#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 0.13 9.51 0.08 -1.26 -5.08 117.98 124.38 3i3j s PHE 1049Ca 0.00 -0.78 -0.31 0.00 0.12 0.00 0.00 56.93 55.96 3i3j s PHE 1049Cb 0.00 -2.17 -0.10 0.00 -0.57 0.00 0.00 43.02 40.19 3i3j s PHE 1049CO 0.00 -0.49 1.66 -1.59 -0.10 0.00 0.00 175.22 174.70 3i3j s LYS 1050N 1.53 4.19 0.41 0.44 -2.85 -1.26 -4.88 119.74 117.31 3i3j s LYS 1050Ca 0.06 2.41 0.18 0.00 -1.00 0.00 0.00 55.97 57.62 3i3j s LYS 1050Cb -0.15 -3.39 1.09 0.00 -2.06 0.00 0.00 37.83 33.32 3i3j s LYS 1050CO -0.00 -0.71 1.82 -1.35 0.10 0.00 0.00 175.35 175.21 3i3j h PRO 1051N 7.68 0.39 0.02 1.78 0.11 -1.95 0.12 132.00 140.15 3i3j h PRO 1051Ca -0.43 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 3i3j h PRO 1051Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3i3j h PRO 1051CO 0.93 0.26 -0.93 0.93 -0.21 0.00 0.00 178.00 178.98 3i3j h GLU 1052N 0.41 0.22 -0.63 1.05 3.07 -1.96 -1.82 114.58 114.90 3i3j h GLU 1052Ca 0.52 -0.26 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 3i3j h GLU 1052Cb 1.32 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 3i3j h GLU 1052CO -0.22 1.00 0.21 1.05 -1.40 0.00 0.00 179.01 179.65 3i3j h GLU 1053N 0.11 0.95 0.22 2.33 4.11 -1.17 -1.12 114.58 120.01 3i3j h GLU 1053Ca -0.06 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.19 3i3j h GLU 1053Cb 1.58 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3i3j h GLU 1053CO 0.14 0.81 -0.10 1.25 0.07 0.00 0.00 179.01 181.18 3i3j h LEU 1054N 0.92 -0.25 -0.59 3.06 5.85 -1.27 -2.69 115.31 120.34 3i3j h LEU 1054Ca 0.21 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.76 3i3j h LEU 1054Cb 0.24 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.26 3i3j h LEU 1054CO -0.01 0.20 0.15 -0.09 -0.34 0.00 0.00 178.44 178.35 3i3j h ARG 1055N -0.77 0.28 -0.64 1.25 2.43 -1.26 0.18 114.38 115.85 3i3j h ARG 1055Ca -0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3i3j h ARG 1055Cb 0.51 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3i3j h ARG 1055CO 0.05 0.18 0.29 1.96 -1.51 0.00 0.00 179.97 180.94 3i3j h GLN 1056N 0.29 0.92 0.11 0.20 4.20 -1.23 -0.28 115.11 119.32 3i3j h GLN 1056Ca 0.31 -0.13 -0.26 0.00 0.06 0.00 0.00 58.65 58.63 3i3j h GLN 1056Cb 0.44 -0.17 0.03 0.00 0.30 0.00 0.00 27.48 28.08 3i3j h GLN 1056CO -0.38 0.73 -1.09 0.00 -0.67 0.00 0.00 178.83 177.43 3i3j h ALA 1057N 1.40 -0.02 0.02 3.87 0.00 -0.95 -3.38 119.26 120.20 3i3j h ALA 1057Ca 0.22 -0.73 -0.27 0.00 0.00 0.00 0.00 54.91 54.13 3i3j h ALA 1057Cb 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3i3j h ALA 1057CO -0.03 0.58 -1.50 -0.07 0.00 0.00 0.00 179.25 178.23 3i3j h LEU 1058N 0.10 0.07 -0.65 0.00 3.38 -0.92 -3.39 115.31 113.90 3i3j h LEU 1058Ca -0.17 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.78 3i3j h LEU 1058Cb 1.79 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.45 3i3j h LEU 1058CO 0.21 1.10 0.29 -0.03 0.09 0.00 0.00 178.44 180.10 3i3j h MET 1059N 0.01 0.50 -0.88 1.13 4.05 -1.22 -0.82 114.93 117.70 3i3j h MET 1059Ca -0.21 -0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.30 3i3j h MET 1059Cb 1.95 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 32.57 3i3j h MET 1059CO 0.10 0.33 0.57 -1.35 0.23 0.00 0.00 176.91 176.79 3i3j h PRO 1060N 0.51 0.75 -0.15 0.39 0.11 -1.78 0.19 132.00 132.02 3i3j h PRO 1060Ca 0.32 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 3i3j h PRO 1060Cb 0.35 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3i3j h PRO 1060CO -0.27 0.50 -0.39 1.79 -0.21 0.00 0.00 178.00 179.41 3i3j h THR 1061N 0.77 1.30 -0.21 -1.15 1.35 -1.39 -1.19 112.91 112.39 3i3j h THR 1061Ca 0.43 -1.49 -0.16 0.00 -0.55 0.00 0.00 66.41 64.63 3i3j h THR 1061Cb 0.57 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 3i3j h THR 1061CO -0.19 0.45 -0.54 0.25 -0.25 0.00 0.00 175.52 175.25 3i3j h LEU 1062N 0.28 0.68 -0.85 3.87 5.85 -0.81 -3.07 115.31 121.25 3i3j h LEU 1062Ca 0.03 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 3i3j h LEU 1062Cb 0.81 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3i3j h LEU 1062CO 0.06 1.08 0.01 -0.33 -0.34 0.00 0.00 178.44 178.93 3i3j h GLU 1063N 0.47 0.86 -0.75 1.25 5.08 -0.27 -1.44 114.58 119.79 3i3j h GLU 1063Ca 0.01 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3i3j h GLU 1063Cb 1.09 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 3i3j h GLU 1063CO 0.10 0.86 0.42 0.00 -1.00 0.00 0.00 179.01 179.39 3i3j h ALA 1064N 1.20 1.33 -0.18 3.43 0.00 -1.20 0.31 119.26 124.16 3i3j h ALA 1064Ca 0.16 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3i3j h ALA 1064Cb 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i3j h ALA 1064CO 0.02 0.55 -0.38 -0.07 0.00 0.00 0.00 179.25 179.38 3i3j h LEU 1065N 1.04 0.64 -1.17 0.00 3.38 -1.38 -3.09 115.31 114.73 3i3j h LEU 1065Ca 0.27 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3i3j h LEU 1065Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3i3j h LEU 1065CO -0.05 1.08 0.39 0.22 0.09 0.00 0.00 178.44 180.17 3i3j h TYR 1066N 0.22 0.94 -0.01 1.13 3.20 -0.71 -2.05 116.97 119.69 3i3j h TYR 1066Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3i3j h TYR 1066Cb 0.98 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3i3j h TYR 1066CO 0.09 0.65 0.00 0.54 -1.64 0.00 0.00 178.16 177.80 3i3j n ARG 1067N -4.37 1.09 -2.39 1.82 1.74 0.05 -4.69 116.66 109.90 3i3j n ARG 1067Ca 0.07 -0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 3i3j n ARG 1067Cb 0.09 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.00 3.31 -0.14 5.56 -1.52 -0.77 -4.99 119.66 119.12 3i3j s GLN 1068Ca 0.44 0.46 -0.02 0.00 -1.95 0.00 0.00 55.36 54.29 3i3j s GLN 1068Cb 0.20 -4.12 -0.02 0.00 -0.22 0.00 0.00 33.01 28.86 3i3j s GLN 1068CO 0.34 -1.92 -0.09 0.34 -0.25 0.00 0.00 175.29 173.70 3i3j s ASP 1069N 4.38 4.33 0.00 5.90 2.15 -1.26 -0.55 116.67 131.62 3i3j s ASP 1069Ca 0.52 -0.25 0.27 0.00 0.43 0.00 0.00 52.55 53.52 3i3j s ASP 1069Cb -0.11 -1.68 0.81 0.00 -0.30 0.00 0.00 42.92 41.64 3i3j s ASP 1069CO 0.25 0.17 1.60 -0.81 -0.17 0.00 0.00 175.17 176.21 3i3j n PRO 1070N 3.53 1.18 -0.35 4.34 -0.05 -1.26 -4.97 135.00 137.41 3i3j n PRO 1070Ca -0.18 -0.71 0.12 0.00 -0.05 0.00 0.00 63.50 62.68 3i3j n PRO 1070Cb 0.53 -1.49 0.31 0.00 -0.05 0.00 0.00 33.50 32.80 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 1.74 0.77 0.00 0.54 3.07 -1.87 -1.34 114.58 117.49 3i3j h GLU 1071Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3i3j h GLU 1071Cb 0.53 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3i3j h GLU 1071CO 0.00 0.51 0.00 -1.13 -1.40 0.00 0.00 179.01 176.99 3i3j n SER 1072N -4.75 0.63 -0.25 1.42 3.41 0.29 -4.16 113.62 110.21 3i3j n SER 1072Ca 0.23 0.57 0.03 0.00 -0.26 0.00 0.00 58.87 59.44 3i3j n SER 1072Cb 0.55 -0.74 0.12 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.49 0.00 1.04 3.38 -1.44 0.33 115.31 118.12 3i3j h LEU 1073Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3i3j h LEU 1073Cb 0.63 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3i3j h LEU 1073CO 0.00 -0.20 0.00 -2.65 0.09 0.00 0.00 178.44 175.68 3i3j n PRO 1074N -5.40 0.11 -0.17 1.13 -0.02 -1.26 -3.16 135.00 126.23 3i3j n PRO 1074Ca 0.11 0.19 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3i3j n PRO 1074Cb 0.42 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.39 0.40 0.35 6.00 3.72 0.10 -4.63 117.46 122.00 3i3j n PHE 1075Ca 0.05 -0.58 0.12 0.00 -0.05 0.00 0.00 57.45 56.99 3i3j n PHE 1075Cb 0.15 -0.08 0.11 0.00 -0.94 0.00 0.00 39.48 38.72 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 1.39 0.00 -4.30 -1.08 3.08 -1.49 0.91 114.38 112.88 3i3j h ARG 1076Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3i3j h ARG 1076Cb 0.80 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.66 3i3j h ARG 1076CO 0.03 0.00 -0.70 1.14 -1.07 0.00 0.00 179.97 179.37 3i3j s GLN 1077N -3.25 0.52 0.62 0.04 0.00 -1.26 -3.64 119.66 112.68 3i3j s GLN 1077Ca 0.04 -0.89 -0.18 0.00 -0.00 0.00 0.00 55.36 54.32 3i3j s GLN 1077Cb 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 33.01 33.05 3i3j s GLN 1077CO 0.74 -0.03 1.05 -2.30 0.00 0.00 0.00 175.29 174.75 3i3j n PRO 1078N 0.99 0.94 -2.43 9.60 -0.02 -1.26 -4.86 135.00 137.96 3i3j n PRO 1078Ca -0.20 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3i3j n PRO 1078Cb 0.57 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.48 3.88 -0.53 -1.45 1.01 -1.26 -5.01 120.40 115.56 3i3j s VAL 1079Ca 0.78 1.46 0.00 0.00 0.00 0.00 0.00 61.98 64.22 3i3j s VAL 1079Cb -0.40 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.18 3i3j s VAL 1079CO 0.45 0.17 0.31 -0.62 0.00 0.00 0.00 175.10 175.41 3i3j s ASP 1080N 0.56 4.88 0.44 3.32 -1.08 -1.26 -4.97 116.67 118.57 3i3j s ASP 1080Ca 0.55 -2.73 0.10 0.00 -0.52 0.00 0.00 52.55 49.96 3i3j s ASP 1080Cb -0.30 -1.76 0.98 0.00 -1.46 0.00 0.00 42.92 40.39 3i3j s ASP 1080CO 0.32 -0.35 2.06 -0.65 0.52 0.00 0.00 175.17 177.08 3i3j h PRO 1081N 7.05 0.39 0.64 4.34 0.11 -1.95 -0.52 132.00 142.06 3i3j h PRO 1081Ca -0.05 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3i3j h PRO 1081Cb 0.95 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3i3j h PRO 1081CO 0.68 0.26 -0.47 0.37 -0.21 0.00 0.00 178.00 178.63 3i3j h GLN 1082N 0.41 -1.03 -0.13 1.05 -0.00 -1.93 -0.79 115.11 112.69 3i3j h GLN 1082Ca 0.14 0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 3i3j h GLN 1082Cb 0.08 0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.79 3i3j h GLN 1082CO -0.03 -0.69 0.00 1.25 0.00 0.00 0.00 178.83 179.37 3i3j h LEU 1083N -1.07 0.22 -0.16 -2.39 5.85 -1.86 -2.85 115.31 113.05 3i3j h LEU 1083Ca -0.08 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3i3j h LEU 1083Cb 0.89 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3i3j h LEU 1083CO 0.03 0.47 0.00 0.18 -0.34 0.00 0.00 178.44 178.78 3i3j n LEU 1084N -4.79 0.21 -2.53 2.25 4.77 -0.25 -4.90 117.00 111.76 3i3j n LEU 1084Ca -0.06 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 3i3j n LEU 1084Cb 0.20 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3i3j n LEU 1084CO 0.36 -0.27 0.12 0.61 -1.33 0.00 0.00 177.39 176.88 3i3j n GLY 1085N 0.36 -0.04 2.35 -0.72 0.00 -0.57 -4.99 105.19 101.58 3i3j n GLY 1085Ca 0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.67 0.67 -0.02 -0.61 -5.35 -0.41 -4.98 119.36 104.99 3i3j n ILE 1086Ca -0.07 -4.52 0.19 0.00 -0.27 0.00 0.00 62.75 58.08 3i3j n ILE 1086Cb 0.57 -2.01 0.66 0.00 -1.74 0.00 0.00 39.64 37.12 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 4.30 0.06 -0.00 6.28 0.11 -1.94 -1.50 132.00 139.31 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 0.78 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3i3j h PRO 1087CO 0.62 0.04 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.05 3i3j n ASP 1088N -4.40 0.15 -0.17 -2.05 5.75 -1.26 -4.11 116.55 110.46 3i3j n ASP 1088Ca 0.10 -0.84 -0.02 0.00 -0.01 0.00 0.00 54.79 54.03 3i3j n ASP 1088Cb 0.58 -0.06 0.08 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.23 0.21 0.00 2.11 3.20 -1.67 -1.42 116.97 119.63 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 0.12 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3i3j h TYR 1089CO 0.00 0.02 0.00 1.19 -1.64 0.00 0.00 178.16 177.73 3i3j n PHE 1090N -5.09 0.91 0.04 -3.82 3.72 -1.26 -0.14 117.46 111.83 3i3j n PHE 1090Ca 0.06 0.29 -0.04 0.00 -0.05 0.00 0.00 57.45 57.71 3i3j n PHE 1090Cb 0.26 -0.96 0.17 0.00 -0.94 0.00 0.00 39.48 38.00 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 0.42 0.04 4.37 3.32 -1.52 -3.35 116.42 119.70 3i3j h ASP 1091Ca 0.00 -0.18 -0.33 0.00 0.02 0.00 0.00 57.03 56.54 3i3j h ASP 1091Cb 0.64 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 3i3j h ASP 1091CO 0.00 0.77 -1.84 -0.38 -1.72 0.00 0.00 179.24 176.07 3i3j n ILE 1092N -4.04 1.62 -3.42 0.35 2.08 -0.83 -4.82 119.36 110.29 3i3j n ILE 1092Ca -0.01 -0.36 -0.44 0.00 0.56 0.00 0.00 62.75 62.50 3i3j n ILE 1092Cb 0.48 -1.84 -0.07 0.00 -0.75 0.00 0.00 39.64 37.46 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 -2.47 4.93 -0.07 1.39 1.01 0.81 -4.94 120.40 121.06 3i3j s VAL 1093Ca -0.29 -1.35 0.13 0.00 0.00 0.00 0.00 61.98 60.48 3i3j s VAL 1093Cb 0.08 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3i3j s VAL 1093CO 0.64 -0.68 1.26 0.11 0.00 0.00 0.00 175.10 176.43 3i3j h LYS 1094N 8.70 0.00 -2.79 2.72 1.79 -1.86 -3.40 116.57 121.74 3i3j h LYS 1094Ca -0.27 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.59 3i3j h LYS 1094Cb 1.10 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.35 3i3j h LYS 1094CO 0.91 0.60 -0.75 -1.12 -1.08 0.00 0.00 179.45 178.00 3i3j s SER 1095N -6.40 3.34 0.36 0.86 0.01 -1.26 -5.11 113.70 105.50 3i3j s SER 1095Ca 0.02 -3.40 -0.27 0.00 1.31 0.00 0.00 55.95 53.61 3i3j s SER 1095Cb 0.08 -1.09 -0.12 0.00 0.21 0.00 0.00 66.02 65.11 3i3j s SER 1095CO 0.78 -0.14 1.19 -2.65 0.41 0.00 0.00 173.24 172.83 3i3j n PRO 1096N 2.50 1.82 -3.88 12.44 -0.02 -1.26 -4.91 135.00 141.69 3i3j n PRO 1096Ca 0.22 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 62.25 3i3j n PRO 1096Cb 0.40 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.91 0.68 0.30 -0.52 1.75 -1.26 -5.04 119.30 113.31 3i3j s MET 1097Ca 0.58 -0.73 -0.20 0.00 -1.25 0.00 0.00 55.69 54.10 3i3j s MET 1097Cb -0.58 0.28 0.04 0.00 2.84 0.00 0.00 34.83 37.41 3i3j s MET 1097CO 0.60 -0.19 0.80 0.16 -0.65 0.00 0.00 175.02 175.74 3i3j s ASP 1098N -2.24 -0.13 0.24 1.11 -4.77 -1.26 -4.73 116.67 104.89 3i3j s ASP 1098Ca -0.03 -0.80 -0.06 0.00 -3.30 0.00 0.00 52.55 48.36 3i3j s ASP 1098Cb 0.00 0.73 0.24 0.00 -1.09 0.00 0.00 42.92 42.81 3i3j s ASP 1098CO -0.05 -1.40 1.84 -0.07 0.70 0.00 0.00 175.17 176.18 3i3j h LEU 1099N 2.00 1.05 -0.29 2.11 3.38 -1.07 -2.31 115.31 120.18 3i3j h LEU 1099Ca -0.25 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 3i3j h LEU 1099Cb 1.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i3j h LEU 1099CO 0.31 0.89 -0.31 0.77 0.09 0.00 0.00 178.44 180.19 3i3j h SER 1100N 1.15 0.78 -0.57 -0.43 4.64 -1.74 -0.62 113.55 116.77 3i3j h SER 1100Ca 0.28 -0.48 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 3i3j h SER 1100Cb 0.12 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 3i3j h SER 1100CO -0.03 1.10 0.35 0.74 -0.87 0.00 0.00 176.83 178.12 3i3j h THR 1101N 0.48 1.08 -0.77 2.95 2.02 -1.85 -0.70 112.91 116.12 3i3j h THR 1101Ca 0.04 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3i3j h THR 1101Cb 0.89 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3i3j h THR 1101CO 0.08 0.13 0.27 0.40 0.37 0.00 0.00 175.52 176.76 3i3j h ILE 1102N 0.70 1.26 0.10 3.11 2.04 -1.21 -1.48 117.51 122.02 3i3j h ILE 1102Ca 0.22 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3i3j h ILE 1102Cb -0.00 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3i3j h ILE 1102CO -0.09 0.35 -0.05 0.50 0.00 0.00 0.00 178.15 178.87 3i3j h LYS 1103N 1.14 -0.13 -0.40 2.37 1.63 -0.77 -0.70 116.57 119.70 3i3j h LYS 1103Ca 0.25 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.14 3i3j h LYS 1103Cb 0.27 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.85 3i3j h LYS 1103CO -0.01 -0.09 -0.12 -0.09 -3.45 0.00 0.00 179.45 175.69 3i3j h ARG 1104N -0.13 -0.03 -0.67 1.90 9.65 -0.98 0.79 114.38 124.90 3i3j h ARG 1104Ca -0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3i3j h ARG 1104Cb 0.10 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 3i3j h ARG 1104CO 0.02 -0.02 0.33 0.87 2.80 0.00 0.00 179.97 183.97 3i3j h LYS 1105N -0.03 0.95 -0.56 0.20 1.57 -1.06 0.46 116.57 118.09 3i3j h LYS 1105Ca 0.20 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3i3j h LYS 1105Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3i3j h LYS 1105CO -0.43 0.72 -0.03 1.25 -0.57 0.00 0.00 179.45 180.39 3i3j h LEU 1106N 0.95 1.00 -0.49 2.94 5.85 -0.57 0.50 115.31 125.48 3i3j h LEU 1106Ca 0.23 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 3i3j h LEU 1106Cb 0.08 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3i3j h LEU 1106CO -0.03 1.08 -0.17 0.44 -0.34 0.00 0.00 178.44 179.42 3i3j h ASP 1107N 0.90 1.00 -0.07 1.25 3.32 -0.18 -3.21 116.42 119.43 3i3j h ASP 1107Ca 0.16 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3i3j h ASP 1107Cb 0.59 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3i3j h ASP 1107CO 0.03 1.15 0.00 0.35 -1.72 0.00 0.00 179.24 179.06 3i3j n THR 1108N -4.16 0.09 -2.16 0.35 -2.24 0.09 -4.89 114.28 101.36 3i3j n THR 1108Ca 0.00 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 3i3j n THR 1108Cb 0.43 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.92 -0.01 0.01 3.38 0.00 -1.03 -4.91 105.19 103.55 3i3j n GLY 1109Ca 0.15 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.23 0.52 -3.70 1.61 7.27 0.14 -4.61 117.38 116.38 3i3j n GLN 1110Ca -0.14 -0.03 -0.37 0.00 0.07 0.00 0.00 57.00 56.52 3i3j n GLN 1110Cb 0.59 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.62 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 -2.50 3.14 -0.03 3.69 2.02 -1.25 -4.96 117.35 117.44 3i3j s TYR 1111Ca 0.30 -0.40 0.12 0.00 -0.37 0.00 0.00 57.07 56.72 3i3j s TYR 1111Cb 0.20 -2.29 -0.13 0.00 -0.40 0.00 0.00 41.96 39.34 3i3j s TYR 1111CO 0.45 -0.37 1.09 1.96 -1.57 0.00 0.00 175.55 177.12 3i3j h GLN 1112N 8.29 0.00 -3.72 -0.62 1.08 -1.95 -3.48 115.11 114.72 3i3j h GLN 1112Ca -0.36 0.00 -0.16 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 0.59 0.62 -0.60 -1.21 -0.95 0.00 0.00 178.83 177.27 3i3j s GLU 1113N -2.79 0.36 0.23 1.46 2.02 -1.26 -4.32 118.70 114.39 3i3j s GLU 1113Ca -0.00 -0.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 3i3j s GLU 1113Cb 0.09 0.14 0.39 0.00 0.10 0.00 0.00 34.13 34.84 3i3j s GLU 1113CO 0.80 -0.07 1.69 -1.35 0.02 0.00 0.00 175.26 176.35 3i3j h PRO 1114N 4.68 0.24 -0.34 0.39 0.11 -2.00 -1.27 132.00 133.81 3i3j h PRO 1114Ca -0.30 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.89 3i3j h PRO 1114Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3i3j h PRO 1114CO 0.41 0.16 0.26 0.11 -0.21 0.00 0.00 178.00 178.73 3i3j h TRP 1115N 0.24 0.00 -0.62 0.65 5.08 -1.99 0.79 115.95 120.10 3i3j h TRP 1115Ca 0.37 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.30 3i3j h TRP 1115Cb 0.61 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.74 3i3j h TRP 1115CO -0.27 0.00 0.21 1.96 -1.28 0.00 0.00 178.44 179.05 3i3j h GLN 1116N 0.00 0.93 0.06 0.12 4.20 -1.66 0.69 115.11 119.46 3i3j h GLN 1116Ca 0.16 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3i3j h GLN 1116Cb 0.67 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3i3j h GLN 1116CO -0.00 0.79 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.00 3i3j h TYR 1117N 0.91 -0.07 -0.81 2.96 3.20 -0.95 -2.73 116.97 119.47 3i3j h TYR 1117Ca 0.21 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.27 3i3j h TYR 1117Cb 0.24 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 38.41 3i3j h TYR 1117CO 0.02 0.43 0.24 0.28 -1.64 0.00 0.00 178.16 177.49 3i3j h VAL 1118N -0.64 0.45 -0.83 1.81 2.07 -1.21 -0.55 116.25 117.36 3i3j h VAL 1118Ca -0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3i3j h VAL 1118Cb 0.54 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3i3j h VAL 1118CO 0.01 0.05 0.54 0.44 0.02 0.00 0.00 177.57 178.64 3i3j h ASP 1119N 0.29 0.97 -0.54 0.57 5.19 -0.81 -0.77 116.42 121.32 3i3j h ASP 1119Ca 0.48 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 3i3j h ASP 1119Cb 0.89 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 3i3j h ASP 1119CO -0.55 0.71 0.03 0.44 -3.12 0.00 0.00 179.24 176.75 3i3j h ASP 1120N 1.14 0.90 -0.03 6.45 3.32 -0.83 0.80 116.42 128.16 3i3j h ASP 1120Ca 0.30 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3i3j h ASP 1120Cb -0.11 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 3i3j h ASP 1120CO -0.06 0.97 -0.20 0.40 -1.72 0.00 0.00 179.24 178.62 3i3j h ILE 1121N 0.80 0.51 -0.16 0.35 1.08 -0.73 -1.02 117.51 118.35 3i3j h ILE 1121Ca 0.16 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.58 3i3j h ILE 1121Cb 0.49 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3i3j h ILE 1121CO 0.02 0.00 -0.10 -0.50 -0.69 0.00 0.00 178.15 176.89 3i3j h TRP 1122N -0.31 0.25 -0.48 1.37 4.06 -0.97 -1.88 115.95 117.98 3i3j h TRP 1122Ca 0.07 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 3i3j h TRP 1122Cb 0.40 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 3i3j h TRP 1122CO -0.26 0.34 0.19 1.25 -3.56 0.00 0.00 178.44 176.40 3i3j h LEU 1123N 0.23 0.67 -0.28 -4.49 5.85 -0.45 0.11 115.31 116.95 3i3j h LEU 1123Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3i3j h LEU 1123Cb 0.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3i3j h LEU 1123CO 0.02 0.66 0.18 -0.03 -0.34 0.00 0.00 178.44 178.92 3i3j h MET 1124N 0.64 0.37 0.19 1.25 4.05 -0.62 -0.98 114.93 119.84 3i3j h MET 1124Ca 0.16 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3i3j h MET 1124Cb 0.20 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3i3j h MET 1124CO -0.01 0.27 -0.09 0.74 0.23 0.00 0.00 176.91 178.04 3i3j h PHE 1125N 0.36 -0.24 -0.40 1.39 0.04 -1.14 -2.68 116.94 114.27 3i3j h PHE 1125Ca 0.10 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3i3j h PHE 1125Cb -0.02 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3i3j h PHE 1125CO -0.05 -0.13 0.23 -0.91 -0.60 0.00 0.00 178.31 176.85 3i3j h ASN 1126N -0.29 0.48 -0.37 2.17 2.35 -0.66 -0.94 115.58 118.31 3i3j h ASN 1126Ca -0.03 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3i3j h ASN 1126Cb 0.22 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3i3j h ASN 1126CO 0.04 0.38 0.24 0.78 -1.65 0.00 0.00 177.43 177.22 3i3j h ASN 1127N 0.55 0.41 -0.03 5.81 2.35 -1.03 -0.64 115.58 122.99 3i3j h ASN 1127Ca 0.15 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3i3j h ASN 1127Cb -0.00 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3i3j h ASN 1127CO -0.03 0.29 0.00 0.00 -1.65 0.00 0.00 177.43 176.05 3i3j h ALA 1128N 1.15 0.05 -0.73 -0.83 0.00 -0.88 -0.06 119.26 117.95 3i3j h ALA 1128Ca 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3i3j h ALA 1128Cb -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3i3j h ALA 1128CO -0.04 -0.30 0.48 -1.49 0.00 0.00 0.00 179.25 177.89 3i3j h TRP 1129N -0.22 0.84 0.02 0.00 6.55 -1.25 -0.52 115.95 121.38 3i3j h TRP 1129Ca 0.01 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.87 3i3j h TRP 1129Cb 0.30 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.32 3i3j h TRP 1129CO 0.02 0.49 -0.01 1.25 -1.05 0.00 0.00 178.44 179.14 3i3j h LEU 1130N 0.87 -0.02 -0.11 -4.49 5.85 -0.90 -3.35 115.31 113.17 3i3j h LEU 1130Ca 0.29 -0.44 -0.22 0.00 0.84 0.00 0.00 57.88 58.35 3i3j h LEU 1130Cb 0.07 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3i3j h LEU 1130CO -0.08 0.43 -1.01 0.22 -0.34 0.00 0.00 178.44 177.66 3i3j h TYR 1131N -0.48 0.30 -2.82 1.25 3.20 -0.85 -3.46 116.97 114.12 3i3j h TYR 1131Ca -0.00 -0.19 -0.64 0.00 3.14 0.00 0.00 58.73 61.04 3i3j h TYR 1131Cb 0.46 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 3i3j h TYR 1131CO 0.08 1.07 -0.35 -0.80 -1.64 0.00 0.00 178.16 176.52 3i3j s ASN 1132N -6.95 6.59 0.42 -2.11 0.01 -0.22 -5.07 114.94 107.61 3i3j s ASN 1132Ca -0.02 0.70 -0.27 0.00 -0.71 0.00 0.00 52.86 52.56 3i3j s ASN 1132Cb 0.09 -2.15 -0.10 0.00 0.41 0.00 0.00 41.25 39.50 3i3j s ASN 1132CO 0.84 0.37 1.47 -2.11 -1.51 0.00 0.00 177.10 176.16 3i3j n ARG 1133N 1.89 2.48 0.16 -0.60 1.85 -1.26 -4.78 116.66 116.40 3i3j n ARG 1133Ca -0.17 0.88 0.11 0.00 -1.00 0.00 0.00 57.85 57.66 3i3j n ARG 1133Cb 0.54 -2.67 0.57 0.00 -1.05 0.00 0.00 32.46 29.85 3i3j n ARG 1133CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3i3j n LYS 1134N 0.10 0.13 -0.15 2.89 4.01 -1.26 -0.34 118.16 123.54 3i3j n LYS 1134Ca 0.03 0.63 0.11 0.00 -0.51 0.00 0.00 58.31 58.58 3i3j n LYS 1134Cb 0.40 -1.95 0.19 0.00 -0.51 0.00 0.00 35.03 33.16 3i3j n LYS 1134CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3i3j n THR 1135N -2.23 0.42 -2.55 -0.18 -2.24 -1.26 -4.74 114.28 101.50 3i3j n THR 1135Ca -0.01 -0.71 -0.31 0.00 -2.27 0.00 0.00 64.05 60.74 3i3j n THR 1135Cb 0.04 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.51 6.56 0.13 3.42 1.04 0.54 -4.98 113.70 118.89 3i3j s SER 1136Ca 0.35 1.38 -0.24 0.00 0.48 0.00 0.00 55.95 57.93 3i3j s SER 1136Cb 0.21 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 3i3j s SER 1136CO 0.30 -0.53 1.65 -0.09 0.98 0.00 0.00 173.24 175.55 3i3j h ARG 1137N 0.98 -0.27 -0.66 4.02 2.43 -1.94 -2.58 114.38 116.35 3i3j h ARG 1137Ca -0.47 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.80 3i3j h ARG 1137Cb 1.19 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 3i3j h ARG 1137CO 0.62 -0.18 0.33 0.28 -1.51 0.00 0.00 179.97 179.52 3i3j h VAL 1138N -0.28 0.89 -0.49 0.20 2.07 -1.94 0.55 116.25 117.24 3i3j h VAL 1138Ca 0.08 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.47 3i3j h VAL 1138Cb 0.40 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3i3j h VAL 1138CO -0.24 0.11 0.16 0.22 0.02 0.00 0.00 177.57 177.84 3i3j h TYR 1139N 0.60 0.27 -0.26 1.57 3.20 -1.76 0.63 116.97 121.22 3i3j h TYR 1139Ca 0.31 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.05 3i3j h TYR 1139Cb 0.28 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3i3j h TYR 1139CO -0.10 0.07 -0.46 0.87 -1.64 0.00 0.00 178.16 176.90 3i3j h LYS 1140N 0.32 0.77 -0.57 1.82 1.79 -0.92 -1.78 116.57 117.99 3i3j h LYS 1140Ca 0.24 -0.48 0.10 0.00 -2.18 0.00 0.00 60.65 58.33 3i3j h LYS 1140Cb 0.27 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.89 3i3j h LYS 1140CO -0.26 1.11 0.14 1.88 -1.08 0.00 0.00 179.45 181.24 3i3j h TYR 1141N 0.51 0.23 -0.33 -1.35 -1.99 -0.70 -1.60 116.97 111.73 3i3j h TYR 1141Ca 0.02 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.83 3i3j h TYR 1141Cb 1.06 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.73 3i3j h TYR 1141CO 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 178.16 178.32 3i3j h SER 1143N 0.20 1.07 -0.01 0.00 0.02 -0.76 0.11 113.55 114.18 3i3j h SER 1143Ca 0.16 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3i3j h SER 1143Cb 0.16 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3i3j h SER 1143CO -0.20 0.72 0.00 0.50 -1.14 0.00 0.00 176.83 176.71 3i3j h LYS 1144N 1.23 0.01 -0.54 3.45 1.63 -0.63 -1.79 116.57 119.94 3i3j h LYS 1144Ca 0.41 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 60.30 3i3j h LYS 1144Cb 0.06 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.61 3i3j h LYS 1144CO -0.14 0.19 0.11 -0.07 -3.45 0.00 0.00 179.45 176.09 3i3j h LEU 1145N -0.16 0.00 -0.67 5.20 3.38 -0.72 -1.03 115.31 121.31 3i3j h LEU 1145Ca 0.00 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.21 3i3j h LEU 1145Cb 0.18 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 3i3j h LEU 1145CO -0.00 0.02 -0.11 -1.28 0.09 0.00 0.00 178.44 177.16 3i3j h SER 1146N 0.25 -0.51 -0.56 -0.43 0.87 -0.67 0.11 113.55 112.60 3i3j h SER 1146Ca 0.28 0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.92 3i3j h SER 1146Cb 0.39 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3i3j h SER 1146CO -0.36 -0.20 -0.08 -0.33 -0.53 0.00 0.00 176.83 175.33 3i3j h GLU 1147N 0.03 1.05 0.03 2.24 5.08 -0.45 -1.97 114.58 120.59 3i3j h GLU 1147Ca 0.33 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i3j h GLU 1147Cb 0.53 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3i3j h GLU 1147CO -0.65 1.07 -0.01 0.28 -1.00 0.00 0.00 179.01 178.70 3i3j h VAL 1148N 0.94 1.01 -0.28 3.13 2.07 -0.54 -2.96 116.25 119.62 3i3j h VAL 1148Ca 0.15 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3i3j h VAL 1148Cb 0.65 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3i3j h VAL 1148CO 0.05 0.03 -0.09 0.15 0.02 0.00 0.00 177.57 177.72 3i3j h PHE 1149N -0.09 -0.21 -0.73 1.57 3.57 -0.63 -1.50 116.94 118.93 3i3j h PHE 1149Ca -0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.63 3i3j h PHE 1149Cb 0.08 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 3i3j h PHE 1149CO -0.06 -0.15 0.36 0.93 -2.23 0.00 0.00 178.31 177.16 3i3j h GLU 1150N -0.03 0.56 -0.45 1.11 5.08 -1.31 0.34 114.58 119.87 3i3j h GLU 1150Ca 0.14 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3i3j h GLU 1150Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3i3j h GLU 1150CO -0.31 0.37 0.00 1.96 -1.00 0.00 0.00 179.01 180.04 3i3j h GLN 1151N 0.58 0.74 -0.02 2.33 4.20 -1.29 -3.19 115.11 118.46 3i3j h GLN 1151Ca 0.37 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3i3j h GLN 1151Cb 0.44 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3i3j h GLN 1151CO -0.30 0.75 -0.06 0.93 -0.67 0.00 0.00 178.83 179.48 3i3j h GLU 1152N 0.70 0.08 -0.00 1.46 4.39 0.10 -3.38 114.58 117.92 3i3j h GLU 1152Ca 0.14 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.60 3i3j h GLU 1152Cb 0.42 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3i3j h GLU 1152CO 0.02 0.67 -0.82 0.97 -1.16 0.00 0.00 179.01 178.69 3i3j h ILE 1153N -0.49 1.54 0.31 3.13 6.09 -0.50 -3.36 117.51 124.24 3i3j h ILE 1153Ca -0.00 -2.67 0.00 0.00 -1.37 0.00 0.00 64.86 60.82 3i3j h ILE 1153Cb 0.68 2.46 -0.03 0.00 0.47 0.00 0.00 36.82 40.40 3i3j h ILE 1153CO 0.01 0.77 -0.35 0.44 -3.07 0.00 0.00 178.15 175.95 3i3j h ASP 1154N 0.04 -0.95 -0.25 2.19 5.19 -1.74 -0.81 116.42 120.09 3i3j h ASP 1154Ca -0.02 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3i3j h ASP 1154Cb 1.43 0.33 -0.02 0.00 0.18 0.00 0.00 39.33 41.25 3i3j h ASP 1154CO 0.11 -0.48 0.10 -0.65 -3.12 0.00 0.00 179.24 175.20 3i3j h PRO 1155N -0.70 0.44 -0.34 3.56 0.11 -1.81 -2.78 132.00 130.48 3i3j h PRO 1155Ca -0.01 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 3i3j h PRO 1155Cb 0.65 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3i3j h PRO 1155CO -0.09 0.39 -0.13 0.28 -0.21 0.00 0.00 178.00 178.24 3i3j h VAL 1156N 0.44 1.29 -0.65 3.15 2.07 -1.57 -2.80 116.25 118.18 3i3j h VAL 1156Ca 0.11 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3i3j h VAL 1156Cb 0.14 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3i3j h VAL 1156CO -0.01 0.40 0.23 0.24 0.02 0.00 0.00 177.57 178.46 3i3j h MET 1157N 0.47 0.96 -0.66 1.57 2.86 -0.91 -2.51 114.93 116.71 3i3j h MET 1157Ca 0.08 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3i3j h MET 1157Cb 0.66 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 3i3j h MET 1157CO 0.04 0.80 0.43 1.96 1.06 0.00 0.00 176.91 181.20 3i3j h GLN 1158N 0.94 0.88 0.00 1.72 4.20 -1.37 -1.60 115.11 119.88 3i3j h GLN 1158Ca 0.22 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3i3j h GLN 1158Cb 0.22 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3i3j h GLN 1158CO -0.02 0.60 0.00 0.43 -0.67 0.00 0.00 178.83 179.17 3i3j n SER 1159N -4.61 0.58 -0.76 1.46 7.64 -0.97 -5.14 113.62 111.83 3i3j n SER 1159Ca 0.05 0.68 0.10 0.00 1.01 0.00 0.00 58.87 60.71 3i3j n SER 1159Cb 0.03 -0.79 0.08 0.00 -1.01 0.00 0.00 64.21 62.52 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21