HEADER METAL BINDING PROTEIN 22-MAY-08 3D82 COMPND CUPIN 2, CONSERVED BARREL DOMAIN PROTEIN; COMPND 3 CHAIN: A, B, C, D, E; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA NCIMB 400; SOURCE 3 ORGANISM_TAXID: 318167; SOURCE 4 GENE: YP_752209.1, SFRI_3543; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 27 8 HET MSE A 56 8 HET MSE A 76 8 HET MSE A 88 8 HET MSE A 96 8 HET MSE B 1 8 HET MSE B 27 8 HET MSE B 56 8 HET MSE B 76 8 HET MSE B 88 8 HET MSE B 96 8 HET MSE C 1 8 HET MSE C 27 8 HET MSE C 56 8 HET MSE C 76 8 HET MSE C 88 8 HET MSE C 96 8 HET MSE D 1 8 HET MSE D 27 8 HET MSE D 56 8 HET MSE D 76 8 HET MSE D 88 8 HET MSE D 96 8 HET MSE E 1 8 HET MSE E 27 8 HET MSE E 56 8 HET MSE E 76 8 HET MSE E 88 8 HET MSE E 96 8 HET NI A 500 1 HET NI B 500 1 HET NI C 500 1 HET NI D 500 1 HET NI E 500 1 HET UNL A 501 9 HET UNL B 501 9 HET UNL C 501 9 HET UNL D 501 9 HET UNL E 501 9 HET GOL D 502 6 HET GOL E 502 6 SITE 1 AC1 4 HIS A 44 HIS A 46 GLU A 51 HIS A 85 SITE 1 AC2 4 HIS B 44 HIS B 46 GLU B 51 HIS B 85 SITE 1 AC3 4 HIS C 44 HIS C 46 GLU C 51 HIS C 85 SITE 1 AC4 4 HIS D 44 HIS D 46 GLU D 51 HIS D 85 SITE 1 AC5 4 HIS E 44 HIS E 46 GLU E 51 HIS E 85 SITE 1 AC6 5 TRP A 19 HIS A 44 HIS A 46 GLU A 51 SITE 1 AC7 6 TRP B 19 HIS B 44 HIS B 46 GLU B 51 SITE 1 AC8 5 TRP C 19 HIS C 44 HIS C 46 GLU C 51 SITE 1 AC9 5 TRP D 19 HIS D 44 HIS D 46 GLU D 51 SITE 1 BC1 7 TRP E 19 HIS E 44 HIS E 46 GLU E 51 SITE 1 BC2 4 ASN D 9 PHE D 12 GLU D 57 GLY E 74 SITE 1 BC3 2 GLY D 74 GLY E 74 mGLY~A 0 -15.76 65.94 -14.91 -15.72 65.72 -15.88 -15.92 65.03 -12.58 -16.26 63.94 -13.07 -15.82 66.27 -13.45-999.99-999.99-999.99 1 0 31.13-999 ?-999 ?-999 ? O2 UNL A 501 mMETA 1 -15.64 65.21 -11.28 -15.44 66.17 -11.07 -16.94 63.34 -10.18 -16.90 62.12 -10.01 -15.64 64.12 -10.27 -15.29 64.67 -8.88 2 0 28.82-999 ?-999 ?-999 ? O2 UNL A 501 mGLN~A 2 -18.09 64.01 -10.32 -17.95 64.99 -10.45 -19.58 62.18 -11.28 -20.27 61.21 -10.98 -19.43 63.37 -10.28 -20.57 64.42 -10.47 2 0 28.32-999 ?-999 ?-999 ? O3 UNL A 501 mTHR~A 3 -18.91 62.27 -12.44 -18.44 63.15 -12.55 -18.15 59.94 -12.87 -18.41 58.83 -13.35 -18.86 61.18 -13.44 -18.14 61.61 -14.77 2 0 26.32-999 ?-999 ?-999 ? O3 UNL A 501 mLYS~A 4 -17.25 60.13 -11.89 -17.06 61.09 -11.71 -17.46 58.51 -9.94 -16.98 57.63 -9.24 -16.62 59.03 -11.14 -15.17 59.39 -10.71 2 0 23.80-999 ?-999 ?-999 ? O2 UNL A 501 mVAL~A 5 -18.67 59.06 -9.69 -18.87 59.86 -10.24 -20.20 57.22 -9.28 -20.76 57.24 -10.37 -19.60 58.50 -8.67 -20.77 59.44 -8.27 3 0 23.54-999 ?-999 ?-999 ? O3 UNL A 501 mILE.A 6 -20.11 56.13 -8.53 -19.75 56.29 -7.61 -21.78 54.36 -8.32 -21.82 54.32 -7.10 -20.51 54.81 -9.01 -19.37 53.81 -8.71 3 0 20.06-999 ?-999 ?-999 ? O3 UNL A 501 mASN~A 7 -22.82 54.05 -9.10 -22.64 54.23 -10.07 -24.06 51.99 -8.93 -24.00 51.61 -10.10 -24.08 53.49 -8.61 -25.27 54.23 -9.25 2 0 19.91-999 ?-999 ?-999 ? O3 UNL A 501 mPHE~A 8 -24.09 51.14 -7.89 -24.19 51.59 -7.01 -25.11 49.13 -8.95 -24.84 48.41 -9.91 -23.99 49.68 -8.07 -23.99 48.90 -6.74 3 0 16.49-999 ?-999 ?-999 ? O3 UNL A 501 mASN~A 9 -26.35 49.51 -8.64 -26.39 50.11 -7.85 -27.40 49.41 -10.91 -27.64 48.57 -11.77 -27.54 49.06 -9.41 -28.81 49.70 -8.80 2 0 17.87-999 ?-999 ?-999 ? O3 UNL A 501 mASP~A 10 -26.97 50.63 -11.20 -26.80 51.20 -10.40 -25.63 50.29 -13.30 -25.76 49.97 -14.49 -26.75 51.08 -12.60 -26.42 52.58 -12.65 2 0 19.21-999 ?-999 ?-999 ? O3 UNL A 501 mLYS~A 11 -24.53 50.00 -12.58 -24.55 50.35 -11.65 -23.82 47.78 -13.44 -23.37 47.23 -14.45 -23.42 49.22 -13.15 -22.16 49.26 -12.25 2 0 16.07-999 ?-999 ?-999 ? O3 UNL A 501 mPHE~A 12 -24.61 47.17 -12.55 -24.81 47.74 -11.75 -26.08 45.69 -13.93 -26.08 44.66 -14.61 -25.14 45.80 -12.73 -25.89 45.28 -11.48 3 0 14.11-999 ?-999 ?-999 ? O3 UNL A 501 mSER~A 13 -26.88 46.73 -14.19 -26.79 47.48 -13.53 -27.06 46.71 -16.69 -27.62 46.21 -17.66 -27.79 46.75 -15.34 -28.73 47.96 -15.28 2 0 17.21-999 ?-999 ?-999 ? O3 UNL A 501 mLEU~A 14 -25.83 47.21 -16.75 -25.51 47.57 -15.87 -24.47 45.85 -18.43 -23.89 45.78 -19.52 -25.02 47.22 -17.98 -23.84 48.22 -17.83 3 0 16.94-999 ?-999 ?-999 ? O3 UNL A 501 mPHE.A 15 -24.61 44.79 -17.63 -25.07 44.98 -16.76 -24.98 42.33 -17.61 -25.75 42.38 -16.65 -24.10 43.49 -18.03 -22.63 43.26 -17.60 3 0 14.02-999 ?-999 ?-999 ? O3 UNL A 501 mASN.A 16 -24.76 41.26 -18.37 -23.96 41.38 -18.95 -24.73 38.79 -18.02 -25.29 37.85 -17.44 -25.54 40.06 -18.39 -26.10 40.10 -19.83 2 0 13.52-999 ?-999 ?-999 ? O3 UNL A 501 mGLN.A 17 -23.45 38.76 -18.38 -23.16 39.58 -18.87 -22.32 37.31 -16.62 -22.23 38.22 -15.78 -22.56 37.62 -18.09 -21.18 37.85 -18.74 2 0 10.65-999 ?-999 ?-999 ? O3 UNL A 501 mHIS.A 18 -22.18 36.01 -16.35 -22.32 35.42 -17.15 -20.38 35.20 -14.97 -19.74 34.99 -15.99 -21.88 35.49 -15.04 -22.65 34.19 -14.77 3 0 7.66-999 ?-999 ?-999 ? O3 UNL A 501 mTRP.A 19 -19.86 35.20 -13.74 -20.52 35.45 -13.03 -17.43 35.67 -14.25 -16.37 35.14 -14.60 -18.47 34.86 -13.44 -18.23 33.36 -13.67 3 0 -4.24-999 ?-999 ?-999 ? O3 UNL A 501s mSER.A 20 -17.76 36.93 -14.54 -18.63 37.21 -14.14 -16.87 39.15 -14.62 -17.65 40.06 -14.92 -16.94 37.81 -15.35 -17.56 37.94 -16.74 2 0 6.02-999 ?-999 ?-999 ? O2 UNL A 501 mPRO.A 21 -15.95 39.26 -13.64 -15.37 38.45 -13.50 -15.56 41.71 -13.70 -14.78 41.63 -14.65 -15.83 40.47 -12.85 -14.64 40.17 -11.92 3 0 5.83-999 ?-999 ?-999 ? O2 UNL A 501 mARG^A 22 -16.26 42.79 -13.37 -16.90 42.64 -12.62 -15.60 45.08 -13.02 -16.28 45.38 -12.04 -16.12 44.08 -14.03 -17.46 44.52 -14.60 2 0 9.61-999 ?-999 ?-999 ? O2 UNL A 501 mVAL^A 23 -14.40 45.61 -13.30 -13.99 45.27 -14.14 -14.56 47.88 -12.54 -14.77 48.39 -13.64 -13.76 46.59 -12.44 -12.27 46.79 -12.85 3 0 11.54-999 ?-999 ?-999 ? O2 UNL A 501 mILE^A 24 -15.09 48.34 -11.40 -14.91 47.73 -10.63 -15.07 50.70 -10.58 -15.47 51.85 -10.65 -15.85 49.60 -11.29 -17.24 49.44 -10.57 3 0 14.35-999 ?-999 ?-999 ? O2 UNL A 501 mALA^A 25 -13.99 50.36 -9.86 -13.75 49.39 -9.88 -11.88 50.84 -8.66 -11.68 49.63 -8.55 -13.24 51.37 -9.11 -14.04 51.81 -7.90 2 0 16.18-999 ?-999 ?-999 ? O2 UNL A 501 mGLU^A 26 -10.97 51.78 -8.41 -11.31 52.70 -8.58 -9.28 52.36 -6.72 -9.51 53.57 -6.73 -9.62 51.50 -7.94 -8.59 51.74 -9.05 2 0 17.13-999 ?-999 ?-999 ? O1 UNL A 501 mMETA 27 -8.76 51.72 -5.68 -8.70 50.73 -5.83 -6.84 51.94 -4.32 -6.56 50.75 -4.10 -8.30 52.35 -4.44 -9.10 51.81 -3.25 2 0 18.59-999 ?-999 ?-999 ? O8 UNL A 501 mASN^A 28 -5.92 52.89 -4.48 -6.29 53.81 -4.63 -4.24 51.46 -5.44 -4.64 51.60 -6.59 -4.49 52.60 -4.43 -4.03 52.29 -2.99 2 0 19.92-999 ?-999 ?-999 ? O8 UNL A 501 mASP^A 29 -3.71 50.31 -5.00 -3.53 50.32 -4.01 -4.44 48.01 -5.76 -4.11 46.85 -6.04 -3.40 49.16 -5.87 -1.97 48.68 -5.61 2 0 17.14-999 ?-999 ?-999 ? O8 UNL A 501 mTYR^A 30 -5.67 48.36 -5.35 -5.75 49.33 -5.16 -7.90 47.78 -6.18 -8.03 48.94 -6.57 -6.79 47.43 -5.20 -7.35 47.47 -3.78 3 0 14.21-999 ?-999 ?-999 ? O8 UNL A 501 mGLN^A 31 -8.68 46.77 -6.55 -8.42 45.89 -6.13 -11.10 46.46 -6.80 -11.09 45.55 -6.00 -9.80 46.90 -7.46 -9.56 46.06 -8.71 2 0 12.72-999 ?-999 ?-999 ? O8 UNL A 501 mPHE^A 32 -12.19 47.15 -7.13 -11.97 47.93 -7.72 -14.19 46.29 -7.98 -14.20 46.99 -9.01 -13.57 46.83 -6.71 -14.32 48.07 -6.26 3 0 12.12-999 ?-999 ?-999 ? O2 UNL A 501 mLYS^A 33 -14.71 45.06 -7.92 -14.72 44.67 -7.00 -16.61 43.80 -8.85 -16.82 43.11 -7.89 -15.21 44.34 -9.09 -14.24 43.18 -9.38 2 0 9.11-999 ?-999 ?-999 ? O2 UNL A 501 mLEU^A 34 -17.57 44.16 -9.70 -17.27 44.81 -10.40 -19.03 42.35 -10.39 -18.45 42.24 -11.47 -18.93 43.63 -9.59 -19.97 44.64 -10.05 3 0 8.82-999 ?-999 ?-999 ? O3 UNL A 501 mVAL^A 35 -19.75 41.36 -9.85 -20.12 41.58 -8.95 -21.39 39.57 -10.30 -21.99 39.79 -9.23 -19.96 40.08 -10.52 -18.99 38.96 -10.01 3 0 6.15-999 ?-999 ?-999 ? O3 UNL A 501 mLYS^A 36 -21.94 38.93 -11.32 -21.39 38.97 -12.15 -22.80 36.77 -11.20 -21.99 36.38 -12.04 -23.22 38.22 -11.22 -24.14 38.56 -12.40 2 0 7.72-999 ?-999 ?-999 ? O3 UNL A 501 mVAL^A 37 -23.26 35.99 -10.22 -23.88 36.46 -9.59 -24.10 33.66 -9.88 -25.09 34.06 -9.25 -22.89 34.57 -10.10 -21.86 34.34 -8.95 3 0 6.52-999 ?-999 ?-999 ? O4 UNL A 501 mGLU^A 38 -24.03 32.45 -10.44 -23.19 32.31 -10.96 -24.48 30.06 -10.63 -23.72 29.93 -11.58 -25.08 31.43 -10.31 -26.28 31.72 -11.22 2 0 9.33-999 ?-999 ?-999 ? O4 UNL A 501 mGLY^A 39 -24.86 29.05 -9.84 -25.56 29.30 -9.17 -23.01 27.67 -9.15 -22.74 28.58 -8.34 -24.29 27.72 -9.96-999.99-999.99-999.99 1 0 10.58-999 ?-999 ?-999 ? O4 UNL A 501 mGLU^A 40 -22.22 26.63 -9.37 -22.57 26.00 -10.07 -19.78 26.94 -9.45 -19.74 26.80 -10.68 -20.96 26.42 -8.66 -20.71 24.94 -8.39 2 0 9.46-999 ?-999 ?-999 ? O4 UNL A 501 mPHE^A 41 -18.82 27.50 -8.71 -19.07 27.62 -7.75 -16.64 26.63 -9.06 -17.17 25.51 -8.92 -17.53 27.90 -9.26 -17.01 29.16 -8.52 3 0 7.01-999 ?-999 ?-999 ? O4 UNL A 501 mVAL^A 42 -15.32 26.80 -9.06 -15.06 27.75 -9.23 -13.57 26.03 -7.57 -13.53 27.18 -7.12 -14.35 25.74 -8.85 -13.34 25.66 -10.03 3 0 8.52-999 ?-999 ?-999 ? O9 UNL A 501 mTRP^A 43 -12.96 24.98 -7.01 -13.17 24.11 -7.46 -10.80 25.86 -6.26 -10.17 25.49 -7.25 -12.07 25.11 -5.85 -11.66 23.75 -5.29 3 0 8.51-999 ?-999 ?-999 ? NI NI A 500 mHIS^A 44 -10.44 26.89 -5.51 -11.06 27.08 -4.74 -8.78 28.45 -4.54 -9.46 28.44 -3.53 -9.22 27.67 -5.79 -9.50 28.63 -6.94 3 0 6.44-999 ?-999 ?-999 ? NI NI A 500s mGLU^A 45 -7.64 29.13 -4.63 -7.18 29.01 -5.51 -6.42 31.20 -4.12 -6.14 31.25 -5.31 -7.12 29.96 -3.54 -6.09 29.18 -2.70 2 0 5.90-999 ?-999 ?-999 ? NI NI A 500 mHIS^A 46 -6.11 32.15 -3.23 -6.51 31.97 -2.33 -4.18 33.22 -2.50 -4.38 33.56 -1.33 -5.29 33.32 -3.53 -6.09 34.61 -3.43 3 0 6.49-999 ?-999 ?-999 ? NI NI A 500s mALA^A 47 -3.04 32.71 -2.92 -3.02 32.50 -3.90 -1.35 33.71 -1.34 -0.92 33.62 -0.19 -1.91 32.47 -2.03 -0.78 31.74 -2.77 2 0 10.18-999 ?-999 ?-999 ? NI NI A 500 mASP^A 48 -1.39 34.85 -2.02 -1.90 34.80 -2.88 -1.64 37.21 -1.06 -1.13 38.26 -0.72 -0.73 36.07 -1.52 0.25 36.57 -2.60 2 0 11.67-999 ?-999 ?-999 ? NI NI A 500 mTHR^A 49 -2.95 37.01 -1.03 -3.25 36.10 -1.32 -5.17 37.59 0.01 -5.68 36.54 -0.40 -3.86 38.08 -0.59 -4.22 39.07 -1.76 2 0 9.94-999 ?-999 ?-999 ? NI NI A 500 mASP^A 50 -5.68 38.38 0.97 -5.07 39.09 1.30 -7.95 38.65 0.36 -7.54 39.47 -0.49 -7.03 38.19 1.49 -7.33 39.06 2.72 2 0 9.05-999 ?-999 ?-999 ? NI NI A 500 mGLU^A 51 -9.15 38.10 0.31 -9.29 37.40 1.02 -11.49 38.74 0.07 -11.96 37.91 0.84 -10.17 38.47 -0.68 -10.35 37.34 -1.69 2 0 6.56-999 ?-999 ?-999 ? NI NI A 500s mVAL^A 52 -12.08 39.92 -0.17 -11.57 40.50 -0.79 -14.52 40.03 -0.52 -14.41 40.36 -1.71 -13.35 40.29 0.45 -13.34 41.77 0.88 3 0 8.68-999 ?-999 ?-999 ? NI NI A 500 mPHE^A 53 -15.60 39.43 0.00 -15.45 39.13 0.94 -17.94 40.03 -0.02 -18.04 39.96 1.20 -16.86 39.22 -0.72 -17.32 37.77 -0.68 3 0 -8.37-999 ?-999 ?-999 ? O9 UNL A 501s mILE^A 54 -18.72 40.80 -0.79 -18.44 40.81 -1.75 -21.06 41.16 -1.17 -21.00 41.33 -2.38 -19.88 41.56 -0.29 -19.67 43.08 -0.37 3 0 11.12-999 ?-999 ?-999 ? O5 UNL A 501 mVAL^A 55 -22.11 40.62 -0.57 -22.01 40.52 0.42 -24.23 41.44 -1.40 -24.49 42.09 -0.38 -23.31 40.22 -1.33 -23.99 38.98 -0.70 3 0 11.29-999 ?-999 ?-999 ? O4 UNL A 501 mMETA 56 -24.68 41.74 -2.62 -24.36 41.10 -3.32 -27.00 42.42 -2.96 -27.86 43.07 -2.39 -25.54 42.90 -2.93 -25.20 43.50 -4.31 2 0 13.34-999 ?-999 ?-999 ? O4 UNL A 501 mGLU^A 57 -27.24 41.31 -3.65 -26.42 40.93 -4.08 -28.43 39.16 -3.83 -27.45 38.64 -4.38 -28.57 40.68 -3.78 -29.25 41.20 -5.06 2 0 14.20-999 ?-999 ?-999 ? O4 UNL A 501 mGLY^A 58 -29.41 38.46 -3.26 -30.12 39.02 -2.85 -28.65 36.37 -2.10 -28.31 37.03 -1.12 -29.42 36.99 -3.25-999.99-999.99-999.99 1 0 14.09-999 ?-999 ?-999 ? O4 UNL A 501 mTHR^A 59 -28.38 35.07 -2.23 -28.71 34.69 -3.10 -26.48 33.61 -1.82 -26.60 32.89 -2.80 -27.69 34.28 -1.21 -28.63 33.21 -0.63 2 0 13.35-999 ?-999 ?-999 ? O4 UNL A 501 mLEU^A 60 -25.31 33.86 -1.23 -25.36 34.51 -0.47 -23.64 32.26 -0.60 -23.81 32.52 0.60 -24.06 33.24 -1.67 -22.96 34.29 -1.85 3 0 10.31-999 ?-999 ?-999 ? O4 UNL A 501 mGLN^A 61 -23.13 31.12 -1.04 -23.25 30.98 -2.02 -21.01 30.06 -0.65 -20.75 30.21 -1.84 -22.46 30.17 -0.17 -23.11 28.81 -0.23 2 0 11.06-999 ?-999 ?-999 ? O5 UNL A 501 mILE^A 62 -20.09 29.86 0.29 -20.46 29.86 1.22 -18.31 28.39 0.75 -18.44 28.35 1.99 -18.68 29.64 -0.02 -17.76 30.83 0.39 3 0 8.95-999 ?-999 ?-999 ? O9 UNL A 501 mALA^A 63 -17.90 27.36 0.02 -17.88 27.52 -0.97 -16.01 26.15 0.90 -15.23 26.68 0.09 -17.50 26.11 0.61 -17.84 24.94 -0.32 2 0 10.85-999 ?-999 ?-999 ? NI NI A 500 mPHE^A 64 -15.65 25.65 2.08 -16.42 25.41 2.66 -14.14 23.96 2.72 -15.13 23.23 2.63 -14.26 25.45 2.48 -13.90 26.26 3.73 3 0 11.15-999 ?-999 ?-999 ? NI NI A 500 mARG^A 65 -12.93 23.50 3.01 -12.22 24.20 3.10 -13.41 21.43 4.36 -13.87 20.30 4.22 -12.72 22.07 3.18 -11.22 21.71 3.15 2 0 13.98-999 ?-999 ?-999 ? NI NI A 500 mASP^A 66 -13.51 22.14 5.49 -13.11 23.05 5.42 -15.43 22.28 7.14 -16.07 21.85 8.11 -14.14 21.59 6.71 -13.13 21.60 7.86 2 0 16.72-999 ?-999 ?-999 ? NI NI A 500 mGLN^A 67 -15.85 23.31 6.41 -15.28 23.48 5.60 -17.48 24.95 5.57 -16.80 25.05 4.55 -17.02 24.10 6.75 -16.70 24.99 7.97 2 0 15.80-999 ?-999 ?-999 ? NI NI A 500 mASN^A 68 -18.68 25.52 5.70 -19.15 25.24 6.54 -19.66 27.72 5.45 -19.86 27.71 6.67 -19.24 26.47 4.73 -20.52 25.94 4.09 2 0 14.04-999 ?-999 ?-999 ? NI NI A 500 mILE^A 69 -19.81 28.80 4.69 -19.49 28.69 3.75 -21.50 30.42 4.22 -21.43 30.06 3.05 -20.39 30.04 5.20 -19.34 31.18 5.43 3 0 13.67-999 ?-999 ?-999 ? NI NI A 500 mTHR^A 70 -22.51 31.11 4.74 -22.41 31.27 5.72 -23.71 33.09 4.14 -23.63 33.58 5.27 -23.66 31.58 3.96 -24.95 30.94 4.45 2 0 14.46-999 ?-999 ?-999 ? O9 UNL A 501 mLEU^A 71 -23.81 33.81 3.02 -23.85 33.25 2.19 -25.14 35.73 2.30 -25.37 35.37 1.14 -23.86 35.27 2.99 -22.66 35.85 2.22 3 0 13.54-999 ?-999 ?-999 ? O5 UNL A 501 mGLN^A 72 -25.96 36.50 3.02 -25.66 36.62 3.97 -26.83 38.50 1.99 -25.73 39.01 2.24 -27.17 37.10 2.49 -28.24 37.21 3.58 2 0 15.49-999 ?-999 ?-999 ? O4 UNL A 501 mALA^A 73 -27.78 39.13 1.31 -28.59 38.57 1.15 -27.34 41.41 2.05 -27.94 41.23 3.10 -27.64 40.51 0.85 -28.89 40.99 0.13 2 0 15.62-999 ?-999 ?-999 ? O4 UNL A 501 mGLY^A 74 -26.38 42.31 1.90 -25.99 42.34 0.98 -25.06 42.49 4.02 -25.11 42.85 5.21 -25.94 43.18 2.99-999.99-999.99-999.99 1 0 17.08-999 ?-999 ?-999 ? O4 UNL A 501 mGLU^A 75 -24.29 41.48 3.59 -24.43 41.25 2.63 -22.00 40.62 3.72 -21.98 40.55 2.48 -23.34 40.78 4.46 -23.84 39.41 4.92 2 0 15.74-999 ?-999 ?-999 ? O5 UNL A 501 mMETA 76 -20.90 40.61 4.48 -21.09 40.73 5.46 -18.73 39.40 4.71 -19.07 39.00 5.83 -19.56 40.44 3.94 -18.79 41.77 3.86 2 0 13.48-999 ?-999 ?-999 ? O9 UNL A 501 mTYR^A 77 -17.63 39.02 4.09 -17.51 39.44 3.19 -15.31 38.25 4.01 -15.24 38.52 2.82 -16.68 38.08 4.66 -17.18 36.64 4.47 3 0 11.58-999 ?-999 ?-999 ? NI NI A 500 mVAL^A 78 -14.25 38.09 4.81 -14.49 37.91 5.76 -12.30 36.76 4.32 -12.17 36.12 5.38 -12.87 38.18 4.34 -11.98 39.07 5.26 3 0 10.27-999 ?-999 ?-999 ? NI NI A 500 mILE^A 79 -11.99 36.26 3.13 -12.25 36.86 2.37 -9.83 35.20 3.17 -9.23 35.94 2.37 -11.32 34.96 2.95 -11.53 34.40 1.53 3 0 7.83-999 ?-999 ?-999 ? NI NI A 500 mPRO^A 80 -9.23 34.60 4.23 -9.80 34.04 4.83 -6.94 34.25 3.28 -7.34 33.29 2.60 -7.80 34.82 4.41 -7.49 34.10 5.73 3 0 10.01-999 ?-999 ?-999 ? NI NI A 500 mLYS^A 81 -5.76 34.84 3.10 -5.57 35.61 3.71 -4.50 32.91 2.27 -4.41 32.41 3.42 -4.83 34.38 2.08 -3.53 35.22 2.03 2 0 9.69-999 ?-999 ?-999 ? NI NI A 500 mGLY^A 82 -4.36 32.21 1.15 -4.52 32.75 0.32 -5.11 29.82 1.47 -4.86 28.62 1.44 -4.01 30.80 1.13-999.99-999.99-999.99 1 0 10.02-999 ?-999 ?-999 ? NI NI A 500 mVAL^A 83 -6.32 30.30 1.78 -6.39 31.29 1.75 -8.19 28.99 0.87 -8.75 29.83 0.16 -7.43 29.42 2.14 -8.38 30.09 3.16 3 0 9.06-999 ?-999 ?-999 ? NI NI A 500 mGLU^A 84 -8.23 27.68 0.64 -7.74 27.14 1.32 -10.41 27.25 -0.31 -10.91 27.08 0.81 -8.91 27.09 -0.50 -8.56 25.60 -0.63 2 0 8.19-999 ?-999 ?-999 ? NI NI A 500 mHIS^A 85 -11.12 27.59 -1.39 -10.58 27.68 -2.23 -13.28 27.68 -2.67 -12.65 27.76 -3.71 -12.57 27.79 -1.32 -12.88 29.16 -0.69 3 0 -6.75-999 ?-999 ?-999 ? NI NI A 500s mLYS^A 86 -14.61 27.49 -2.61 -14.96 27.46 -1.68 -16.80 28.09 -3.60 -17.69 27.58 -2.91 -15.47 27.35 -3.80 -15.74 25.86 -4.08 2 0 7.04-999 ?-999 ?-999 ? O9 UNL A 501 mPRO^A 87 -16.91 29.33 -4.16 -16.08 29.70 -4.57 -19.30 29.31 -4.93 -19.00 28.62 -5.93 -18.19 30.04 -4.13 -17.87 31.40 -4.74 3 0 6.25-999 ?-999 ?-999 ? O5 UNL A 501 mMETA 88 -20.54 29.43 -4.44 -20.58 30.02 -3.64 -22.98 29.63 -4.78 -23.15 30.20 -3.69 -21.73 28.77 -5.01 -22.00 27.42 -4.33 2 0 8.71-999 ?-999 ?-999 ? O4 UNL A 501 mALA^A 89 -23.85 29.71 -5.78 -23.55 29.23 -6.61 -26.25 29.56 -6.29 -26.24 29.29 -7.50 -25.14 30.43 -5.68 -25.05 31.77 -6.39 2 0 10.05-999 ?-999 ?-999 ? O4 UNL A 501 mLYS^A 90 -27.20 29.10 -5.46 -27.06 29.34 -4.50 -29.19 29.13 -6.94 -29.71 28.58 -7.92 -28.35 28.31 -5.96 -29.23 27.76 -4.82 2 0 13.71-999 ?-999 ?-999 ? O4 UNL A 501 mGLU^A 91 -29.30 30.43 -6.66 -28.84 30.69 -5.81 -29.05 32.51 -7.89 -27.94 32.60 -7.37 -30.02 31.39 -7.48 -31.17 32.01 -6.67 2 0 13.92-999 ?-999 ?-999 ? O4 UNL A 501 mGLU^A 92 -29.49 33.33 -8.85 -30.36 33.02 -9.24 -28.34 35.37 -8.10 -29.14 35.65 -7.20 -28.78 34.55 -9.31 -29.70 35.42 -10.21 2 0 12.25-999 ?-999 ?-999 ? O4 UNL A 501 mCYH^A 93 -27.06 35.71 -8.05 -26.52 35.41 -8.84 -25.63 37.60 -7.46 -24.81 37.39 -8.35 -26.51 36.46 -6.94 -25.71 35.51 -6.08 2 0 10.21-999 ?-999 ?-999 ? O4 UNL A 501 mLYS^A 94 -25.81 38.80 -6.90 -26.52 38.81 -6.19 -24.08 40.26 -6.16 -24.50 40.48 -5.02 -25.05 40.00 -7.28 -25.98 41.21 -7.45 2 0 10.04-999 ?-999 ?-999 ? O4 UNL A 501 mILE^A 95 -22.79 40.25 -6.49 -22.61 40.09 -7.46 -20.70 41.47 -5.94 -20.67 41.90 -7.10 -21.73 40.44 -5.51 -21.00 39.10 -5.18 3 0 8.24-999 ?-999 ?-999 ? O4 UNL A 501 mMETA 96 -19.89 41.88 -4.98 -20.12 41.52 -4.07 -17.57 42.10 -4.55 -17.67 41.64 -3.40 -18.77 42.76 -5.20 -19.00 44.16 -4.64 2 0 8.92-999 ?-999 ?-999 ? O4 UNL A 501 mILE^A 97 -16.46 42.02 -5.30 -16.60 42.38 -6.22 -14.16 42.65 -4.74 -14.14 43.53 -5.60 -15.17 41.49 -4.84 -14.66 40.37 -5.78 3 0 7.59-999 ?-999 ?-999 ? O5 UNL A 501 mILE^A 98 -13.38 42.67 -3.67 -13.56 41.91 -3.04 -11.06 42.89 -3.17 -11.04 41.99 -2.32 -12.35 43.68 -3.42 -12.66 44.60 -2.22 3 0 10.16-999 ?-999 ?-999 ? O8 UNL A 501 mGLU^A 99 -10.03 43.20 -3.94 -10.23 43.94 -4.59 -7.66 43.35 -4.62 -8.03 44.26 -5.38 -8.73 42.54 -3.86 -8.81 41.11 -4.42 2 0 9.48-999 ?-999 ?-999 ? O8 UNL A 501 mPRO^A 100 -6.36 43.05 -4.38 -6.17 42.36 -3.69 -5.40 43.50 -6.62 -5.89 42.46 -7.06 -5.31 43.73 -5.12 -4.01 43.10 -4.59 3 0 11.69-999 ?-999 ?-999 ? O8 UNL A 501 mARG^A 101 -4.95 44.50 -7.37 -4.71 45.32 -6.86 -3.59 43.50 -9.03 -3.59 42.67 -9.93 -4.81 44.38 -8.81 -4.60 45.76 -9.45 2 0 12.36-999 ?-999 ?-999 ? O8 UNL A 501 mMETB 1 9.55 42.13 -13.17 9.77 42.19 -14.14 10.49 41.57 -10.91 10.85 42.19 -9.91 9.23 42.03 -11.71 8.00 41.08 -11.49 2 0 18.48-999 ?-999 ?-999 ? NI NI C 500 mGLN^B 2 11.14 40.51 -11.41 10.73 40.18 -12.26 13.21 39.36 -11.94 12.86 38.40 -12.64 12.32 39.88 -10.80 11.90 38.73 -9.88 2 0 18.54-999 ?-999 ?-999 ? NI NI C 500 mTHR^B 3 14.38 39.99 -12.11 14.53 40.70 -11.42 16.04 38.33 -13.10 17.15 38.26 -12.54 15.33 39.70 -13.19 16.43 40.83 -13.25 2 0 15.78-999 ?-999 ?-999 ? NI NI C 500 mLYS^B 4 15.43 37.26 -13.63 14.55 37.46 -14.07 15.52 34.92 -14.60 14.51 35.15 -15.26 16.06 35.92 -13.56 15.92 35.38 -12.09 2 0 16.42-999 ?-999 ?-999 ? NI NI C 500 mVAL^B 5 16.27 33.83 -14.80 17.13 33.84 -14.28 14.68 32.01 -15.05 14.76 31.59 -13.92 15.87 32.72 -15.68 17.04 31.70 -15.94 3 0 16.02-999 ?-999 ?-999 ? O8 UNL C 501 mILE^B 6 13.59 31.89 -15.79 13.70 32.28 -16.71 12.19 29.90 -15.98 12.02 29.82 -17.20 12.35 31.26 -15.32 11.13 32.12 -15.67 3 0 17.64-999 ?-999 ?-999 ? O8 UNL C 501 mASN^B 7 12.19 28.84 -15.17 12.31 29.09 -14.21 10.56 27.10 -15.31 10.17 27.12 -14.16 12.02 27.46 -15.63 13.04 26.56 -14.96 2 0 19.68-999 ?-999 ?-999 ? O8 UNL C 501 mPHE^B 8 9.79 26.79 -16.35 10.27 26.76 -17.22 8.06 25.34 -15.29 7.24 25.47 -14.37 8.35 26.52 -16.20 7.66 26.31 -17.57 3 0 16.35-999 ?-999 ?-999 ? O4 UNL B 501 mASN^B 9 8.75 24.23 -15.49 9.39 24.28 -16.26 8.86 23.30 -13.15 8.09 22.86 -12.29 8.56 23.04 -14.63 9.35 21.82 -15.13 2 0 17.43-999 ?-999 ?-999 ? O4 UNL B 501 mASP^B 10 9.93 24.04 -12.87 10.47 24.30 -13.68 9.15 25.25 -10.87 8.76 25.00 -9.73 10.26 24.41 -11.49 11.57 25.21 -11.42 2 0 18.91-999 ?-999 ?-999 ? O3 UNL B 501 mLYS^B 11 8.63 26.22 -11.62 9.04 26.30 -12.53 6.24 26.31 -10.90 5.59 26.48 -9.87 7.55 27.08 -11.12 7.36 28.33 -12.02 2 0 15.75-999 ?-999 ?-999 ? O3 UNL B 501 mPHE^B 12 5.88 25.44 -11.84 6.46 25.46 -12.65 4.80 23.70 -10.41 3.81 23.52 -9.71 4.71 24.55 -11.67 4.53 23.59 -12.86 3 0 13.67-999 ?-999 ?-999 ? O3 UNL B 501 mSER^B 13 6.01 23.24 -10.10 6.74 23.53 -10.72 5.89 23.06 -7.60 5.59 22.38 -6.63 6.22 22.38 -8.94 7.66 21.85 -8.92 2 0 16.56-999 ?-999 ?-999 ? O3 UNL B 501 mLEU^B 14 5.96 24.39 -7.56 6.18 24.80 -8.44 4.28 25.28 -5.89 4.05 25.77 -4.78 5.74 25.16 -6.34 6.38 26.56 -6.51 3 0 16.15-999 ?-999 ?-999 ? O3 UNL B 501 mPHE^B 15 3.31 24.85 -6.71 3.64 24.54 -7.60 1.14 23.66 -6.85 1.38 23.22 -7.99 1.90 24.86 -6.30 1.20 26.17 -6.73 3 0 13.27-999 ?-999 ?-999 ? O3 UNL B 501 mASN^B 16 0.22 23.13 -6.04 0.20 23.56 -5.13 -2.12 22.44 -6.58 -2.88 21.73 -7.26 -0.66 22.04 -6.42 -0.54 20.90 -5.42 2 0 12.94-999 ?-999 ?-999 ? O3 UNL B 501 mGLN^B 17 -2.51 23.58 -6.00 -1.79 24.08 -5.53 -4.29 24.33 -7.51 -3.49 24.89 -8.26 -3.90 24.02 -6.07 -4.15 25.23 -5.16 2 0 10.54-999 ?-999 ?-999 ? O3 UNL B 501 mHIS^B 18 -5.49 23.90 -7.88 -5.99 23.41 -7.17 -6.73 25.48 -9.35 -7.12 26.10 -8.35 -6.03 24.13 -9.21 -6.98 23.01 -9.64 3 0 7.61-999 ?-999 ?-999 ? O3 UNL B 501 mTRP^B 19 -6.86 25.92 -10.61 -6.42 25.31 -11.27 -7.15 28.39 -10.21 -7.97 29.27 -9.94 -7.57 27.15 -10.99 -9.08 26.94 -10.79 3 0 -4.02-999 ?-999 ?-999 ? O3 UNL B 501s mSER^B 20 -5.87 28.42 -9.83 -5.33 27.65 -10.18 -4.01 29.92 -9.70 -2.94 29.37 -9.45 -5.29 29.45 -8.99 -4.99 28.87 -7.61 2 0 5.59-999 ?-999 ?-999 ? O3 UNL B 501 mPRO^B 21 -4.13 30.89 -10.65 -5.04 31.27 -10.78 -1.84 31.93 -10.56 -2.13 32.65 -9.59 -2.95 31.32 -11.40 -3.51 32.36 -12.36 3 0 5.64-999 ?-999 ?-999 ? O3 UNL B 501 mARG^B 22 -0.60 31.63 -10.92 -0.54 30.97 -11.67 1.36 33.03 -11.27 1.77 32.51 -12.32 0.57 32.21 -10.27 1.42 31.13 -9.62 2 0 9.39-999 ?-999 ?-999 ? O3 UNL B 501 mVAL^B 23 1.59 34.30 -10.94 1.19 34.57 -10.07 3.84 34.80 -11.75 4.42 34.75 -10.67 2.36 35.20 -11.81 2.20 36.69 -11.39 3 0 11.58-999 ?-999 ?-999 ? O2 UNL B 501 mILE^B 24 4.42 34.47 -12.91 3.80 34.49 -13.69 6.74 35.17 -13.65 7.96 35.09 -13.56 5.86 34.10 -12.98 6.10 32.72 -13.68 3 0 14.26-999 ?-999 ?-999 ? O3 UNL B 501 mALA^B 25 6.12 36.11 -14.38 5.13 36.04 -14.38 5.97 38.30 -15.51 4.73 38.14 -15.63 6.87 37.14 -15.10 7.52 36.56 -16.36 2 0 16.34-999 ?-999 ?-999 ? O2 UNL B 501 mGLU^B 26 6.61 39.44 -15.73 7.59 39.40 -15.52 6.72 41.19 -17.43 7.95 41.23 -17.43 5.96 40.64 -16.24 5.83 41.68 -15.14 2 0 16.34-999 ?-999 ?-999 ? NI NI C 500 mMETB 27 5.96 41.57 -18.46 4.99 41.38 -18.32 5.63 43.46 -19.85 4.43 43.35 -20.11 6.46 42.19 -19.69 6.21 41.24 -20.87 2 0 13.42-999 ?-999 ?-999 ? NI NI C 500 mASN^B 28 6.24 44.64 -19.68 7.22 44.56 -19.52 4.33 45.81 -18.72 4.55 45.42 -17.58 5.52 45.91 -19.73 5.09 46.25 -21.19 2 0 14.61-999 ?-999 ?-999 ? NI NI C 500 mASP^B 29 3.09 46.01 -19.17 3.05 46.23 -20.15 1.14 44.58 -18.44 -0.07 44.49 -18.16 1.90 45.92 -18.30 0.99 47.13 -18.55 2 0 17.49-999 ?-999 ?-999 ? O8 UNL B 501 mTYR^B 30 1.86 43.53 -18.85 2.82 43.75 -19.02 1.96 41.23 -18.04 3.09 41.47 -17.59 1.32 42.17 -19.03 1.55 41.66 -20.47 3 0 14.49-999 ?-999 ?-999 ? O8 UNL B 501 mGLN^B 31 1.20 40.18 -17.72 0.31 40.18 -18.17 1.53 37.77 -17.47 0.60 37.48 -18.21 1.60 39.13 -16.81 0.67 39.12 -15.59 2 0 12.92-999 ?-999 ?-999 ? O8 UNL B 501 mPHE^B 32 2.52 36.94 -17.16 3.23 37.39 -16.62 2.24 34.78 -16.31 2.87 34.99 -15.24 2.59 35.54 -17.57 4.00 35.16 -17.99 3 0 12.29-999 ?-999 ?-999 ? O2 UNL B 501 mLYS^B 33 1.23 33.91 -16.42 0.87 33.81 -17.35 0.65 31.70 -15.53 0.21 31.31 -16.60 0.73 33.19 -15.26 -0.67 33.69 -14.92 2 0 9.16-999 ?-999 ?-999 ? O3 UNL B 501 mLEU^B 34 1.09 30.88 -14.58 1.49 31.35 -13.79 -0.21 28.95 -13.89 -0.48 29.46 -12.79 1.00 29.43 -14.68 2.26 28.75 -14.15 3 0 8.72-999 ?-999 ?-999 ? O3 UNL B 501 mVAL^B 35 -0.94 27.98 -14.46 -0.60 27.70 -15.36 -2.15 25.88 -14.03 -1.66 25.38 -15.05 -2.12 27.40 -13.82 -3.45 27.98 -14.40 3 0 6.06-999 ?-999 ?-999 ? O3 UNL B 501 mLYS^B 36 -2.69 25.17 -13.03 -2.88 25.72 -12.22 -4.49 23.66 -13.04 -5.11 24.26 -12.16 -2.97 23.74 -13.10 -2.33 22.97 -11.95 2 0 7.50-999 ?-999 ?-999 ? O4 UNL B 501 mVAL^B 37 -5.09 22.95 -13.98 -4.47 22.49 -14.61 -7.02 21.43 -14.26 -6.34 20.62 -14.87 -6.55 22.87 -14.08 -7.05 23.76 -15.22 3 0 6.44-999 ?-999 ?-999 ? O4 UNL B 501 mGLU^B 38 -8.19 21.13 -13.70 -8.59 21.90 -13.20 -10.32 19.96 -13.62 -10.74 20.67 -12.73 -8.81 19.80 -13.82 -8.21 18.81 -12.81 2 0 9.45-999 ?-999 ?-999 ? O4 UNL B 501 mGLY^B 39 -11.11 19.29 -14.45 -10.61 18.70 -15.09 -12.98 20.61 -15.26 -12.19 21.13 -16.04 -12.56 19.41 -14.41-999.99-999.99-999.99 1 0 10.83-999 ?-999 ?-999 ? O4 UNL B 501 mGLU^B 40 -14.23 21.03 -15.09 -14.73 20.51 -14.40 -14.74 23.43 -15.08 -14.95 23.44 -13.86 -14.80 22.14 -15.85 -16.28 21.89 -16.15 2 0 9.87-999 ?-999 ?-999 ? O5 UNL B 501 mPHE^B 41 -14.49 24.52 -15.81 -14.28 24.32 -16.77 -15.97 26.34 -15.51 -16.88 25.51 -15.67 -14.52 25.87 -15.27 -13.47 26.73 -15.98 3 0 7.11-999 ?-999 ?-999 ? O9 UNL B 501 mVAL^B 42 -16.20 27.65 -15.48 -15.39 28.18 -15.24 -17.39 29.06 -17.08 -16.29 29.42 -17.54 -17.48 28.26 -15.77 -17.94 29.19 -14.60 3 0 7.97-999 ?-999 ?-999 ? O9 UNL B 501 mTRP^B 43 -18.56 29.27 -17.69 -19.34 28.82 -17.26 -18.42 31.54 -18.45 -19.02 32.00 -17.47 -18.66 30.10 -18.89 -20.04 30.03 -19.54 3 0 8.39-999 ?-999 ?-999 ? O9 UNL B 501 mHIS^B 44 -17.57 32.24 -19.17 -17.18 31.73 -19.94 -16.53 34.27 -20.04 -16.19 33.59 -21.02 -17.23 33.62 -18.85 -16.29 33.65 -17.63 3 0 6.61-999 ?-999 ?-999 ? NI NI B 500s mGLU^B 45 -16.28 35.57 -19.92 -16.60 35.95 -19.06 -14.66 37.38 -20.34 -14.73 37.65 -19.13 -15.60 36.36 -20.95 -16.62 37.14 -21.78 2 0 6.05-999 ?-999 ?-999 ? NI NI B 500 mHIS^B 46 -13.80 37.94 -21.19 -13.81 37.51 -22.09 -13.34 40.13 -21.86 -12.90 40.11 -23.02 -12.93 39.07 -20.86 -11.47 38.67 -20.96 3 0 6.51-999 ?-999 ?-999 ? NI NI B 500s mALA^B 47 -14.22 41.03 -21.42 -14.47 40.92 -20.46 -13.74 43.04 -22.91 -13.95 43.49 -24.04 -14.77 42.08 -22.30 -15.86 42.87 -21.58 2 0 10.23-999 ?-999 ?-999 ? NI NI B 500 mASP^B 48 -12.64 43.31 -22.21 -12.56 42.78 -21.36 -10.30 43.81 -23.16 -9.47 44.62 -23.55 -11.65 44.32 -22.66 -11.45 45.37 -21.56 2 0 11.67-999 ?-999 ?-999 ? NI NI B 500 mTHR^B 49 -10.08 42.50 -23.22 -10.84 41.92 -22.92 -8.82 40.63 -24.33 -9.66 39.78 -23.97 -8.79 42.00 -23.68 -7.78 41.94 -22.51 2 0 9.98-999 ?-999 ?-999 ? NI NI B 500 mASP^B 50 -7.92 40.44 -25.30 -7.47 41.27 -25.61 -6.94 38.35 -24.72 -6.29 38.96 -23.87 -7.63 39.11 -25.84 -6.66 39.16 -27.02 2 0 9.18-999 ?-999 ?-999 ? NI NI B 500 mGLU^B 51 -7.06 37.02 -24.73 -7.61 36.67 -25.49 -5.79 34.98 -24.40 -6.40 34.33 -25.22 -6.45 36.16 -23.71 -7.51 35.67 -22.71 2 0 6.65-999 ?-999 ?-999 ? NI NI B 500s mVAL^B 52 -4.54 34.68 -24.02 -4.19 35.26 -23.29 -3.69 32.42 -23.66 -3.45 32.62 -22.47 -3.78 33.59 -24.63 -2.34 34.07 -25.01 3 0 8.55-999 ?-999 ?-999 ? NI NI B 500 mPHE^B 53 -3.92 31.21 -24.19 -4.25 31.27 -25.13 -2.58 29.23 -24.21 -2.59 29.19 -25.43 -3.72 29.93 -23.48 -4.95 29.03 -23.55 3 0 -8.51-999 ?-999 ?-999 ? O9 UNL B 501s mILE^B 54 -1.58 28.76 -23.46 -1.64 29.04 -22.50 -0.54 26.67 -23.14 -0.42 26.78 -21.93 -0.51 27.92 -24.01 0.89 28.57 -23.98 3 0 11.14-999 ?-999 ?-999 ? O5 UNL B 501 mVAL^B 55 -0.74 25.49 -23.75 -0.90 25.55 -24.73 0.72 23.74 -22.92 1.39 23.59 -23.93 -0.74 24.23 -23.00 -1.68 23.19 -23.61 3 0 11.51-999 ?-999 ?-999 ? O5 UNL B 501 mMETB 56 1.17 23.51 -21.70 0.48 23.66 -20.99 2.55 21.55 -21.23 3.51 20.92 -21.67 2.53 23.08 -21.38 3.00 23.73 -20.08 2 0 13.41-999 ?-999 ?-999 ? O4 UNL B 501 mGLU^B 57 1.53 20.99 -20.58 0.86 21.65 -20.24 -0.07 19.14 -20.27 -0.87 19.86 -19.66 1.40 19.54 -20.38 2.16 19.10 -19.13 2 0 14.20-999 ?-999 ?-999 ? O4 UNL B 501 mGLY^B 58 -0.42 17.99 -20.87 0.34 17.53 -21.34 -2.61 17.96 -21.99 -2.08 18.40 -23.02 -1.77 17.46 -20.83-999.99-999.99-999.99 1 0 14.23-999 ?-999 ?-999 ? O4 UNL B 501 mTHR^B 59 -3.93 17.88 -21.81 -4.19 17.53 -20.91 -5.96 19.16 -22.23 -6.55 18.82 -21.21 -4.91 18.25 -22.83 -5.61 17.00 -23.38 2 0 13.53-999 ?-999 ?-999 ? O4 UNL B 501 mLEU^B 60 -6.19 20.30 -22.88 -5.60 20.44 -23.67 -8.28 21.33 -23.56 -7.97 21.27 -24.74 -7.20 21.26 -22.47 -6.56 22.65 -22.34 3 0 10.46-999 ?-999 ?-999 ? O5 UNL B 501 mGLN^B 61 -9.53 21.43 -23.13 -9.62 21.33 -22.14 -11.16 23.08 -23.72 -11.15 23.48 -22.56 -10.66 21.68 -24.02 -11.78 20.69 -23.77 2 0 10.84-999 ?-999 ?-999 ? O9 UNL B 501 mILE^B 62 -11.58 23.83 -24.74 -11.41 23.41 -25.64 -13.51 25.09 -25.34 -13.49 25.00 -26.58 -12.21 25.13 -24.55 -11.33 26.34 -24.96 3 0 8.73-999 ?-999 ?-999 ? O9 UNL B 501 mALA^B 63 -14.62 25.13 -24.61 -14.46 25.13 -23.62 -16.29 26.60 -25.54 -16.09 27.50 -24.72 -15.93 25.15 -25.20 -16.96 24.56 -24.23 2 0 10.61-999 ?-999 ?-999 ? O9 UNL B 501 mPHE^B 64 -16.76 26.82 -26.77 -16.68 26.01 -27.36 -18.77 27.76 -27.60 -19.15 26.58 -27.72 -17.32 28.09 -27.23 -16.58 28.67 -28.45 3 0 11.27-999 ?-999 ?-999 ? NI NI B 500 mARG^B 65 -19.58 28.79 -27.80 -19.14 29.69 -27.70 -21.26 28.11 -29.57 -22.34 27.57 -29.85 -20.99 28.57 -28.12 -21.83 29.75 -27.64 2 0 14.11-999 ?-999 ?-999 ? NI NI B 500 mASP^B 66 -20.26 28.27 -30.46 -19.47 28.73 -30.06 -19.40 26.64 -32.24 -19.55 26.06 -33.31 -20.33 27.82 -31.87 -20.13 29.01 -32.84 2 0 16.46-999 ?-999 ?-999 ? NI NI B 500 mGLN^B 67 -18.46 26.29 -31.36 -18.47 26.86 -30.53 -16.79 24.81 -30.28 -16.89 25.52 -29.28 -17.53 25.18 -31.58 -16.48 25.56 -32.64 2 0 15.89-999 ?-999 ?-999 ? NI NI B 500 mASN^B 68 -16.08 23.70 -30.32 -16.20 23.18 -31.17 -13.82 23.01 -29.82 -13.73 22.43 -30.90 -15.20 23.26 -29.22 -15.70 21.99 -28.52 2 0 14.23-999 ?-999 ?-999 ? O9 UNL B 501 mILE^B 69 -12.78 23.50 -29.16 -13.03 24.04 -28.36 -10.70 22.46 -28.45 -11.12 22.51 -27.30 -11.40 23.25 -29.57 -10.60 24.56 -29.91 3 0 13.71-999 ?-999 ?-999 ? O9 UNL B 501 mTHR^B 70 -9.66 21.74 -28.84 -9.50 21.77 -29.82 -7.38 21.42 -28.21 -6.96 21.49 -29.37 -8.82 20.96 -27.94 -9.01 19.44 -28.17 2 0 13.94-999 ?-999 ?-999 ? O9 UNL B 501 mLEU^B 71 -6.66 21.77 -27.14 -7.19 21.75 -26.28 -4.43 21.05 -26.49 -4.78 20.61 -25.40 -5.25 22.14 -27.19 -4.97 23.49 -26.52 3 0 13.49-999 ?-999 ?-999 ? O9 UNL B 501 mGLN^B 72 -3.34 20.64 -27.13 -3.23 21.07 -28.03 -1.14 20.42 -26.20 -1.03 21.62 -26.47 -2.40 19.66 -26.60 -2.03 18.63 -27.66 2 0 15.53-999 ?-999 ?-999 ? O5 UNL B 501 mALA^B 73 -0.20 19.71 -25.57 -0.46 18.76 -25.40 1.78 20.86 -26.42 1.69 20.27 -27.51 1.10 20.28 -25.18 2.00 19.22 -24.52 2 0 15.97-999 ?-999 ?-999 ? O4 UNL B 501 mGLY^B 74 2.40 22.02 -26.26 2.38 22.38 -25.33 2.07 23.34 -28.36 2.36 23.44 -29.56 3.05 22.71 -27.38-999.99-999.99-999.99 1 0 17.36-999 ?-999 ?-999 ? O5 UNL B 501 mGLU^B 75 0.90 23.75 -27.85 0.79 23.55 -26.88 -0.66 25.60 -27.88 -0.61 25.64 -26.64 -0.10 24.43 -28.64 -1.25 23.51 -29.04 2 0 15.73-999 ?-999 ?-999 ? O5 UNL B 501 mMETB 76 -1.19 26.55 -28.65 -1.15 26.35 -29.62 -2.98 28.25 -28.90 -3.22 27.83 -30.05 -1.77 27.77 -28.11 -0.73 28.91 -28.03 2 0 13.42-999 ?-999 ?-999 ? NI NI B 500 mTYR^B 77 -3.71 29.14 -28.26 -3.35 29.36 -27.35 -5.14 31.12 -28.19 -4.89 31.29 -26.99 -4.92 29.75 -28.83 -6.13 28.84 -28.57 3 0 11.37-999 ?-999 ?-999 ? NI NI B 500 mVAL^B 78 -5.57 32.07 -29.00 -5.66 31.77 -29.94 -7.41 33.53 -28.47 -8.09 33.37 -29.48 -5.89 33.43 -28.56 -5.37 34.48 -29.57 3 0 10.16-999 ?-999 ?-999 ? NI NI B 500 mILE^B 79 -7.94 33.74 -27.26 -7.26 33.77 -26.53 -9.64 35.41 -27.35 -9.13 36.24 -26.63 -9.39 33.92 -27.06 -9.85 33.65 -25.59 3 0 7.60-999 ?-999 ?-999 ? NI NI B 500 mPRO^B 80 -10.38 35.75 -28.43 -10.72 34.99 -29.00 -11.46 37.86 -27.58 -12.26 37.20 -26.91 -10.63 37.18 -28.68 -11.38 37.19 -30.02 3 0 9.94-999 ?-999 ?-999 ? NI NI B 500 mLYS^B 81 -11.26 39.17 -27.41 -10.61 39.59 -28.04 -13.47 39.80 -26.54 -13.99 39.92 -27.67 -11.97 39.91 -26.37 -11.52 41.37 -26.25 2 0 9.68-999 ?-999 ?-999 ? NI NI B 500 mGLY^B 82 -14.16 39.50 -25.44 -13.59 39.38 -24.63 -16.18 38.04 -25.91 -17.41 37.89 -25.91 -15.60 39.37 -25.44-999.99-999.99-999.99 1 0 9.87-999 ?-999 ?-999 ? NI NI B 500 mVAL^B 83 -15.34 37.10 -26.33 -14.37 37.36 -26.31 -15.98 34.90 -25.53 -14.99 34.60 -24.83 -15.82 35.78 -26.77 -14.89 35.13 -27.83 3 0 9.21-999 ?-999 ?-999 ? NI NI B 500 mGLU^B 84 -17.22 34.52 -25.25 -17.90 34.86 -25.90 -16.94 32.29 -24.30 -16.92 31.76 -25.41 -17.58 33.68 -24.10 -19.10 33.58 -23.95 2 0 8.24-999 ?-999 ?-999 ? NI NI B 500 mHIS^B 85 -16.40 31.73 -23.22 -16.50 32.27 -22.38 -15.65 29.73 -21.94 -15.80 30.35 -20.89 -15.70 30.44 -23.28 -14.28 30.64 -23.83 3 0 -6.75-999 ?-999 ?-999 ? NI NI B 500s mLYS^B 86 -15.41 28.41 -22.00 -15.28 28.07 -22.93 -14.22 26.53 -20.96 -14.40 25.53 -21.66 -15.35 27.56 -20.82 -16.71 26.86 -20.58 2 0 6.53-999 ?-999 ?-999 ? O9 UNL B 501 mPRO^B 87 -13.04 26.80 -20.35 -12.96 27.70 -19.92 -12.37 24.55 -19.53 -13.15 24.66 -18.57 -11.98 25.80 -20.34 -10.79 26.52 -19.67 3 0 -5.69-999 ?-999 ?-999 ? O9 UNL B 501s mMETB 88 -11.85 23.40 -19.94 -11.26 23.52 -20.74 -10.91 21.14 -19.48 -10.25 21.17 -20.51 -12.11 22.08 -19.31 -13.33 21.40 -19.94 2 0 8.93-999 ?-999 ?-999 ? O5 UNL B 501 mALA^B 89 -10.63 20.33 -18.46 -11.22 20.47 -17.67 -10.03 18.01 -17.87 -10.41 18.02 -16.71 -9.55 19.32 -18.51 -8.29 19.84 -17.81 2 0 10.45-999 ?-999 ?-999 ? O4 UNL B 501 mLYS^B 90 -10.02 16.90 -18.63 -9.74 17.06 -19.57 -9.46 15.15 -16.95 -9.91 14.67 -15.91 -10.41 15.57 -18.08 -10.46 14.46 -19.15 2 0 14.07-999 ?-999 ?-999 ? O4 UNL B 501 mGLU^B 91 -8.16 15.33 -17.20 -7.99 15.66 -18.13 -6.32 16.38 -16.00 -6.55 17.38 -16.70 -7.09 15.07 -16.23 -6.16 13.98 -16.74 2 0 14.06-999 ?-999 ?-999 ? O4 UNL B 501 mGLU^B 92 -5.40 16.38 -15.04 -5.27 15.49 -14.59 -3.90 18.13 -15.91 -3.24 17.36 -16.60 -4.65 17.59 -14.69 -3.68 17.39 -13.52 2 0 11.92-999 ?-999 ?-999 ? O4 UNL B 501 mCYH^B 93 -4.07 19.43 -16.17 -4.65 19.90 -15.51 -2.67 21.34 -16.86 -3.18 22.16 -16.10 -3.46 20.09 -17.31 -4.56 20.47 -18.29 2 0 10.18-999 ?-999 ?-999 ? O4 UNL B 501 mLYS^B 94 -1.45 21.47 -17.35 -1.21 20.73 -18.00 -0.57 23.56 -18.13 -0.24 23.22 -19.28 -0.53 22.56 -17.00 0.89 22.03 -16.82 2 0 9.91-999 ?-999 ?-999 ? O4 UNL B 501 mILE^B 95 -1.00 24.78 -17.82 -1.20 24.90 -16.84 -0.49 27.13 -18.40 -0.16 27.33 -17.21 -1.17 25.83 -18.82 -2.67 26.11 -19.13 3 0 8.18-999 ?-999 ?-999 ? O4 UNL B 501 mMETB 96 -0.27 27.97 -19.40 -0.46 27.61 -20.31 -0.78 30.28 -19.81 -1.24 30.07 -20.96 0.22 29.31 -19.18 1.63 29.52 -19.72 2 0 8.91-999 ?-999 ?-999 ? O4 UNL B 501 mILE^B 97 -1.11 31.32 -19.06 -0.70 31.29 -18.14 -1.17 33.69 -19.57 -0.34 33.93 -18.70 -1.98 32.40 -19.52 -3.23 32.56 -18.63 3 0 7.68-999 ?-999 ?-999 ? O5 UNL B 501 mILE^B 98 -1.43 34.50 -20.59 -2.13 34.13 -21.21 -1.91 36.78 -21.02 -2.78 36.55 -21.88 -0.77 35.78 -20.80 0.20 35.80 -22.03 3 0 9.87-999 ?-999 ?-999 ? O8 UNL B 501 mGLU^B 99 -1.93 37.83 -20.22 -1.19 37.85 -19.55 -2.49 40.13 -19.59 -1.54 40.07 -18.79 -2.96 38.86 -20.32 -4.28 38.34 -19.71 2 0 9.42-999 ?-999 ?-999 ? O8 UNL B 501 mPRO^B 100 -3.16 41.28 -19.84 -3.90 41.24 -20.52 -2.99 42.37 -17.60 -3.84 41.59 -17.16 -2.78 42.48 -19.10 -3.73 43.56 -19.66 3 0 11.96-999 ?-999 ?-999 ? O8 UNL B 501 mARG^B 101 -2.24 43.19 -16.85 -1.58 43.70 -17.39 -3.70 43.99 -15.10 -4.16 44.78 -15.93 -2.34 43.32 -15.38 -1.17 44.19 -14.80 2 0 13.00-999 ?-999 ?-999 ? O8 UNL B 501 mMETC 1 -4.51 39.51 -35.65 -4.28 40.12 -34.89 -5.81 37.51 -36.30 -5.94 37.28 -35.08 -4.84 38.58 -36.77 -3.58 37.93 -37.35 2 0 18.94-999 ?-999 ?-999 ? NI NI B 500 mGLN^C 2 -6.46 36.85 -37.26 -6.21 37.16 -38.18 -6.78 34.39 -37.10 -6.65 33.84 -38.20 -7.44 35.78 -37.00 -8.64 35.90 -37.96 2 0 17.89-999 ?-999 ?-999 ? NI NI B 500 mTHR^C 3 -6.36 33.85 -35.95 -6.53 34.45 -35.17 -6.72 31.43 -35.36 -7.89 31.74 -35.07 -5.71 32.51 -35.84 -4.44 32.55 -34.89 2 0 16.98-999 ?-999 ?-999 ? NI NI B 500 mLYS^C 4 -6.26 30.17 -35.36 -5.33 30.10 -35.71 -6.14 28.26 -33.88 -5.47 28.95 -33.09 -7.05 28.99 -34.89 -7.51 28.12 -36.08 2 0 16.23-999 ?-999 ?-999 ? NI NI B 500 mVAL^C 5 -6.10 26.92 -33.87 -6.73 26.47 -34.50 -3.77 26.27 -33.57 -3.55 25.83 -34.70 -5.17 26.20 -32.96 -5.55 24.73 -32.71 3 0 16.00-999 ?-999 ?-999 ? NI NI B 500 mILE^C 6 -2.83 26.79 -32.80 -3.15 27.04 -31.88 -0.58 25.95 -32.57 -0.45 25.98 -31.34 -1.46 26.99 -33.26 -0.98 28.41 -32.92 3 0 17.56-999 ?-999 ?-999 ? NI NI B 500 mASN^C 7 0.00 25.06 -33.36 -0.26 25.16 -34.32 2.31 24.54 -33.23 2.61 24.73 -34.41 0.91 24.03 -32.90 0.61 22.70 -33.60 2 0 19.72-999 ?-999 ?-999 ? O9 UNL B 501 mPHE^C 8 3.15 24.71 -32.21 2.79 24.43 -31.32 5.36 24.44 -33.33 5.96 24.99 -34.26 4.50 25.28 -32.39 5.24 25.52 -31.04 3 0 16.81-999 ?-999 ?-999 ? O3 UNL C 501 mASN^C 9 5.37 23.13 -33.11 4.80 22.84 -32.34 5.76 22.28 -35.43 6.66 22.29 -36.28 6.14 22.20 -33.94 6.00 20.76 -33.43 2 0 18.14-999 ?-999 ?-999 ? O3 UNL C 501 mASP^C 10 4.45 22.32 -35.72 3.86 22.26 -34.91 4.42 23.78 -37.69 4.87 23.82 -38.83 3.93 22.45 -37.09 2.40 22.41 -37.12 2 0 19.48-999 ?-999 ?-999 ? O3 UNL C 501 mLYS^C 11 4.34 24.86 -36.91 3.96 24.69 -36.00 6.29 26.22 -37.70 6.69 26.74 -38.75 4.79 26.18 -37.41 4.35 27.34 -36.52 2 0 16.24-999 ?-999 ?-999 ? O3 UNL C 501 mPHE^C 12 7.11 25.65 -36.81 6.65 25.30 -35.99 8.93 24.78 -38.28 9.92 25.10 -38.91 8.56 25.58 -37.03 9.33 24.98 -35.83 3 0 14.32-999 ?-999 ?-999 ? O3 UNL C 501 mSER^C 13 8.12 23.78 -38.63 7.33 23.65 -38.03 8.22 23.66 -41.16 8.75 23.20 -42.17 8.39 22.94 -39.82 7.52 21.67 -39.83 2 0 17.37-999 ?-999 ?-999 ? O3 UNL C 501 mLEU^C 14 7.47 24.77 -41.16 7.11 25.01 -40.26 8.39 26.41 -42.86 8.37 26.87 -44.00 7.21 25.57 -42.37 5.98 26.47 -42.16 3 0 16.96-999 ?-999 ?-999 ? O3 UNL C 501 mPHE^C 15 9.42 26.61 -42.03 9.32 26.19 -41.13 11.92 26.89 -41.87 11.95 26.35 -40.75 10.59 27.41 -42.44 10.39 28.88 -42.05 3 0 14.16-999 ?-999 ?-999 ? O3 UNL C 501 mASN^C 16 12.98 27.02 -42.66 12.74 27.37 -43.56 15.25 27.93 -42.14 16.35 27.84 -41.59 14.36 26.70 -42.25 14.97 25.68 -43.22 2 0 13.62-999 ?-999 ?-999 ? O3 UNL C 501 mGLN^C 17 14.79 29.08 -42.63 13.89 28.99 -43.07 15.74 30.76 -41.08 14.84 30.65 -40.24 15.52 30.33 -42.54 14.72 31.42 -43.27 2 0 11.09-999 ?-999 ?-999 ? O3 UNL C 501 mHIS^C 18 16.95 31.26 -40.80 17.57 31.26 -41.58 17.19 33.27 -39.32 17.14 33.99 -40.31 17.31 31.75 -39.47 18.71 31.33 -39.06 3 0 7.97-999 ?-999 ?-999 ? O3 UNL C 501 mTRP^C 19 17.13 33.72 -38.06 17.14 32.98 -37.38 15.95 35.96 -38.36 16.08 37.17 -38.53 17.05 35.14 -37.68 18.40 35.81 -37.96 3 0 -4.43-999 ?-999 ?-999 ? O3 UNL C 501s mSER^C 20 14.88 35.28 -38.77 14.88 34.32 -38.47 12.51 35.48 -38.87 11.90 34.46 -39.19 13.82 35.86 -39.55 13.93 35.31 -40.96 2 0 6.13-999 ?-999 ?-999 ? O3 UNL C 501 mPRO^C 21 12.07 36.29 -37.88 12.61 37.12 -37.73 9.58 35.77 -37.92 9.32 36.58 -38.79 10.88 35.93 -37.12 10.75 37.08 -36.12 3 0 6.13-999 ?-999 ?-999 ? O2 UNL C 501 mARG^C 22 8.83 34.71 -37.63 9.25 34.12 -36.94 6.44 34.76 -37.22 6.39 34.15 -36.16 7.52 34.42 -38.25 7.39 32.94 -38.62 2 0 9.92-999 ?-999 ?-999 ? O2 UNL C 501 mVAL^C 23 5.56 35.72 -37.52 5.73 36.16 -38.40 3.42 34.93 -36.67 2.95 34.60 -37.74 4.45 36.07 -36.61 3.80 37.42 -36.98 3 0 11.61-999 ?-999 ?-999 ? O2 UNL C 501 mILE^C 24 3.14 34.29 -35.54 3.67 34.62 -34.76 0.84 33.54 -34.80 -0.16 32.88 -35.01 2.15 33.19 -35.48 2.74 31.89 -34.87 3 0 14.52-999 ?-999 ?-999 ? O2 UNL C 501 mALA^C 25 0.84 34.58 -33.95 1.74 35.00 -33.85 -0.26 36.48 -32.86 0.84 37.05 -32.77 -0.37 35.03 -33.26 -0.62 34.19 -32.01 2 0 16.33-999 ?-999 ?-999 ? O2 UNL C 501 mGLU^C 26 -1.43 37.04 -32.59 -2.21 36.44 -32.76 -2.51 38.44 -30.89 -3.58 37.83 -30.93 -1.56 38.40 -32.10 -2.01 39.34 -33.23 2 0 16.35-999 ?-999 ?-999 ? NI NI B 500 mMETC 27 -2.08 39.13 -29.84 -1.15 39.49 -29.96 -2.88 40.86 -28.42 -1.85 41.45 -28.11 -2.85 39.34 -28.62 -2.14 38.68 -27.44 2 0 13.47-999 ?-999 ?-999 ? NI NI B 500 mASN^C 28 -4.06 41.46 -28.55 -4.81 40.81 -28.68 -3.19 43.51 -29.51 -3.21 43.10 -30.67 -4.21 42.92 -28.50 -4.09 43.46 -27.06 2 0 14.75-999 ?-999 ?-999 ? NI NI B 500 mASP^C 29 -2.25 44.36 -29.08 -2.32 44.53 -28.10 0.15 44.30 -29.82 1.19 44.92 -30.11 -1.24 44.97 -29.96 -1.17 46.50 -29.69 2 0 17.07-999 ?-999 ?-999 ? O9 UNL C 501 mTYR^C 30 0.16 43.03 -29.40 -0.76 42.68 -29.20 1.39 41.13 -30.26 0.34 40.71 -30.76 1.37 42.24 -29.23 1.48 41.65 -27.81 3 0 14.15-999 ?-999 ?-999 ? O9 UNL C 501 mGLN^C 31 2.61 40.68 -30.56 3.34 41.13 -30.05 3.68 38.53 -30.92 4.61 38.79 -30.15 2.86 39.64 -31.52 3.62 40.22 -32.70 2 0 12.67-999 ?-999 ?-999 ? O9 UNL C 501 mPHE^C 32 3.32 37.29 -31.25 2.47 37.27 -31.79 4.81 35.66 -32.14 4.19 35.51 -33.19 4.06 36.06 -30.88 3.10 34.96 -30.47 3 0 12.22-999 ?-999 ?-999 ? O2 UNL C 501 mLYS^C 33 6.14 35.52 -32.04 6.48 35.60 -31.11 7.90 34.10 -32.99 8.57 34.06 -31.95 6.99 35.26 -33.22 7.85 36.50 -33.52 2 0 9.25-999 ?-999 ?-999 ? O2 UNL C 501 mLEU^C 34 7.94 33.17 -33.95 7.30 33.33 -34.70 10.09 32.34 -34.69 10.02 33.00 -35.74 8.83 32.03 -33.88 8.16 30.76 -34.40 3 0 8.98-999 ?-999 ?-999 ? O3 UNL C 501 mVAL^C 35 11.23 31.94 -34.16 11.14 31.47 -33.28 13.39 30.92 -34.61 13.28 30.21 -33.60 12.51 32.15 -34.81 13.28 33.39 -34.24 3 0 6.38-999 ?-999 ?-999 ? O3 UNL C 501 mLYS^C 36 14.23 30.66 -35.62 14.08 31.24 -36.41 16.54 30.45 -35.61 16.68 31.32 -36.46 15.26 29.63 -35.58 15.16 28.70 -36.80 2 0 7.99-999 ?-999 ?-999 ? O3 UNL C 501 mVAL^C 37 17.44 30.23 -34.66 17.19 29.50 -34.02 19.92 30.13 -34.46 19.83 29.01 -33.96 18.69 31.01 -34.60 18.62 32.07 -33.48 3 0 6.67-999 ?-999 ?-999 ? O4 UNL C 501 mGLU^C 38 21.06 30.65 -34.90 20.97 31.57 -35.29 23.47 30.94 -35.05 23.39 31.77 -35.95 22.33 29.94 -34.82 22.39 28.81 -35.85 2 0 9.41-999 ?-999 ?-999 ? O4 UNL C 501 mGLY^C 39 24.53 30.83 -34.25 24.50 30.04 -33.63 25.27 32.97 -33.42 24.32 32.90 -32.64 25.64 31.78 -34.29-999.99-999.99-999.99 1 0 10.64-999 ?-999 ?-999 ? O4 UNL C 501 mGLU^C 40 26.01 34.07 -33.54 26.73 33.99 -34.23 24.92 36.28 -33.43 25.01 36.43 -34.64 25.77 35.26 -32.71 27.09 35.94 -32.33 2 0 9.42-999 ?-999 ?-999 ? O4 UNL C 501 mPHE^C 41 24.12 37.01 -32.67 24.08 36.71 -31.71 24.35 39.36 -32.99 25.57 39.18 -33.03 23.37 38.16 -33.19 22.03 38.28 -32.44 3 0 6.93-999 ?-999 ?-999 ? O5 UNL C 501 mVAL^C 42 23.83 40.57 -32.82 22.83 40.57 -32.88 24.14 42.41 -31.27 23.03 42.12 -30.79 24.60 41.78 -32.58 24.42 42.81 -33.73 3 0 8.26-999 ?-999 ?-999 ? O8 UNL C 501 mTRP^C 43 24.99 43.25 -30.68 25.89 43.31 -31.13 23.57 45.05 -29.87 23.81 45.82 -30.78 24.62 43.99 -29.46 25.82 44.70 -28.83 3 0 8.51-999 ?-999 ?-999 ? NI NI C 500 mHIS^C 44 22.43 45.07 -29.18 22.39 44.38 -28.46 20.43 46.14 -28.23 20.55 45.38 -27.27 21.35 46.02 -29.45 20.55 45.54 -30.68 3 0 6.40-999 ?-999 ?-999 ? NI NI C 500s mGLU^C 45 19.49 47.09 -28.30 19.55 47.61 -29.15 17.12 47.69 -27.89 17.05 48.05 -29.07 18.49 47.36 -27.26 18.92 48.57 -26.43 2 0 5.88-999 ?-999 ?-999 ? NI NI C 500 mHIS^C 46 16.07 47.60 -27.07 16.30 47.17 -26.20 14.44 49.11 -26.36 14.17 48.76 -25.23 14.71 48.07 -27.42 13.69 46.95 -27.40 3 0 6.34-999 ?-999 ?-999 ? NI NI C 500s mALA^C 47 14.57 50.38 -26.72 14.77 50.51 -27.69 13.05 51.59 -25.11 12.95 51.90 -23.93 14.43 51.46 -25.74 14.85 52.82 -26.36 2 0 10.03-999 ?-999 ?-999 ? NI NI C 500 mASP^C 48 11.99 51.28 -25.85 12.22 50.88 -26.74 9.81 50.32 -24.91 8.67 50.49 -24.48 10.61 51.53 -25.37 9.85 52.30 -26.46 2 0 11.54-999 ?-999 ?-999 ? NI NI C 500 mTHR^C 49 10.39 49.12 -24.94 11.33 49.11 -25.28 10.51 46.81 -23.97 11.67 46.63 -24.38 9.65 47.93 -24.51 8.79 47.35 -25.69 2 0 9.84-999 ?-999 ?-999 ? NI NI C 500 mASP^C 50 9.91 46.06 -23.04 9.04 46.43 -22.71 10.30 43.80 -23.71 9.42 43.97 -24.59 10.45 44.80 -22.56 9.68 44.27 -21.34 2 0 8.97-999 ?-999 ?-999 ? NI NI C 500 mGLU^C 51 11.15 42.79 -23.73 11.80 42.81 -22.97 11.25 40.39 -24.08 12.10 40.22 -23.18 11.13 41.74 -24.77 12.29 41.98 -25.76 2 0 6.58-999 ?-999 ?-999 ? NI NI C 500s mVAL^C 52 10.40 39.43 -24.45 9.76 39.71 -25.17 10.99 37.08 -24.80 10.59 37.06 -25.97 10.41 38.10 -23.83 8.98 37.66 -23.37 3 0 8.69-999 ?-999 ?-999 ? NI NI C 500 mPHE^C 53 11.94 36.28 -24.31 12.27 36.57 -23.41 11.97 33.83 -24.31 12.08 33.72 -23.07 12.47 35.10 -25.02 14.00 35.05 -25.01 3 0 -8.31-999 ?-999 ?-999 ? O8 UNL C 501s mILE^C 54 11.44 32.89 -25.08 11.34 33.19 -26.03 11.78 30.54 -25.48 11.60 30.57 -26.70 11.05 31.56 -24.59 9.53 31.32 -24.67 3 0 11.09-999 ?-999 ?-999 ? O5 UNL C 501 mVAL^C 55 12.61 29.69 -24.88 12.72 29.82 -23.90 12.36 27.42 -25.76 11.91 26.88 -24.75 13.30 28.64 -25.66 14.64 28.23 -25.07 3 0 11.50-999 ?-999 ?-999 ? O4 UNL C 501 mMETC 56 12.12 27.01 -27.00 12.60 27.54 -27.70 12.05 24.60 -27.49 11.62 23.52 -27.06 11.23 25.88 -27.32 10.46 26.16 -28.62 2 0 13.53-999 ?-999 ?-999 ? O4 UNL C 501 mGLU^C 57 13.20 24.72 -28.16 13.37 25.64 -28.50 15.55 24.12 -28.51 15.78 25.15 -29.16 14.12 23.60 -28.38 13.72 22.83 -29.65 2 0 14.37-999 ?-999 ?-999 ? O4 UNL C 501 mGLY^C 58 16.50 23.42 -27.90 16.14 22.63 -27.41 18.35 24.60 -26.72 17.69 24.58 -25.67 17.92 23.78 -27.93-999.99-999.99-999.99 1 0 14.21-999 ?-999 ?-999 ? O4 UNL C 501 mTHR^C 59 19.48 25.30 -26.88 19.88 25.21 -27.79 20.46 27.49 -26.38 21.24 27.59 -27.33 20.07 26.12 -25.83 21.34 25.45 -25.26 2 0 13.44-999 ?-999 ?-999 ? O4 UNL C 501 mLEU^C 60 19.92 28.54 -25.76 19.31 28.28 -25.01 21.06 30.58 -25.06 20.85 30.34 -23.85 20.20 29.93 -26.13 18.88 30.72 -26.23 3 0 10.42-999 ?-999 ?-999 ? O4 UNL C 501 mGLN^C 61 22.03 31.39 -25.49 22.20 31.34 -26.48 22.37 33.70 -24.86 22.11 34.04 -26.01 22.77 32.26 -24.58 24.29 32.11 -24.72 2 0 11.05-999 ?-999 ?-999 ? O5 UNL C 501 mILE^C 62 22.24 34.50 -23.81 22.30 34.04 -22.93 23.13 36.64 -23.22 23.25 36.51 -21.99 22.01 35.94 -23.97 20.66 36.45 -23.50 3 0 8.79-999 ?-999 ?-999 ? O8 UNL C 501 mALA^C 63 23.96 37.35 -23.98 23.77 37.28 -24.96 24.49 39.52 -23.04 23.72 40.10 -23.80 25.04 38.15 -23.43 26.17 38.31 -24.44 2 0 10.48-999 ?-999 ?-999 ? O8 UNL C 501 mPHE^C 64 24.84 39.96 -21.84 25.29 39.26 -21.29 25.99 41.84 -20.97 26.95 41.05 -20.84 24.61 41.31 -21.34 23.72 41.34 -20.11 3 0 11.13-999 ?-999 ?-999 ? NI NI C 500 mARG^C 65 26.10 43.15 -20.78 25.25 43.66 -20.86 28.03 43.31 -19.14 29.26 43.31 -18.99 27.41 43.74 -20.49 27.33 45.28 -20.58 2 0 13.91-999 ?-999 ?-999 ? NI NI C 500 mASP^C 66 27.17 42.93 -18.21 26.22 42.96 -18.52 27.38 41.04 -16.54 27.94 40.60 -15.54 27.55 42.52 -16.87 26.78 43.37 -15.84 2 0 16.34-999 ?-999 ?-999 ? NI NI C 500 mGLN^C 67 26.71 40.27 -17.39 26.45 40.75 -18.23 26.06 38.12 -18.43 25.58 38.73 -19.37 26.37 38.86 -17.12 25.08 38.85 -16.22 2 0 15.70-999 ?-999 ?-999 ? NI NI C 500 mASN^C 68 26.36 36.83 -18.50 26.91 36.50 -17.74 24.84 35.06 -19.01 25.06 34.50 -17.95 25.90 35.97 -19.61 27.00 35.10 -20.21 2 0 14.19-999 ?-999 ?-999 ? O8 UNL C 501 mILE^C 69 23.74 34.88 -19.71 23.76 35.37 -20.58 22.48 32.90 -20.23 22.74 33.07 -21.42 22.61 34.07 -19.26 21.34 34.99 -19.26 3 0 13.43-999 ?-999 ?-999 ? O8 UNL C 501 mTHR^C 70 22.09 31.72 -19.74 22.00 31.72 -18.74 20.39 30.12 -20.33 19.95 30.07 -19.17 21.83 30.54 -20.57 22.79 29.38 -20.26 2 0 14.20-999 ?-999 ?-999 ? O8 UNL C 501 mLEU^C 71 19.64 29.90 -21.42 20.13 30.07 -22.28 18.14 28.10 -22.09 18.59 27.95 -23.24 18.26 29.45 -21.39 17.33 30.42 -22.11 3 0 13.51-999 ?-999 ?-999 ? O5 UNL C 501 mGLN^C 72 17.56 27.14 -21.39 17.35 27.39 -20.45 15.81 25.79 -22.41 15.03 26.71 -22.13 17.27 25.83 -21.95 17.47 24.74 -20.90 2 0 15.61-999 ?-999 ?-999 ? O5 UNL C 501 mALA^C 73 15.45 24.71 -23.10 16.21 24.10 -23.31 13.18 24.47 -22.26 13.59 23.99 -21.22 14.07 24.45 -23.51 13.96 23.10 -24.26 2 0 15.85-999 ?-999 ?-999 ? O4 UNL C 501 mGLY^C 74 12.01 25.08 -22.36 11.80 25.43 -23.27 11.57 26.32 -20.20 11.20 26.25 -19.01 11.12 25.24 -21.21-999.99-999.99-999.99 1 0 17.41-999 ?-999 ?-999 ? O5 UNL C 501 mGLU^C 75 12.36 27.29 -20.68 12.63 27.16 -21.64 12.58 29.74 -20.62 12.66 29.79 -21.86 12.80 28.43 -19.89 14.27 28.31 -19.44 2 0 15.68-999 ?-999 ?-999 ? O5 UNL C 501 mMETC 76 12.29 30.79 -19.86 12.22 30.59 -18.88 12.89 33.18 -19.67 13.40 32.97 -18.56 12.10 32.12 -20.40 10.62 32.53 -20.44 2 0 13.31-999 ?-999 ?-999 ? O8 UNL C 501 mTYR^C 77 12.96 34.35 -20.31 12.51 34.34 -21.20 13.04 36.78 -20.30 12.68 36.82 -21.48 13.64 35.51 -19.73 15.15 35.44 -20.06 3 0 11.50-999 ?-999 ?-999 ? NI NI C 500 mVAL^C 78 12.93 37.81 -19.46 13.26 37.62 -18.54 13.54 40.08 -20.01 14.20 40.33 -19.03 12.38 39.11 -19.89 11.38 39.67 -18.84 3 0 10.17-999 ?-999 ?-999 ? NI NI C 500 mILE^C 79 13.81 40.59 -21.22 13.24 40.23 -21.95 14.24 42.94 -21.00 13.29 43.37 -21.69 14.89 41.61 -21.39 15.40 41.73 -22.86 3 0 7.53-999 ?-999 ?-999 ? NI NI C 500 mPRO^C 80 14.69 43.58 -19.88 15.41 43.12 -19.36 14.34 45.93 -20.62 15.35 45.85 -21.33 14.08 44.87 -19.54 14.75 45.26 -18.22 3 0 9.89-999 ?-999 ?-999 ? NI NI C 500 mLYS^C 81 13.42 46.88 -20.76 12.64 46.82 -20.13 14.88 48.68 -21.58 15.29 48.94 -20.46 13.58 47.90 -21.79 12.37 48.85 -21.88 2 0 9.48-999 ?-999 ?-999 ? NI NI C 500 mGLY^C 82 15.52 49.03 -22.70 15.07 48.74 -23.54 18.00 48.96 -22.30 19.08 49.55 -22.27 16.77 49.76 -22.67-999.99-999.99-999.99 1 0 9.80-999 ?-999 ?-999 ? NI NI C 500 mVAL^C 83 17.86 47.66 -22.02 16.93 47.31 -22.12 19.64 46.23 -22.89 18.98 45.53 -23.67 19.00 46.83 -21.63 18.63 45.76 -20.55 3 0 8.96-999 ?-999 ?-999 ? NI NI C 500 mGLU^C 84 20.92 46.54 -23.09 21.30 47.12 -22.37 21.95 44.57 -24.10 22.27 44.09 -23.02 21.69 46.08 -24.22 22.99 46.88 -24.33 2 0 8.06-999 ?-999 ?-999 ? NI NI C 500 mHIS^C 85 21.76 43.83 -25.18 21.51 44.37 -25.99 22.27 41.81 -26.56 22.09 42.48 -27.57 21.90 42.37 -25.19 20.62 41.69 -24.67 3 0 -6.60-999 ?-999 ?-999 ? NI NI C 500s mLYS^C 86 22.79 40.59 -26.55 22.86 40.19 -25.63 22.92 38.39 -27.59 23.65 37.69 -26.88 23.23 39.88 -27.74 24.72 40.11 -27.98 2 0 6.59-999 ?-999 ?-999 ? O8 UNL C 501 mPRO^C 87 21.79 37.93 -28.17 21.18 38.62 -28.57 22.49 35.74 -29.08 23.05 36.30 -30.05 21.51 36.50 -28.18 20.09 36.40 -28.75 3 0 6.04-999 ?-999 ?-999 ? O8 UNL C 501 mMETC 88 22.73 34.49 -28.72 22.26 34.22 -27.88 23.26 32.16 -29.18 22.79 31.84 -28.08 23.60 33.62 -29.48 25.09 33.96 -29.23 2 0 8.54-999 ?-999 ?-999 ? O4 UNL C 501 mALA^C 89 23.48 31.31 -30.18 23.84 31.74 -31.01 24.36 29.11 -30.73 24.71 29.38 -31.89 23.21 29.87 -30.08 21.87 29.53 -30.75 2 0 10.18-999 ?-999 ?-999 ? O4 UNL C 501 mLYS^C 90 24.96 28.18 -29.99 24.60 28.10 -29.06 25.55 26.45 -31.63 26.24 26.27 -32.63 26.06 27.35 -30.51 26.75 26.55 -29.40 2 0 13.79-999 ?-999 ?-999 ? O4 UNL C 501 mGLU^C 91 24.36 25.90 -31.46 23.98 26.08 -30.55 22.32 25.69 -32.74 21.93 26.63 -32.05 23.68 25.09 -32.49 23.58 23.65 -32.03 2 0 13.95-999 ?-999 ?-999 ? O4 UNL C 501 mGLU^C 92 21.59 25.18 -33.73 22.02 24.42 -34.22 19.39 25.68 -32.79 19.32 24.65 -32.12 20.27 25.73 -34.03 19.55 25.01 -35.15 2 0 11.99-999 ?-999 ?-999 ? O4 UNL C 501 mCYH^C 93 18.77 26.82 -32.48 18.98 27.56 -33.11 16.55 27.51 -31.83 16.52 28.44 -32.63 17.89 26.96 -31.34 18.55 27.86 -30.30 2 0 10.30-999 ?-999 ?-999 ? O4 UNL C 501 mLYS^C 94 15.45 26.89 -31.38 15.65 26.10 -30.79 13.56 28.12 -30.55 13.54 27.64 -29.40 14.08 27.30 -31.73 13.19 26.10 -31.98 2 0 10.11-999 ?-999 ?-999 ? O4 UNL C 501 mILE^C 95 13.20 29.38 -30.84 13.31 29.61 -31.81 11.38 30.98 -30.25 10.99 30.96 -31.44 12.70 30.32 -29.85 13.76 31.42 -29.54 3 0 8.29-999 ?-999 ?-999 ? O4 UNL C 501 mMETC 96 10.72 31.55 -29.25 11.11 31.35 -28.35 9.83 33.73 -28.75 10.29 33.76 -27.62 9.54 32.38 -29.42 8.27 31.76 -28.83 2 0 9.06-999 ?-999 ?-999 ? O4 UNL C 501 mILE^C 97 9.60 34.81 -29.50 9.34 34.59 -30.44 8.31 36.75 -28.89 7.47 36.51 -29.77 9.72 36.17 -28.99 10.60 37.06 -29.88 3 0 7.62-999 ?-999 ?-999 ? O5 UNL C 501 mILE^C 98 8.06 37.46 -27.79 8.82 37.47 -27.14 7.13 39.60 -27.24 7.95 39.86 -26.36 6.78 38.14 -27.55 5.96 37.56 -26.38 3 0 9.74-999 ?-999 ?-999 ? O9 UNL C 501 mGLU^C 99 6.53 40.51 -28.00 5.92 40.12 -28.69 5.66 42.74 -28.60 4.92 42.15 -29.39 6.76 41.94 -27.84 8.15 42.29 -28.37 2 0 9.17-999 ?-999 ?-999 ? O9 UNL C 501 mPRO^C 100 5.56 44.06 -28.35 6.20 44.43 -27.68 4.79 44.93 -30.56 5.94 44.84 -31.00 4.55 44.84 -29.06 4.67 46.24 -28.45 3 0 11.56-999 ?-999 ?-999 ? O9 UNL C 501 mARG^C 101 3.72 45.08 -31.32 2.85 44.99 -30.84 4.32 46.81 -32.88 3.98 47.65 -32.03 3.84 45.35 -32.75 2.50 45.18 -33.45 2 0 12.41-999 ?-999 ?-999 ? O9 UNL C 501 mGLY^D 0 3.94 74.81 -33.32 4.76 75.22 -32.93 3.09 73.06 -34.82 3.69 72.08 -34.37 2.71 74.20 -33.90-999.99-999.99-999.99 1 0 19.68-999 ?-999 ?-999 ? NI NI E 500 mMETD 1 2.77 73.18 -36.11 2.27 74.02 -36.33 4.59 72.09 -37.48 5.05 71.04 -37.93 3.12 72.15 -37.11 2.30 72.28 -38.37 2 0 16.04-999 ?-999 ?-999 ? NI NI E 500 mGLN^D 2 5.32 73.20 -37.32 4.78 74.01 -37.07 7.45 72.20 -36.54 8.47 71.61 -36.89 6.78 73.22 -37.50 7.34 74.64 -37.30 2 0 17.02-999 ?-999 ?-999 ? NI NI E 500 mTHR^D 3 6.86 71.98 -35.35 6.06 72.56 -35.19 7.40 69.56 -34.97 8.18 68.73 -34.47 7.35 70.98 -34.38 6.51 70.93 -33.04 2 0 17.69-999 ?-999 ?-999 ? O3 GOL D 502 mLYS^D 4 6.57 69.27 -36.00 5.94 70.01 -36.23 7.67 67.88 -37.83 7.78 66.82 -38.44 6.60 67.99 -36.72 5.20 67.57 -37.26 2 0 16.30-999 ?-999 ?-999 ? O3 GOL E 502 mVAL^D 5 8.45 68.93 -38.10 8.23 69.75 -37.58 10.65 67.96 -38.49 11.04 68.20 -37.36 9.55 68.83 -39.10 10.14 70.21 -39.48 3 0 12.89-999 ?-999 ?-999 ? O3 GOL E 502 mILE^D 6 11.10 66.94 -39.23 10.68 66.89 -40.13 13.46 66.29 -39.42 13.54 66.24 -40.65 12.13 66.00 -38.75 11.77 64.52 -39.07 3 0 10.21-999 ?-999 ?-999 ? O3 GOL D 502 mASN^D 7 14.49 66.55 -38.63 14.25 66.55 -37.66 16.66 65.53 -38.81 16.84 65.16 -37.64 15.84 66.79 -39.11 16.40 68.04 -38.44 2 0 7.21-999 ?-999 ?-999 ? O3 GOL D 502 mPHE^D 8 17.17 64.88 -39.85 17.02 65.34 -40.72 19.10 63.72 -38.76 19.24 62.87 -37.89 17.90 63.61 -39.69 18.30 63.00 -41.03 3 0 4.59-999 ?-999 ?-999 ? O2 GOL D 502 mASN^D 9 19.92 64.77 -38.90 19.67 65.38 -39.65 20.66 65.09 -36.55 21.32 64.51 -35.67 21.08 64.99 -38.01 21.90 66.25 -38.38 2 0 -4.10-999 ?-999 ?-999 ? O2 GOL D 502s mASP^D 10 19.57 65.85 -36.29 19.18 66.26 -37.11 18.68 64.69 -34.30 19.03 64.40 -33.15 19.03 66.04 -34.91 17.75 66.92 -34.87 2 0 7.77-999 ?-999 ?-999 ? O2 GOL D 502 mLYS^D 11 17.99 63.86 -35.08 17.80 64.22 -35.99 18.73 61.57 -34.42 18.77 60.87 -33.41 17.56 62.53 -34.61 16.49 61.93 -35.53 2 0 7.95-999 ?-999 ?-999 ? O2 GOL D 502 mPHE^D 12 19.69 61.57 -35.35 19.50 62.16 -36.14 21.74 61.14 -33.96 22.35 60.26 -33.34 20.91 60.76 -35.20 21.83 60.81 -36.43 3 0 -6.30-999 ?-999 ?-999 ? O2 GOL D 502s mSER^D 13 21.74 62.42 -33.58 21.21 63.03 -34.17 21.85 62.39 -31.04 22.55 62.39 -30.02 22.49 62.85 -32.38 22.71 64.36 -32.37 2 0 8.75-999 ?-999 ?-999 ? O2 GOL D 502 mLEU^D 14 20.57 61.99 -31.04 20.14 62.04 -31.94 20.35 60.13 -29.31 20.00 59.75 -28.17 19.89 61.51 -29.82 18.37 61.47 -30.02 3 0 11.56-999 ?-999 ?-999 ? O2 GOL D 502 mPHE^D 15 21.07 59.36 -30.12 21.28 59.76 -31.02 22.84 57.60 -30.33 23.18 58.02 -31.44 21.51 58.03 -29.70 20.42 57.01 -30.04 3 0 12.29-999 ?-999 ?-999 ? O2 GOL D 502 mASN^D 16 23.58 56.79 -29.58 23.21 56.63 -28.67 24.76 54.67 -30.16 25.65 54.08 -30.76 24.82 56.19 -30.05 25.99 56.65 -29.18 2 0 13.04-999 ?-999 ?-999 ? O2 GOL D 502 mGLN^D 17 23.71 54.03 -29.62 23.04 54.64 -29.19 23.41 52.08 -31.08 22.61 52.63 -31.83 23.56 52.58 -29.65 22.34 52.13 -28.85 2 0 11.01-999 ?-999 ?-999 ? O3 UNL D 501 mHIS^D 18 24.17 51.05 -31.41 24.73 50.70 -30.66 23.10 49.40 -32.89 22.61 48.85 -31.89 24.18 50.47 -32.74 25.57 49.90 -33.06 3 0 8.05-999 ?-999 ?-999 ? O3 UNL D 501 mTRP^D 19 22.74 49.14 -34.15 23.21 49.74 -34.80 20.39 48.14 -33.84 19.73 47.11 -33.64 21.76 48.09 -34.56 22.39 46.70 -34.34 3 0 -4.46-999 ?-999 ?-999 ? O3 UNL D 501s mSER^D 20 19.99 49.35 -33.45 20.59 50.08 -33.75 18.01 50.67 -33.37 18.25 51.85 -33.10 18.78 49.58 -32.67 19.17 49.93 -31.25 2 0 6.09-999 ?-999 ?-999 ? O3 UNL D 501 mPRO^D 21 17.14 50.28 -34.32 17.03 49.30 -34.45 15.48 52.15 -34.27 14.80 51.65 -33.38 16.42 51.28 -35.10 15.67 50.45 -36.17 3 0 5.96-999 ?-999 ?-999 ? O2 UNL D 501 mARG^D 22 15.51 53.46 -34.53 16.16 53.72 -35.24 13.64 54.94 -34.85 14.02 55.52 -35.86 14.66 54.43 -33.85 15.48 55.60 -33.34 2 0 9.72-999 ?-999 ?-999 ? O2 UNL D 501 mVAL^D 23 12.35 54.73 -34.56 12.20 54.24 -33.71 11.18 56.73 -35.37 10.95 57.28 -34.31 11.26 55.20 -35.42 9.88 54.58 -35.01 3 0 11.53-999 ?-999 ?-999 ? O2 UNL D 501 mILE^D 24 11.42 57.40 -36.49 11.65 56.80 -37.26 10.05 59.41 -37.18 9.71 60.58 -37.00 11.33 58.88 -36.54 12.56 59.53 -37.21 3 0 12.28-999 ?-999 ?-999 ? O2 GOL D 502 mALA^D 25 9.35 58.58 -37.95 9.74 57.67 -38.05 7.27 57.83 -38.99 7.76 56.70 -39.06 8.11 59.02 -38.59 8.43 59.88 -39.81 2 0 14.11-999 ?-999 ?-999 ? C3 GOL E 502 mGLU^D 26 5.99 58.11 -39.22 5.75 59.07 -39.05 4.26 57.69 -40.87 3.85 58.85 -40.85 5.03 57.14 -39.69 4.08 56.76 -38.57 2 0 16.31-999 ?-999 ?-999 ? NI NI E 500 mMETD 27 4.11 56.85 -41.90 4.57 55.98 -41.75 2.39 55.98 -43.30 2.81 54.90 -43.67 3.35 57.15 -43.12 4.29 57.24 -44.32 2 0 13.44-999 ?-999 ?-999 ? NI NI E 500 mASN^D 28 1.10 56.22 -43.09 0.90 57.19 -42.92 0.57 54.08 -42.13 0.99 54.42 -41.03 0.07 55.18 -43.10 -0.23 54.70 -44.56 2 0 14.70-999 ?-999 ?-999 ? NI NI E 500 mASP^D 29 0.65 52.83 -42.58 0.33 52.74 -43.53 2.64 51.40 -41.97 3.09 50.28 -41.72 1.14 51.70 -41.78 0.26 50.45 -42.04 2 0 16.98-999 ?-999 ?-999 ? O8 UNL D 501 mTYR^D 30 3.42 52.39 -42.41 2.91 53.23 -42.60 5.61 53.13 -41.56 5.06 54.08 -41.01 4.87 52.28 -42.59 5.28 52.68 -44.02 3 0 14.15-999 ?-999 ?-999 ? O8 UNL D 501 mGLN^D 31 6.85 52.74 -41.29 7.12 51.92 -41.79 9.06 53.81 -41.04 9.56 53.04 -41.86 7.74 53.46 -40.36 7.99 52.62 -39.13 2 0 12.71-999 ?-999 ?-999 ? O1 UNL D 501 mPHE^D 32 9.58 55.00 -40.71 8.97 55.53 -40.13 11.72 55.30 -39.89 11.33 55.81 -38.85 10.90 55.47 -41.15 10.86 56.94 -41.57 3 0 12.17-999 ?-999 ?-999 ? O2 UNL D 501 mLYS^D 33 12.83 54.58 -39.99 13.04 54.30 -40.93 15.10 54.59 -39.10 15.63 54.22 -40.14 13.65 54.25 -38.83 13.53 52.74 -38.53 2 0 9.20-999 ?-999 ?-999 ? O2 UNL D 501 mLEU^D 34 15.74 55.22 -38.12 15.16 55.44 -37.34 17.94 54.53 -37.43 17.51 54.10 -36.36 17.16 55.56 -38.20 17.44 56.96 -37.65 3 0 8.86-999 ?-999 ?-999 ? O3 UNL D 501 mVAL^D 35 19.10 54.15 -37.97 19.31 54.59 -38.84 21.44 53.58 -37.50 21.81 54.16 -38.53 19.97 53.16 -37.32 19.77 51.73 -37.94 3 0 6.27-999 ?-999 ?-999 ? O3 UNL D 501 mLYS^D 36 22.25 53.30 -36.48 21.77 53.00 -35.66 24.21 51.99 -36.58 23.81 51.18 -35.74 23.70 53.44 -36.55 24.26 54.22 -35.35 2 0 7.95-999 ?-999 ?-999 ? O3 UNL D 501 mVAL^D 37 25.04 51.65 -37.57 25.28 52.41 -38.18 27.07 50.23 -37.91 27.66 51.15 -38.46 25.55 50.28 -37.74 24.83 49.56 -38.91 3 0 6.79-999 ?-999 ?-999 ? O4 UNL D 501 mGLU^D 38 27.68 49.17 -37.39 27.07 48.56 -36.89 29.38 47.44 -37.37 28.80 46.82 -36.50 29.13 48.94 -37.54 29.95 49.76 -36.54 2 0 9.62-999 ?-999 ?-999 ? O4 UNL D 501 mGLY^D 39 30.25 46.87 -38.19 30.71 47.51 -38.81 29.43 44.76 -39.02 28.78 45.40 -39.86 30.50 45.43 -38.18-999.99-999.99-999.99 1 0 10.76-999 ?-999 ?-999 ? O4 UNL D 501 mGLU^D 40 29.23 43.47 -38.77 29.77 43.13 -38.00 27.01 42.31 -38.80 27.02 42.13 -37.59 28.29 42.65 -39.54 28.97 41.32 -39.89 2 0 9.39-999 ?-999 ?-999 ? O4 UNL D 501 mPHE^D 41 25.92 42.18 -39.55 26.06 42.40 -40.51 24.59 40.21 -39.19 25.63 39.56 -39.11 24.63 41.76 -39.01 23.49 42.52 -39.74 3 0 6.98-999 ?-999 ?-999 ? O4 UNL D 501 mVAL^D 42 23.41 39.64 -39.42 22.66 40.30 -39.44 22.41 38.05 -40.92 21.76 38.98 -41.38 23.20 38.21 -39.63 22.40 37.57 -38.43 3 0 8.42-999 ?-999 ?-999 ? O9 UNL D 501 mTRP^D 43 22.49 36.86 -41.51 23.12 36.22 -41.06 20.27 36.31 -42.28 19.96 35.51 -41.42 21.72 36.51 -42.69 22.23 35.21 -43.31 3 0 8.44-999 ?-999 ?-999 ? NI NI D 500 mHIS^D 44 19.38 37.04 -42.94 19.78 37.63 -43.64 17.18 37.48 -43.84 17.78 38.03 -44.79 17.96 36.97 -42.65 17.66 37.85 -41.44 3 0 6.42-999 ?-999 ?-999 ? NI NI D 500s mGLU^D 45 15.86 37.31 -43.78 15.56 36.82 -42.96 13.63 38.30 -44.22 13.35 38.05 -43.05 14.95 37.81 -44.82 14.74 36.76 -45.93 2 0 5.89-999 ?-999 ?-999 ? NI NI D 500 mHIS^D 46 12.87 39.03 -45.04 13.29 39.19 -45.93 10.66 38.94 -45.74 10.64 39.40 -46.89 11.54 39.55 -44.68 11.51 41.08 -44.67 3 0 6.45-999 ?-999 ?-999 ? NI NI D 500s mALA^D 47 9.97 37.86 -45.37 10.05 37.63 -44.40 8.02 37.85 -47.03 7.70 37.58 -48.20 9.16 37.10 -46.36 8.62 35.78 -45.73 2 0 10.16-999 ?-999 ?-999 ? NI NI D 500 mASP^D 48 7.42 38.78 -46.30 7.87 38.98 -45.43 6.35 40.92 -47.13 5.35 41.53 -47.48 6.21 39.45 -46.75 5.12 39.27 -45.68 2 0 11.64-999 ?-999 ?-999 ? NI NI D 500 mTHR^D 49 7.56 41.47 -47.10 8.30 40.87 -46.80 9.09 43.21 -48.09 10.12 42.65 -47.67 7.73 42.88 -47.50 7.47 43.86 -46.28 2 0 9.87-999 ?-999 ?-999 ? NI NI D 500 mASP^D 50 9.08 44.13 -49.06 8.17 44.36 -49.41 10.82 45.62 -48.35 10.06 45.99 -47.47 10.31 44.75 -49.53 10.11 45.67 -50.72 2 0 9.02-999 ?-999 ?-999 ? NI NI D 500 mGLU^D 51 12.11 45.92 -48.35 12.60 45.55 -49.14 13.69 47.72 -48.00 14.52 47.31 -48.81 12.74 46.74 -47.32 13.51 45.84 -46.34 2 0 6.62-999 ?-999 ?-999 ? NI NI D 500s mVAL^D 52 13.58 49.00 -47.64 12.87 49.16 -46.96 15.52 50.46 -47.24 15.28 50.61 -46.06 14.41 50.05 -48.20 13.55 51.28 -48.61 3 0 8.70-999 ?-999 ?-999 ? NI NI D 500 mPHE^D 53 16.74 50.58 -47.78 16.78 50.27 -48.73 18.31 52.41 -47.79 18.45 52.42 -49.02 17.89 51.13 -47.08 19.09 50.18 -47.14 3 0 -8.30-999 ?-999 ?-999 ? O9 UNL D 501s mILE^D 54 18.48 53.47 -47.02 18.23 53.32 -46.07 20.19 55.04 -46.63 20.06 55.05 -45.40 19.00 54.74 -47.52 17.97 55.88 -47.43 3 0 6.22-999 ?-999 ?-999 ? O1 GOL E 502 mVAL^D 55 21.37 55.22 -47.23 21.34 55.08 -48.22 22.62 57.12 -46.41 22.52 57.81 -47.43 22.57 55.59 -46.48 23.83 55.00 -47.10 3 0 5.61-999 ?-999 ?-999 ? O1 GOL E 502 mMETD 56 22.77 57.63 -45.19 22.88 56.91 -44.50 24.22 59.56 -44.67 24.53 60.68 -45.04 22.78 59.07 -44.86 22.01 59.32 -43.56 2 0 4.22-999 ?-999 ?-999 ? O1 GOL E 502 mGLU^D 57 25.06 58.72 -44.06 24.63 57.87 -43.76 27.24 57.69 -43.73 26.76 56.71 -43.13 26.47 59.01 -43.83 26.64 59.82 -42.56 2 0 -5.15-999 ?-999 ?-999 ? O1 GOL D 502s mGLY^D 58 28.42 57.67 -44.36 28.65 58.54 -44.81 29.06 55.59 -45.56 28.43 55.97 -46.56 29.29 56.51 -44.38-999.99-999.99-999.99 1 0 8.62-999 ?-999 ?-999 ? O1 GOL D 502 mTHR^D 59 29.59 54.38 -45.43 30.05 54.23 -44.56 28.92 52.09 -45.89 29.39 51.59 -44.87 29.51 53.36 -46.47 30.90 53.05 -47.04 2 0 11.45-999 ?-999 ?-999 ? O1 GOL E 502 mLEU^D 60 27.90 51.57 -46.57 27.63 52.12 -47.36 27.45 49.31 -47.30 27.41 49.65 -48.47 27.23 50.34 -46.20 25.72 50.57 -46.06 3 0 10.56-999 ?-999 ?-999 ? O4 UNL D 501 mGLN^D 61 27.70 48.06 -46.89 27.86 47.99 -45.90 26.55 46.05 -47.42 26.17 46.01 -46.26 27.75 46.91 -47.79 29.01 46.10 -47.58 2 0 11.24-999 ?-999 ?-999 ? O5 UNL D 501 mILE^D 62 25.91 45.43 -48.41 26.22 45.70 -49.33 25.26 43.20 -48.90 25.44 43.23 -50.14 24.84 44.46 -48.15 23.44 44.90 -48.60 3 0 8.96-999 ?-999 ?-999 ? O9 UNL D 501 mALA^D 63 25.48 42.13 -48.14 25.35 42.28 -47.16 24.59 40.09 -49.13 23.58 40.14 -48.41 25.86 40.85 -48.72 26.66 40.03 -47.74 2 0 10.69-999 ?-999 ?-999 ? O9 UNL D 501 mPHE^D 64 24.64 39.47 -50.31 25.45 39.69 -50.84 24.28 37.22 -50.91 25.50 37.15 -50.89 23.60 38.56 -50.76 22.94 39.06 -52.05 3 0 11.22-999 ?-999 ?-999 ? NI NI D 500 mARG^D 65 23.51 36.15 -51.07 22.53 36.36 -51.08 24.93 34.54 -52.44 25.76 33.63 -52.42 24.08 34.81 -51.19 22.99 33.75 -51.09 2 0 13.73-999 ?-999 ?-999 ? NI NI D 500 mASP^D 66 24.72 35.34 -53.49 24.03 36.03 -53.31 26.37 36.40 -55.09 27.24 36.25 -55.94 25.44 35.22 -54.76 24.42 35.01 -55.90 2 0 16.52-999 ?-999 ?-999 ? NI NI D 500 mGLN^D 67 26.22 37.53 -54.40 25.54 37.46 -53.67 26.85 39.78 -53.56 26.11 39.57 -52.60 26.98 38.75 -54.69 26.45 39.37 -56.00 2 0 16.02-999 ?-999 ?-999 ? NI NI D 500 mASN^D 68 27.59 40.88 -53.69 28.17 40.87 -54.50 27.32 43.32 -53.46 27.69 43.47 -54.63 27.55 42.00 -52.74 28.88 42.10 -51.97 2 0 14.31-999 ?-999 ?-999 ? O9 UNL D 501 mILE^D 69 26.68 44.25 -52.76 26.33 43.92 -51.88 27.08 46.56 -52.15 27.25 46.16 -51.01 26.49 45.62 -53.22 25.02 45.97 -53.55 3 0 13.86-999 ?-999 ?-999 ? O9 UNL D 501 mTHR^D 70 27.42 47.78 -52.58 27.28 47.90 -53.56 27.08 50.10 -51.93 26.81 50.46 -53.07 27.94 48.85 -51.72 29.41 49.16 -52.06 2 0 14.18-999 ?-999 ?-999 ? O1 GOL E 502 mLEU^D 71 26.64 50.72 -50.84 26.88 50.23 -49.99 26.68 53.06 -50.13 27.20 52.83 -49.04 25.88 51.97 -50.85 24.53 51.83 -50.15 3 0 10.34-999 ?-999 ?-999 ? O1 GOL E 502 mGLN^D 72 26.79 54.22 -50.77 26.38 54.21 -51.68 26.31 56.35 -49.74 25.14 56.10 -50.03 27.43 55.40 -50.20 28.26 56.12 -51.26 2 0 8.62-999 ?-999 ?-999 ? O1 GOL E 502 mALA^D 73 26.70 57.44 -49.08 27.68 57.48 -48.89 25.04 59.00 -49.90 25.65 59.16 -50.96 25.77 58.49 -48.66 26.51 59.65 -47.96 2 0 5.38-999 ?-999 ?-999 ? O1 GOL E 502 mGLY^D 74 23.75 59.22 -49.79 23.38 59.04 -48.87 22.60 58.57 -51.92 22.31 58.86 -53.09 22.96 59.67 -50.93-999.99-999.99-999.99 1 0 -3.53-999 ?-999 ?-999 ? O1 GOL E 502s mGLU^D 75 22.60 57.31 -51.45 22.90 57.23 -50.50 21.24 55.27 -51.49 21.27 55.23 -50.26 22.20 56.16 -52.26 23.40 55.34 -52.74 2 0 6.15-999 ?-999 ?-999 ? O1 GOL E 502 mMETD 76 20.39 54.58 -52.24 20.49 54.75 -53.22 19.30 52.37 -52.50 19.69 52.30 -53.70 19.40 53.66 -51.69 18.00 54.30 -51.61 2 0 7.91-999 ?-999 ?-999 ? O1 GOL E 502 mTYR^D 77 18.69 51.38 -51.86 18.41 51.63 -50.93 17.19 49.46 -51.84 16.98 49.60 -50.64 18.45 50.06 -52.44 19.66 49.14 -52.18 3 0 11.56-999 ?-999 ?-999 ? NI NI D 500 mVAL^D 78 16.40 48.77 -52.66 16.70 48.78 -53.61 15.50 46.58 -52.14 15.83 45.99 -53.15 15.19 48.08 -52.21 14.00 48.28 -53.19 3 0 10.26-999 ?-999 ?-999 ? NI NI D 500 mILE^D 79 15.42 45.98 -50.95 15.19 46.59 -50.19 14.31 43.87 -51.15 13.36 44.08 -50.42 15.65 44.53 -50.80 16.03 44.11 -49.35 3 0 7.68-999 ?-999 ?-999 ? NI NI D 500 mPRO^D 80 14.22 43.12 -52.28 15.03 43.03 -52.85 12.52 41.47 -51.48 13.41 40.85 -50.85 12.90 42.50 -52.55 13.08 41.86 -53.92 3 0 10.01-999 ?-999 ?-999 ? NI NI D 500 mLYS^D 81 11.22 41.32 -51.22 10.62 41.89 -51.77 11.27 38.96 -50.43 11.42 38.53 -51.58 10.75 40.37 -50.19 9.22 40.34 -50.07 2 0 9.52-999 ?-999 ?-999 ? NI NI D 500 mGLY^D 82 11.60 38.27 -49.33 11.47 38.76 -48.47 13.56 36.76 -49.77 14.02 35.64 -49.80 12.10 36.92 -49.39-999.99-999.99-999.99 1 0 9.89-999 ?-999 ?-999 ? NI NI D 500 mVAL^D 83 14.28 37.85 -50.03 13.79 38.71 -49.91 16.55 37.88 -49.19 16.42 38.85 -48.43 15.68 37.78 -50.46 15.99 38.88 -51.52 3 0 9.06-999 ?-999 ?-999 ? NI NI D 500 mGLU^D 84 17.33 36.83 -48.93 17.20 36.06 -49.55 19.39 37.85 -48.02 19.96 37.94 -49.11 18.30 36.83 -47.82 19.00 35.48 -47.64 2 0 8.02-999 ?-999 ?-999 ? NI NI D 500 mHIS^D 85 19.74 38.53 -46.94 19.24 38.27 -46.11 21.40 39.78 -45.62 20.83 39.42 -44.58 20.75 39.56 -46.98 20.13 40.86 -47.49 3 0 -6.62-999 ?-999 ?-999 ? NI NI D 500s mLYS^D 86 22.60 40.35 -45.64 22.92 40.57 -46.56 24.07 42.00 -44.56 25.09 42.12 -45.25 23.38 40.63 -44.42 24.40 39.52 -44.17 2 0 6.82-999 ?-999 ?-999 ? O9 UNL D 501 mPRO^D 87 23.47 43.06 -43.97 22.58 42.89 -43.55 25.42 44.33 -43.15 25.50 43.61 -42.16 24.14 44.35 -43.99 23.11 45.31 -43.38 3 0 6.27-999 ?-999 ?-999 ? O5 UNL D 501 mMETD 88 26.41 45.10 -43.60 26.16 45.60 -44.43 28.29 46.60 -43.17 28.03 47.22 -44.21 27.73 45.20 -42.96 28.73 44.24 -43.59 2 0 8.75-999 ?-999 ?-999 ? O4 UNL D 501 mALA^D 89 29.10 47.07 -42.22 29.21 46.44 -41.44 31.16 48.27 -41.66 31.27 47.85 -40.53 29.77 48.37 -42.30 28.93 49.43 -41.63 2 0 10.38-999 ?-999 ?-999 ? O4 UNL D 501 mLYS^D 90 32.20 48.63 -42.40 31.96 48.92 -43.33 33.76 49.67 -40.78 34.45 49.42 -39.79 33.58 48.61 -41.89 34.59 48.81 -43.04 2 0 13.99-999 ?-999 ?-999 ? O4 UNL D 501 mGLU^D 91 33.15 50.84 -40.97 32.68 50.90 -41.86 31.72 52.27 -39.68 30.82 51.78 -40.38 33.17 51.94 -39.99 33.87 53.16 -40.59 2 0 14.06-999 ?-999 ?-999 ? O1 GOL D 502 mGLU^D 92 31.48 53.11 -38.67 32.30 53.44 -38.20 29.40 54.06 -39.54 29.97 54.87 -40.30 30.11 53.50 -38.31 30.02 54.50 -37.14 2 0 11.39-999 ?-999 ?-999 ? O1 GOL D 502 mCYH^D 93 28.17 53.61 -39.74 27.85 52.96 -39.06 25.97 54.45 -40.38 25.38 53.75 -39.56 27.36 54.04 -40.88 27.28 52.90 -41.87 2 0 9.45-999 ?-999 ?-999 ? O1 GOL D 502 mLYS^D 94 25.47 55.58 -40.87 26.07 56.03 -41.53 23.20 55.81 -41.61 23.41 56.27 -42.75 24.16 56.12 -40.49 24.25 57.63 -40.23 2 0 6.77-999 ?-999 ?-999 ? O2 GOL D 502 mILE^D 95 22.16 55.04 -41.29 22.12 54.77 -40.32 19.74 54.90 -41.84 19.45 55.16 -40.67 21.16 54.61 -42.26 21.29 53.09 -42.59 3 0 8.07-999 ?-999 ?-999 ? O2 GOL D 502 mMETD 96 18.87 54.85 -42.85 19.29 54.74 -43.75 16.82 53.74 -43.36 17.18 53.41 -44.49 17.45 54.96 -42.68 16.86 56.26 -43.24 2 0 8.66-999 ?-999 ?-999 ? O1 GOL E 502 mILE^D 97 15.92 53.08 -42.64 15.81 53.46 -41.72 13.70 52.31 -43.17 13.21 52.97 -42.25 15.17 51.93 -43.13 15.33 50.69 -42.25 3 0 7.64-999 ?-999 ?-999 ? O5 UNL D 501 mILE^D 98 13.02 51.91 -44.26 13.57 51.42 -44.93 10.95 50.83 -44.74 11.39 50.10 -45.65 11.60 52.17 -44.43 11.30 53.19 -45.56 3 0 9.94-999 ?-999 ?-999 ? O8 UNL D 501 mGLU^D 99 9.92 50.50 -43.97 9.70 51.19 -43.29 7.90 49.29 -43.30 7.78 50.14 -42.40 9.20 49.24 -44.12 10.09 48.07 -43.66 2 0 9.31-999 ?-999 ?-999 ? O8 UNL D 501 mPRO^D 100 6.95 48.35 -43.57 7.18 47.70 -44.30 5.92 48.14 -41.33 6.95 47.58 -40.94 5.70 48.33 -42.82 4.97 47.09 -43.37 3 0 11.56-999 ?-999 ?-999 ? O8 UNL D 501 mARG^D 101 4.98 48.64 -40.54 4.26 49.14 -41.03 4.74 47.00 -38.79 3.91 46.34 -39.44 5.00 48.48 -39.09 3.95 49.36 -38.40 2 0 12.28-999 ?-999 ?-999 ? O8 UNL D 501 mGLY^E 0 24.16 42.60 -62.72 24.01 42.67 -63.71 23.44 43.42 -60.48 22.92 44.40 -61.03 24.37 42.51 -61.25-999.99-999.99-999.99 1 0 19.56-999 ?-999 ?-999 ? NI NI D 500 mMETE 1 23.24 43.09 -59.19 23.73 42.26 -58.92 22.85 45.30 -58.04 22.02 46.17 -57.79 22.37 43.86 -58.28 22.24 43.15 -56.93 2 0 16.05-999 ?-999 ?-999 ? NI NI D 500 mGLN^E 2 24.17 45.53 -58.12 24.71 44.70 -58.28 24.11 47.88 -58.93 23.94 49.03 -58.56 24.76 46.87 -57.98 26.29 46.84 -58.20 2 0 17.17-999 ?-999 ?-999 ? NI NI D 500 mTHR^E 3 23.72 47.42 -60.14 23.94 46.46 -60.30 21.71 48.88 -60.58 21.29 49.93 -61.07 23.02 48.29 -61.12 22.73 47.57 -62.49 2 0 17.96-999 ?-999 ?-999 ? O1 GOL E 502 mLYS^E 4 21.08 48.21 -59.59 21.53 47.35 -59.34 20.11 49.53 -57.67 19.15 49.89 -56.98 19.85 48.68 -58.92 18.87 47.52 -58.68 2 0 16.04-999 ?-999 ?-999 ? O1 GOL E 502 mVAL^E 5 21.39 49.87 -57.40 22.06 49.39 -57.95 21.42 52.21 -56.99 21.92 52.52 -58.06 21.74 50.86 -56.36 23.23 50.80 -55.91 3 0 12.72-999 ?-999 ?-999 ? O1 GOL E 502 mILE^E 6 20.55 52.98 -56.35 20.24 52.57 -55.49 20.83 55.44 -56.16 20.78 55.55 -54.93 20.09 54.28 -56.84 18.56 54.49 -56.60 3 0 10.69-999 ?-999 ?-999 ? O1 GOL E 502 mASN^E 7 21.51 56.27 -56.95 21.49 56.00 -57.91 21.33 58.66 -56.79 21.05 58.94 -57.97 22.22 57.46 -56.48 23.60 57.58 -57.15 2 0 8.91-999 ?-999 ?-999 ? O1 GOL E 502 mPHE^E 8 20.88 59.37 -55.74 21.23 59.06 -54.86 20.48 61.59 -56.83 19.75 62.01 -57.73 19.94 60.50 -55.91 19.50 61.10 -54.56 3 0 7.46-999 ?-999 ?-999 ? C1 GOL E 502 mASN^E 9 21.74 61.99 -56.64 22.20 61.53 -55.88 22.41 62.60 -58.97 22.14 63.41 -59.85 22.36 63.01 -57.49 23.78 63.40 -57.01 2 0 9.39-999 ?-999 ?-999 ? C1 GOL E 502 mASP^E 10 22.75 61.33 -59.24 22.97 60.77 -58.43 21.37 60.91 -61.21 21.23 61.37 -62.33 22.78 60.83 -60.61 23.41 59.43 -60.69 2 0 12.43-999 ?-999 ?-999 ? C1 GOL E 502 mLYS^E 11 20.34 60.51 -60.45 20.61 60.18 -59.54 18.45 62.00 -61.17 17.80 62.25 -62.20 18.95 60.58 -60.94 17.99 59.77 -60.08 2 0 12.49-999 ?-999 ?-999 ? C1 GOL E 502 mPHE^E 12 18.78 62.92 -60.26 19.26 62.56 -59.46 19.09 64.94 -61.70 18.49 65.80 -62.35 18.43 64.34 -60.45 18.80 65.21 -59.25 3 0 12.30-999 ?-999 ?-999 ? C1 GOL E 502 mSER^E 13 20.30 64.48 -62.04 20.66 63.78 -61.43 20.28 64.67 -64.58 20.54 65.32 -65.57 20.98 65.00 -63.25 22.43 64.51 -63.33 2 0 15.13-999 ?-999 ?-999 ? C1 GOL E 502 mLEU^E 14 19.40 63.67 -64.59 19.26 63.24 -63.70 17.55 64.10 -66.29 17.15 63.96 -67.44 18.71 63.23 -65.81 18.25 61.77 -65.66 3 0 16.56-999 ?-999 ?-999 ? O3 UNL E 501 mPHE^E 15 17.03 64.99 -65.44 17.45 64.97 -64.54 16.07 67.28 -65.21 16.64 67.43 -64.13 15.92 65.89 -65.83 14.57 65.32 -65.42 3 0 13.75-999 ?-999 ?-999 ? O3 UNL E 501 mASN^E 16 15.57 68.29 -65.93 15.22 67.99 -66.82 14.10 70.22 -65.30 13.93 71.29 -64.71 15.52 69.67 -65.47 16.32 70.55 -66.43 2 0 13.21-999 ?-999 ?-999 ? O3 UNL E 501 mGLN^E 17 13.10 69.49 -65.79 13.37 68.63 -66.20 11.23 69.99 -64.27 11.57 69.12 -63.47 11.72 69.94 -65.71 10.81 69.01 -66.50 2 0 10.72-999 ?-999 ?-999 ? O3 UNL E 501 mHIS^E 18 10.41 71.00 -63.99 10.24 71.62 -64.76 8.44 70.60 -62.55 7.70 70.43 -63.54 9.83 71.19 -62.69 9.78 72.68 -62.29 3 0 7.76-999 ?-999 ?-999 ? O3 UNL E 501 mTRP^E 19 8.09 70.31 -61.29 8.83 70.50 -60.64 6.36 68.51 -61.66 5.17 68.30 -61.91 6.78 69.78 -60.89 5.71 70.86 -61.05 3 0 -4.22-999 ?-999 ?-999 ? O3 UNL E 501s mSER^E 20 7.35 67.70 -62.05 8.25 67.99 -61.73 7.90 65.35 -62.19 9.08 65.12 -62.46 7.16 66.51 -62.88 7.67 66.76 -64.30 2 0 5.86-999 ?-999 ?-999 ? O3 UNL E 501 mPRO^E 21 7.22 64.65 -61.26 6.26 64.90 -61.13 8.43 62.41 -61.36 7.76 62.00 -62.29 7.90 63.58 -60.50 6.84 63.11 -59.50 3 0 5.86-999 ?-999 ?-999 ? O3 UNL E 501 mARG^E 22 9.64 61.94 -61.04 10.06 62.46 -60.30 10.32 59.65 -60.71 10.99 59.76 -59.68 10.29 60.80 -61.70 11.76 61.11 -62.12 2 0 9.65-999 ?-999 ?-999 ? O3 UNL E 501 mVAL^E 23 9.62 58.56 -61.01 9.09 58.62 -61.86 11.06 56.75 -60.24 11.51 56.40 -61.33 9.67 57.37 -60.15 8.63 56.28 -60.55 3 0 11.53-999 ?-999 ?-999 ? O2 UNL E 501 mILE^E 24 11.75 56.63 -59.10 11.26 57.00 -58.31 13.15 54.64 -58.40 14.13 53.91 -58.56 13.10 56.01 -59.06 14.16 56.94 -58.41 3 0 13.73-999 ?-999 ?-999 ? C1 GOL E 502 mALA^E 25 12.11 54.29 -57.65 11.37 54.96 -57.61 10.66 52.71 -56.49 9.81 53.62 -56.33 12.07 53.03 -56.94 13.04 53.08 -55.72 2 0 14.35-999 ?-999 ?-999 ? C1 GOL E 502 mGLU^E 26 10.43 51.42 -56.29 11.19 50.83 -56.57 9.48 49.99 -54.53 10.43 49.21 -54.56 9.20 50.89 -55.73 8.44 50.08 -56.78 2 0 16.40-999 ?-999 ?-999 ? NI NI D 500 mMETE 27 8.65 50.14 -53.50 7.98 50.87 -53.64 7.23 48.86 -52.09 6.34 49.66 -51.75 8.67 49.35 -52.28 9.09 50.22 -51.11 2 0 13.49-999 ?-999 ?-999 ? NI NI D 500 mASN^E 28 7.01 47.57 -52.27 7.84 47.04 -52.44 4.80 47.79 -53.20 5.20 47.94 -54.37 5.67 46.99 -52.21 5.14 46.93 -50.77 2 0 14.64-999 ?-999 ?-999 ? NI NI D 500 mASP^E 29 3.71 48.40 -52.73 3.58 48.28 -51.75 3.01 50.71 -53.43 2.08 51.49 -53.69 2.79 49.18 -53.58 1.34 48.78 -53.27 2 0 17.22-999 ?-999 ?-999 ? O8 UNL E 501 mTYR^E 30 4.22 51.11 -53.04 4.85 50.35 -52.86 5.71 52.86 -53.90 6.47 51.99 -54.38 4.63 52.51 -52.88 5.17 52.76 -51.48 3 0 14.25-999 ?-999 ?-999 ? O8 UNL E 501 mGLN^E 31 5.79 54.15 -54.19 5.10 54.71 -53.72 7.59 55.82 -54.44 7.05 56.59 -53.65 6.78 54.72 -55.10 6.11 55.30 -56.30 2 0 12.79-999 ?-999 ?-999 ? O8 UNL E 501 mPHE^E 32 8.87 55.89 -54.83 9.11 55.14 -55.45 9.99 57.76 -55.68 10.32 57.22 -56.76 9.83 56.91 -54.43 11.16 56.28 -54.03 3 0 12.22-999 ?-999 ?-999 ? O2 UNL E 501 mLYS^E 33 9.72 59.05 -55.56 9.53 59.35 -54.62 10.59 61.16 -56.47 10.45 61.80 -55.44 9.71 59.95 -56.70 8.29 60.43 -56.97 2 0 9.14-999 ?-999 ?-999 ? O3 UNL E 501 mLEU^E 34 11.42 61.50 -57.45 11.41 60.88 -58.23 11.56 63.83 -58.08 10.93 63.62 -59.12 12.26 62.69 -57.36 13.66 62.44 -57.92 3 0 8.78-999 ?-999 ?-999 ? O3 UNL E 501 mVAL^E 35 11.62 65.03 -57.50 12.11 65.05 -56.63 11.89 67.45 -57.95 12.57 67.60 -56.92 10.99 66.22 -58.12 9.58 66.57 -57.49 3 0 6.11-999 ?-999 ?-999 ? O3 UNL E 501 mLYS^E 36 11.93 68.30 -58.98 11.45 67.95 -59.79 11.42 70.57 -58.90 10.51 70.45 -59.72 12.59 69.61 -58.93 13.52 69.84 -60.13 2 0 7.77-999 ?-999 ?-999 ? O4 UNL E 501 mVAL^E 37 11.42 71.50 -57.95 12.23 71.48 -57.36 10.82 73.88 -57.60 11.93 74.09 -57.10 10.32 72.45 -57.79 9.38 72.03 -56.63 3 0 6.59-999 ?-999 ?-999 ? O4 UNL E 501 mGLU^E 38 10.00 74.84 -58.02 9.16 74.49 -58.44 9.02 77.06 -58.07 8.19 76.70 -58.89 10.31 76.27 -57.87 11.39 76.74 -58.86 2 0 9.47-999 ?-999 ?-999 ? O4 UNL E 501 mGLY^E 39 8.87 78.15 -57.33 9.66 78.39 -56.76 6.58 78.16 -56.53 6.95 77.41 -55.63 7.61 78.91 -57.37-999.99-999.99-999.99 1 0 10.85-999 ?-999 ?-999 ? O4 UNL E 501 mGLU^E 40 5.30 78.33 -56.85 5.17 78.86 -57.69 3.43 76.70 -56.75 3.24 76.74 -57.97 4.21 77.80 -56.05 3.24 78.93 -55.70 2 0 9.53-999 ?-999 ?-999 ? O4 UNL E 501 mPHE^E 41 2.98 75.72 -55.96 3.27 75.79 -55.01 0.68 75.18 -56.24 0.46 76.39 -56.21 2.13 74.65 -56.46 2.45 73.34 -55.73 3 0 6.99-999 ?-999 ?-999 ? O5 UNL E 501 mVAL^E 42 -0.29 74.28 -56.12 0.03 73.33 -56.24 -2.08 74.00 -54.53 -1.41 73.10 -53.99 -1.67 74.61 -55.86 -2.61 74.09 -56.99 3 0 8.03-999 ?-999 ?-999 ? O9 UNL E 501 mTRP^E 43 -3.16 74.54 -53.99 -3.49 75.35 -54.47 -4.46 72.68 -53.20 -5.21 72.64 -54.17 -3.79 73.99 -52.80 -4.85 74.94 -52.25 3 0 8.45-999 ?-999 ?-999 ? NI NI E 500 mHIS^E 44 -4.16 71.62 -52.47 -3.50 71.81 -51.74 -4.57 69.40 -51.49 -3.87 69.77 -50.53 -4.75 70.31 -52.70 -4.04 69.67 -53.90 3 0 6.45-999 ?-999 ?-999 ? NI NI E 500s mGLU^E 45 -5.16 68.21 -51.56 -5.69 68.10 -52.40 -5.00 65.79 -51.12 -5.36 65.61 -52.29 -5.04 67.18 -50.51 -6.22 67.22 -49.52 2 0 5.90-999 ?-999 ?-999 ? NI NI E 500 mHIS^E 46 -4.60 64.82 -50.30 -4.27 65.17 -49.42 -5.57 62.83 -49.59 -5.21 62.69 -48.41 -4.61 63.39 -50.62 -3.23 62.78 -50.52 3 0 6.45-999 ?-999 ?-999 ? NI NI E 500s mALA^E 47 -6.80 62.59 -50.02 -6.92 62.74 -51.00 -7.65 60.78 -48.47 -8.10 60.58 -47.35 -7.87 62.14 -49.12 -9.22 62.18 -49.83 2 0 10.15-999 ?-999 ?-999 ? NI NI E 500 mASP^E 48 -6.93 59.88 -49.13 -6.51 60.21 -49.97 -5.36 58.09 -48.21 -5.16 56.94 -47.84 -6.78 58.51 -48.62 -7.39 57.54 -49.64 2 0 11.67-999 ?-999 ?-999 ? NI NI E 500 mTHR^E 49 -4.38 59.00 -48.22 -4.66 59.92 -48.51 -2.24 59.79 -47.24 -2.45 60.95 -47.62 -3.03 58.63 -47.83 -2.20 58.06 -49.04 2 0 9.93-999 ?-999 ?-999 ? NI NI E 500 mASP^E 50 -1.34 59.44 -46.32 -1.42 58.50 -45.99 0.64 60.47 -47.01 0.74 59.55 -47.83 -0.34 60.36 -45.84 0.44 59.79 -44.66 2 0 9.03-999 ?-999 ?-999 ? NI NI E 500 mGLU^E 51 1.36 61.59 -47.06 1.13 62.23 -46.33 3.63 62.38 -47.38 3.55 63.22 -46.49 2.37 61.86 -48.06 1.87 62.91 -49.05 2 0 6.60-999 ?-999 ?-999 ? NI NI E 500s mVAL^E 52 4.78 61.89 -47.81 4.68 61.24 -48.57 6.85 63.15 -48.19 6.95 62.85 -49.38 6.07 62.26 -47.24 6.89 60.98 -46.87 3 0 8.57-999 ?-999 ?-999 ? NI NI E 500 mPHE^E 53 7.41 64.23 -47.64 7.13 64.38 -46.69 9.68 65.03 -47.64 9.74 65.19 -46.41 8.33 65.13 -48.33 7.86 66.58 -48.23 3 0 -8.37-999 ?-999 ?-999 ? O9 UNL E 501s mILE^E 54 10.74 64.73 -48.40 10.48 64.49 -49.34 12.85 65.77 -48.81 12.80 65.66 -50.04 12.13 64.74 -47.93 12.85 63.36 -48.06 3 0 6.28-999 ?-999 ?-999 ? C3 GOL E 502 mVAL^E 55 13.47 66.79 -48.20 13.36 66.82 -47.21 15.68 67.29 -49.13 16.37 67.05 -48.13 14.22 67.78 -48.97 14.12 69.19 -48.39 3 0 5.74-999 ?-999 ?-999 ? O3 GOL E 502 mMETE 56 16.12 67.17 -50.38 15.44 67.43 -51.06 18.39 67.88 -50.87 19.53 67.81 -50.46 17.47 66.70 -50.72 17.47 65.92 -52.04 2 0 4.29-999 ?-999 ?-999 ? O3 GOL E 502 mGLU^E 57 17.92 68.96 -51.49 16.98 68.86 -51.83 17.81 71.39 -51.81 16.75 71.30 -52.44 18.73 70.17 -51.66 19.64 70.02 -52.89 2 0 7.19-999 ?-999 ?-999 ? O3 GOL E 502 mGLY^E 58 18.23 72.51 -51.22 19.11 72.41 -50.76 16.58 73.94 -50.04 16.79 73.29 -49.03 17.47 73.77 -51.26-999.99-999.99-999.99 1 0 10.15-999 ?-999 ?-999 ? O3 GOL E 502 mTHR^E 59 15.57 74.80 -50.17 15.50 75.20 -51.08 13.22 75.12 -49.58 12.88 75.86 -50.49 14.66 75.13 -49.06 14.99 76.50 -48.46 2 0 11.45-999 ?-999 ?-999 ? O3 GOL E 502 mLEU^E 60 12.39 74.26 -49.00 12.82 73.73 -48.27 10.14 74.71 -48.30 10.47 74.58 -47.11 10.99 74.12 -49.39 10.64 72.63 -49.47 3 0 10.55-999 ?-999 ?-999 ? O5 UNL E 501 mGLN^E 61 9.03 75.32 -48.69 8.97 75.46 -49.68 6.75 74.98 -48.12 6.53 74.65 -49.30 8.01 75.73 -47.76 7.74 77.21 -47.83 2 0 11.00-999 ?-999 ?-999 ? O9 UNL E 501 mILE^E 62 5.94 74.69 -47.10 6.31 74.92 -46.20 3.64 74.96 -46.55 3.80 75.16 -45.35 4.62 74.10 -47.32 4.51 72.61 -46.90 3 0 8.79-999 ?-999 ?-999 ? O9 UNL E 501 mALA^E 63 2.68 75.52 -47.27 2.75 75.32 -48.25 0.49 75.45 -46.25 0.10 74.53 -46.98 1.63 76.34 -46.71 1.10 77.34 -47.76 2 0 10.58-999 ?-999 ?-999 ? O9 UNL E 501 mPHE^E 64 0.01 75.71 -45.04 0.57 76.36 -44.53 -2.19 76.27 -44.22 -1.83 77.44 -44.36 -1.22 75.13 -44.49 -0.93 74.31 -43.23 3 0 11.37-999 ?-999 ?-999 ? NI NI E 500 mARG^E 65 -3.42 75.91 -43.85 -3.52 74.92 -43.76 -4.11 78.01 -42.66 -4.44 79.16 -42.92 -4.51 76.85 -43.59 -5.71 76.09 -42.99 2 0 14.08-999 ?-999 ?-999 ? NI NI E 500 mASP^E 66 -3.41 77.69 -41.58 -3.18 76.72 -41.50 -1.54 78.98 -40.39 -1.19 79.87 -39.64 -3.03 78.73 -40.60 -3.77 78.46 -39.27 2 0 16.91-999 ?-999 ?-999 ? NI NI E 500 mGLN^E 67 -0.68 78.26 -41.10 -1.12 77.64 -41.75 1.54 77.83 -42.11 1.01 77.04 -42.88 0.76 78.40 -40.93 1.19 77.70 -39.63 2 0 16.03-999 ?-999 ?-999 ? NI NI E 500 mASN^E 68 2.78 78.31 -42.26 3.00 79.05 -41.62 4.82 77.09 -42.47 5.18 77.55 -41.39 3.72 77.81 -43.25 4.39 78.94 -44.04 2 0 14.05-999 ?-999 ?-999 ? O9 UNL E 501 mILE^E 69 5.30 75.97 -43.00 4.80 75.65 -43.81 7.58 75.42 -43.45 7.32 75.62 -44.63 6.45 75.28 -42.43 6.18 73.79 -42.04 3 0 13.68-999 ?-999 ?-999 ? O9 UNL E 501 mTHR^E 70 8.82 75.35 -42.97 8.85 75.23 -41.98 10.84 74.14 -43.60 11.05 73.71 -42.46 10.03 75.43 -43.80 10.87 76.67 -43.42 2 0 14.27-999 ?-999 ?-999 ? O9 UNL E 501 mLEU^E 71 11.25 73.52 -44.72 10.93 73.97 -45.55 13.39 72.60 -45.44 13.37 73.10 -46.55 12.08 72.32 -44.71 11.38 71.15 -45.42 3 0 10.45-999 ?-999 ?-999 ? O3 GOL E 502 mGLN^E 72 14.50 72.25 -44.81 14.33 71.87 -43.90 16.33 71.02 -45.81 15.70 70.00 -45.49 15.84 72.39 -45.38 16.83 72.93 -44.33 2 0 8.52-999 ?-999 ?-999 ? O3 GOL E 502 mALA^E 73 17.47 71.00 -46.51 17.83 71.92 -46.70 18.36 68.88 -45.71 18.79 69.39 -44.68 18.13 69.76 -46.94 19.45 70.05 -47.64 2 0 5.25-999 ?-999 ?-999 ? O3 GOL E 502 mGLY^E 74 18.04 67.60 -45.81 17.71 67.32 -46.71 17.05 66.77 -43.65 17.25 66.47 -42.46 18.18 66.68 -44.66-999.99-999.99-999.99 1 0 3.34-999 ?-999 ?-999 ? O3 GOL E 502s mGLU^E 75 15.87 67.19 -44.12 15.88 67.43 -45.09 13.51 66.70 -44.03 13.49 66.70 -45.26 14.68 67.29 -43.29 14.37 68.73 -42.84 2 0 6.19-999 ?-999 ?-999 ? O3 GOL E 502 mMETE 76 12.55 66.17 -43.27 12.75 66.20 -42.29 10.09 65.97 -43.05 10.17 66.42 -41.89 11.33 65.58 -43.83 11.41 64.04 -43.93 2 0 8.09-999 ?-999 ?-999 ? O3 GOL E 502 mTYR^E 77 8.95 65.73 -43.68 9.06 65.34 -44.59 6.63 65.03 -43.64 6.69 64.69 -44.81 7.66 66.01 -43.11 7.23 67.44 -43.49 3 0 11.38-999 ?-999 ?-999 ? NI NI E 500 mVAL^E 78 5.69 64.60 -42.78 5.83 64.92 -41.84 3.31 64.61 -43.24 2.90 65.14 -42.22 4.57 63.75 -43.19 4.31 62.56 -42.25 3 0 10.16-999 ?-999 ?-999 ? NI NI E 500 mILE^E 79 2.72 64.75 -44.42 3.22 64.32 -45.18 0.38 64.46 -44.26 0.22 63.51 -45.03 1.47 65.48 -44.60 1.25 65.95 -46.08 3 0 7.61-999 ?-999 ?-999 ? NI NI E 500 mPRO^E 80 -0.37 64.63 -43.12 -0.17 65.42 -42.54 -2.52 63.63 -43.90 -2.79 64.70 -44.47 -1.40 63.62 -42.84 -1.94 64.00 -41.45 3 0 9.96-999 ?-999 ?-999 ? NI NI E 500 mLYS^E 81 -3.15 62.48 -44.14 -2.82 61.71 -43.59 -5.34 63.35 -44.85 -5.67 63.62 -43.70 -4.22 62.35 -45.13 -4.78 60.92 -45.22 2 0 9.57-999 ?-999 ?-999 ? NI NI E 500 mGLY^E 82 -5.88 63.94 -45.91 -5.48 63.65 -46.78 -6.53 66.35 -45.52 -7.37 67.23 -45.59 -6.95 64.91 -45.82-999.99-999.99-999.99 1 0 10.00-999 ?-999 ?-999 ? NI NI E 500 mVAL^E 83 -5.25 66.60 -45.22 -4.65 65.80 -45.26 -4.42 68.69 -46.13 -3.56 68.25 -46.92 -4.79 67.93 -44.87 -3.61 67.89 -43.85 3 0 9.06-999 ?-999 ?-999 ? NI NI E 500 mGLU^E 84 -5.11 69.82 -46.33 -5.81 69.99 -45.64 -3.52 71.39 -47.29 -3.24 71.92 -46.24 -4.85 70.71 -47.45 -5.87 71.83 -47.56 2 0 8.14-999 ?-999 ?-999 ? NI NI E 500 mHIS^E 85 -2.76 71.46 -48.37 -3.16 71.03 -49.19 -1.02 72.58 -49.74 -1.57 72.14 -50.76 -1.45 72.10 -48.36 -0.43 71.12 -47.80 3 0 -6.76-999 ?-999 ?-999 ? NI NI E 500s mLYS^E 86 -0.06 73.50 -49.75 0.25 73.75 -48.83 2.02 74.17 -50.85 2.53 75.09 -50.19 0.50 74.07 -50.96 -0.10 75.45 -51.26 2 0 6.66-999 ?-999 ?-999 ? O9 UNL E 501 mPRO^E 87 2.76 73.21 -51.44 2.24 72.45 -51.84 4.70 74.52 -52.29 4.05 74.90 -53.27 4.22 73.33 -51.47 4.66 72.02 -52.12 3 0 -5.84-999 ?-999 ?-999 ? O9 UNL E 501s mMETE 88 5.82 75.11 -51.88 6.21 74.67 -51.07 7.93 76.31 -52.34 8.42 75.82 -51.33 6.42 76.30 -52.52 5.95 77.58 -51.85 2 0 8.76-999 ?-999 ?-999 ? O5 UNL E 501 mALA^E 89 8.64 76.91 -53.29 8.09 77.21 -54.07 10.52 78.42 -53.83 10.16 78.67 -54.99 10.11 77.09 -53.18 10.87 75.92 -53.80 2 0 10.41-999 ?-999 ?-999 ? O4 UNL E 501 mLYS^E 90 11.23 79.27 -53.08 11.39 78.93 -52.15 12.72 80.38 -54.74 12.71 81.15 -55.68 11.73 80.56 -53.58 12.40 81.40 -52.47 2 0 14.03-999 ?-999 ?-999 ? O4 UNL E 501 mGLU^E 91 13.61 79.40 -54.61 13.53 78.94 -53.73 14.41 77.52 -55.89 13.68 76.85 -55.15 14.59 79.02 -55.64 16.02 79.30 -55.15 2 0 14.10-999 ?-999 ?-999 ? O4 UNL E 501 mGLU^E 92 15.09 76.98 -56.90 15.67 77.62 -57.41 15.29 74.71 -55.97 16.23 75.01 -55.22 14.98 75.56 -57.22 15.85 75.11 -58.40 2 0 12.03-999 ?-999 ?-999 ? O4 UNL E 501 mCYH^E 93 14.42 73.73 -55.73 13.68 73.67 -56.40 14.39 71.39 -55.11 13.52 71.12 -55.94 14.53 72.83 -54.59 13.46 73.19 -53.55 2 0 10.32-999 ?-999 ?-999 ? O4 UNL E 501 mLYS^E 94 15.29 70.51 -54.66 15.96 70.91 -54.03 14.69 68.30 -53.91 15.21 68.30 -52.77 15.31 69.11 -55.05 16.74 68.64 -55.33 2 0 9.66-999 ?-999 ?-999 ? O3 GOL E 502 mILE^E 95 13.58 67.62 -54.21 13.31 67.69 -55.17 12.58 65.40 -53.63 12.73 65.03 -54.81 12.84 66.84 -53.22 11.48 67.52 -52.87 3 0 8.18-999 ?-999 ?-999 ? O4 UNL E 501 mMETE 96 12.20 64.60 -52.64 12.23 65.03 -51.74 10.43 63.07 -52.18 10.27 63.46 -51.01 11.78 63.23 -52.88 12.79 62.19 -52.38 2 0 8.39-999 ?-999 ?-999 ? C3 GOL E 502 mILE^E 97 9.49 62.50 -52.93 9.78 62.30 -53.86 7.99 60.69 -52.37 8.49 59.97 -53.23 8.16 62.21 -52.45 7.08 62.85 -53.35 3 0 -7.54-999 ?-999 ?-999 ? O5 UNL E 501s mILE^E 98 7.32 60.24 -51.31 7.04 60.95 -50.67 5.54 58.71 -50.82 5.03 59.38 -49.92 7.03 58.82 -51.09 7.80 58.19 -49.90 3 0 9.86-999 ?-999 ?-999 ? O8 UNL E 501 mGLU^E 99 4.86 57.89 -51.61 5.43 57.42 -52.29 3.00 56.40 -52.21 3.76 55.85 -53.04 3.44 57.69 -51.50 2.72 58.90 -52.12 2 0 9.29-999 ?-999 ?-999 ? O8 UNL E 501 mPRO^E 100 1.78 55.92 -51.92 1.28 56.40 -51.19 1.05 54.97 -54.13 0.77 56.07 -54.56 1.24 54.77 -52.63 -0.15 54.58 -52.01 3 0 11.69-999 ?-999 ?-999 ? O8 UNL E 501 mARG^E 101 1.22 53.88 -54.90 1.64 53.12 -54.41 -0.69 53.89 -56.43 -1.40 53.40 -55.55 0.83 53.82 -56.32 1.23 52.49 -57.01 2 0 12.70-999 ?-999 ?-999 ? O8 UNL E 501