#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwy s PHE 1085N 0.00 2.78 0.03 9.51 0.08 -1.26 -5.10 117.98 124.02 3dwy s PHE 1085Ca 0.00 -0.21 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 3dwy s PHE 1085Cb 0.00 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 3dwy s PHE 1085CO 0.00 0.14 0.97 0.15 -0.10 0.00 0.00 175.22 176.38 3dwy s LYS 1086N -0.51 4.60 0.26 0.44 1.02 -1.26 -4.95 119.74 119.33 3dwy s LYS 1086Ca 0.07 1.42 -0.03 0.00 0.02 0.00 0.00 55.97 57.45 3dwy s LYS 1086Cb -0.12 -3.43 0.39 0.00 -0.52 0.00 0.00 37.83 34.15 3dwy s LYS 1086CO 0.02 0.03 1.86 -1.00 -0.92 0.00 0.00 175.35 175.34 3dwy h PRO 1087N 6.41 1.00 -0.07 -1.68 0.13 -1.96 0.10 132.00 135.94 3dwy h PRO 1087Ca -0.42 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 3dwy h PRO 1087Cb 1.22 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3dwy h PRO 1087CO 0.74 0.66 -0.64 1.05 -0.23 0.00 0.00 178.00 179.59 3dwy h GLU 1088N 1.03 0.26 -0.22 0.86 9.09 -1.96 -1.35 114.58 122.30 3dwy h GLU 1088Ca 0.41 -0.19 -0.20 0.00 0.05 0.00 0.00 59.36 59.43 3dwy h GLU 1088Cb 0.22 0.03 0.01 0.00 -1.65 0.00 0.00 28.75 27.36 3dwy h GLU 1088CO -0.19 0.81 -0.65 0.93 0.05 0.00 0.00 179.01 179.96 3dwy h GLU 1089N 0.19 0.84 -0.30 1.06 5.08 -1.68 -1.09 114.58 118.67 3dwy h GLU 1089Ca -0.01 -0.60 0.02 0.00 -1.00 0.00 0.00 59.36 57.77 3dwy h GLU 1089Cb 1.16 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3dwy h GLU 1089CO 0.10 1.22 0.14 1.25 -1.00 0.00 0.00 179.01 180.72 3dwy h LEU 1090N 0.60 0.21 -0.57 1.33 6.46 -0.95 -0.65 115.31 121.74 3dwy h LEU 1090Ca -0.02 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3dwy h LEU 1090Cb 1.27 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.15 3dwy h LEU 1090CO 0.14 0.16 0.36 -0.09 -0.62 0.00 0.00 178.44 178.39 3dwy h ARG 1091N 0.30 0.71 -0.70 1.25 2.43 -1.22 -1.91 114.38 115.24 3dwy h ARG 1091Ca 0.13 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3dwy h ARG 1091Cb 0.05 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3dwy h ARG 1091CO -0.09 0.47 0.28 0.37 -1.51 0.00 0.00 179.97 179.48 3dwy h GLN 1092N 0.73 1.06 -0.48 0.20 4.15 -0.93 -0.14 115.11 119.70 3dwy h GLN 1092Ca 0.22 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 3dwy h GLN 1092Cb -0.05 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3dwy h GLN 1092CO -0.07 0.88 -0.13 0.00 -1.93 0.00 0.00 178.83 177.58 3dwy h ALA 1093N 1.13 0.86 0.00 3.38 0.00 -0.89 -3.31 119.26 120.43 3dwy h ALA 1093Ca 0.23 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3dwy h ALA 1093Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dwy h ALA 1093CO -0.02 0.64 -1.39 -0.07 0.00 0.00 0.00 179.25 178.42 3dwy h LEU 1094N 0.80 0.00 -0.61 0.00 3.38 -1.21 -3.40 115.31 114.27 3dwy h LEU 1094Ca 0.13 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.20 3dwy h LEU 1094Cb 0.66 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 3dwy h LEU 1094CO 0.05 0.63 0.18 -0.03 0.09 0.00 0.00 178.44 179.36 3dwy h MET 1095N 0.00 0.31 -1.01 1.13 4.05 -1.11 -1.72 114.93 116.59 3dwy h MET 1095Ca -0.17 -0.02 0.22 0.00 -0.28 0.00 0.00 59.70 59.46 3dwy h MET 1095Cb 1.63 -0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 32.25 3dwy h MET 1095CO 0.05 0.21 0.61 -1.35 0.23 0.00 0.00 176.91 176.66 3dwy h PRO 1096N 0.32 0.62 -0.22 0.39 0.11 -1.78 0.37 132.00 131.82 3dwy h PRO 1096Ca 0.32 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.26 3dwy h PRO 1096Cb 0.45 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3dwy h PRO 1096CO -0.37 0.41 -0.42 1.79 -0.21 0.00 0.00 178.00 179.20 3dwy h THR 1097N 0.64 1.30 -0.34 -1.15 1.35 -1.60 -0.57 112.91 112.55 3dwy h THR 1097Ca 0.61 -1.60 -0.12 0.00 -0.55 0.00 0.00 66.41 64.76 3dwy h THR 1097Cb 1.11 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 3dwy h THR 1097CO -0.42 0.50 -0.24 0.25 -0.25 0.00 0.00 175.52 175.36 3dwy h LEU 1098N 0.43 0.79 -0.96 3.87 5.85 -0.76 -2.98 115.31 121.55 3dwy h LEU 1098Ca 0.03 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3dwy h LEU 1098Cb 0.92 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3dwy h LEU 1098CO 0.08 1.06 0.63 -0.33 -0.34 0.00 0.00 178.44 179.54 3dwy h GLU 1099N 0.53 1.18 -0.60 1.25 5.08 -0.24 -1.58 114.58 120.19 3dwy h GLU 1099Ca 0.06 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3dwy h GLU 1099Cb 0.80 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3dwy h GLU 1099CO 0.06 0.78 0.34 0.00 -1.00 0.00 0.00 179.01 179.19 3dwy h ALA 1100N 1.40 0.78 0.41 3.43 0.00 -1.06 -0.99 119.26 123.23 3dwy h ALA 1100Ca 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3dwy h ALA 1100Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dwy h ALA 1100CO -0.12 0.03 -0.27 -0.07 0.00 0.00 0.00 179.25 178.82 3dwy h LEU 1101N 0.65 -0.68 -1.77 0.00 3.38 -1.25 -3.11 115.31 112.52 3dwy h LEU 1101Ca 0.26 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.45 3dwy h LEU 1101Cb 0.11 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3dwy h LEU 1101CO -0.14 -0.42 0.51 1.88 0.09 0.00 0.00 178.44 180.35 3dwy h TYR 1102N -0.66 0.26 0.00 1.13 -1.99 -0.93 -2.03 116.97 112.76 3dwy h TYR 1102Ca -0.04 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3dwy h TYR 1102Cb 0.55 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.20 3dwy h TYR 1102CO -0.11 0.09 0.00 0.54 -0.00 0.00 0.00 178.16 178.68 3dwy n ARG 1103N -4.42 0.05 -2.43 4.88 5.12 -0.41 -4.70 116.66 114.76 3dwy n ARG 1103Ca 0.14 0.09 -0.43 0.00 -1.93 0.00 0.00 57.85 55.73 3dwy n ARG 1103Cb 0.66 -1.57 -0.02 0.00 -1.16 0.00 0.00 32.46 30.37 3dwy n ARG 1103CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3dwy s GLN 1104N -3.03 3.76 -0.17 5.56 -1.52 -0.76 -4.97 119.66 118.53 3dwy s GLN 1104Ca 0.12 1.02 0.01 0.00 -1.95 0.00 0.00 55.36 54.56 3dwy s GLN 1104Cb 0.16 -3.94 0.03 0.00 -0.22 0.00 0.00 33.01 29.04 3dwy s GLN 1104CO 0.49 -1.33 -0.12 0.34 -0.25 0.00 0.00 175.29 174.42 3dwy s ASP 1105N 3.16 2.99 0.00 5.90 -1.08 -1.26 -1.27 116.67 125.10 3dwy s ASP 1105Ca 0.57 -0.66 0.27 0.00 -0.52 0.00 0.00 52.55 52.21 3dwy s ASP 1105Cb -0.14 -1.19 0.90 0.00 -1.46 0.00 0.00 42.92 41.03 3dwy s ASP 1105CO 0.28 -0.10 1.65 -0.81 0.52 0.00 0.00 175.17 176.71 3dwy n PRO 1106N 4.74 1.27 0.20 4.34 -0.04 -1.26 -5.00 135.00 139.25 3dwy n PRO 1106Ca -0.16 -0.74 0.06 0.00 -0.04 0.00 0.00 63.50 62.61 3dwy n PRO 1106Cb 0.48 -1.48 0.42 0.00 -0.04 0.00 0.00 33.50 32.88 3dwy n PRO 1106CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dwy h GLU 1107N 1.82 0.00 0.00 0.54 3.07 -1.88 -1.87 114.58 116.26 3dwy h GLU 1107Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3dwy h GLU 1107Cb 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3dwy h GLU 1107CO 0.00 0.33 -0.07 0.66 -1.40 0.00 0.00 179.01 178.54 3dwy h SER 1108N 0.00 0.00 -0.66 1.42 4.64 -1.40 -3.39 113.55 114.15 3dwy h SER 1108Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3dwy h SER 1108Cb 0.70 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.75 3dwy h SER 1108CO 0.04 0.07 0.40 -0.07 -0.87 0.00 0.00 176.83 176.40 3dwy h LEU 1109N 0.00 0.65 -0.73 5.97 3.38 -1.55 0.22 115.31 123.26 3dwy h LEU 1109Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dwy h LEU 1109Cb 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3dwy h LEU 1109CO 0.01 0.45 0.00 -2.65 0.09 0.00 0.00 178.44 176.34 3dwy n PRO 1110N -4.71 0.12 0.00 1.13 -0.02 -1.26 -3.16 135.00 127.10 3dwy n PRO 1110Ca 0.07 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 3dwy n PRO 1110Cb 0.10 -1.79 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3dwy n PRO 1110CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dwy n PHE 1111N -2.02 0.00 0.82 6.00 3.72 0.74 -4.62 117.46 122.10 3dwy n PHE 1111Ca 0.01 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.51 3dwy n PHE 1111Cb 0.12 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.14 3dwy n PHE 1111CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3dwy n ARG 1112N 0.29 0.08 -3.68 -1.08 1.74 -0.91 -0.65 116.66 112.46 3dwy n ARG 1112Ca 0.06 0.12 -0.11 0.00 -0.77 0.00 0.00 57.85 57.15 3dwy n ARG 1112Cb 0.28 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 3dwy n ARG 1112CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3dwy s GLN 1113N -2.89 0.98 0.59 5.56 0.00 -1.26 -3.86 119.66 118.78 3dwy s GLN 1113Ca 0.13 -0.64 -0.19 0.00 -0.00 0.00 0.00 55.36 54.67 3dwy s GLN 1113Cb 0.14 0.43 -0.04 0.00 0.00 0.00 0.00 33.01 33.54 3dwy s GLN 1113CO 0.37 -0.36 1.22 -2.14 0.00 0.00 0.00 175.29 174.38 3dwy s PRO 1114N -3.37 2.98 -0.02 9.60 0.02 -1.26 -4.84 135.00 138.11 3dwy s PRO 1114Ca 0.00 1.85 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 3dwy s PRO 1114Cb 0.01 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 3dwy s PRO 1114CO -0.09 -1.20 1.59 0.08 -0.33 0.00 0.00 177.00 177.05 3dwy s VAL 1115N -1.57 3.50 -0.45 3.83 1.01 -1.26 -5.00 120.40 120.46 3dwy s VAL 1115Ca 0.77 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.42 3dwy s VAL 1115Cb -0.31 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.69 3dwy s VAL 1115CO 0.34 -0.04 0.31 -0.62 0.00 0.00 0.00 175.10 175.09 3dwy s ASP 1116N 2.77 5.68 0.41 3.32 -1.08 -1.26 -4.98 116.67 121.53 3dwy s ASP 1116Ca 0.71 -1.75 0.13 0.00 -0.52 0.00 0.00 52.55 51.11 3dwy s ASP 1116Cb -0.34 -2.00 0.87 0.00 -1.46 0.00 0.00 42.92 39.99 3dwy s ASP 1116CO 0.29 -0.63 1.93 -0.65 0.52 0.00 0.00 175.17 176.63 3dwy h PRO 1117N 8.43 0.06 -0.13 4.34 0.11 -1.94 -1.90 132.00 140.98 3dwy h PRO 1117Ca -0.22 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 3dwy h PRO 1117Cb 1.08 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dwy h PRO 1117CO 0.82 0.28 0.00 0.37 -0.21 0.00 0.00 178.00 179.27 3dwy h GLN 1118N 0.06 0.22 -0.57 1.05 5.75 -1.94 -1.05 115.11 118.64 3dwy h GLN 1118Ca 0.01 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3dwy h GLN 1118Cb 0.42 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 3dwy h GLN 1118CO 0.03 0.45 0.19 -0.07 -2.65 0.00 0.00 178.83 176.78 3dwy h LEU 1119N -0.04 0.78 -0.06 -2.39 3.38 -1.96 -3.05 115.31 111.97 3dwy h LEU 1119Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dwy h LEU 1119Cb 0.35 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dwy h LEU 1119CO 0.01 0.74 -0.09 0.18 0.09 0.00 0.00 178.44 179.36 3dwy n LEU 1120N -4.30 0.19 -4.00 1.67 4.77 -0.73 -4.94 117.00 109.66 3dwy n LEU 1120Ca 0.05 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.98 3dwy n LEU 1120Cb 0.19 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3dwy n LEU 1120CO 0.39 0.04 -0.12 0.61 -1.33 0.00 0.00 177.39 176.98 3dwy n GLY 1121N 1.38 -0.32 2.74 -0.72 0.00 -0.56 -4.97 105.19 102.75 3dwy n GLY 1121Ca 0.11 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3dwy n GLY 1121CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dwy n ILE 1122N -4.42 2.52 0.25 -0.61 -5.35 -0.51 -4.94 119.36 106.30 3dwy n ILE 1122Ca -0.16 -5.16 0.16 0.00 -0.27 0.00 0.00 62.75 57.32 3dwy n ILE 1122Cb 0.61 -2.18 0.85 0.00 -1.74 0.00 0.00 39.64 37.18 3dwy n ILE 1122CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3dwy h PRO 1123N 4.97 0.00 0.00 6.28 0.13 -1.94 -2.20 132.00 139.25 3dwy h PRO 1123Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3dwy h PRO 1123Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3dwy h PRO 1123CO 0.85 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.22 3dwy n ASP 1124N -2.63 0.00 -0.05 1.44 5.75 -1.26 -4.28 116.55 115.52 3dwy n ASP 1124Ca -0.02 0.32 -0.10 0.00 -0.01 0.00 0.00 54.79 54.98 3dwy n ASP 1124Cb 0.07 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 3dwy n ASP 1124CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3dwy h TYR 1125N 0.00 0.26 0.00 2.11 3.20 -1.80 -1.81 116.97 118.93 3dwy h TYR 1125Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3dwy h TYR 1125Cb 0.35 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3dwy h TYR 1125CO 0.00 0.17 0.00 1.19 -1.64 0.00 0.00 178.16 177.88 3dwy n PHE 1126N -4.94 0.00 0.19 -3.82 3.72 -1.26 0.19 117.46 111.55 3dwy n PHE 1126Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.43 3dwy n PHE 1126Cb 0.03 -0.40 0.36 0.00 -0.94 0.00 0.00 39.48 38.53 3dwy n PHE 1126CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3dwy h ASP 1127N 0.00 0.00 0.00 4.37 3.32 -1.57 -3.37 116.42 119.17 3dwy h ASP 1127Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3dwy h ASP 1127Cb 0.39 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3dwy h ASP 1127CO 0.00 0.35 -2.16 -0.38 -1.72 0.00 0.00 179.24 175.33 3dwy n ILE 1128N -3.53 1.15 -3.43 0.35 2.08 -0.86 -4.87 119.36 110.25 3dwy n ILE 1128Ca -0.00 -0.39 -0.44 0.00 0.56 0.00 0.00 62.75 62.48 3dwy n ILE 1128Cb 0.49 -1.41 -0.06 0.00 -0.75 0.00 0.00 39.64 37.91 3dwy n ILE 1128CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3dwy s VAL 1129N -2.40 4.82 0.12 1.39 1.01 0.13 -4.92 120.40 120.55 3dwy s VAL 1129Ca -0.28 -1.86 0.02 0.00 0.00 0.00 0.00 61.98 59.86 3dwy s VAL 1129Cb 0.08 -4.10 -0.22 0.00 0.00 0.00 0.00 36.38 32.15 3dwy s VAL 1129CO 0.43 -0.86 1.26 0.11 0.00 0.00 0.00 175.10 176.04 3dwy h LYS 1130N 8.43 0.13 -2.94 2.72 1.79 -1.84 -3.38 116.57 121.47 3dwy h LYS 1130Ca -0.18 -0.19 -0.61 0.00 -2.18 0.00 0.00 60.65 57.48 3dwy h LYS 1130Cb 1.07 0.07 -0.41 0.00 -1.58 0.00 0.00 32.23 31.38 3dwy h LYS 1130CO 0.91 1.06 -0.66 -0.80 -1.08 0.00 0.00 179.45 178.88 3dwy s ASN 1131N -6.90 4.13 0.54 0.86 0.02 -1.26 -5.11 114.94 107.22 3dwy s ASN 1131Ca -0.01 -3.68 -0.21 0.00 -1.02 0.00 0.00 52.86 47.93 3dwy s ASN 1131Cb 0.09 -1.39 -0.05 0.00 0.02 0.00 0.00 41.25 39.92 3dwy s ASN 1131CO 0.84 -0.10 1.32 -2.16 0.02 0.00 0.00 177.10 177.02 3dwy s PRO 1132N -1.12 3.17 -0.07 -0.60 0.04 -1.26 -4.88 135.00 130.28 3dwy s PRO 1132Ca 0.26 2.14 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 3dwy s PRO 1132Cb -0.03 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3dwy s PRO 1132CO -0.17 -1.13 0.34 1.41 0.04 0.00 0.00 177.00 177.49 3dwy s MET 1133N -2.93 0.56 0.24 4.56 1.75 -1.26 -5.01 119.30 117.21 3dwy s MET 1133Ca 0.72 0.14 -0.12 0.00 -1.25 0.00 0.00 55.69 55.18 3dwy s MET 1133Cb -0.38 0.26 -0.01 0.00 2.84 0.00 0.00 34.83 37.54 3dwy s MET 1133CO 0.45 -0.13 0.44 0.16 -0.65 0.00 0.00 175.02 175.29 3dwy s ASP 1134N -0.62 -0.07 0.23 1.11 -4.77 -1.26 -4.59 116.67 106.70 3dwy s ASP 1134Ca -0.07 -0.97 -0.07 0.00 -3.30 0.00 0.00 52.55 48.14 3dwy s ASP 1134Cb -0.04 0.56 0.22 0.00 -1.09 0.00 0.00 42.92 42.57 3dwy s ASP 1134CO 0.03 -1.11 1.89 -0.07 0.70 0.00 0.00 175.17 176.61 3dwy h LEU 1135N 2.29 1.08 -1.18 2.11 3.38 -1.18 -2.16 115.31 119.66 3dwy h LEU 1135Ca -0.27 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3dwy h LEU 1135Cb 1.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3dwy h LEU 1135CO 0.37 0.82 0.08 0.77 0.09 0.00 0.00 178.44 180.57 3dwy h SER 1136N 1.25 0.60 -0.27 -0.43 4.64 -1.71 0.73 113.55 118.35 3dwy h SER 1136Ca 0.33 -0.10 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 3dwy h SER 1136Cb -0.08 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3dwy h SER 1136CO -0.06 0.62 -0.53 0.74 -0.87 0.00 0.00 176.83 176.73 3dwy h THR 1137N 0.63 1.28 -0.37 2.95 2.02 -1.84 -1.80 112.91 115.77 3dwy h THR 1137Ca 0.14 -1.71 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 3dwy h THR 1137Cb 0.28 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3dwy h THR 1137CO 0.00 0.56 0.09 0.40 0.37 0.00 0.00 175.52 176.94 3dwy h ILE 1138N 0.67 1.22 -0.06 3.11 2.04 -1.07 -1.28 117.51 122.14 3dwy h ILE 1138Ca 0.02 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.15 3dwy h ILE 1138Cb 1.13 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3dwy h ILE 1138CO 0.12 0.26 -0.11 0.50 0.00 0.00 0.00 178.15 178.92 3dwy h LYS 1139N 0.45 -0.15 -0.93 2.37 3.64 -0.85 -0.34 116.57 120.76 3dwy h LYS 1139Ca 0.12 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3dwy h LYS 1139Cb 0.30 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 3dwy h LYS 1139CO 0.00 -0.10 0.58 -0.09 -2.27 0.00 0.00 179.45 177.57 3dwy h ARG 1140N -0.16 0.97 -0.40 1.90 2.43 -1.17 0.42 114.38 118.37 3dwy h ARG 1140Ca 0.06 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3dwy h ARG 1140Cb 0.24 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3dwy h ARG 1140CO -0.15 0.64 -0.23 0.87 -1.51 0.00 0.00 179.97 179.59 3dwy h LYS 1141N 1.00 0.86 -0.25 0.20 1.57 -1.01 -1.77 116.57 117.16 3dwy h LYS 1141Ca 0.43 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3dwy h LYS 1141Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3dwy h LYS 1141CO -0.21 1.03 -0.20 1.25 -0.57 0.00 0.00 179.45 180.74 3dwy h LEU 1142N 0.67 0.44 -0.48 2.94 5.85 -0.49 -1.84 115.31 122.39 3dwy h LEU 1142Ca 0.08 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 3dwy h LEU 1142Cb 0.80 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3dwy h LEU 1142CO 0.07 0.66 -0.30 0.44 -0.34 0.00 0.00 178.44 178.97 3dwy h ASP 1143N 0.41 0.00 -0.15 1.25 3.32 -0.65 -3.35 116.42 117.24 3dwy h ASP 1143Ca 0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3dwy h ASP 1143Cb 0.59 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3dwy h ASP 1143CO 0.04 0.30 -0.30 0.35 -1.72 0.00 0.00 179.24 177.91 3dwy n THR 1144N -3.27 2.34 -2.04 0.35 -2.24 -0.69 -4.98 114.28 103.75 3dwy n THR 1144Ca 0.02 -2.98 -0.20 0.00 -2.27 0.00 0.00 64.05 58.62 3dwy n THR 1144Cb 0.57 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 3dwy n THR 1144CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwy n GLY 1145N -1.12 0.54 0.09 3.38 0.00 -1.20 -4.88 105.19 102.00 3dwy n GLY 1145Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3dwy n GLY 1145CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dwy n GLN 1146N -2.68 0.26 -3.47 1.61 6.02 -0.71 -4.50 117.38 113.90 3dwy n GLN 1146Ca -0.22 0.18 -0.43 0.00 -0.01 0.00 0.00 57.00 56.52 3dwy n GLN 1146Cb 0.66 -1.77 -0.09 0.00 1.02 0.00 0.00 30.24 30.06 3dwy n GLN 1146CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3dwy s TYR 1147N -3.11 3.25 0.18 1.08 2.02 -1.25 -4.93 117.35 114.58 3dwy s TYR 1147Ca 0.10 -0.83 0.01 0.00 -0.37 0.00 0.00 57.07 55.98 3dwy s TYR 1147Cb 0.13 -2.76 0.04 0.00 -0.40 0.00 0.00 41.96 38.97 3dwy s TYR 1147CO 0.62 -0.68 1.42 1.96 -1.57 0.00 0.00 175.55 177.29 3dwy h GLN 1148N 8.62 0.30 -4.87 -0.62 7.50 -1.98 -3.46 115.11 120.59 3dwy h GLN 1148Ca -0.27 -0.27 -0.36 0.00 0.50 0.00 0.00 58.65 58.25 3dwy h GLN 1148Cb 1.11 0.07 -0.24 0.00 0.05 0.00 0.00 27.48 28.47 3dwy h GLN 1148CO 0.77 0.95 -0.76 -1.21 -1.50 0.00 0.00 178.83 177.07 3dwy s GLU 1149N -3.44 0.69 0.33 1.46 2.02 -1.26 -4.51 118.70 113.99 3dwy s GLU 1149Ca -0.04 -0.67 0.10 0.00 0.02 0.00 0.00 54.97 54.37 3dwy s GLU 1149Cb 0.10 -0.60 0.87 0.00 0.10 0.00 0.00 34.13 34.60 3dwy s GLU 1149CO 0.83 0.14 1.77 -1.35 0.02 0.00 0.00 175.26 176.67 3dwy h PRO 1150N 4.91 0.60 0.00 0.39 0.11 -1.98 -1.61 132.00 134.41 3dwy h PRO 1150Ca -0.36 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3dwy h PRO 1150Cb 1.19 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3dwy h PRO 1150CO 0.43 0.40 -0.09 0.11 -0.21 0.00 0.00 178.00 178.64 3dwy h TRP 1151N 0.62 0.00 -0.37 0.65 5.08 -1.99 -2.70 115.95 117.23 3dwy h TRP 1151Ca 0.59 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.43 3dwy h TRP 1151Cb 1.12 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.27 3dwy h TRP 1151CO -0.00 0.09 -0.31 1.96 -1.28 0.00 0.00 178.44 178.90 3dwy h GLN 1152N 0.00 0.82 0.03 0.12 4.20 -1.72 -0.49 115.11 118.07 3dwy h GLN 1152Ca -0.00 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 3dwy h GLN 1152Cb 0.27 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3dwy h GLN 1152CO 0.01 1.01 -0.01 -0.92 -0.67 0.00 0.00 178.83 178.25 3dwy h TYR 1153N 0.69 -0.04 -0.71 2.96 3.20 -1.62 -2.31 116.97 119.15 3dwy h TYR 1153Ca 0.08 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.03 3dwy h TYR 1153Cb 0.85 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.07 3dwy h TYR 1153CO 0.05 0.18 0.37 0.28 -1.64 0.00 0.00 178.16 177.40 3dwy h VAL 1154N -0.25 0.90 -0.64 1.81 2.07 -1.40 -1.24 116.25 117.50 3dwy h VAL 1154Ca -0.00 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3dwy h VAL 1154Cb 0.24 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3dwy h VAL 1154CO 0.01 0.12 0.41 0.44 0.02 0.00 0.00 177.57 178.57 3dwy h ASP 1155N 0.65 0.70 -0.66 0.57 3.32 -1.07 -0.90 116.42 119.03 3dwy h ASP 1155Ca 0.34 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 3dwy h ASP 1155Cb 0.30 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3dwy h ASP 1155CO -0.24 0.50 0.18 0.44 -1.72 0.00 0.00 179.24 178.41 3dwy h ASP 1156N 0.83 0.99 -0.58 6.45 3.32 -0.78 0.20 116.42 126.85 3dwy h ASP 1156Ca 0.24 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3dwy h ASP 1156Cb -0.06 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 3dwy h ASP 1156CO -0.07 0.94 0.28 0.58 -1.72 0.00 0.00 179.24 179.26 3dwy h VAL 1157N 1.01 1.20 -0.22 -1.35 2.07 -1.01 -1.73 116.25 116.23 3dwy h VAL 1157Ca 0.22 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3dwy h VAL 1157Cb 0.32 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3dwy h VAL 1157CO -0.00 0.23 -0.30 -0.50 0.02 0.00 0.00 177.57 177.02 3dwy h TRP 1158N 0.78 0.51 -0.02 1.57 4.06 -0.81 -2.38 115.95 119.66 3dwy h TRP 1158Ca 0.20 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 3dwy h TRP 1158Cb 0.11 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3dwy h TRP 1158CO -0.00 0.70 0.01 1.25 -3.56 0.00 0.00 178.44 176.84 3dwy h LEU 1159N 0.39 0.03 -0.50 -4.49 5.85 -0.39 0.52 115.31 116.72 3dwy h LEU 1159Ca 0.05 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3dwy h LEU 1159Cb 0.73 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 3dwy h LEU 1159CO 0.06 0.14 -0.23 -0.03 -0.34 0.00 0.00 178.44 178.04 3dwy h MET 1160N -0.09 -0.11 0.24 1.25 4.05 -1.20 -0.39 114.93 118.68 3dwy h MET 1160Ca 0.01 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3dwy h MET 1160Cb 0.12 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3dwy h MET 1160CO -0.00 -0.07 -0.12 0.74 0.23 0.00 0.00 176.91 177.69 3dwy h PHE 1161N -0.11 -0.30 -0.79 1.39 0.04 -1.21 -2.95 116.94 113.01 3dwy h PHE 1161Ca 0.23 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.02 3dwy h PHE 1161Cb 0.47 0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 3dwy h PHE 1161CO -0.50 -0.18 0.52 -0.91 -0.60 0.00 0.00 178.31 176.64 3dwy h ASN 1162N -0.35 0.84 -0.51 2.17 -0.26 -0.68 -0.58 115.58 116.21 3dwy h ASN 1162Ca -0.03 -0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.72 3dwy h ASN 1162Cb 0.27 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 3dwy h ASN 1162CO 0.06 0.58 0.30 0.78 -1.06 0.00 0.00 177.43 178.08 3dwy h ASN 1163N 0.98 0.47 -0.14 5.81 2.35 -1.04 0.61 115.58 124.62 3dwy h ASN 1163Ca 0.31 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.91 3dwy h ASN 1163Cb 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3dwy h ASN 1163CO -0.09 0.33 -0.47 0.00 -1.65 0.00 0.00 177.43 175.55 3dwy h ALA 1164N 1.24 0.67 0.00 -0.83 0.00 -1.18 -1.66 119.26 117.50 3dwy h ALA 1164Ca 0.21 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3dwy h ALA 1164Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dwy h ALA 1164CO -0.11 0.67 -0.55 -1.49 0.00 0.00 0.00 179.25 177.77 3dwy h TRP 1165N 0.56 0.00 -0.01 0.00 6.55 -1.03 -2.41 115.95 119.61 3dwy h TRP 1165Ca 0.03 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.71 3dwy h TRP 1165Cb 1.03 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.34 3dwy h TRP 1165CO 0.05 0.55 -0.62 1.25 -1.05 0.00 0.00 178.44 178.62 3dwy h LEU 1166N 0.00 0.56 0.00 -4.49 5.85 -0.71 -3.38 115.31 113.15 3dwy h LEU 1166Ca -0.01 -0.75 -0.18 0.00 0.84 0.00 0.00 57.88 57.78 3dwy h LEU 1166Cb 1.11 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3dwy h LEU 1166CO 0.07 1.24 -0.97 0.22 -0.34 0.00 0.00 178.44 178.65 3dwy h TYR 1167N -0.05 0.00 -3.51 1.25 3.20 -1.30 -3.47 116.97 113.08 3dwy h TYR 1167Ca -0.07 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.13 3dwy h TYR 1167Cb 1.32 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.44 3dwy h TYR 1167CO 0.14 0.79 -0.73 -0.80 -1.64 0.00 0.00 178.16 175.92 3dwy s ASN 1168N -6.44 4.47 0.37 -2.11 0.01 -0.91 -5.09 114.94 105.23 3dwy s ASN 1168Ca 0.01 -0.37 -0.28 0.00 -0.71 0.00 0.00 52.86 51.51 3dwy s ASN 1168Cb 0.09 -0.88 -0.11 0.00 0.41 0.00 0.00 41.25 40.76 3dwy s ASN 1168CO 0.80 0.17 1.50 0.54 -1.51 0.00 0.00 177.10 178.60 3dwy n ARG 1169N 0.65 2.67 -0.35 -0.60 1.74 -1.26 -4.81 116.66 114.70 3dwy n ARG 1169Ca -0.13 0.94 0.09 0.00 -0.77 0.00 0.00 57.85 57.98 3dwy n ARG 1169Cb 0.52 -2.67 0.27 0.00 -1.02 0.00 0.00 32.46 29.57 3dwy n ARG 1169CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3dwy h LYS 1170N 3.17 0.88 -0.32 5.56 3.64 -1.96 -1.60 116.57 125.95 3dwy h LYS 1170Ca -0.50 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3dwy h LYS 1170Cb 1.24 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3dwy h LYS 1170CO 0.66 0.59 0.00 0.25 -2.27 0.00 0.00 179.45 178.67 3dwy n THR 1171N -4.65 0.40 -1.82 1.00 -2.24 -1.26 -4.15 114.28 101.56 3dwy n THR 1171Ca 0.20 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 3dwy n THR 1171Cb 0.43 0.76 0.05 0.00 -2.10 0.00 0.00 70.33 69.47 3dwy n THR 1171CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3dwy s SER 1172N -1.50 4.94 0.20 3.42 1.04 -0.60 -4.83 113.70 116.38 3dwy s SER 1172Ca 0.36 2.61 -0.14 0.00 0.48 0.00 0.00 55.95 59.26 3dwy s SER 1172Cb 0.21 -2.62 0.22 0.00 0.10 0.00 0.00 66.02 63.92 3dwy s SER 1172CO 0.29 -1.78 1.63 -0.09 0.98 0.00 0.00 173.24 174.28 3dwy h ARG 1173N 0.90 -0.01 -0.40 4.02 2.43 -1.91 -0.56 114.38 118.85 3dwy h ARG 1173Ca -0.51 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.70 3dwy h ARG 1173Cb 1.32 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 3dwy h ARG 1173CO 0.55 -0.01 0.16 0.28 -1.51 0.00 0.00 179.97 179.44 3dwy h VAL 1174N -0.01 0.92 -0.19 0.20 2.07 -1.92 0.20 116.25 117.52 3dwy h VAL 1174Ca 0.29 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3dwy h VAL 1174Cb 0.45 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3dwy h VAL 1174CO -0.63 0.06 0.00 0.22 0.02 0.00 0.00 177.57 177.25 3dwy h TYR 1175N 0.34 0.36 -0.66 1.57 3.20 -1.67 0.20 116.97 120.31 3dwy h TYR 1175Ca 0.18 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3dwy h TYR 1175Cb 0.13 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3dwy h TYR 1175CO -0.13 0.53 0.25 0.87 -1.64 0.00 0.00 178.16 178.04 3dwy h LYS 1176N 0.10 1.00 -0.35 1.82 1.57 -0.91 -1.46 116.57 118.35 3dwy h LYS 1176Ca 0.05 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3dwy h LYS 1176Cb 0.38 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3dwy h LYS 1176CO 0.01 0.85 0.18 0.74 -0.57 0.00 0.00 179.45 180.66 3dwy h PHE 1177N 0.95 0.49 -0.59 -1.35 -1.00 -0.49 -2.58 116.94 112.37 3dwy h PHE 1177Ca 0.22 -0.02 0.11 0.00 2.81 0.00 0.00 57.97 61.09 3dwy h PHE 1177Cb 0.23 -0.15 -0.08 0.00 3.61 0.00 0.00 35.95 39.55 3dwy h PHE 1177CO 0.02 0.41 0.13 0.00 -1.61 0.00 0.00 178.31 177.25 3dwy h SER 1179N 0.26 1.12 -0.41 0.00 0.02 -1.08 -1.42 113.55 112.04 3dwy h SER 1179Ca 0.31 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3dwy h SER 1179Cb 0.45 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3dwy h SER 1179CO -0.39 0.86 0.25 0.50 -1.14 0.00 0.00 176.83 176.91 3dwy h LYS 1180N 1.29 0.49 -0.90 3.45 1.63 -1.04 -1.58 116.57 119.91 3dwy h LYS 1180Ca 0.34 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.12 3dwy h LYS 1180Cb -0.06 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.41 3dwy h LYS 1180CO -0.06 0.33 0.60 -0.07 -3.45 0.00 0.00 179.45 176.79 3dwy h LEU 1181N 0.51 1.02 -0.54 5.20 3.38 -0.99 -1.05 115.31 122.84 3dwy h LEU 1181Ca 0.16 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3dwy h LEU 1181Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3dwy h LEU 1181CO -0.06 0.73 -0.17 0.00 0.09 0.00 0.00 178.44 179.03 3dwy h ALA 1182N 1.44 0.74 -0.03 1.53 0.00 -1.00 0.18 119.26 122.12 3dwy h ALA 1182Ca 0.34 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dwy h ALA 1182Cb -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3dwy h ALA 1182CO -0.08 0.67 0.02 0.93 0.00 0.00 0.00 179.25 180.79 3dwy h GLU 1183N 0.87 0.05 -0.17 0.00 5.08 -0.95 0.11 114.58 119.58 3dwy h GLU 1183Ca 0.12 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3dwy h GLU 1183Cb 0.74 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3dwy h GLU 1183CO 0.06 0.09 0.01 0.28 -1.00 0.00 0.00 179.01 178.44 3dwy h VAL 1184N -0.01 0.89 -0.16 3.13 2.07 -1.04 -2.59 116.25 118.54 3dwy h VAL 1184Ca 0.01 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3dwy h VAL 1184Cb 0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3dwy h VAL 1184CO -0.00 0.01 0.10 0.15 0.02 0.00 0.00 177.57 177.85 3dwy h PHE 1185N 0.06 0.21 -0.90 1.57 3.04 -0.34 -1.54 116.94 119.05 3dwy h PHE 1185Ca 0.08 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.12 3dwy h PHE 1185Cb 0.09 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.47 3dwy h PHE 1185CO -0.15 0.17 0.58 0.93 -2.02 0.00 0.00 178.31 177.82 3dwy h GLU 1186N 0.19 0.88 -0.09 1.11 5.08 -0.77 0.15 114.58 121.14 3dwy h GLU 1186Ca 0.06 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3dwy h GLU 1186Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3dwy h GLU 1186CO -0.01 0.58 -0.44 1.96 -1.00 0.00 0.00 179.01 180.10 3dwy h GLN 1187N 0.91 0.21 0.11 2.33 1.08 -1.05 -3.25 115.11 115.45 3dwy h GLN 1187Ca 0.41 -0.10 -0.30 0.00 -1.45 0.00 0.00 58.65 57.20 3dwy h GLN 1187Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3dwy h GLN 1187CO -0.17 0.62 -1.59 0.93 -0.95 0.00 0.00 178.83 177.66 3dwy h GLU 1188N 0.17 0.23 -0.44 1.46 4.39 -0.51 -3.40 114.58 116.48 3dwy h GLU 1188Ca 0.01 -0.39 -0.12 0.00 0.34 0.00 0.00 59.36 59.20 3dwy h GLU 1188Cb 0.85 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3dwy h GLU 1188CO 0.07 1.19 -0.19 0.97 -1.16 0.00 0.00 179.01 179.88 3dwy h ILE 1189N -0.25 1.27 0.19 3.13 6.09 -0.85 -3.30 117.51 123.79 3dwy h ILE 1189Ca -0.35 -1.32 0.00 0.00 -1.37 0.00 0.00 64.86 61.82 3dwy h ILE 1189Cb 1.81 1.14 -0.02 0.00 0.47 0.00 0.00 36.82 40.22 3dwy h ILE 1189CO 0.04 0.45 -0.20 0.44 -3.07 0.00 0.00 178.15 175.81 3dwy h ASP 1190N 0.76 -0.53 0.25 2.19 3.32 -1.77 -0.26 116.42 120.38 3dwy h ASP 1190Ca 0.11 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3dwy h ASP 1190Cb 0.73 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3dwy h ASP 1190CO 0.06 -0.29 -0.25 1.55 -1.72 0.00 0.00 179.24 178.58 3dwy h PRO 1191N -0.43 0.01 -0.28 3.56 0.13 -1.82 -2.56 132.00 130.63 3dwy h PRO 1191Ca 0.00 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3dwy h PRO 1191Cb 0.40 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 3dwy h PRO 1191CO -0.05 0.27 0.08 0.28 -0.23 0.00 0.00 178.00 178.35 3dwy h VAL 1192N 0.01 1.20 -0.41 1.56 2.07 -1.38 -2.02 116.25 117.28 3dwy h VAL 1192Ca 0.00 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3dwy h VAL 1192Cb 0.46 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3dwy h VAL 1192CO 0.03 0.21 -0.00 0.24 0.02 0.00 0.00 177.57 178.08 3dwy h MET 1193N 0.29 0.66 -0.56 1.57 2.86 -0.98 0.59 114.93 119.36 3dwy h MET 1193Ca 0.09 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3dwy h MET 1193Cb 0.25 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3dwy h MET 1193CO -0.00 0.68 0.10 1.96 1.06 0.00 0.00 176.91 180.70 3dwy h GLN 1194N 0.63 0.89 -0.07 1.72 4.20 -1.30 0.44 115.11 121.61 3dwy h GLN 1194Ca 0.13 -0.21 -0.19 0.00 0.06 0.00 0.00 58.65 58.44 3dwy h GLN 1194Cb 0.39 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3dwy h GLN 1194CO 0.01 0.82 -0.76 0.66 -0.67 0.00 0.00 178.83 178.89 3dwy h SER 1195N 0.84 0.50 0.95 1.46 4.64 -0.95 -3.06 113.55 117.93 3dwy h SER 1195Ca 0.18 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3dwy h SER 1195Cb 0.36 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3dwy h SER 1195CO 0.01 1.09 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.86 3dwy h LEU 1196N 0.28 0.00 -1.11 5.97 3.38 -0.57 -3.51 115.31 119.75 3dwy h LEU 1196Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dwy h LEU 1196Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3dwy h LEU 1196CO 0.13 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.40