94.35 -36.89 -29.05 95.11 -38.15 -28.68 3 0 -3.68-999 ?-999 ?-999 ? C11 C8E B 209s mVAL^B 196 91.92 -37.02 -29.03 92.05 -37.13 -30.02 89.98 -38.41 -28.72 90.09 -38.88 -29.86 90.63 -37.06 -28.37 89.71 -35.90 -28.80 3 0 4.02-999 ?-999 ?-999 ? O15 C8E B 209 mLEU^B 197 89.35 -39.03 -27.73 89.44 -38.57 -26.84 87.12 -39.87 -27.97 86.65 -39.04 -27.19 88.59 -40.25 -27.89 88.81 -41.19 -26.71 3 0 6.64-999 ?-999 ?-999 ? O15 C8E B 209 mLYS^B 198 86.40 -40.46 -28.93 86.88 -41.12 -29.50 84.13 -41.33 -28.93 84.31 -42.32 -29.65 85.01 -40.11 -29.09 84.76 -39.44 -30.43 2 0 8.79-999 ?-999 ?-999 ? O15 C8E B 209 mLEU^B 199 83.18 -41.24 -27.98 83.22 -40.41 -27.43 80.79 -41.73 -27.61 80.52 -41.08 -26.63 82.19 -42.29 -27.79 82.54 -43.14 -26.59 3 0 11.73-999 ?-999 ?-999 ? O15 C8E B 209 mARG^B 200 79.90 -41.97 -28.57 80.21 -42.55 -29.32 77.43 -42.36 -28.84 77.62 -43.21 -29.73 78.56 -41.39 -28.45 78.43 -40.13 -29.31 2 0 14.22-999 ?-999 ?-999 ? O15 C8E B 209 mLEU^B 201 76.28 -42.23 -28.17 76.32 -41.61 -27.38 74.07 -41.89 -28.94 74.07 -40.82 -28.37 75.07 -42.93 -28.58 74.51 -43.83 -27.50 3 0 17.96-999 ?-999 ?-999 ? O15 C8E B 209 mGLY^B 202 73.24 -42.20 -29.93 73.33 -43.14 -30.26 71.25 -41.89 -31.39 71.18 -43.09 -31.55 72.27 -41.27 -30.46-999.99-999.99-999.99 1 0 20.20-999 ?-999 ?-999 ? O15 C8E B 209 mALA^B 203 70.44 -41.05 -32.01 70.60 -40.10 -31.78 69.47 -40.65 -34.20 69.72 -39.46 -34.13 69.42 -41.50 -32.95 68.05 -41.38 -32.31 2 0 23.56-999 ?-999 ?-999 ? O15 C8E B 209 mALA^B 204 69.24 -41.25 -35.36 69.18 -42.25 -35.31 67.67 -40.53 -37.06 67.01 -41.56 -36.93 69.10 -40.47 -36.57 70.05 -40.95 -37.62 2 0 24.98-999 ?-999 ?-999 ? O15 C8E B 209 mTYR^B 205 67.19 -39.42 -37.60 67.86 -38.67 -37.62 65.85 -38.88 -39.62 66.47 -37.89 -39.99 65.83 -39.29 -38.13 65.08 -38.25 -37.31 3 0 28.28-999 ?-999 ?-999 ? O15 C8E B 209 mARG^B 206 65.19 -39.64 -40.48 64.71 -40.43 -40.10 64.17 -38.18 -42.20 63.03 -38.29 -41.77 65.21 -39.26 -41.89 65.08 -40.47 -42.81 2 0 30.68-999 ?-999 ?-999 ? O15 C8E B 209 mPHE.B 207 64.58 -37.13 -42.91 65.51 -37.23 -43.26 63.79 -35.52 -44.61 64.84 -35.60 -45.25 63.73 -35.96 -43.15 64.10 -34.76 -42.23 3 0 32.26-999 ?-999 ?-999 ? O15 C8E B 209 mALA.C 2 58.42 -54.05 -43.37 58.56 -54.07 -44.36 57.03 -53.15 -41.46 57.20 -52.31 -40.57 58.21 -54.03 -41.91 59.51 -53.60 -41.18 2 0 24.71-999 ?-999 ?-999 ? O21 C8E A 209 mLYS.C 3 55.85 -53.39 -42.05 55.87 -54.21 -42.61 54.25 -52.01 -40.48 54.07 -52.77 -39.54 54.64 -52.54 -41.89 53.43 -53.24 -42.53 2 0 26.87-999 ?-999 ?-999 ? O21 C8E A 209 mPHE^C 4 54.09 -50.68 -40.39 54.37 -50.19 -41.21 52.27 -49.23 -39.53 52.17 -48.60 -40.58 53.56 -50.00 -39.20 54.58 -49.01 -38.67 3 0 27.35-999 ?-999 ?-999 ? O21 C8E A 209 mSER^C 5 51.29 -49.25 -38.63 51.50 -49.79 -37.82 49.58 -47.82 -37.57 49.97 -48.18 -36.46 50.03 -48.53 -38.83 48.92 -49.49 -39.25 2 0 27.98-999 ?-999 ?-999 ? C19 C8E C 210 mVAL^C 6 48.75 -46.80 -37.75 48.62 -46.54 -38.71 46.61 -46.51 -36.78 46.07 -46.49 -37.88 48.09 -46.15 -36.64 48.29 -44.63 -36.70 3 0 25.41-999 ?-999 ?-999 ? C19 C8E C 210 mGLU^C 7 45.98 -46.89 -35.66 46.51 -46.76 -34.83 43.78 -46.71 -34.67 44.19 -46.50 -33.55 44.63 -47.45 -35.68 44.69 -48.97 -35.38 2 0 22.61-999 ?-999 ?-999 ? C19 C8E C 210 mALA^C 8 42.58 -46.31 -35.08 42.43 -46.48 -36.06 40.34 -46.50 -34.28 39.85 -46.77 -35.37 41.60 -45.69 -34.21 41.31 -44.27 -34.65 2 0 20.37-999 ?-999 ?-999 ? C19 C8E C 210 mGLY^C 9 39.82 -46.89 -33.13 40.32 -46.57 -32.32 37.68 -47.15 -32.05 38.07 -46.40 -31.16 38.63 -47.72 -33.07-999.99-999.99-999.99 1 0 17.67-999 ?-999 ?-999 ? C16 C8E C 210 mALA^C 10 36.41 -47.51 -32.17 36.23 -48.18 -32.89 34.32 -48.00 -31.10 34.00 -48.76 -32.00 35.38 -46.95 -31.32 34.79 -45.75 -31.96 2 0 15.42-999 ?-999 ?-999 ? C16 C8E C 210 mGLY^C 11 33.76 -48.03 -29.90 34.06 -47.31 -29.27 32.79 -49.30 -28.08 32.99 -48.38 -27.29 32.80 -49.06 -29.57-999.99-999.99-999.99 1 0 12.79-999 ?-999 ?-999 ? C16 C8E C 210 mPHE^C 12 32.59 -50.56 -27.71 32.67 -51.22 -28.45 33.53 -51.53 -25.69 34.24 -52.37 -26.25 32.29 -50.95 -26.35 31.13 -51.95 -26.39 3 0 9.22-999 ?-999 ?-999 ? C16 C8E C 210 mTYR^C 13 33.79 -51.05 -24.49 33.23 -50.26 -24.24 34.30 -51.44 -22.18 34.74 -50.55 -21.47 34.80 -51.61 -23.62 36.15 -50.94 -23.81 3 0 6.85-999 ?-999 ?-999 ? C16 C8E C 210 mGLY.C 14 33.36 -52.27 -21.77 33.14 -53.00 -22.42 31.79 -50.92 -20.38 31.23 -50.65 -19.35 32.71 -52.13 -20.48-999.99-999.99-999.99 1 0 -3.25-999 ?-999 ?-999 ? C16 C8E C 210s mGLY.C 15 31.63 -50.22 -21.49 32.02 -50.68 -22.30 31.48 -48.36 -22.87 32.23 -49.03 -23.56 30.97 -48.94 -21.56-999.99-999.99-999.99 1 0 5.81-999 ?-999 ?-999 ? C16 C8E C 210 mPHE^C 16 31.10 -47.14 -23.22 30.57 -46.63 -22.54 32.66 -45.71 -24.61 32.90 -44.90 -23.72 31.47 -46.65 -24.54 30.27 -46.05 -25.22 3 0 9.43-999 ?-999 ?-999 ? C16 C8E C 210 mGLY^C 17 33.42 -45.84 -25.69 33.11 -46.53 -26.35 35.35 -45.41 -27.13 34.74 -45.68 -28.18 34.61 -45.03 -25.87-999.99-999.99-999.99 1 0 11.43-999 ?-999 ?-999 ? C19 C8E C 210 mGLY^C 18 36.68 -45.45 -27.03 37.04 -45.22 -26.13 38.94 -46.04 -27.74 39.28 -45.99 -26.56 37.51 -45.80 -28.16-999.99-999.99-999.99 1 0 13.60-999 ?-999 ?-999 ? C19 C8E C 210 mGLN^C 19 39.79 -46.31 -28.73 39.38 -46.29 -29.65 41.98 -46.02 -29.65 41.50 -46.02 -30.78 41.19 -46.59 -28.49 41.42 -48.10 -28.40 2 0 15.01-999 ?-999 ?-999 ? C19 C8E C 210 mLEU^C 20 43.17 -45.49 -29.36 43.31 -45.31 -28.39 45.27 -46.24 -30.24 45.61 -46.65 -29.13 44.17 -45.22 -30.38 44.78 -43.86 -30.20 3 0 18.47-999 ?-999 ?-999 ? C19 C8E C 210 mALA^C 21 45.85 -46.63 -31.36 45.60 -46.12 -32.18 47.87 -47.58 -32.38 47.77 -46.79 -33.31 46.78 -47.73 -31.34 46.03 -49.05 -31.56 2 0 20.19-999 ?-999 ?-999 ? C19 C8E C 210 mVAL^C 22 48.91 -48.36 -32.20 48.89 -48.84 -31.33 50.04 -50.00 -33.44 49.93 -50.83 -32.53 49.97 -48.50 -33.16 51.29 -47.99 -32.55 3 0 23.55-999 ?-999 ?-999 ? C19 C8E C 210 mVAL^C 23 50.17 -50.36 -34.70 50.20 -49.61 -35.36 51.54 -51.94 -35.81 51.89 -51.12 -36.63 50.26 -51.76 -35.05 49.07 -52.22 -35.91 3 0 25.06-999 ?-999 ?-999 ? C19 C8E C 210 mALA^C 24 52.26 -53.01 -35.51 51.91 -53.54 -34.74 53.26 -54.76 -36.73 52.95 -55.63 -35.92 53.45 -53.34 -36.25 54.64 -53.25 -35.36 2 0 23.47-999 ?-999 ?-999 ? O21 C8E A 209 mGLU.C 25 53.44 -54.99 -38.03 53.69 -54.17 -38.55 54.55 -56.79 -39.28 55.50 -56.03 -39.42 53.26 -56.32 -38.61 52.09 -56.33 -39.60 2 0 23.09-999 ?-999 ?-999 ? O21 C8E A 209 mASP.C 26 54.58 -58.04 -39.69 53.80 -58.60 -39.41 57.03 -58.00 -39.96 57.73 -57.27 -40.64 55.71 -58.52 -40.50 55.55 -58.08 -41.98 2 0 22.06-999 ?-999 ?-999 ? O21 C8E A 209 mLEU.C 27 57.38 -58.37 -38.72 56.74 -58.99 -38.28 59.87 -58.64 -38.51 60.97 -58.33 -38.07 58.62 -57.87 -38.10 58.51 -57.89 -36.58 3 0 19.48-999 ?-999 ?-999 ? O21 C8E A 209 mALA.C 28 59.68 -59.66 -39.34 58.73 -59.80 -39.61 60.22 -61.56 -40.72 59.04 -61.91 -40.62 60.78 -60.48 -39.80 61.54 -61.10 -38.64 2 0 18.79-999 ?-999 ?-999 ? O21 C8E A 209 mPRO.C 29 61.05 -62.06 -41.63 62.01 -61.78 -41.52 59.94 -64.25 -42.19 58.95 -64.72 -42.76 60.58 -62.95 -42.70 61.86 -63.23 -43.51 3 0 20.45-999 ?-999 ?-999 ? O21 C8E A 209 mGLY.C 30 60.50 -64.82 -41.13 61.27 -64.31 -40.73 58.74 -66.03 -39.77 57.78 -66.74 -40.09 60.02 -66.08 -40.59-999.99-999.99-999.99 1 0 17.86-999 ?-999 ?-999 ? O21 C8E A 209 mLEU.C 31 58.72 -65.19 -38.73 59.50 -64.57 -38.71 56.42 -64.32 -38.00 56.54 -63.14 -38.32 57.65 -65.18 -37.71 58.21 -64.86 -36.29 3 0 16.38-999 ?-999 ?-999 ? O21 C8E A 209 mPRO.C 32 55.23 -64.93 -37.81 55.35 -65.83 -37.41 53.27 -63.60 -36.97 52.06 -63.55 -36.85 53.89 -64.41 -38.11 53.06 -65.70 -38.28 3 0 18.95-999 ?-999 ?-999 ? O21 C8E A 209 mLEU^C 33 54.08 -63.00 -36.13 55.06 -63.10 -36.30 53.49 -60.82 -35.39 54.36 -60.36 -36.12 53.49 -62.26 -35.03 54.27 -62.49 -33.74 3 0 17.77-999 ?-999 ?-999 ? O21 C8E A 209 mGLY^C 34 52.49 -60.10 -34.91 51.78 -60.64 -34.45 52.20 -58.15 -33.66 52.02 -58.93 -32.74 52.44 -58.67 -35.04-999.99-999.99-999.99 1 0 20.14-999 ?-999 ?-999 ? O21 C8E A 209 mVAL^C 35 52.15 -56.84 -33.51 52.23 -56.31 -34.35 51.09 -55.08 -32.30 51.18 -54.30 -33.25 52.01 -56.27 -32.20 53.39 -55.81 -31.66 3 0 20.46-999 ?-999 ?-999 ? O21 C8E A 209 mARG^C 36 50.20 -54.95 -31.32 50.15 -55.72 -30.69 49.60 -53.09 -29.85 49.47 -53.72 -28.81 49.38 -53.75 -31.21 47.89 -54.05 -31.44 2 0 21.55-999 ?-999 ?-999 ? C13 C8E C 210 mLEU^C 37 49.92 -51.80 -29.89 50.03 -51.44 -30.81 49.00 -49.99 -28.67 48.80 -49.31 -29.64 50.09 -51.01 -28.68 51.45 -50.32 -28.68 3 0 20.48-999 ?-999 ?-999 ? C19 C8E C 210 mGLY^C 38 48.28 -49.88 -27.58 48.63 -50.38 -26.78 46.77 -48.33 -26.31 47.15 -48.75 -25.22 47.08 -49.08 -27.59-999.99-999.99-999.99 1 0 17.56-999 ?-999 ?-999 ? C19 C8E C 210 mVAL^C 39 46.07 -47.22 -26.45 45.91 -46.94 -27.40 44.10 -46.24 -25.53 43.69 -45.70 -26.56 45.59 -46.48 -25.31 46.36 -45.15 -25.15 3 0 15.38-999 ?-999 ?-999 ? C20 C8E C 210 mGLY^C 40 43.28 -46.65 -24.56 43.74 -47.04 -23.77 41.19 -45.73 -23.60 41.67 -45.69 -22.46 41.84 -46.53 -24.70-999.99-999.99-999.99 1 0 12.46-999 ?-999 ?-999 ? C19 C8E C 210 mPHE^C 41 40.10 -45.06 -23.94 39.90 -45.07 -24.92 37.82 -44.79 -23.11 37.32 -44.87 -24.23 39.29 -44.38 -22.94 39.44 -42.87 -23.08 3 0 10.83-999 ?-999 ?-999 ? C19 C8E C 210 mALA^C 42 37.15 -45.10 -22.00 37.68 -45.04 -21.15 34.94 -45.01 -20.86 35.41 -45.03 -19.72 35.72 -45.47 -22.06 35.55 -46.98 -22.23 2 0 8.24-999 ?-999 ?-999 ? C19 C8E C 210 mTHR^C 43 33.71 -44.61 -21.13 33.50 -44.57 -22.10 32.51 -45.49 -19.23 32.69 -46.61 -19.70 32.76 -44.26 -20.08 31.43 -43.81 -20.68 2 0 7.80-999 ?-999 ?-999 ? C19 C8E C 210 mSER.C 44 32.10 -45.30 -17.98 31.90 -44.35 -17.74 30.97 -46.20 -15.94 30.44 -45.12 -15.73 31.95 -46.42 -17.08 33.32 -46.79 -16.51 2 0 -4.95-999 ?-999 ?-999 ? C19 C8E C 210s mASP.C 45 30.77 -47.26 -15.19 31.36 -48.03 -15.44 30.60 -47.43 -12.81 31.51 -48.25 -12.69 29.80 -47.34 -14.12 28.98 -48.61 -14.39 2 0 4.85-999 ?-999 ?-999 ? O21 C8E C 210s mALA.C 46 30.30 -46.59 -11.83 29.44 -46.08 -11.94 30.78 -47.29 -9.48 31.58 -48.02 -8.87 31.22 -46.48 -10.69 31.43 -45.03 -10.31 2 0 5.36-999 ?-999 ?-999 ? O21 C8E C 210 mLEU.C 47 29.50 -47.17 -9.15 28.97 -46.57 -9.75 27.66 -48.61 -8.48 26.77 -48.07 -9.16 28.91 -47.85 -8.02 28.53 -46.84 -6.92 3 0 -4.90-999 ?-999 ?-999 ? CA CA C 208s mASP.C 48 27.59 -49.87 -8.10 28.41 -50.19 -7.61 25.09 -50.15 -7.84 24.78 -50.26 -6.64 26.43 -50.70 -8.37 26.68 -52.06 -7.74 2 0 4.91-999 ?-999 ?-999 ? CA CA C 208 mASP.C 49 24.27 -49.57 -8.72 24.66 -49.42 -9.63 22.19 -50.47 -7.88 22.10 -51.42 -8.64 22.91 -49.20 -8.30 22.13 -48.50 -9.42 2 0 -4.61-999 ?-999 ?-999 ? CA CA C 208s mGLY.C 50 21.68 -50.53 -6.66 21.72 -49.69 -6.12 22.13 -52.74 -5.64 22.00 -53.95 -5.79 21.11 -51.78 -6.22-999.99-999.99-999.99 1 0 8.32-999 ?-999 ?-999 ? CA CA C 208 mTYR.C 51 23.18 -52.17 -5.05 23.41 -51.27 -5.41 23.10 -52.46 -2.75 22.75 -51.29 -2.53 23.92 -52.81 -3.97 25.32 -52.20 -3.84 3 0 9.59-999 ?-999 ?-999 ? CA CA C 208 mASP.C 52 22.76 -53.47 -1.96 23.12 -54.35 -2.25 22.73 -52.64 0.37 23.65 -53.27 0.89 21.92 -53.25 -0.79 21.29 -54.58 -0.38 2 0 12.85-999 ?-999 ?-999 ? CA CA C 208 mLEU.C 53 22.41 -51.40 0.75 21.64 -50.99 0.26 22.50 -51.01 3.18 23.17 -51.15 4.20 23.15 -50.74 1.83 23.26 -49.22 1.59 3 0 13.96-999 ?-999 ?-999 ? CA CA C 208 mGLY.C 54 21.17 -51.08 3.17 20.76 -50.95 2.27 19.11 -50.53 4.38 19.13 -49.33 4.08 20.40 -51.33 4.37-999.99-999.99-999.99 1 0 17.14-999 ?-999 ?-999 ? CA CA C 208 mGLY.C 55 18.00 -51.18 4.71 17.19 -50.60 4.78 17.60 -53.31 3.67 17.92 -54.48 3.47 17.99 -52.60 4.95-999.99-999.99-999.99 1 0 18.86-999 ?-999 ?-999 ? CA CA C 208 mGLY.C 56 16.90 -52.59 2.80 16.59 -51.71 3.16 16.76 -51.91 0.48 16.46 -52.05 -0.70 16.63 -53.06 1.46-999.99-999.99-999.99 1 0 16.76-999 ?-999 ?-999 ? CA CA C 208 mTHR.C 57 17.19 -50.76 0.98 17.41 -50.77 1.96 18.71 -49.59 -0.50 19.74 -49.78 0.16 17.34 -49.58 0.14 17.13 -48.26 0.91 2 0 14.37-999 ?-999 ?-999 ? CA CA C 208 mTHR~C 58 18.72 -49.39 -1.81 17.85 -49.08 -2.19 20.50 -48.28 -3.05 19.86 -47.24 -2.94 19.91 -49.60 -2.59 19.58 -50.48 -3.80 2 0 10.76-999 ?-999 ?-999 ? CA CA C 208 mTRP~C 59 21.73 -48.31 -3.54 22.15 -49.22 -3.57 21.54 -46.43 -5.10 21.55 -45.21 -5.25 22.38 -47.09 -3.98 23.83 -47.36 -4.40 3 0 8.04-999 ?-999 ?-999 ? CA CA C 208 mGLY~C 60 20.81 -47.24 -5.86 20.98 -48.21 -5.74 18.78 -45.85 -6.10 18.45 -44.74 -6.54 19.85 -46.69 -6.80-999.99-999.99-999.99 1 0 7.28-999 ?-999 ?-999 ? CA CA C 208 mASP~C 61 18.23 -46.38 -5.01 18.58 -47.29 -4.78 17.78 -44.36 -3.67 17.16 -43.30 -3.80 17.22 -45.66 -4.22 16.71 -46.53 -3.05 2 0 11.03-999 ?-999 ?-999 ? CA CA C 208 mVAL~C 62 18.95 -44.46 -3.05 19.34 -45.38 -3.09 20.02 -42.23 -3.34 19.94 -41.05 -3.00 19.60 -43.34 -2.39 20.81 -43.84 -1.59 3 0 11.36-999 ?-999 ?-999 ? CA CA C 208 mLYS~C 63 20.45 -42.59 -4.55 20.37 -43.57 -4.74 19.92 -40.67 -6.10 20.22 -39.52 -6.42 20.98 -41.61 -5.49 21.80 -42.28 -6.60 2 0 9.16-999 ?-999 ?-999 ? CA CA C 208 mGLU~C 64 18.68 -41.15 -6.26 18.58 -42.12 -6.08 17.27 -39.31 -5.52 17.17 -38.10 -5.70 17.59 -40.26 -6.66 16.33 -41.05 -7.03 2 0 11.38-999 ?-999 ?-999 ? CA CA C 208 mALA~C 65 17.14 -39.90 -4.34 17.30 -40.88 -4.36 17.78 -38.07 -2.77 17.59 -37.37 -1.77 16.79 -39.18 -3.13 16.65 -40.15 -1.97 2 0 14.31-999 ?-999 ?-999 ? CA CA C 208 mGLY.C 66 18.83 -37.90 -3.56 18.87 -38.52 -4.34 20.30 -36.18 -4.54 21.19 -35.32 -4.50 19.82 -36.88 -3.28-999.99-999.99-999.99 1 0 14.13-999 ?-999 ?-999 ? CA CA C 208 mLYS.C 67 19.69 -36.57 -5.66 18.97 -37.25 -5.51 21.52 -36.20 -7.30 22.05 -35.41 -8.09 20.04 -36.06 -6.98 19.62 -34.59 -7.12 2 0 12.96-999 ?-999 ?-999 ? CA CA C 208 mPHE.C 68 22.17 -37.21 -6.71 21.59 -37.79 -6.15 24.05 -37.68 -8.31 23.43 -38.45 -9.04 23.62 -37.43 -6.88 24.09 -38.62 -6.06 3 0 10.71-999 ?-999 ?-999 ? CA CA C 208 mSER^C 69 25.15 -37.04 -8.70 25.61 -36.52 -7.98 26.78 -38.12 -10.19 27.93 -37.81 -9.87 25.63 -37.12 -10.07 26.07 -35.74 -10.55 2 0 9.92-999 ?-999 ?-999 ? CA CA C 208 mGLU^C 70 26.48 -39.33 -10.66 25.53 -39.42 -10.97 28.25 -40.45 -12.03 27.67 -40.30 -13.10 27.45 -40.42 -10.71 26.77 -41.76 -10.45 2 0 -6.86-999 ?-999 ?-999 ? CA CA C 208s mTRP^C 71 29.56 -40.63 -11.95 29.90 -40.74 -11.01 31.45 -41.81 -13.09 31.72 -42.36 -12.03 30.41 -40.67 -13.15 31.12 -39.32 -13.35 3 0 8.18-999 ?-999 ?-999 ? CA CA C 208 mGLY^C 72 32.03 -42.17 -14.22 31.75 -41.64 -15.03 33.80 -43.35 -15.50 33.29 -43.20 -16.59 32.98 -43.26 -14.24-999.99-999.99-999.99 1 0 6.51-999 ?-999 ?-999 ? O21 C8E C 210 mGLN^C 73 35.09 -43.61 -15.36 35.42 -43.64 -14.41 36.95 -44.94 -16.36 37.18 -45.46 -15.26 35.92 -43.83 -16.53 36.59 -42.54 -16.99 2 0 6.65-999 ?-999 ?-999 ? C20 C8E C 210 mASN^C 74 37.54 -45.31 -17.50 37.19 -44.83 -18.30 39.58 -45.92 -18.68 39.21 -45.89 -19.87 38.60 -46.31 -17.60 38.01 -47.64 -17.99 2 0 -6.01-999 ?-999 ?-999 ? C20 C8E C 210s mVAL^C 75 40.81 -45.64 -18.29 40.92 -45.59 -17.29 42.72 -46.67 -19.25 43.28 -47.07 -18.24 41.88 -45.41 -19.23 42.71 -44.14 -18.90 3 0 9.52-999 ?-999 ?-999 ? C20 C8E C 210 mTHR^C 76 42.76 -47.31 -20.41 42.37 -46.80 -21.17 44.58 -48.65 -21.35 44.64 -48.09 -22.44 43.32 -48.65 -20.54 42.34 -49.57 -21.24 2 0 10.26-999 ?-999 ?-999 ? C20 C8E C 210 mLEU^C 77 45.59 -49.31 -20.82 45.40 -49.71 -19.92 46.91 -50.85 -22.03 46.66 -51.81 -21.31 46.86 -49.44 -21.51 48.01 -49.17 -20.54 3 0 13.69-999 ?-999 ?-999 ? C20 C8E C 210 mSER^C 78 47.18 -51.01 -23.31 47.54 -50.21 -23.78 48.05 -52.78 -24.85 48.53 -52.01 -25.68 46.95 -52.32 -23.90 45.58 -52.33 -24.60 2 0 15.19-999 ?-999 ?-999 ? C20 C8E C 210 mLEU^C 79 48.43 -54.04 -24.73 47.98 -54.55 -24.00 48.97 -55.97 -26.09 48.69 -56.84 -25.28 49.42 -54.61 -25.62 50.79 -54.70 -24.94 3 0 17.03-999 ?-999 ?-999 ? C1 C8E C 209 mASP^C 80 48.88 -56.14 -27.40 49.18 -55.34 -27.93 49.46 -57.97 -28.90 50.15 -57.27 -29.62 48.39 -57.38 -27.99 47.10 -57.14 -28.79 2 0 18.59-999 ?-999 ?-999 ? C1 C8E C 209 mVAL^C 81 49.60 -59.28 -28.85 49.12 -59.70 -28.08 49.46 -60.72 -30.84 48.69 -61.60 -30.48 50.39 -60.03 -29.82 51.26 -61.07 -29.07 3 0 18.61-999 ?-999 ?-999 ? O21 C8E A 209 mLEU^C 82 49.51 -60.29 -32.10 50.22 -59.61 -32.27 49.26 -61.92 -33.88 50.34 -61.75 -34.42 48.58 -60.81 -33.13 48.11 -59.72 -34.09 3 0 20.98-999 ?-999 ?-999 ? O21 C8E A 209 mTYR^C 83 48.64 -63.09 -33.89 47.80 -63.14 -33.35 48.60 -64.16 -36.06 47.39 -64.35 -36.23 49.18 -64.20 -34.65 48.88 -65.54 -33.98 3 0 20.12-999 ?-999 ?-999 ? O21 C8E A 209 mLYS.C 84 49.45 -63.91 -37.05 50.39 -63.78 -36.76 49.44 -65.06 -39.21 50.53 -65.09 -39.78 49.01 -63.83 -38.44 49.56 -62.57 -39.13 2 0 22.60-999 ?-999 ?-999 ? O21 C8E A 209 mPRO.C 85 48.56 -66.07 -39.23 47.74 -65.89 -38.68 49.13 -67.04 -41.43 48.28 -66.50 -42.14 48.76 -67.32 -39.97 47.37 -67.98 -39.91 3 0 23.23-999 ?-999 ?-999 ? O21 C8E A 209 mLEU.C 90 43.70 -64.63 -49.28 44.50 -64.96 -49.77 42.65 -62.67 -48.21 43.47 -62.26 -47.37 42.53 -64.14 -48.55 42.26 -64.95 -47.27 3 0 34.03-999 ?-999 ?-999 ? O21 C8E A 209 mPRO.C 91 41.79 -61.87 -48.85 41.13 -62.39 -49.40 41.48 -59.90 -47.38 41.83 -58.77 -47.07 41.77 -60.40 -48.78 40.61 -60.01 -49.73 3 0 -33.78-999 ?-999 ?-999 ? C16 C8E C 210s mVAL.C 92 40.85 -60.72 -46.53 40.66 -61.63 -46.89 41.33 -60.90 -44.13 41.18 -62.08 -43.87 40.48 -60.24 -45.20 38.99 -60.48 -44.90 3 0 30.05-999 ?-999 ?-999 ? C16 C8E C 210 mGLU^C 93 42.25 -60.14 -43.53 42.27 -59.20 -43.85 42.35 -60.87 -41.18 41.66 -59.96 -40.71 43.13 -60.68 -42.48 44.35 -59.76 -42.25 2 0 28.52-999 ?-999 ?-999 ? C13 C8E C 210 mVAL^C 94 42.46 -62.06 -40.60 43.05 -62.70 -41.09 42.77 -62.91 -38.30 43.12 -64.08 -38.31 41.78 -62.37 -39.35 40.64 -63.41 -39.57 3 0 25.60-999 ?-999 ?-999 ? C13 C8E C 210 mALA^C 95 43.21 -62.06 -37.40 42.80 -61.15 -37.44 43.71 -62.61 -34.98 43.29 -61.63 -34.34 44.22 -62.46 -36.43 45.39 -61.49 -36.49 2 0 23.89-999 ?-999 ?-999 ? C13 C8E C 210 mPRO^C 96 43.73 -63.85 -34.46 43.85 -64.59 -35.12 44.75 -63.32 -32.30 45.85 -63.23 -32.84 43.60 -64.05 -33.01 43.78 -65.57 -32.81 3 0 21.33-999 ?-999 ?-999 ? C13 C8E C 210 mTYR^C 97 44.49 -62.80 -31.11 43.55 -62.87 -30.79 45.43 -62.42 -28.87 44.36 -62.79 -28.41 45.57 -62.18 -30.37 45.62 -60.71 -30.69 3 0 19.57-999 ?-999 ?-999 ? C13 C8E C 210 mPHE^C 98 46.50 -62.22 -28.12 47.34 -62.02 -28.63 47.36 -61.20 -26.17 48.26 -60.79 -26.88 46.43 -62.29 -26.67 46.90 -63.65 -26.15 3 0 17.21-999 ?-999 ?-999 ? C1 C8E C 209 mGLY^C 99 47.14 -60.73 -24.96 46.36 -61.11 -24.47 47.73 -59.33 -23.01 46.86 -59.91 -22.35 48.01 -59.71 -24.45-999.99-999.99-999.99 1 0 14.83-999 ?-999 ?-999 ? C1 C8E C 209 mVAL^C 100 48.49 -58.34 -22.56 49.11 -57.97 -23.24 47.81 -56.40 -21.24 47.84 -55.74 -22.27 48.42 -57.82 -21.21 49.84 -57.91 -20.58 3 0 11.85-999 ?-999 ?-999 ? C1 C8E C 209 mARG^C 101 47.21 -55.96 -20.14 47.22 -56.62 -19.39 46.90 -54.07 -18.68 47.14 -54.80 -17.74 46.59 -54.64 -20.04 45.07 -54.72 -20.09 2 0 11.85-999 ?-999 ?-999 ? C1 C8E C 209 mTYR^C 102 46.88 -52.75 -18.60 46.84 -52.30 -19.49 45.84 -50.96 -17.39 45.83 -50.14 -18.29 46.91 -52.02 -17.34 48.25 -51.33 -17.11 3 0 10.94-999 ?-999 ?-999 ? C2 C8E C 209 mASN^C 103 44.94 -50.98 -16.42 45.10 -51.66 -15.70 43.78 -49.10 -15.27 44.01 -49.44 -14.11 43.81 -50.07 -16.43 42.54 -50.86 -16.42 2 0 9.07-999 ?-999 ?-999 ? C20 C8E C 210 mPHE^C 104 43.47 -47.85 -15.61 43.46 -47.68 -16.59 41.68 -46.65 -14.48 41.10 -45.97 -15.29 43.16 -46.85 -14.60 43.84 -45.55 -14.98 3 0 8.95-999 ?-999 ?-999 ? C20 C8E C 210 mPHE^C 105 41.06 -47.25 -13.47 41.64 -47.89 -12.97 39.50 -45.85 -12.11 40.16 -45.83 -11.08 39.66 -46.97 -13.14 39.01 -48.20 -12.55 3 0 -6.05-999 ?-999 ?-999 ? C20 C8E C 210s mSER^C 106 38.61 -44.92 -12.40 38.26 -44.94 -13.34 36.75 -43.55 -11.64 36.30 -43.54 -12.79 38.19 -43.96 -11.39 39.08 -42.73 -11.41 2 0 7.50-999 ?-999 ?-999 ? O21 C8E C 210 mGLY^C 107 36.05 -43.21 -10.57 36.56 -43.24 -9.72 34.18 -42.30 -9.32 34.97 -41.79 -8.55 34.65 -42.83 -10.66-999.99-999.99-999.99 1 0 7.61-999 ?-999 ?-999 ? O21 C8E C 210 mGLY^C 108 32.89 -42.44 -9.05 32.38 -42.94 -9.75 31.09 -41.01 -8.12 30.50 -41.08 -9.20 32.28 -41.91 -7.84-999.99-999.99-999.99 1 0 9.19-999 ?-999 ?-999 ? CA CA C 208 mTYR^C 109 30.73 -40.18 -7.15 31.28 -40.26 -6.32 29.94 -37.84 -6.76 30.67 -37.69 -5.78 29.62 -39.23 -7.31 28.33 -39.76 -6.67 3 0 9.68-999 ?-999 ?-999 ? CA CA C 208 mTHR^C 110 29.40 -36.81 -7.41 28.92 -37.05 -8.25 28.14 -34.95 -6.54 27.12 -35.59 -6.78 29.51 -35.46 -6.90 30.09 -34.47 -7.91 2 0 12.99-999 ?-999 ?-999 ? CA CA C 208 mASP.C 111 28.14 -33.75 -5.98 29.02 -33.28 -5.99 26.63 -31.80 -5.93 27.37 -30.84 -5.66 26.94 -33.20 -5.40 27.11 -33.17 -3.90 2 0 15.08-999 ?-999 ?-999 ? CA CA C 208 mPRO.C 112 25.53 -31.67 -6.70 25.02 -32.52 -6.83 24.11 -29.73 -6.37 23.63 -28.64 -6.66 25.14 -30.40 -7.28 24.48 -30.82 -8.60 3 0 17.07-999 ?-999 ?-999 ? CA CA C 208 mGLU.C 113 23.80 -30.43 -5.27 24.31 -31.28 -5.20 21.44 -30.63 -4.58 21.09 -30.78 -5.75 22.82 -30.01 -4.26 22.77 -28.49 -4.10 2 0 18.58-999 ?-999 ?-999 ? CA CA C 208 mASP.C 114 20.65 -30.94 -3.55 19.94 -31.61 -3.79 21.76 -31.04 -1.18 22.98 -31.03 -1.37 20.79 -30.37 -2.20 19.39 -30.14 -1.59 2 0 19.54-999 ?-999 ?-999 ? CA CA C 208 mASN.C 115 21.22 -31.55 -0.08 20.22 -31.61 -0.11 23.22 -32.77 0.62 23.19 -33.27 -0.49 22.02 -31.99 1.07 21.18 -32.86 2.02 2 0 19.79-999 ?-999 ?-999 ? CA CA C 208 mLEU.C 116 24.25 -32.88 1.46 24.11 -32.37 2.31 26.70 -33.08 1.82 27.81 -33.39 1.41 25.46 -33.67 1.16 25.74 -33.77 -0.35 3 0 18.29-999 ?-999 ?-999 ? CA CA C 208 mTHR.C 117 26.50 -32.23 2.82 25.60 -32.30 3.23 28.21 -30.62 2.04 29.30 -30.04 2.14 27.55 -31.30 3.26 28.58 -31.92 4.27 2 0 21.56-999 ?-999 ?-999 ? CA CA C 208 mILE.C 118 27.52 -30.70 0.90 26.71 -31.28 0.98 29.28 -30.38 -0.90 30.18 -29.54 -0.86 27.89 -30.01 -0.35 27.81 -28.46 -0.19 3 0 20.38-999 ?-999 ?-999 ? CA CA C 208 mLYS.C 119 29.47 -31.60 -1.43 28.64 -32.14 -1.55 30.91 -33.18 -2.87 29.96 -33.46 -3.61 30.81 -32.05 -1.80 31.51 -32.48 -0.53 2 0 18.52-999 ?-999 ?-999 ? CA CA C 208 mALA^C 120 32.06 -33.83 -2.95 32.74 -33.55 -2.27 33.06 -36.10 -3.48 33.93 -36.03 -2.61 32.30 -34.87 -3.98 33.01 -34.28 -5.18 2 0 15.74-999 ?-999 ?-999 ? CA CA C 208 mGLN^C 121 32.73 -37.26 -4.04 31.97 -37.21 -4.68 34.04 -39.20 -4.95 33.39 -39.29 -5.99 33.47 -38.48 -3.72 32.60 -39.41 -2.88 2 0 13.96-999 ?-999 ?-999 ? CA CA C 208 mTHR^C 122 35.27 -39.69 -4.81 35.65 -39.55 -3.90 36.61 -41.68 -5.45 37.26 -41.72 -4.41 35.98 -40.36 -5.91 37.11 -39.47 -6.52 2 0 12.44-999 ?-999 ?-999 ? O21 C8E C 210 mILE^C 123 36.39 -42.76 -6.21 35.71 -42.64 -6.93 38.00 -44.30 -7.17 37.62 -44.00 -8.31 37.10 -44.02 -5.97 36.14 -45.20 -5.73 3 0 10.23-999 ?-999 ?-999 ? O21 C8E C 210 mSER^C 124 39.20 -44.84 -6.91 39.44 -44.90 -5.95 40.73 -46.63 -7.72 40.92 -47.00 -6.57 40.05 -45.29 -8.01 41.06 -44.22 -8.40 2 0 9.50-999 ?-999 ?-999 ? O21 C8E C 210 mSER^C 125 41.05 -47.37 -8.78 40.79 -46.95 -9.65 42.55 -48.88 -9.94 42.07 -48.74 -11.06 41.72 -48.67 -8.69 40.71 -49.81 -8.47 2 0 9.35-999 ?-999 ?-999 ? O21 C8E C 210 mASN^C 126 43.83 -49.20 -9.76 44.11 -49.22 -8.80 44.98 -51.00 -10.99 45.31 -51.63 -10.01 44.71 -49.50 -10.90 46.00 -48.72 -10.75 2 0 10.08-999 ?-999 ?-999 ? C2 C8E C 209 mGLN^C 127 44.81 -51.59 -12.16 44.73 -50.99 -12.95 45.46 -53.61 -13.41 45.39 -53.04 -14.49 44.75 -53.04 -12.21 43.31 -53.50 -12.28 2 0 7.39-999 ?-999 ?-999 ? C2 C8E C 209 mLEU^C 128 46.11 -54.75 -13.20 46.19 -55.00 -12.23 45.59 -56.49 -14.88 44.83 -57.13 -14.16 46.66 -55.56 -14.27 47.85 -56.39 -13.76 3 0 6.45-999 ?-999 ?-999 ? C2 C8E C 209 mGLY^C 129 45.54 -56.56 -16.21 46.18 -55.97 -16.69 45.28 -58.32 -17.89 46.40 -58.03 -18.31 44.60 -57.45 -16.86-999.99-999.99-999.99 1 0 8.32-999 ?-999 ?-999 ? C1 C8E C 209 mLEU^C 130 44.60 -59.38 -18.28 43.79 -59.57 -17.74 43.84 -60.35 -20.35 42.67 -60.33 -19.91 45.03 -60.21 -19.41 45.47 -61.60 -18.95 3 0 10.12-999 ?-999 ?-999 ? C1 C8E C 209 mGLY^C 131 44.12 -60.53 -21.64 45.09 -60.52 -21.88 43.38 -61.49 -23.84 44.55 -61.67 -24.20 43.06 -60.72 -22.58-999.99-999.99-999.99 1 0 12.25-999 ?-999 ?-999 ? C13 C8E C 210 mLEU^C 132 42.33 -61.94 -24.52 41.45 -61.92 -24.03 41.37 -61.84 -26.72 40.54 -61.12 -26.22 42.48 -62.41 -25.87 42.56 -63.92 -25.92 3 0 14.71-999 ?-999 ?-999 ? C13 C8E C 210 mGLY^C 133 41.38 -62.10 -28.01 42.08 -62.75 -28.30 40.68 -61.89 -30.33 41.59 -62.67 -30.60 40.42 -61.48 -28.89-999.99-999.99-999.99 1 0 15.62-999 ?-999 ?-999 ? C13 C8E C 210 mVAL^C 134 39.85 -61.38 -31.24 39.07 -60.88 -30.87 40.05 -60.22 -33.39 39.13 -59.42 -33.23 40.06 -61.56 -32.67 39.04 -62.51 -33.29 3 0 18.80-999 ?-999 ?-999 ? C13 C8E C 210 mARG^C 135 41.10 -59.96 -34.16 41.82 -60.66 -34.14 40.94 -59.07 -36.44 41.55 -59.98 -36.98 41.17 -58.74 -34.96 42.50 -58.03 -34.71 2 0 20.55-999 ?-999 ?-999 ? C13 C8E C 210 mALA^C 136 40.02 -58.37 -37.08 39.59 -57.66 -36.53 39.93 -57.39 -39.27 39.33 -56.37 -39.00 39.69 -58.64 -38.49 38.27 -59.07 -38.64 2 0 23.23-999 ?-999 ?-999 ? C16 C8E C 210 mALA^C 137 40.85 -57.43 -40.23 41.30 -58.32 -40.37 40.78 -56.40 -42.48 41.17 -57.42 -43.08 41.11 -56.22 -41.00 42.54 -55.78 -40.81 2 0 25.53-999 ?-999 ?-999 ? C16 C8E C 210 mTYR^C 138 40.03 -55.47 -43.07 39.59 -54.81 -42.46 40.26 -54.20 -45.35 39.82 -53.09 -45.04 39.91 -55.47 -44.54 38.77 -56.37 -45.06 3 0 28.42-999 ?-999 ?-999 ? C16 C8E C 210 mPRO^C 139 41.15 -54.38 -46.33 41.51 -55.32 -46.29 40.50 -52.61 -47.94 39.58 -53.16 -48.52 41.62 -53.45 -47.36 42.10 -54.40 -48.45 3 0 31.47-999 ?-999 ?-999 ? C16 C8E C 210 mLEU^C 140 40.57 -51.31 -47.76 41.27 -51.00 -47.12 40.42 -49.74 -49.63 40.19 -50.04 -50.79 39.65 -50.42 -48.47 39.05 -49.36 -47.54 3 0 32.10-999 ?-999 ?-999 ? C16 C8E C 210 mMET^C 141 41.31 -48.81 -49.29 41.22 -48.49 -48.34 43.63 -48.99 -49.91 43.71 -49.81 -48.99 42.31 -48.30 -50.21 42.47 -46.80 -50.03 2 0 34.66-999 ?-999 ?-999 ? C16 C8E C 210 mPRO.C 142 44.67 -48.71 -50.69 44.50 -48.19 -51.53 46.39 -48.28 -49.06 46.19 -47.06 -49.18 45.96 -49.19 -50.20 46.88 -49.02 -51.41 3 0 35.77-999 ?-999 ?-999 ? C16 C8E C 210 mASN.C 143 46.92 -48.84 -47.98 47.05 -49.83 -48.05 46.09 -47.69 -45.90 46.26 -47.00 -44.91 47.28 -48.04 -46.80 48.00 -46.73 -47.20 2 0 33.38-999 ?-999 ?-999 ? C16 C8E C 210 mLEU^C 144 44.89 -48.14 -46.25 44.87 -48.64 -47.12 42.87 -49.20 -45.22 42.55 -49.88 -46.17 43.71 -47.92 -45.41 42.83 -46.80 -45.96 3 0 30.68-999 ?-999 ?-999 ? C16 C8E C 210 mSER^C 145 42.53 -49.51 -43.97 42.76 -48.81 -43.30 40.71 -50.56 -42.68 40.83 -49.83 -41.71 41.87 -50.77 -43.64 42.86 -51.71 -42.98 2 0 28.07-999 ?-999 ?-999 ? C16 C8E C 210 mLEU^C 146 39.59 -51.21 -42.95 39.55 -51.61 -43.87 38.94 -52.38 -40.97 39.46 -53.45 -41.35 38.52 -51.29 -41.97 37.20 -51.66 -42.63 3 0 25.47-999 ?-999 ?-999 ? C16 C8E C 210 mVAL^C 147 38.76 -52.09 -39.68 38.31 -51.22 -39.50 38.04 -53.30 -37.73 37.36 -52.39 -37.29 39.20 -53.01 -38.65 40.33 -52.40 -37.79 3 0 22.43-999 ?-999 ?-999 ? C16 C8E C 210 mGLY^C 148 37.84 -54.58 -37.45 38.44 -55.19 -37.97 37.54 -55.87 -35.40 38.40 -56.70 -35.65 36.86 -55.05 -36.49-999.99-999.99-999.99 1 0 19.87-999 ?-999 ?-999 ? C16 C8E C 210 mASP^C 149 37.13 -55.65 -34.17 36.33 -55.06 -34.09 36.81 -56.70 -32.04 36.00 -55.89 -31.58 37.83 -56.26 -33.06 38.72 -55.19 -32.44 2 0 17.08-999 ?-999 ?-999 ? C16 C8E C 210 mLEU^C 150 36.83 -57.99 -31.71 37.36 -58.57 -32.34 37.12 -59.13 -29.56 37.90 -59.99 -29.94 36.13 -58.51 -30.53 35.05 -59.52 -30.91 3 0 14.98-999 ?-999 ?-999 ? C16 C8E C 210 mGLY^C 151 37.08 -58.71 -28.30 36.42 -57.99 -28.12 37.33 -59.44 -25.93 36.33 -58.80 -25.62 37.96 -59.28 -27.29-999.99-999.99-999.99 1 0 12.60-999 ?-999 ?-999 ? C13 C8E C 210 mVAL^C 152 37.91 -60.31 -25.12 38.62 -60.85 -25.56 38.74 -60.22 -22.79 39.79 -60.78 -23.04 37.53 -60.45 -23.70 36.95 -61.84 -23.42 3 0 9.87-999 ?-999 ?-999 ? C13 C8E C 210 mASP^C 153 38.61 -59.40 -21.76 37.69 -59.00 -21.69 39.39 -59.50 -19.40 38.24 -59.38 -18.98 39.73 -59.12 -20.84 40.09 -57.62 -20.90 2 0 8.25-999 ?-999 ?-999 ? C13 C8E C 210 mTYR^C 154 40.37 -59.96 -18.64 41.22 -60.15 -19.12 41.07 -59.25 -16.36 42.31 -59.27 -16.53 40.15 -60.14 -17.19 40.37 -61.58 -16.76 3 0 -7.66-999 ?-999 ?-999 ? C13 C8E C 210s mTYR^C 155 40.49 -58.47 -15.46 39.49 -58.45 -15.49 41.41 -58.27 -13.11 40.38 -58.47 -12.46 41.35 -57.71 -14.51 40.98 -56.23 -14.46 3 0 6.21-999 ?-999 ?-999 ? C11 C8E C 209 mPHE.C 156 42.62 -58.53 -12.65 43.34 -58.49 -13.35 42.47 -57.70 -10.27 42.77 -56.53 -10.53 42.84 -58.84 -11.23 44.26 -59.25 -10.99 3 0 3.71-999 ?-999 ?-999 ? C7 C8E C 209 mGLN.C 157 41.84 -58.04 -9.16 41.60 -59.01 -9.10 42.80 -56.53 -7.49 43.80 -57.26 -7.36 41.53 -57.04 -8.14 40.66 -57.62 -7.05 2 0 -3.85-999 ?-999 ?-999 ? C11 C8E C 209s mALA.C 158 42.70 -55.28 -7.05 41.76 -54.93 -7.06 43.27 -53.51 -5.53 42.07 -53.47 -5.28 43.81 -54.47 -6.60 44.31 -53.67 -7.75 2 0 5.44-999 ?-999 ?-999 ? C3 C8E C 209 mCSS.C 159 44.16 -52.72 -4.95 45.10 -52.89 -5.24 42.77 -50.73 -4.53 42.81 -50.41 -5.71 43.78 -51.71 -3.96 45.03 -50.96 -3.43 2 0 8.60-999 ?-999 ?-999 ? C3 C8E C 209 mPHE^C 160 41.88 -50.25 -3.66 41.87 -50.76 -2.79 41.41 -47.90 -3.10 41.54 -47.98 -1.88 40.99 -49.12 -3.92 39.55 -49.46 -3.52 3 0 9.44-999 ?-999 ?-999 ? O21 C8E C 209 mTHR^C 161 41.61 -46.77 -3.76 41.54 -46.88 -4.75 40.71 -44.51 -3.20 40.30 -44.10 -4.30 41.89 -45.49 -3.13 43.10 -44.85 -3.80 2 0 12.67-999 ?-999 ?-999 ? O21 C8E C 209 mARG^C 162 40.18 -44.12 -2.04 40.65 -44.49 -1.25 39.40 -41.79 -1.58 40.18 -41.58 -0.66 39.01 -43.21 -1.96 37.95 -43.73 -0.97 2 0 13.56-999 ?-999 ?-999 ? O21 C8E C 209 mVAL^C 163 38.83 -40.83 -2.28 38.25 -41.14 -3.03 37.72 -38.65 -1.72 36.88 -38.53 -2.61 39.04 -39.42 -1.94 39.98 -38.74 -2.97 3 0 16.55-999 ?-999 ?-999 ? O21 C8E C 210 mGLU^C 164 37.56 -38.15 -0.50 38.31 -38.35 0.12 36.70 -35.88 -0.24 37.84 -35.47 -0.01 36.38 -37.36 -0.14 35.98 -37.71 1.29 2 0 18.38-999 ?-999 ?-999 ? CA CA C 208 mGLU^C 165 35.73 -35.06 -0.62 34.88 -35.52 -0.88 35.00 -32.83 0.30 33.85 -33.22 0.48 35.94 -33.61 -0.65 35.88 -33.04 -2.07 2 0 20.08-999 ?-999 ?-999 ? CA CA C 208 mASP.C 166 35.53 -31.77 0.90 36.49 -31.64 0.67 34.14 -29.73 1.05 34.55 -29.40 -0.07 34.80 -30.87 1.80 35.75 -30.25 2.83 2 0 22.80-999 ?-999 ?-999 ? CA CA C 208 mASP.C 167 33.14 -29.11 1.68 32.85 -29.55 2.52 33.58 -26.77 1.04 33.59 -26.03 0.06 32.53 -27.88 1.17 31.39 -27.44 2.08 2 0 23.91-999 ?-999 ?-999 ? CA CA C 208 mSER.C 168 34.45 -26.67 2.05 34.26 -27.28 2.81 36.69 -26.17 1.04 37.63 -25.41 0.80 35.58 -25.74 2.02 36.19 -25.62 3.41 2 0 27.06-999 ?-999 ?-999 ? CA CA C 208 mGLY.C 169 36.58 -27.38 0.50 35.79 -27.90 0.81 38.49 -28.95 0.05 39.14 -29.64 -0.73 37.55 -27.87 -0.47-999.99-999.99-999.99 1 0 25.10-999 ?-999 ?-999 ? CA CA C 208 mASN.C 170 38.54 -29.10 1.38 37.90 -28.52 1.88 39.30 -31.50 1.67 38.27 -32.13 1.96 39.47 -30.03 2.04 39.40 -29.88 3.55 2 0 25.75-999 ?-999 ?-999 ? CA CA C 208 mLYS^C 171 40.36 -32.06 1.07 41.12 -31.43 0.94 41.00 -34.36 1.71 41.96 -34.01 2.39 40.39 -33.45 0.65 41.17 -33.57 -0.66 2 0 22.72-999 ?-999 ?-999 ? O21 C8E C 210 mSER^C 172 40.41 -35.54 1.85 39.54 -35.62 1.37 41.08 -37.94 1.84 40.28 -38.20 0.93 41.00 -36.60 2.65 40.20 -36.76 3.94 2 0 21.80-999 ?-999 ?-999 ? O21 C8E C 209 mGLN^C 173 42.04 -38.79 2.19 42.55 -38.52 3.00 42.43 -41.25 2.28 42.95 -41.22 3.39 42.30 -40.00 1.41 43.54 -39.83 0.52 2 0 18.97-999 ?-999 ?-999 ? O21 C8E C 209 mSER^C 174 41.91 -42.35 1.78 41.48 -42.23 0.88 42.02 -44.72 1.44 41.79 -44.48 0.25 41.96 -43.62 2.49 40.74 -43.80 3.38 2 0 16.88-999 ?-999 ?-999 ? O21 C8E C 209 mSER^C 175 42.34 -45.93 1.86 42.50 -46.05 2.84 42.23 -48.31 1.50 42.22 -48.44 2.71 42.43 -46.97 0.86 43.78 -46.90 0.12 2 0 14.13-999 ?-999 ?-999 ? O21 C8E C 209 mVAL^C 176 42.06 -49.32 0.67 42.05 -49.09 -0.31 42.43 -51.62 0.14 42.37 -51.35 -1.06 41.89 -50.64 1.19 40.42 -50.85 1.56 3 0 12.49-999 ?-999 ?-999 ? O21 C8E C 209 mCSS.C 177 43.01 -52.73 0.59 42.93 -52.85 1.58 43.20 -55.08 -0.02 42.74 -55.39 1.06 43.69 -53.67 -0.28 45.19 -53.63 0.02 2 0 9.28-999 ?-999 ?-999 ? C5 C8E C 209 mPRO.C 178 43.30 -55.95 -1.02 43.52 -55.55 -1.91 44.05 -57.78 0.39 45.17 -57.28 0.34 43.10 -57.38 -0.74 43.60 -58.06 -2.02 3 0 6.87-999 ?-999 ?-999 ? C5 C8E C 209 mGLY.C 179 43.69 -58.57 1.40 44.47 -59.03 1.82 42.39 -58.08 3.23 42.61 -58.66 4.28 42.35 -58.77 1.88-999.99-999.99-999.99 1 0 9.08-999 ?-999 ?-999 ? C5 C8E C 209 mASP.C 180 42.24 -56.77 3.18 42.25 -56.38 2.26 40.65 -56.19 4.83 39.80 -56.65 4.07 42.07 -55.96 4.35 42.24 -54.49 3.97 2 0 12.19-999 ?-999 ?-999 ? C5 C8E C 209 mSER.C 181 40.37 -55.81 6.07 41.10 -55.32 6.54 37.91 -55.66 5.80 37.02 -56.46 5.49 39.09 -56.11 6.67 39.02 -55.53 8.06 2 0 14.89-999 ?-999 ?-999 ? C14 C8E C 209 mGLY~C 182 37.89 -54.40 5.40 38.67 -53.83 5.66 36.64 -54.37 3.14 35.75 -53.91 2.44 36.73 -53.96 4.63-999.99-999.99-999.99 1 0 12.84-999 ?-999 ?-999 ? O21 C8E C 209 mTYR~C 183 37.55 -55.22 2.66 38.06 -55.75 3.34 36.58 -55.88 0.45 36.07 -55.18 -0.41 37.76 -55.33 1.23 39.05 -56.07 0.87 3 0 9.65-999 ?-999 ?-999 ? C14 C8E C 209 mGLU~C 184 36.16 -57.10 0.75 36.66 -57.53 1.49 33.80 -56.88 -0.22 33.20 -56.94 -1.29 35.04 -57.75 0.01 34.60 -59.06 0.68 2 0 7.77-999 ?-999 ?-999 ? C14 C8E C 209 mASP~C 185 33.42 -56.07 0.76 33.97 -56.13 1.59 32.54 -54.09 -0.42 31.74 -53.89 -1.32 32.28 -55.18 0.60 31.89 -54.53 1.93 2 0 8.85-999 ?-999 ?-999 ? O21 C8E C 209 mVAL~C 186 33.64 -53.37 -0.26 34.18 -53.62 0.54 34.06 -52.89 -2.60 33.60 -52.26 -3.57 34.01 -52.32 -1.19 35.37 -51.74 -0.81 3 0 7.12-999 ?-999 ?-999 ? O21 C8E C 209 mASN~C 187 34.61 -54.09 -2.71 34.92 -54.49 -1.85 33.40 -55.11 -4.64 33.27 -55.02 -5.86 34.73 -54.75 -3.99 35.59 -56.00 -3.84 2 0 -4.03-999 ?-999 ?-999 ? O21 C8E C 209s mLYS~C 188 32.43 -55.55 -3.84 32.73 -55.68 -2.89 30.41 -54.54 -4.76 29.77 -54.49 -5.80 31.07 -55.82 -4.30 30.21 -56.46 -3.21 2 0 4.87-999 ?-999 ?-999 ? C17 C8E C 209 mPHE~C 189 30.57 -53.50 -3.98 31.23 -53.63 -3.24 30.43 -51.56 -5.44 29.70 -51.18 -6.35 29.84 -52.28 -4.22 29.86 -51.43 -2.93 3 0 6.22-999 ?-999 ?-999 ? O21 C8E C 209 mVAL~C 190 31.75 -51.39 -5.47 32.22 -51.83 -4.71 32.51 -51.50 -7.79 32.92 -52.66 -7.74 32.42 -50.64 -6.54 33.86 -50.25 -6.13 3 0 4.46-999 ?-999 ?-999 ? O21 C8E C 209 mTHR.C 191 32.15 -50.93 -8.92 31.88 -49.97 -8.86 33.38 -51.40 -11.01 33.24 -50.88 -12.10 32.16 -51.72 -10.15 30.86 -51.53 -10.97 2 0 3.30-999 ?-999 ?-999 ? C20 C8E C 209s mGLN.C 192 34.58 -51.71 -10.51 34.58 -52.05 -9.57 35.89 -52.77 -12.23 35.27 -53.79 -11.97 35.76 -51.53 -11.32 37.01 -51.28 -10.45 2 0 3.63-999 ?-999 ?-999 ? O21 C8E C 210s mPRO.C 193 36.67 -52.67 -13.30 37.12 -51.79 -13.43 37.13 -55.16 -13.47 37.99 -55.26 -12.56 36.81 -53.83 -14.18 37.98 -53.45 -15.10 3 0 -3.39-999 ?-999 ?-999 ? C13 C8E C 210s mGLU.C 194 36.42 -56.18 -13.94 35.64 -55.90 -14.49 36.77 -58.30 -15.02 37.84 -58.38 -15.63 36.74 -57.56 -13.67 35.79 -58.17 -12.63 2 0 3.46-999 ?-999 ?-999 ? C11 C8E C 210s mTRP^C 195 35.63 -58.81 -15.51 34.88 -58.81 -14.85 35.00 -58.19 -17.78 33.98 -57.60 -17.49 35.49 -59.30 -16.90 34.51 -60.46 -16.99 3 0 -3.98-999 ?-999 ?-999 ? C11 C8E C 210s mVAL^C 196 35.73 -57.88 -18.84 36.54 -58.46 -18.94 35.17 -57.36 -21.17 36.01 -58.13 -21.66 35.37 -56.79 -19.77 36.46 -55.72 -19.83 3 0 4.27-999 ?-999 ?-999 ? C13 C8E C 210 mLEU^C 197 34.04 -57.02 -21.79 33.38 -56.55 -21.20 34.28 -56.17 -24.06 34.03 -55.01 -23.73 33.79 -57.32 -23.19 32.31 -57.51 -23.41 3 0 7.59-999 ?-999 ?-999 ? C13 C8E C 210 mLYS^C 198 34.99 -56.48 -25.15 35.18 -57.45 -25.25 34.80 -55.63 -27.49 34.86 -56.72 -28.06 35.43 -55.44 -26.10 36.94 -55.46 -26.22 2 0 9.75-999 ?-999 ?-999 ? C16 C8E C 210 mLEU^C 199 34.17 -54.58 -28.01 34.05 -53.81 -27.38 34.00 -53.27 -30.07 33.43 -52.28 -29.71 33.71 -54.59 -29.41 32.21 -54.84 -29.49 3 0 12.35-999 ?-999 ?-999 ? C16 C8E C 210 mARG^C 200 34.90 -53.25 -31.04 35.27 -54.14 -31.29 35.38 -52.05 -33.18 35.74 -53.08 -33.74 35.28 -51.98 -31.66 36.61 -51.48 -31.08 2 0 14.67-999 ?-999 ?-999 ? C16 C8E C 210 mLEU^C 201 35.01 -50.95 -33.84 34.67 -50.23 -33.23 35.96 -49.58 -35.47 35.86 -48.63 -34.69 35.11 -50.78 -35.28 33.73 -50.51 -35.88 3 0 18.30-999 ?-999 ?-999 ? C16 C8E C 210 mGLY^C 202 36.82 -49.60 -36.47 36.81 -50.43 -37.02 38.50 -48.63 -37.97 38.21 -49.54 -38.76 37.69 -48.46 -36.70-999.99-999.99-999.99 1 0 20.55-999 ?-999 ?-999 ? C16 C8E C 210 mALA^C 203 39.51 -47.77 -38.15 39.66 -47.15 -37.39 41.79 -47.81 -39.07 42.23 -47.26 -38.08 40.30 -47.76 -39.37 39.98 -46.52 -40.19 2 0 23.96-999 ?-999 ?-999 ? C16 C8E C 210 mALA^C 204 42.57 -48.44 -39.93 42.09 -48.94 -40.65 44.76 -47.87 -41.03 44.76 -48.50 -42.10 44.01 -48.39 -39.77 44.55 -49.75 -39.34 2 0 25.66-999 ?-999 ?-999 ? C16 C8E C 210 mTYR^C 205 45.39 -46.70 -40.87 45.24 -46.30 -39.96 47.65 -46.50 -41.77 48.22 -46.46 -40.69 46.21 -46.04 -41.89 46.14 -44.52 -41.73 3 0 28.98-999 ?-999 ?-999 ? C16 C8E C 210 mARG^C 206 48.23 -46.94 -42.88 47.61 -47.02 -43.66 50.54 -46.04 -43.05 50.19 -45.07 -43.73 49.65 -47.29 -42.92 49.92 -48.29 -44.05 2 0 31.33-999 ?-999 ?-999 ? C19 C8E C 210 mPHE.C 207 51.69 -46.07 -42.38 51.87 -46.94 -41.92 54.04 -45.35 -42.26 54.38 -46.34 -41.61 52.57 -44.92 -42.33 52.22 -43.99 -41.15 3 0 32.75-999 ?-999 ?-999 ? C19 C8E C 210