#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3j s PHE 1049N 0.00 3.03 0.11 4.28 0.08 -1.26 -5.07 117.98 119.14 3i3j s PHE 1049Ca 0.00 -0.74 -0.31 0.00 0.12 0.00 0.00 56.93 56.00 3i3j s PHE 1049Cb 0.00 -2.17 -0.09 0.00 -0.57 0.00 0.00 43.02 40.19 3i3j s PHE 1049CO 0.00 -0.48 1.66 -1.59 -0.10 0.00 0.00 175.22 174.71 3i3j s LYS 1050N 1.53 4.19 0.42 0.44 -2.85 -1.26 -4.88 119.74 117.32 3i3j s LYS 1050Ca 0.06 2.39 0.20 0.00 -1.00 0.00 0.00 55.97 57.61 3i3j s LYS 1050Cb -0.15 -3.47 1.14 0.00 -2.06 0.00 0.00 37.83 33.30 3i3j s LYS 1050CO -0.00 -0.72 1.79 -1.35 0.10 0.00 0.00 175.35 175.17 3i3j h PRO 1051N 7.93 0.35 0.03 1.78 0.11 -1.95 0.14 132.00 140.38 3i3j h PRO 1051Ca -0.43 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 3i3j h PRO 1051Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3i3j h PRO 1051CO 0.93 0.23 -0.96 0.93 -0.21 0.00 0.00 178.00 178.91 3i3j h GLU 1052N 0.36 0.15 -0.61 1.05 3.07 -1.97 -1.65 114.58 114.99 3i3j h GLU 1052Ca 0.56 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 59.17 3i3j h GLU 1052Cb 1.51 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.45 3i3j h GLU 1052CO -0.24 1.00 0.16 1.05 -1.40 0.00 0.00 179.01 179.57 3i3j h GLU 1053N 0.07 0.94 0.20 2.33 4.11 -1.14 -1.11 114.58 119.97 3i3j h GLU 1053Ca -0.05 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.17 3i3j h GLU 1053Cb 1.64 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3i3j h GLU 1053CO 0.14 0.83 -0.09 1.25 0.07 0.00 0.00 179.01 181.21 3i3j h LEU 1054N 0.90 -0.22 -0.64 3.06 5.85 -1.30 -2.68 115.31 120.27 3i3j h LEU 1054Ca 0.20 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.75 3i3j h LEU 1054Cb 0.31 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 3i3j h LEU 1054CO -0.00 0.24 0.12 -0.09 -0.34 0.00 0.00 178.44 178.36 3i3j h ARG 1055N -0.75 0.23 -0.49 1.25 2.43 -1.23 0.55 114.38 116.36 3i3j h ARG 1055Ca -0.03 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3i3j h ARG 1055Cb 0.51 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3i3j h ARG 1055CO 0.04 0.15 0.04 0.37 -1.51 0.00 0.00 179.97 179.06 3i3j h GLN 1056N 0.23 0.79 0.14 0.20 4.15 -1.23 -0.64 115.11 118.76 3i3j h GLN 1056Ca 0.34 -0.20 -0.30 0.00 0.77 0.00 0.00 58.65 59.27 3i3j h GLN 1056Cb 0.54 -0.10 0.03 0.00 0.21 0.00 0.00 27.48 28.15 3i3j h GLN 1056CO -0.45 0.77 -1.26 0.00 -1.93 0.00 0.00 178.83 175.96 3i3j h ALA 1057N 1.29 0.01 0.02 3.38 0.00 -0.88 -3.38 119.26 119.71 3i3j h ALA 1057Ca 0.15 -0.80 -0.30 0.00 0.00 0.00 0.00 54.91 53.97 3i3j h ALA 1057Cb 0.40 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3i3j h ALA 1057CO 0.01 0.74 -1.68 -0.07 0.00 0.00 0.00 179.25 178.25 3i3j h LEU 1058N 0.22 0.07 -0.73 0.00 3.38 -0.86 -3.39 115.31 114.01 3i3j h LEU 1058Ca -0.18 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.74 3i3j h LEU 1058Cb 1.94 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.59 3i3j h LEU 1058CO 0.23 1.13 0.36 -0.03 0.09 0.00 0.00 178.44 180.22 3i3j h MET 1059N 0.01 0.57 -0.71 1.13 4.05 -1.29 -0.56 114.93 118.14 3i3j h MET 1059Ca -0.28 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.18 3i3j h MET 1059Cb 2.00 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 32.63 3i3j h MET 1059CO 0.09 0.38 0.47 -1.35 0.23 0.00 0.00 176.91 176.72 3i3j h PRO 1060N 0.59 0.65 -0.14 0.39 0.11 -1.78 0.16 132.00 131.99 3i3j h PRO 1060Ca 0.37 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.30 3i3j h PRO 1060Cb 0.42 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3i3j h PRO 1060CO -0.29 0.43 -0.50 1.79 -0.21 0.00 0.00 178.00 179.22 3i3j h THR 1061N 0.67 1.34 -0.24 -1.15 1.35 -1.35 -1.38 112.91 112.15 3i3j h THR 1061Ca 0.32 -1.74 -0.14 0.00 -0.55 0.00 0.00 66.41 64.30 3i3j h THR 1061Cb 0.36 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3i3j h THR 1061CO -0.11 0.53 -0.43 0.25 -0.25 0.00 0.00 175.52 175.51 3i3j h LEU 1062N 0.29 0.63 -0.85 3.87 5.85 -0.80 -3.03 115.31 121.26 3i3j h LEU 1062Ca 0.01 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 3i3j h LEU 1062Cb 0.98 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3i3j h LEU 1062CO 0.08 0.97 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.71 3i3j h GLU 1063N 0.48 0.73 -0.86 1.25 5.08 -0.35 -1.56 114.58 119.35 3i3j h GLU 1063Ca 0.04 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3i3j h GLU 1063Cb 0.94 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 3i3j h GLU 1063CO 0.08 0.82 0.46 0.00 -1.00 0.00 0.00 179.01 179.38 3i3j h ALA 1064N 1.20 1.10 -0.17 3.43 0.00 -1.20 0.43 119.26 124.05 3i3j h ALA 1064Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3i3j h ALA 1064Cb 0.58 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i3j h ALA 1064CO 0.04 0.62 -0.15 -0.07 0.00 0.00 0.00 179.25 179.68 3i3j h LEU 1065N 1.20 0.43 -1.31 0.00 3.38 -1.39 -3.03 115.31 114.59 3i3j h LEU 1065Ca 0.30 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3i3j h LEU 1065Cb 0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3i3j h LEU 1065CO -0.05 0.81 0.49 0.22 0.09 0.00 0.00 178.44 180.00 3i3j h TYR 1066N 0.05 0.86 -0.00 1.13 3.20 -0.91 -2.05 116.97 119.25 3i3j h TYR 1066Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3i3j h TYR 1066Cb 0.68 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3i3j h TYR 1066CO 0.08 0.49 -0.00 0.54 -1.64 0.00 0.00 178.16 177.63 3i3j n ARG 1067N -4.46 1.18 -2.40 1.82 1.74 0.11 -4.70 116.66 109.95 3i3j n ARG 1067Ca 0.10 -0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 3i3j n ARG 1067Cb 0.14 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 3i3j n ARG 1067CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i3j s GLN 1068N -2.01 3.48 -0.14 5.56 -1.52 -0.77 -4.99 119.66 119.27 3i3j s GLN 1068Ca 0.45 0.69 -0.01 0.00 -1.95 0.00 0.00 55.36 54.54 3i3j s GLN 1068Cb 0.22 -4.05 -0.02 0.00 -0.22 0.00 0.00 33.01 28.94 3i3j s GLN 1068CO 0.36 -1.70 -0.12 0.34 -0.25 0.00 0.00 175.29 173.93 3i3j s ASP 1069N 3.97 4.11 0.00 5.90 2.15 -1.26 -0.62 116.67 130.92 3i3j s ASP 1069Ca 0.56 -0.31 0.26 0.00 0.43 0.00 0.00 52.55 53.48 3i3j s ASP 1069Cb -0.12 -1.64 0.62 0.00 -0.30 0.00 0.00 42.92 41.49 3i3j s ASP 1069CO 0.29 0.15 1.48 -0.81 -0.17 0.00 0.00 175.17 176.12 3i3j n PRO 1070N 3.63 1.12 -0.34 4.34 -0.05 -1.26 -4.97 135.00 137.47 3i3j n PRO 1070Ca -0.18 -0.74 0.15 0.00 -0.05 0.00 0.00 63.50 62.68 3i3j n PRO 1070Cb 0.52 -1.48 0.36 0.00 -0.05 0.00 0.00 33.50 32.85 3i3j n PRO 1070CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 3i3j h GLU 1071N 1.81 0.65 0.00 0.54 3.07 -1.89 -1.26 114.58 117.50 3i3j h GLU 1071Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3i3j h GLU 1071Cb 0.58 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3i3j h GLU 1071CO 0.00 0.43 0.00 -1.13 -1.40 0.00 0.00 179.01 176.91 3i3j n SER 1072N -4.78 0.73 -0.29 1.42 3.41 0.21 -4.19 113.62 110.12 3i3j n SER 1072Ca 0.25 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.47 3i3j n SER 1072Cb 0.65 -0.76 0.13 0.00 -0.26 0.00 0.00 64.21 63.97 3i3j n SER 1072CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i3j h LEU 1073N 0.00 -0.67 0.00 1.04 3.38 -1.42 0.85 115.31 118.48 3i3j h LEU 1073Ca 0.00 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3i3j h LEU 1073Cb 0.70 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3i3j h LEU 1073CO 0.00 -0.27 0.00 -2.65 0.09 0.00 0.00 178.44 175.61 3i3j n PRO 1074N -5.50 0.16 -0.13 1.13 -0.02 -1.26 -3.19 135.00 126.19 3i3j n PRO 1074Ca 0.13 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 3i3j n PRO 1074Cb 0.46 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.55 3i3j n PRO 1074CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i3j n PHE 1075N -1.36 0.32 0.49 6.00 3.72 0.28 -4.64 117.46 122.27 3i3j n PHE 1075Ca 0.07 -0.52 0.12 0.00 -0.05 0.00 0.00 57.45 57.06 3i3j n PHE 1075Cb 0.16 -0.05 0.17 0.00 -0.94 0.00 0.00 39.48 38.82 3i3j n PHE 1075CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3j h ARG 1076N 1.31 0.00 -4.03 -1.08 3.08 -1.50 0.13 114.38 112.29 3i3j h ARG 1076Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3i3j h ARG 1076Cb 0.69 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.54 3i3j h ARG 1076CO 0.01 0.00 -0.69 1.14 -1.07 0.00 0.00 179.97 179.36 3i3j s GLN 1077N -3.19 0.38 0.66 0.04 0.00 -1.26 -3.61 119.66 112.68 3i3j s GLN 1077Ca 0.06 -0.74 -0.17 0.00 -0.00 0.00 0.00 55.36 54.50 3i3j s GLN 1077Cb 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 33.01 33.25 3i3j s GLN 1077CO 0.72 -0.06 1.12 -2.30 0.00 0.00 0.00 175.29 174.76 3i3j n PRO 1078N 1.26 0.88 -2.42 9.60 -0.02 -1.26 -4.87 135.00 138.17 3i3j n PRO 1078Ca -0.22 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.20 3i3j n PRO 1078Cb 0.56 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3i3j n PRO 1078CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i3j s VAL 1079N -1.54 3.93 -0.57 -1.45 1.01 -1.26 -5.01 120.40 115.51 3i3j s VAL 1079Ca 0.79 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 64.21 3i3j s VAL 1079Cb -0.38 -3.93 0.15 0.00 0.00 0.00 0.00 36.38 32.22 3i3j s VAL 1079CO 0.44 0.15 0.36 -0.62 0.00 0.00 0.00 175.10 175.43 3i3j s ASP 1080N 0.76 5.03 0.43 3.32 -1.08 -1.26 -4.96 116.67 118.90 3i3j s ASP 1080Ca 0.57 -2.77 0.11 0.00 -0.52 0.00 0.00 52.55 49.94 3i3j s ASP 1080Cb -0.30 -1.80 0.96 0.00 -1.46 0.00 0.00 42.92 40.32 3i3j s ASP 1080CO 0.31 -0.36 2.02 -0.65 0.52 0.00 0.00 175.17 177.01 3i3j h PRO 1081N 7.05 0.45 0.70 4.34 0.11 -1.95 -0.61 132.00 142.10 3i3j h PRO 1081Ca -0.04 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3i3j h PRO 1081Cb 0.95 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3i3j h PRO 1081CO 0.70 0.30 -0.47 1.96 -0.21 0.00 0.00 178.00 180.28 3i3j h GLN 1082N 0.46 -1.07 -0.14 1.05 4.20 -1.93 -1.09 115.11 116.60 3i3j h GLN 1082Ca 0.21 0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3i3j h GLN 1082Cb 0.24 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3i3j h GLN 1082CO -0.05 -0.71 0.06 -0.07 -0.67 0.00 0.00 178.83 177.39 3i3j h LEU 1083N -1.11 0.18 -0.01 1.46 3.38 -1.87 -2.80 115.31 114.53 3i3j h LEU 1083Ca -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3i3j h LEU 1083Cb 0.90 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3i3j h LEU 1083CO 0.07 0.25 0.00 0.18 0.09 0.00 0.00 178.44 179.03 3i3j n LEU 1084N -4.92 0.02 -2.81 1.67 4.77 -0.28 -4.90 117.00 110.56 3i3j n LEU 1084Ca -0.05 0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 3i3j n LEU 1084Cb 0.09 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3i3j n LEU 1084CO 0.34 -0.18 0.13 0.61 -1.33 0.00 0.00 177.39 176.96 3i3j n GLY 1085N 0.48 -0.16 2.35 -0.72 0.00 -0.60 -4.99 105.19 101.54 3i3j n GLY 1085Ca 0.05 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3i3j n GLY 1085CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i3j n ILE 1086N -3.79 0.59 0.05 -0.61 -5.35 -0.51 -4.98 119.36 104.76 3i3j n ILE 1086Ca -0.12 -4.48 0.18 0.00 -0.27 0.00 0.00 62.75 58.06 3i3j n ILE 1086Cb 0.59 -2.00 0.68 0.00 -1.74 0.00 0.00 39.64 37.17 3i3j n ILE 1086CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 3i3j h PRO 1087N 4.31 0.00 -0.00 6.28 0.11 -1.94 -1.39 132.00 139.37 3i3j h PRO 1087Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i3j h PRO 1087Cb 0.79 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3i3j h PRO 1087CO 0.62 0.00 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.99 3i3j n ASP 1088N -4.41 0.24 -0.14 -2.05 5.75 -1.26 -4.13 116.55 110.55 3i3j n ASP 1088Ca 0.07 -0.90 -0.03 0.00 -0.01 0.00 0.00 54.79 53.92 3i3j n ASP 1088Cb 0.51 -0.05 0.05 0.00 -1.03 0.00 0.00 41.12 40.60 3i3j n ASP 1088CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3i3j h TYR 1089N 0.36 0.09 0.00 2.11 3.20 -1.65 -1.54 116.97 119.54 3i3j h TYR 1089Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3i3j h TYR 1089Cb 0.14 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3i3j h TYR 1089CO 0.00 -0.03 0.00 1.19 -1.64 0.00 0.00 178.16 177.68 3i3j n PHE 1090N -5.14 0.58 0.08 -3.82 3.72 -1.26 0.04 117.46 111.66 3i3j n PHE 1090Ca 0.04 0.20 -0.05 0.00 -0.05 0.00 0.00 57.45 57.59 3i3j n PHE 1090Cb 0.23 -0.82 0.14 0.00 -0.94 0.00 0.00 39.48 38.08 3i3j n PHE 1090CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3i3j h ASP 1091N 0.00 0.31 0.03 4.37 3.32 -1.54 -3.35 116.42 119.55 3i3j h ASP 1091Ca 0.00 -0.17 -0.34 0.00 0.02 0.00 0.00 57.03 56.54 3i3j h ASP 1091Cb 0.51 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3i3j h ASP 1091CO 0.00 0.80 -1.90 -0.38 -1.72 0.00 0.00 179.24 176.04 3i3j n ILE 1092N -3.92 1.58 -3.36 0.35 2.08 -0.86 -4.83 119.36 110.39 3i3j n ILE 1092Ca -0.02 -0.32 -0.45 0.00 0.56 0.00 0.00 62.75 62.53 3i3j n ILE 1092Cb 0.58 -1.86 -0.07 0.00 -0.75 0.00 0.00 39.64 37.54 3i3j n ILE 1092CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3i3j s VAL 1093N -2.46 5.21 -0.05 1.39 1.01 0.11 -4.93 120.40 120.67 3i3j s VAL 1093Ca -0.31 -1.09 0.13 0.00 0.00 0.00 0.00 61.98 60.71 3i3j s VAL 1093Cb 0.09 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 3i3j s VAL 1093CO 0.60 -0.63 1.11 0.11 0.00 0.00 0.00 175.10 176.29 3i3j h LYS 1094N 8.79 0.00 -2.80 2.72 1.79 -1.86 -3.40 116.57 121.80 3i3j h LYS 1094Ca -0.29 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.58 3i3j h LYS 1094Cb 1.11 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.36 3i3j h LYS 1094CO 0.90 0.58 -0.74 -1.12 -1.08 0.00 0.00 179.45 178.00 3i3j s SER 1095N -6.29 3.42 0.31 0.86 0.01 -1.26 -5.11 113.70 105.64 3i3j s SER 1095Ca -0.00 -3.45 -0.28 0.00 1.31 0.00 0.00 55.95 53.53 3i3j s SER 1095Cb 0.09 -1.13 -0.13 0.00 0.21 0.00 0.00 66.02 65.06 3i3j s SER 1095CO 0.80 -0.13 1.19 -2.65 0.41 0.00 0.00 173.24 172.85 3i3j n PRO 1096N 2.44 1.81 -3.87 12.44 -0.02 -1.26 -4.91 135.00 141.62 3i3j n PRO 1096Ca 0.23 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 62.24 3i3j n PRO 1096Cb 0.40 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 3i3j n PRO 1096CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i3j s MET 1097N -1.62 0.66 0.28 -0.52 1.75 -1.26 -5.04 119.30 113.54 3i3j s MET 1097Ca 0.58 -0.67 -0.20 0.00 -1.25 0.00 0.00 55.69 54.15 3i3j s MET 1097Cb -0.63 0.27 0.04 0.00 2.84 0.00 0.00 34.83 37.35 3i3j s MET 1097CO 0.60 -0.18 0.80 0.16 -0.65 0.00 0.00 175.02 175.75 3i3j s ASP 1098N -2.09 -0.16 0.22 1.11 -4.77 -1.26 -4.73 116.67 104.99 3i3j s ASP 1098Ca -0.05 -0.71 -0.08 0.00 -3.30 0.00 0.00 52.55 48.41 3i3j s ASP 1098Cb -0.01 0.70 0.18 0.00 -1.09 0.00 0.00 42.92 42.70 3i3j s ASP 1098CO -0.04 -1.33 1.84 -0.07 0.70 0.00 0.00 175.17 176.27 3i3j h LEU 1099N 2.00 1.06 -0.40 2.11 3.38 -1.00 -2.20 115.31 120.26 3i3j h LEU 1099Ca -0.24 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 3i3j h LEU 1099Cb 1.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3i3j h LEU 1099CO 0.29 0.86 -0.18 0.77 0.09 0.00 0.00 178.44 180.27 3i3j h SER 1100N 1.18 0.84 -0.89 -0.43 4.64 -1.74 -0.60 113.55 116.55 3i3j h SER 1100Ca 0.30 -0.40 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3i3j h SER 1100Cb 0.04 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.85 3i3j h SER 1100CO -0.05 1.05 0.59 0.74 -0.87 0.00 0.00 176.83 178.30 3i3j h THR 1101N 0.63 1.20 -0.52 2.95 2.02 -1.85 -0.73 112.91 116.62 3i3j h THR 1101Ca 0.09 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.75 3i3j h THR 1101Cb 0.73 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3i3j h THR 1101CO 0.06 0.22 -0.14 0.40 0.37 0.00 0.00 175.52 176.42 3i3j h ILE 1102N 1.18 1.27 -0.24 3.11 2.04 -1.07 -1.64 117.51 122.16 3i3j h ILE 1102Ca 0.34 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3i3j h ILE 1102Cb -0.09 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3i3j h ILE 1102CO -0.09 0.45 0.15 0.50 0.00 0.00 0.00 178.15 179.17 3i3j h LYS 1103N 0.88 0.32 -0.30 2.37 1.63 -0.76 -0.99 116.57 119.73 3i3j h LYS 1103Ca 0.13 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 3i3j h LYS 1103Cb 0.70 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.22 3i3j h LYS 1103CO 0.05 0.23 0.00 -0.09 -3.45 0.00 0.00 179.45 176.19 3i3j h ARG 1104N 0.31 0.09 -0.47 1.90 9.65 -0.97 0.65 114.38 125.54 3i3j h ARG 1104Ca 0.09 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 3i3j h ARG 1104Cb -0.02 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 3i3j h ARG 1104CO -0.02 0.06 0.22 0.87 2.80 0.00 0.00 179.97 183.90 3i3j h LYS 1105N 0.09 0.66 -0.29 0.20 1.57 -1.08 0.18 116.57 117.90 3i3j h LYS 1105Ca 0.14 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 3i3j h LYS 1105Cb 0.19 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3i3j h LYS 1105CO -0.24 0.52 -0.53 1.25 -0.57 0.00 0.00 179.45 179.89 3i3j h LEU 1106N 0.66 0.95 -0.48 2.94 5.85 -0.50 0.47 115.31 125.22 3i3j h LEU 1106Ca 0.17 -0.50 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 3i3j h LEU 1106Cb 0.08 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3i3j h LEU 1106CO -0.02 1.30 -0.28 0.44 -0.34 0.00 0.00 178.44 179.54 3i3j h ASP 1107N 0.67 0.99 -0.07 1.25 3.32 -0.28 -3.19 116.42 119.11 3i3j h ASP 1107Ca 0.02 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3i3j h ASP 1107Cb 1.13 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3i3j h ASP 1107CO 0.12 1.20 0.00 0.35 -1.72 0.00 0.00 179.24 179.19 3i3j n THR 1108N -4.09 0.09 -1.73 0.35 -2.24 -0.00 -4.89 114.28 101.76 3i3j n THR 1108Ca -0.01 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 3i3j n THR 1108Cb 0.49 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 3i3j n THR 1108CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3j n GLY 1109N 1.03 0.43 0.01 3.38 0.00 -1.02 -4.92 105.19 104.10 3i3j n GLY 1109Ca 0.17 -0.66 0.15 0.00 0.00 0.00 0.00 46.02 45.67 3i3j n GLY 1109CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i3j n GLN 1110N -2.14 0.47 -3.66 1.61 7.27 0.13 -4.57 117.38 116.49 3i3j n GLN 1110Ca -0.08 -0.03 -0.38 0.00 0.07 0.00 0.00 57.00 56.59 3i3j n GLN 1110Cb 0.42 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.45 3i3j n GLN 1110CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3i3j s TYR 1111N -2.54 3.16 -0.02 3.69 2.02 -1.25 -4.96 117.35 117.44 3i3j s TYR 1111Ca 0.29 -0.25 0.12 0.00 -0.37 0.00 0.00 57.07 56.86 3i3j s TYR 1111Cb 0.20 -2.33 -0.15 0.00 -0.40 0.00 0.00 41.96 39.29 3i3j s TYR 1111CO 0.46 -0.31 1.09 1.96 -1.57 0.00 0.00 175.55 177.18 3i3j h GLN 1112N 8.32 0.00 -3.73 -0.62 1.08 -1.95 -3.48 115.11 114.74 3i3j h GLN 1112Ca -0.35 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.68 3i3j h GLN 1112Cb 1.17 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.38 3i3j h GLN 1112CO 0.58 0.66 -0.61 -1.21 -0.95 0.00 0.00 178.83 177.30 3i3j s GLU 1113N -2.77 0.34 0.22 1.46 2.02 -1.26 -4.34 118.70 114.37 3i3j s GLU 1113Ca -0.00 -0.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.48 3i3j s GLU 1113Cb 0.09 0.13 0.34 0.00 0.10 0.00 0.00 34.13 34.79 3i3j s GLU 1113CO 0.80 -0.07 1.68 -1.35 0.02 0.00 0.00 175.26 176.34 3i3j h PRO 1114N 4.73 0.18 -0.41 0.39 0.11 -2.00 -1.25 132.00 133.74 3i3j h PRO 1114Ca -0.30 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.92 3i3j h PRO 1114Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3i3j h PRO 1114CO 0.42 0.12 0.30 0.11 -0.21 0.00 0.00 178.00 178.74 3i3j h TRP 1115N 0.19 0.00 -0.75 0.65 5.08 -1.99 0.39 115.95 119.53 3i3j h TRP 1115Ca 0.35 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.27 3i3j h TRP 1115Cb 0.56 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.69 3i3j h TRP 1115CO -0.31 0.00 0.29 1.96 -1.28 0.00 0.00 178.44 179.09 3i3j h GLN 1116N 0.00 1.12 0.05 0.12 4.20 -1.66 0.13 115.11 119.08 3i3j h GLN 1116Ca 0.20 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3i3j h GLN 1116Cb 0.80 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3i3j h GLN 1116CO -0.00 0.91 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.12 3i3j h TYR 1117N 1.09 -0.07 -0.81 2.96 3.20 -1.02 -2.66 116.97 119.66 3i3j h TYR 1117Ca 0.25 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.26 3i3j h TYR 1117Cb 0.22 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 3i3j h TYR 1117CO 0.02 0.33 0.39 0.28 -1.64 0.00 0.00 178.16 177.53 3i3j h VAL 1118N -0.48 0.71 -0.93 1.81 2.07 -1.16 -1.16 116.25 117.11 3i3j h VAL 1118Ca -0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3i3j h VAL 1118Cb 0.42 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3i3j h VAL 1118CO 0.01 0.10 0.61 0.44 0.02 0.00 0.00 177.57 178.76 3i3j h ASP 1119N 0.56 1.04 -0.55 0.57 5.19 -0.68 -0.93 116.42 121.62 3i3j h ASP 1119Ca 0.44 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.72 3i3j h ASP 1119Cb 0.64 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 3i3j h ASP 1119CO -0.37 0.73 -0.09 0.44 -3.12 0.00 0.00 179.24 176.82 3i3j h ASP 1120N 1.21 1.03 -0.00 6.45 3.32 -0.89 -0.48 116.42 127.07 3i3j h ASP 1120Ca 0.36 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3i3j h ASP 1120Cb -0.06 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 3i3j h ASP 1120CO -0.10 1.14 -0.13 0.40 -1.72 0.00 0.00 179.24 178.83 3i3j h ILE 1121N 0.91 0.68 -0.22 0.35 1.08 -0.73 -1.31 117.51 118.28 3i3j h ILE 1121Ca 0.14 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.54 3i3j h ILE 1121Cb 0.66 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3i3j h ILE 1121CO 0.05 0.00 -0.19 -0.50 -0.69 0.00 0.00 178.15 176.82 3i3j h TRP 1122N -0.22 0.42 -0.86 1.37 4.06 -1.13 -1.80 115.95 117.78 3i3j h TRP 1122Ca 0.05 -0.07 0.01 0.00 2.06 0.00 0.00 58.89 60.93 3i3j h TRP 1122Cb 0.27 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.28 3i3j h TRP 1122CO -0.19 0.56 0.57 1.25 -3.56 0.00 0.00 178.44 177.07 3i3j h LEU 1123N 0.35 0.99 -0.03 -4.49 5.85 -0.80 0.32 115.31 117.50 3i3j h LEU 1123Ca 0.06 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3i3j h LEU 1123Cb 0.53 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3i3j h LEU 1123CO 0.04 0.72 0.01 -0.03 -0.34 0.00 0.00 178.44 178.83 3i3j h MET 1124N 1.17 0.05 -0.02 1.25 4.05 -0.59 -1.12 114.93 119.72 3i3j h MET 1124Ca 0.32 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.75 3i3j h MET 1124Cb -0.14 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 3i3j h MET 1124CO -0.07 0.25 -0.18 0.74 0.23 0.00 0.00 176.91 177.89 3i3j h PHE 1125N -0.15 -0.47 -0.44 1.39 0.04 -1.07 -2.64 116.94 113.61 3i3j h PHE 1125Ca 0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3i3j h PHE 1125Cb 0.22 0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3i3j h PHE 1125CO -0.00 -0.26 0.13 -0.91 -0.60 0.00 0.00 178.31 176.68 3i3j h ASN 1126N -0.28 0.58 -0.66 2.17 2.35 -0.32 -1.11 115.58 118.31 3i3j h ASN 1126Ca 0.06 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3i3j h ASN 1126Cb 0.36 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.53 3i3j h ASN 1126CO -0.18 0.56 0.36 0.78 -1.65 0.00 0.00 177.43 177.30 3i3j h ASN 1127N 0.63 0.52 -0.10 5.81 2.35 -1.05 -0.56 115.58 123.18 3i3j h ASN 1127Ca 0.15 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 3i3j h ASN 1127Cb 0.19 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3i3j h ASN 1127CO -0.01 0.33 -0.11 0.00 -1.65 0.00 0.00 177.43 175.99 3i3j h ALA 1128N 1.35 0.15 -0.51 -0.83 0.00 -0.89 -0.89 119.26 117.64 3i3j h ALA 1128Ca 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3j h ALA 1128Cb 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3i3j h ALA 1128CO -0.19 0.00 0.33 -1.49 0.00 0.00 0.00 179.25 177.90 3i3j h TRP 1129N -0.16 0.64 -0.02 0.00 6.55 -1.23 -0.57 115.95 121.16 3i3j h TRP 1129Ca 0.01 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3i3j h TRP 1129Cb 0.64 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.72 3i3j h TRP 1129CO 0.09 0.41 -0.05 1.25 -1.05 0.00 0.00 178.44 179.09 3i3j h LEU 1130N 0.69 0.08 -0.10 -4.49 5.85 -0.96 -3.35 115.31 113.04 3i3j h LEU 1130Ca 0.19 -0.60 -0.23 0.00 0.84 0.00 0.00 57.88 58.07 3i3j h LEU 1130Cb -0.07 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3i3j h LEU 1130CO -0.04 0.67 -1.02 0.22 -0.34 0.00 0.00 178.44 177.93 3i3j h TYR 1131N -0.50 0.40 -2.86 1.25 3.20 -1.00 -3.46 116.97 114.00 3i3j h TYR 1131Ca -0.00 -0.25 -0.63 0.00 3.14 0.00 0.00 58.73 60.99 3i3j h TYR 1131Cb 0.66 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 3i3j h TYR 1131CO 0.13 1.11 -0.34 -0.80 -1.64 0.00 0.00 178.16 176.63 3i3j s ASN 1132N -7.01 6.59 0.43 -2.11 0.01 -0.24 -5.07 114.94 107.55 3i3j s ASN 1132Ca -0.03 0.70 -0.26 0.00 -0.71 0.00 0.00 52.86 52.56 3i3j s ASN 1132Cb 0.09 -2.15 -0.09 0.00 0.41 0.00 0.00 41.25 39.51 3i3j s ASN 1132CO 0.85 0.34 1.44 -0.13 -1.51 0.00 0.00 177.10 178.09 3i3j s ARG 1133N -1.23 3.79 0.23 -0.60 3.00 -1.26 -4.77 118.95 118.11 3i3j s ARG 1133Ca 0.22 2.45 0.15 0.00 0.00 0.00 0.00 55.73 58.55 3i3j s ARG 1133Cb -0.14 -2.73 0.83 0.00 0.00 0.00 0.00 34.95 32.91 3i3j s ARG 1133CO 0.11 -0.74 1.47 0.36 0.00 0.00 0.00 175.30 176.49 3i3j n LYS 1134N -0.03 0.10 -0.13 3.54 0.00 -1.26 -0.23 118.16 120.15 3i3j n LYS 1134Ca 0.04 0.60 0.10 0.00 -0.00 0.00 0.00 58.31 59.04 3i3j n LYS 1134Cb 0.41 -1.83 0.16 0.00 -0.00 0.00 0.00 35.03 33.77 3i3j n LYS 1134CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i3j n THR 1135N -2.04 0.43 -2.61 0.58 -2.24 -1.26 -4.73 114.28 102.42 3i3j n THR 1135Ca -0.01 -0.72 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 3i3j n THR 1135Cb 0.03 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3i3j n THR 1135CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i3j s SER 1136N -1.34 6.62 0.14 3.42 1.04 0.68 -4.97 113.70 119.28 3i3j s SER 1136Ca 0.30 1.42 -0.20 0.00 0.48 0.00 0.00 55.95 57.95 3i3j s SER 1136Cb 0.18 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3i3j s SER 1136CO 0.26 -0.49 1.68 -0.09 0.98 0.00 0.00 173.24 175.57 3i3j h ARG 1137N 1.17 -0.07 -0.86 4.02 2.43 -1.94 -2.52 114.38 116.60 3i3j h ARG 1137Ca -0.47 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.74 3i3j h ARG 1137Cb 1.18 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 3i3j h ARG 1137CO 0.62 -0.05 0.55 0.28 -1.51 0.00 0.00 179.97 179.86 3i3j h VAL 1138N -0.08 1.12 -0.43 0.20 2.07 -1.94 0.07 116.25 117.27 3i3j h VAL 1138Ca 0.12 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.32 3i3j h VAL 1138Cb 0.25 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 3i3j h VAL 1138CO -0.27 0.19 0.19 0.22 0.02 0.00 0.00 177.57 177.92 3i3j h TYR 1139N 1.05 0.34 -0.43 1.57 3.20 -1.73 0.89 116.97 121.85 3i3j h TYR 1139Ca 0.35 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.12 3i3j h TYR 1139Cb 0.04 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3i3j h TYR 1139CO -0.02 0.16 -0.20 0.87 -1.64 0.00 0.00 178.16 177.32 3i3j h LYS 1140N 0.38 0.90 -0.56 1.82 6.56 -1.00 -1.87 116.57 122.80 3i3j h LYS 1140Ca 0.19 -0.39 0.05 0.00 -1.06 0.00 0.00 60.65 59.44 3i3j h LYS 1140Cb 0.13 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.72 3i3j h LYS 1140CO -0.16 1.04 0.30 1.88 -2.06 0.00 0.00 179.45 180.45 3i3j h TYR 1141N 0.73 0.55 -0.33 -1.35 -1.99 -0.74 -1.38 116.97 112.45 3i3j h TYR 1141Ca 0.10 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.90 3i3j h TYR 1141Cb 0.77 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 39.29 3i3j h TYR 1141CO 0.06 0.27 0.06 0.00 -0.00 0.00 0.00 178.16 178.54 3i3j h SER 1143N 0.17 1.00 -0.03 0.00 0.02 -0.77 0.48 113.55 114.42 3i3j h SER 1143Ca 0.16 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3i3j h SER 1143Cb 0.18 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3i3j h SER 1143CO -0.22 0.69 0.02 0.50 -1.14 0.00 0.00 176.83 176.68 3i3j h LYS 1144N 1.17 0.04 -0.40 3.45 1.63 -0.74 -1.88 116.57 119.84 3i3j h LYS 1144Ca 0.36 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.22 3i3j h LYS 1144Cb -0.03 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.53 3i3j h LYS 1144CO -0.11 0.09 0.03 -0.07 -3.45 0.00 0.00 179.45 175.94 3i3j h LEU 1145N -0.02 -0.09 -0.76 5.20 3.38 -0.75 -1.31 115.31 120.96 3i3j h LEU 1145Ca 0.01 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.23 3i3j h LEU 1145Cb 0.06 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.81 3i3j h LEU 1145CO -0.00 -0.01 -0.05 -1.28 0.09 0.00 0.00 178.44 177.18 3i3j h SER 1146N 0.15 -0.46 -0.53 -0.43 0.87 -0.58 0.12 113.55 112.69 3i3j h SER 1146Ca 0.20 0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.85 3i3j h SER 1146Cb 0.26 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 3i3j h SER 1146CO -0.30 -0.21 -0.10 -0.33 -0.53 0.00 0.00 176.83 175.37 3i3j h GLU 1147N 0.06 1.02 -0.13 2.24 5.08 -0.49 -2.01 114.58 120.35 3i3j h GLU 1147Ca 0.40 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3i3j h GLU 1147Cb 0.69 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3i3j h GLU 1147CO -0.71 1.05 0.06 0.28 -1.00 0.00 0.00 179.01 178.69 3i3j h VAL 1148N 0.91 1.14 -0.26 3.13 2.07 -0.20 -2.89 116.25 120.15 3i3j h VAL 1148Ca 0.14 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3i3j h VAL 1148Cb 0.66 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3i3j h VAL 1148CO 0.05 0.13 -0.10 0.15 0.02 0.00 0.00 177.57 177.82 3i3j h PHE 1149N 0.07 -0.22 -0.79 1.57 3.57 -0.65 -1.66 116.94 118.84 3i3j h PHE 1149Ca 0.04 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3i3j h PHE 1149Cb 0.15 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 3i3j h PHE 1149CO -0.02 -0.15 0.43 0.93 -2.23 0.00 0.00 178.31 177.27 3i3j h GLU 1150N -0.05 0.71 -0.36 1.11 5.08 -1.29 0.36 114.58 120.14 3i3j h GLU 1150Ca 0.13 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3i3j h GLU 1150Cb 0.25 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3i3j h GLU 1150CO -0.29 0.47 -0.16 1.96 -1.00 0.00 0.00 179.01 179.98 3i3j h GLN 1151N 0.73 0.67 -0.03 2.33 4.20 -1.27 -3.20 115.11 118.53 3i3j h GLN 1151Ca 0.38 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3i3j h GLN 1151Cb 0.36 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3i3j h GLN 1151CO -0.25 0.80 -0.04 0.93 -0.67 0.00 0.00 178.83 179.59 3i3j h GLU 1152N 0.60 0.08 0.01 1.46 4.39 -0.11 -3.39 114.58 117.61 3i3j h GLU 1152Ca 0.10 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 3i3j h GLU 1152Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3i3j h GLU 1152CO 0.04 0.60 -0.88 0.97 -1.16 0.00 0.00 179.01 178.58 3i3j h ILE 1153N -0.44 1.51 0.20 3.13 6.09 -0.43 -3.36 117.51 124.22 3i3j h ILE 1153Ca 0.00 -2.66 0.01 0.00 -1.37 0.00 0.00 64.86 60.85 3i3j h ILE 1153Cb 0.59 2.49 -0.04 0.00 0.47 0.00 0.00 36.82 40.34 3i3j h ILE 1153CO 0.01 0.77 -0.39 0.44 -3.07 0.00 0.00 178.15 175.92 3i3j h ASP 1154N 0.10 -1.11 -0.22 2.19 5.19 -1.74 -0.60 116.42 120.23 3i3j h ASP 1154Ca -0.04 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3i3j h ASP 1154Cb 1.52 0.40 -0.02 0.00 0.18 0.00 0.00 39.33 41.42 3i3j h ASP 1154CO 0.13 -0.49 0.09 -0.65 -3.12 0.00 0.00 179.24 175.20 3i3j h PRO 1155N -0.67 0.41 -0.31 3.56 0.11 -1.82 -2.77 132.00 130.51 3i3j h PRO 1155Ca 0.01 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3i3j h PRO 1155Cb 0.67 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3i3j h PRO 1155CO -0.18 0.37 -0.08 0.28 -0.21 0.00 0.00 178.00 178.19 3i3j h VAL 1156N 0.41 1.28 -0.74 3.15 2.07 -1.55 -2.84 116.25 118.03 3i3j h VAL 1156Ca 0.10 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3i3j h VAL 1156Cb 0.14 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3i3j h VAL 1156CO -0.01 0.36 0.33 0.24 0.02 0.00 0.00 177.57 178.51 3i3j h MET 1157N 0.36 1.06 -0.74 1.57 2.86 -0.86 -2.46 114.93 116.72 3i3j h MET 1157Ca 0.08 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3i3j h MET 1157Cb 0.56 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 3i3j h MET 1157CO 0.03 0.83 0.48 1.96 1.06 0.00 0.00 176.91 181.27 3i3j h GLN 1158N 1.05 0.93 0.00 1.72 7.50 -1.40 0.25 115.11 125.16 3i3j h GLN 1158Ca 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.35 3i3j h GLN 1158Cb 0.14 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.46 3i3j h GLN 1158CO -0.03 0.61 0.00 0.43 -1.50 0.00 0.00 178.83 178.35 3i3j n SER 1159N -4.60 0.47 -0.09 1.46 7.64 -0.94 -3.68 113.62 113.89 3i3j n SER 1159Ca 0.08 0.63 -0.16 0.00 1.01 0.00 0.00 58.87 60.43 3i3j n SER 1159Cb 0.05 -0.73 -0.05 0.00 -1.01 0.00 0.00 64.21 62.47 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i3j n LEU 1160N -2.04 1.60 -0.93 -3.43 4.77 -0.53 -5.12 117.00 111.31 3i3j n LEU 1160Ca 0.02 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 3i3j n LEU 1160Cb 0.18 -0.63 0.12 0.00 -2.33 0.00 0.00 43.42 40.76 3i3j n LEU 1160CO 0.16 0.09 0.64 0.61 -1.33 0.00 0.00 177.39 177.56