#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 3.05 0.13 4.28 0.08 -1.26 -5.08 117.98 119.18 3i3j s PHE 1049Ca 0.00 -0.79 -0.31 0.00 0.12 0.00 0.00 56.93 55.95 3i3j s PHE 1049Cb 0.00 -2.19 -0.10 0.00 -0.57 0.00 0.00 43.02 40.16 3i3j s PHE 1049CO 0.00 -0.49 1.70 -1.59 -0.10 0.00 0.00 175.22 174.74 3i3j s LYS 1050N 1.53 4.17 0.41 0.44 -2.85 -1.26 -4.88 119.74 117.30 3i3j s LYS 1050Ca 0.05 2.47 0.19 0.00 -1.00 0.00 0.00 55.97 57.68 3i3j s LYS 1050Cb -0.15 -3.41 1.13 0.00 -2.06 0.00 0.00 37.83 33.33 3i3j s LYS 1050CO 0.00 -0.74 1.80 -1.35 0.10 0.00 0.00 175.35 175.16 3i3j h PRO 1051N 7.82 0.36 0.03 1.78 0.11 -1.95 0.12 132.00 140.27 3i3j h PRO 1051Ca -0.44 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.43 3i3j h PRO 1051Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3i3j h PRO 1051CO 0.94 0.24 -1.01 0.93 -0.21 0.00 0.00 178.00 178.88 3i3j h GLU 1052N 0.37 0.12 -0.75 1.05 3.07 -1.97 -1.66 114.58 114.81 3i3j h GLU 1052Ca 0.56 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 59.20 3i3j h GLU 1052Cb 1.46 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.40 3i3j h GLU 1052CO -0.24 1.02 0.29 1.05 -1.40 0.00 0.00 179.01 179.73 3i3j h GLU 1053N 0.04 1.14 0.46 2.33 4.11 -1.17 -0.96 114.58 120.53 3i3j h GLU 1053Ca -0.05 -0.22 -0.02 0.00 0.07 0.00 0.00 59.36 59.14 3i3j h GLU 1053Cb 1.72 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3i3j h GLU 1053CO 0.15 0.94 -0.22 -0.07 0.07 0.00 0.00 179.01 179.87 3i3j h LEU 1054N 1.09 -0.52 -0.62 3.06 3.38 -1.31 -2.62 115.31 117.77 3i3j h LEU 1054Ca 0.25 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.26 3i3j h LEU 1054Cb 0.24 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 3i3j h LEU 1054CO -0.02 -0.18 0.01 -0.09 0.09 0.00 0.00 178.44 178.24 3i3j h ARG 1055N -0.89 0.12 -0.58 1.13 2.43 -1.23 0.11 114.38 115.47 3i3j h ARG 1055Ca -0.06 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3i3j h ARG 1055Cb 0.58 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3i3j h ARG 1055CO 0.10 0.08 0.24 1.96 -1.51 0.00 0.00 179.97 180.85 3i3j h GLN 1056N 0.12 0.83 0.23 0.20 4.20 -1.19 -0.59 115.11 118.91 3i3j h GLN 1056Ca 0.32 -0.12 -0.33 0.00 0.06 0.00 0.00 58.65 58.59 3i3j h GLN 1056Cb 0.52 -0.15 0.03 0.00 0.30 0.00 0.00 27.48 28.18 3i3j h GLN 1056CO -0.52 0.67 -1.44 0.00 -0.67 0.00 0.00 178.83 176.87 3i3j h ALA 1057N 1.45 -0.12 0.01 3.87 0.00 -0.73 -3.38 119.26 120.35 3i3j h ALA 1057Ca 0.20 -0.86 -0.28 0.00 0.00 0.00 0.00 54.91 53.97 3i3j h ALA 1057Cb 0.14 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3i3j h ALA 1057CO -0.02 0.74 -1.58 -0.07 0.00 0.00 0.00 179.25 178.31 3i3j h LEU 1058N 0.14 0.03 -0.55 0.00 3.38 -0.78 -3.39 115.31 114.15 3i3j h LEU 1058Ca -0.24 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.76 3i3j h LEU 1058Cb 2.13 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.80 3i3j h LEU 1058CO 0.27 1.06 0.16 -0.03 0.09 0.00 0.00 178.44 179.98 3i3j h MET 1059N 0.01 0.30 -0.86 1.13 4.05 -1.28 -1.36 114.93 116.91 3i3j h MET 1059Ca -0.24 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.27 3i3j h MET 1059Cb 1.97 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 32.64 3i3j h MET 1059CO 0.09 0.20 0.56 -1.35 0.23 0.00 0.00 176.91 176.64 3i3j h PRO 1060N 0.31 0.76 -0.21 0.39 0.11 -1.78 0.24 132.00 131.82 3i3j h PRO 1060Ca 0.28 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 3i3j h PRO 1060Cb 0.37 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3i3j h PRO 1060CO -0.32 0.50 -0.27 1.79 -0.21 0.00 0.00 178.00 179.49 3i3j h THR 1061N 0.78 1.26 -0.14 -1.15 1.35 -1.49 -1.02 112.91 112.51 3i3j h THR 1061Ca 0.41 -1.27 -0.17 0.00 -0.55 0.00 0.00 66.41 64.83 3i3j h THR 1061Cb 0.52 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3i3j h THR 1061CO -0.18 0.40 -0.64 0.25 -0.25 0.00 0.00 175.52 175.10 3i3j h LEU 1062N 0.35 0.58 -0.83 3.87 5.85 -0.59 -3.04 115.31 121.51 3i3j h LEU 1062Ca 0.05 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 3i3j h LEU 1062Cb 0.67 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3i3j h LEU 1062CO 0.05 1.07 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.89 3i3j h GLU 1063N 0.37 0.88 -0.97 1.25 5.08 -0.24 -1.70 114.58 119.25 3i3j h GLU 1063Ca -0.01 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3i3j h GLU 1063Cb 1.20 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 3i3j h GLU 1063CO 0.12 0.87 0.64 0.00 -1.00 0.00 0.00 179.01 179.64 3i3j h ALA 1064N 1.18 1.23 -0.24 3.43 0.00 -1.15 0.51 119.26 124.21 3i3j h ALA 1064Ca 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3i3j h ALA 1064Cb 0.49 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i3j h ALA 1064CO 0.02 0.63 -0.17 -0.07 0.00 0.00 0.00 179.25 179.66 3i3j h LEU 1065N 1.31 0.57 -1.12 0.00 3.38 -1.38 -3.03 115.31 115.04 3i3j h LEU 1065Ca 0.35 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3i3j h LEU 1065Cb -0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3i3j h LEU 1065CO -0.08 0.89 0.31 0.22 0.09 0.00 0.00 178.44 179.87 3i3j h TYR 1066N 0.25 0.92 -0.00 1.13 3.20 -0.69 -1.73 116.97 120.05 3i3j h TYR 1066Ca 0.05 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3i3j h TYR 1066Cb 0.70 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3i3j h TYR 1066CO 0.07 0.68 -0.00 0.54 -1.64 0.00 0.00 178.16 177.81 3i3j n ARG 1067N -4.34 1.01 -2.35 1.82 1.74 0.11 -4.71 116.66 109.94 3i3j n ARG 1067Ca 0.06 -0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 3i3j n ARG 1067Cb 0.14 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.03 3.47 -0.11 5.56 -1.52 -0.65 -4.98 119.66 119.40 3i3j s GLN 1068Ca 0.47 0.81 0.02 0.00 -1.95 0.00 0.00 55.36 54.71 3i3j s GLN 1068Cb 0.22 -4.06 -0.01 0.00 -0.22 0.00 0.00 33.01 28.94 3i3j s GLN 1068CO 0.37 -1.70 -0.19 0.34 -0.25 0.00 0.00 175.29 173.86 3i3j s ASP 1069N 4.21 3.50 0.00 5.90 2.15 -1.26 -0.73 116.67 130.43 3i3j s ASP 1069Ca 0.59 -0.46 0.26 0.00 0.43 0.00 0.00 52.55 53.38 3i3j s ASP 1069Cb -0.13 -1.50 0.75 0.00 -0.30 0.00 0.00 42.92 41.75 3i3j s ASP 1069CO 0.31 0.16 1.57 -0.81 -0.17 0.00 0.00 175.17 176.22 3i3j n PRO 1070N 3.54 1.11 -0.30 4.34 -0.05 -1.26 -4.97 135.00 137.41 3i3j n PRO 1070Ca -0.19 -0.68 0.17 0.00 -0.05 0.00 0.00 63.50 62.75 3i3j n PRO 1070Cb 0.53 -1.49 0.43 0.00 -0.05 0.00 0.00 33.50 32.93 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 1.67 0.54 0.00 0.54 3.07 -1.89 -1.57 114.58 116.94 3i3j h GLU 1071Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3i3j h GLU 1071Cb 0.54 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3i3j h GLU 1071CO 0.00 0.36 0.00 -1.13 -1.40 0.00 0.00 179.01 176.84 3i3j n SER 1072N -4.62 0.85 -0.26 1.42 3.41 0.09 -4.23 113.62 110.29 3i3j n SER 1072Ca 0.22 0.58 0.06 0.00 -0.26 0.00 0.00 58.87 59.47 3i3j n SER 1072Cb 0.67 -0.81 0.18 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.16 0.00 1.04 3.38 -1.48 0.11 115.31 118.20 3i3j h LEU 1073Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3i3j h LEU 1073Cb 0.74 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3i3j h LEU 1073CO 0.00 -0.12 0.00 -2.65 0.09 0.00 0.00 178.44 175.76 3i3j n PRO 1074N -5.26 0.28 -0.10 1.13 -0.02 -1.26 -3.33 135.00 126.45 3i3j n PRO 1074Ca 0.15 0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 3i3j n PRO 1074Cb 0.49 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.26 0.21 0.29 6.00 3.72 0.37 -4.68 117.46 122.11 3i3j n PHE 1075Ca 0.09 -0.60 0.12 0.00 -0.05 0.00 0.00 57.45 57.01 3i3j n PHE 1075Cb 0.14 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.72 0.00 -4.24 -1.08 3.08 -1.54 0.12 114.38 111.45 3i3j h ARG 1076Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3i3j h ARG 1076Cb 0.71 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.55 3i3j h ARG 1076CO 0.02 0.00 -0.71 1.14 -1.07 0.00 0.00 179.97 179.35 3i3j s GLN 1077N -3.28 0.42 0.63 0.04 0.00 -1.26 -3.55 119.66 112.66 3i3j s GLN 1077Ca 0.03 -0.71 -0.17 0.00 -0.00 0.00 0.00 55.36 54.50 3i3j s GLN 1077Cb 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 33.01 33.01 3i3j s GLN 1077CO 0.75 -0.01 0.75 -2.30 0.00 0.00 0.00 175.29 174.49 3i3j n PRO 1078N 1.44 0.62 -2.49 9.60 -0.02 -1.26 -4.87 135.00 138.01 3i3j n PRO 1078Ca -0.23 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 3i3j n PRO 1078Cb 0.55 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.68 4.08 -0.59 -1.45 1.01 -1.26 -5.01 120.40 115.50 3i3j s VAL 1079Ca 0.72 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 64.28 3i3j s VAL 1079Cb -0.40 -4.02 0.15 0.00 0.00 0.00 0.00 36.38 32.11 3i3j s VAL 1079CO 0.51 0.18 0.39 -0.62 0.00 0.00 0.00 175.10 175.56 3i3j s ASP 1080N 0.61 5.07 0.40 3.32 -1.08 -1.26 -4.96 116.67 118.76 3i3j s ASP 1080Ca 0.54 -2.83 0.11 0.00 -0.52 0.00 0.00 52.55 49.85 3i3j s ASP 1080Cb -0.28 -1.81 0.90 0.00 -1.46 0.00 0.00 42.92 40.27 3i3j s ASP 1080CO 0.31 -0.35 1.95 -0.65 0.52 0.00 0.00 175.17 176.95 3i3j h PRO 1081N 7.00 0.55 0.59 4.34 0.11 -1.95 -0.30 132.00 142.35 3i3j h PRO 1081Ca -0.03 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3i3j h PRO 1081Cb 0.95 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3i3j h PRO 1081CO 0.71 0.37 -0.46 0.37 -0.21 0.00 0.00 178.00 178.77 3i3j h GLN 1082N 0.57 -0.98 -0.17 1.05 4.15 -1.93 -0.79 115.11 117.01 3i3j h GLN 1082Ca 0.33 0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.79 3i3j h GLN 1082Cb 0.52 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 3i3j h GLN 1082CO -0.11 -0.65 0.01 -0.07 -1.93 0.00 0.00 178.83 176.07 3i3j h LEU 1083N -1.02 0.29 -0.22 -2.39 3.38 -1.87 -2.91 115.31 110.57 3i3j h LEU 1083Ca -0.07 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3i3j h LEU 1083Cb 0.86 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3i3j h LEU 1083CO 0.01 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.24 3i3j n LEU 1084N -4.74 0.29 -2.53 1.67 4.77 -0.17 -4.90 117.00 111.40 3i3j n LEU 1084Ca -0.05 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 3i3j n LEU 1084Cb 0.21 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.85 3i3j n LEU 1084CO 0.36 -0.31 0.12 0.61 -1.33 0.00 0.00 177.39 176.85 3i3j n GLY 1085N 0.35 -0.04 2.37 -0.72 0.00 -0.45 -4.99 105.19 101.70 3i3j n GLY 1085Ca 0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.63 0.79 -0.01 -0.61 -5.35 -0.43 -4.99 119.36 105.13 3i3j n ILE 1086Ca -0.08 -4.56 0.17 0.00 -0.27 0.00 0.00 62.75 58.01 3i3j n ILE 1086Cb 0.57 -2.01 0.62 0.00 -1.74 0.00 0.00 39.64 37.08 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 4.35 0.13 0.00 6.28 0.11 -1.95 -1.43 132.00 139.50 3i3j h PRO 1087Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i3j h PRO 1087Cb 0.78 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3i3j h PRO 1087CO 0.64 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 3i3j n ASP 1088N -4.43 0.00 -0.13 -2.05 5.75 -1.26 -4.12 116.55 110.31 3i3j n ASP 1088Ca 0.09 -0.74 -0.04 0.00 -0.01 0.00 0.00 54.79 54.09 3i3j n ASP 1088Cb 0.49 -0.08 0.04 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.00 0.05 0.00 2.11 3.20 -1.66 -1.35 116.97 119.32 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 0.08 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3i3j h TYR 1089CO 0.00 -0.04 0.00 1.19 -1.64 0.00 0.00 178.16 177.67 3i3j n PHE 1090N -5.16 0.79 0.04 -3.82 3.72 -1.26 -0.18 117.46 111.60 3i3j n PHE 1090Ca 0.03 0.27 -0.05 0.00 -0.05 0.00 0.00 57.45 57.65 3i3j n PHE 1090Cb 0.21 -0.94 0.14 0.00 -0.94 0.00 0.00 39.48 37.96 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 0.45 0.05 4.37 3.32 -1.51 -3.35 116.42 119.75 3i3j h ASP 1091Ca 0.00 -0.20 -0.34 0.00 0.02 0.00 0.00 57.03 56.51 3i3j h ASP 1091Cb 0.54 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3i3j h ASP 1091CO 0.00 0.83 -1.90 -0.38 -1.72 0.00 0.00 179.24 176.07 3i3j n ILE 1092N -4.01 1.63 -3.46 0.35 2.08 -0.84 -4.83 119.36 110.29 3i3j n ILE 1092Ca -0.02 -0.41 -0.43 0.00 0.56 0.00 0.00 62.75 62.46 3i3j n ILE 1092Cb 0.52 -1.81 -0.08 0.00 -0.75 0.00 0.00 39.64 37.52 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 -2.48 4.80 0.07 1.39 1.01 0.75 -4.94 120.40 121.00 3i3j s VAL 1093Ca -0.28 -1.32 0.08 0.00 0.00 0.00 0.00 61.98 60.46 3i3j s VAL 1093Cb 0.08 -3.96 -0.22 0.00 0.00 0.00 0.00 36.38 32.28 3i3j s VAL 1093CO 0.65 -0.63 1.11 0.11 0.00 0.00 0.00 175.10 176.35 3i3j h LYS 1094N 8.64 0.01 -2.90 2.72 1.79 -1.86 -3.40 116.57 121.56 3i3j h LYS 1094Ca -0.26 -0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.58 3i3j h LYS 1094Cb 1.10 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 31.35 3i3j h LYS 1094CO 0.87 0.87 -0.71 -1.12 -1.08 0.00 0.00 179.45 178.28 3i3j s SER 1095N -6.56 3.69 0.39 0.86 0.01 -1.26 -5.10 113.70 105.73 3i3j s SER 1095Ca -0.01 -3.37 -0.25 0.00 1.31 0.00 0.00 55.95 53.63 3i3j s SER 1095Cb 0.09 -1.21 -0.11 0.00 0.21 0.00 0.00 66.02 65.00 3i3j s SER 1095CO 0.82 -0.15 1.02 -2.65 0.41 0.00 0.00 173.24 172.69 3i3j n PRO 1096N 2.56 1.40 -3.76 12.44 -0.02 -1.26 -4.90 135.00 141.45 3i3j n PRO 1096Ca 0.19 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3i3j n PRO 1096Cb 0.38 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.92 0.79 0.26 -0.52 1.75 -1.26 -5.03 119.30 113.37 3i3j s MET 1097Ca 0.62 -0.49 -0.21 0.00 -1.25 0.00 0.00 55.69 54.36 3i3j s MET 1097Cb -0.58 0.34 0.03 0.00 2.84 0.00 0.00 34.83 37.46 3i3j s MET 1097CO 0.58 -0.25 0.78 0.16 -0.65 0.00 0.00 175.02 175.64 3i3j s ASP 1098N -2.00 -0.21 0.25 1.11 -4.77 -1.26 -4.71 116.67 105.07 3i3j s ASP 1098Ca -0.06 -0.62 -0.06 0.00 -3.30 0.00 0.00 52.55 48.51 3i3j s ASP 1098Cb -0.01 0.69 0.26 0.00 -1.09 0.00 0.00 42.92 42.77 3i3j s ASP 1098CO -0.03 -1.28 1.92 -0.07 0.70 0.00 0.00 175.17 176.41 3i3j h LEU 1099N 2.00 1.11 -0.29 2.11 3.38 -1.02 -2.26 115.31 120.34 3i3j h LEU 1099Ca -0.21 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 3i3j h LEU 1099Cb 1.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3i3j h LEU 1099CO 0.25 0.79 -0.22 0.77 0.09 0.00 0.00 178.44 180.12 3i3j h SER 1100N 1.30 0.69 -0.84 -0.43 4.64 -1.74 -1.38 113.55 115.78 3i3j h SER 1100Ca 0.36 -0.45 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3i3j h SER 1100Cb -0.12 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 61.73 3i3j h SER 1100CO -0.09 0.99 0.55 0.74 -0.87 0.00 0.00 176.83 178.16 3i3j h THR 1101N 0.39 1.08 -0.25 2.95 2.02 -1.84 -0.88 112.91 116.38 3i3j h THR 1101Ca 0.05 -0.33 -0.17 0.00 0.77 0.00 0.00 66.41 66.73 3i3j h THR 1101Cb 0.77 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3i3j h THR 1101CO 0.06 0.18 -0.53 0.40 0.37 0.00 0.00 175.52 176.00 3i3j h ILE 1102N 0.98 1.29 -0.21 3.11 2.04 -1.19 -1.92 117.51 121.61 3i3j h ILE 1102Ca 0.35 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 3i3j h ILE 1102Cb 0.15 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3i3j h ILE 1102CO -0.12 0.56 0.11 0.50 0.00 0.00 0.00 178.15 179.19 3i3j h LYS 1103N 0.57 0.29 -0.19 2.37 1.63 -0.75 -0.78 116.57 119.70 3i3j h LYS 1103Ca 0.02 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 3i3j h LYS 1103Cb 1.10 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.64 3i3j h LYS 1103CO 0.11 0.29 -0.06 -0.09 -3.45 0.00 0.00 179.45 176.25 3i3j h ARG 1104N 0.22 -0.02 -0.84 1.90 9.65 -1.11 0.75 114.38 124.92 3i3j h ARG 1104Ca 0.07 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3i3j h ARG 1104Cb 0.09 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 3i3j h ARG 1104CO -0.01 -0.01 0.52 0.87 2.80 0.00 0.00 179.97 184.14 3i3j h LYS 1105N -0.02 1.13 -0.71 0.20 1.57 -1.14 0.12 116.57 117.73 3i3j h LYS 1105Ca 0.10 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3i3j h LYS 1105Cb 0.16 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3i3j h LYS 1105CO -0.21 0.78 0.17 1.25 -0.57 0.00 0.00 179.45 180.87 3i3j h LEU 1106N 1.16 1.09 -0.32 2.94 5.85 -0.76 0.85 115.31 126.11 3i3j h LEU 1106Ca 0.31 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3i3j h LEU 1106Cb -0.08 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.66 3i3j h LEU 1106CO -0.06 1.04 -0.32 0.44 -0.34 0.00 0.00 178.44 179.20 3i3j h ASP 1107N 1.08 0.85 -0.07 1.25 3.32 0.05 -3.20 116.42 119.70 3i3j h ASP 1107Ca 0.22 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3i3j h ASP 1107Cb 0.38 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3i3j h ASP 1107CO 0.00 1.14 0.00 0.35 -1.72 0.00 0.00 179.24 179.02 3i3j n THR 1108N -4.19 0.09 -1.78 0.35 -2.24 -0.05 -4.88 114.28 101.58 3i3j n THR 1108Ca -0.03 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3i3j n THR 1108Cb 0.50 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.93 0.45 0.02 3.38 0.00 -1.06 -4.92 105.19 104.00 3i3j n GLY 1109Ca 0.15 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.22 0.50 -3.67 1.61 7.27 0.27 -4.59 117.38 116.55 3i3j n GLN 1110Ca -0.10 -0.04 -0.37 0.00 0.07 0.00 0.00 57.00 56.56 3i3j n GLN 1110Cb 0.46 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.52 3.15 0.03 3.69 2.02 -1.25 -4.96 117.35 117.51 3i3j s TYR 1111Ca 0.30 -0.21 0.10 0.00 -0.37 0.00 0.00 57.07 56.89 3i3j s TYR 1111Cb 0.20 -2.32 -0.21 0.00 -0.40 0.00 0.00 41.96 39.24 3i3j s TYR 1111CO 0.46 -0.29 0.99 1.96 -1.57 0.00 0.00 175.55 177.11 3i3j h GLN 1112N 8.31 0.00 -3.92 -0.62 1.08 -1.95 -3.47 115.11 114.53 3i3j h GLN 1112Ca -0.36 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.67 3i3j h GLN 1112Cb 1.18 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.40 3i3j h GLN 1112CO 0.57 0.73 -0.68 -1.21 -0.95 0.00 0.00 178.83 177.30 3i3j s GLU 1113N -2.67 0.33 0.23 1.46 2.02 -1.26 -4.33 118.70 114.47 3i3j s GLU 1113Ca -0.02 -0.58 -0.08 0.00 0.02 0.00 0.00 54.97 54.31 3i3j s GLU 1113Cb 0.09 0.12 0.37 0.00 0.10 0.00 0.00 34.13 34.81 3i3j s GLU 1113CO 0.82 -0.06 1.68 -1.35 0.02 0.00 0.00 175.26 176.37 3i3j h PRO 1114N 4.61 0.20 -0.17 0.39 0.11 -2.00 -1.86 132.00 133.28 3i3j h PRO 1114Ca -0.32 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.83 3i3j h PRO 1114Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3i3j h PRO 1114CO 0.41 0.13 0.13 0.11 -0.21 0.00 0.00 178.00 178.57 3i3j h TRP 1115N 0.20 0.00 -0.78 0.65 5.08 -1.99 0.11 115.95 119.23 3i3j h TRP 1115Ca 0.36 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.31 3i3j h TRP 1115Cb 0.59 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.72 3i3j h TRP 1115CO -0.30 0.00 0.40 1.96 -1.28 0.00 0.00 178.44 179.21 3i3j h GLN 1116N 0.00 1.09 -0.02 0.12 4.20 -1.77 0.55 115.11 119.28 3i3j h GLN 1116Ca 0.08 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3i3j h GLN 1116Cb 0.34 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3i3j h GLN 1116CO -0.00 0.82 -0.05 -0.92 -0.67 0.00 0.00 178.83 178.01 3i3j h TYR 1117N 1.09 0.10 -0.75 2.96 3.20 -0.89 -2.81 116.97 119.87 3i3j h TYR 1117Ca 0.27 -0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.23 3i3j h TYR 1117Cb 0.07 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.24 3i3j h TYR 1117CO 0.01 0.63 0.34 0.28 -1.64 0.00 0.00 178.16 177.78 3i3j h VAL 1118N -0.46 0.75 -0.84 1.81 2.07 -1.25 -1.06 116.25 117.26 3i3j h VAL 1118Ca 0.00 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3i3j h VAL 1118Cb 0.62 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3i3j h VAL 1118CO 0.01 0.10 0.55 0.44 0.02 0.00 0.00 177.57 178.69 3i3j h ASP 1119N 0.54 0.90 -0.27 0.57 5.19 -0.84 -0.78 116.42 121.72 3i3j h ASP 1119Ca 0.39 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.69 3i3j h ASP 1119Cb 0.52 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 3i3j h ASP 1119CO -0.34 0.62 -0.26 0.44 -3.12 0.00 0.00 179.24 176.58 3i3j h ASP 1120N 1.04 0.70 -0.25 6.45 3.32 -0.98 -0.52 116.42 126.18 3i3j h ASP 1120Ca 0.34 -0.47 0.06 0.00 0.02 0.00 0.00 57.03 56.98 3i3j h ASP 1120Cb 0.04 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 3i3j h ASP 1120CO -0.10 1.02 -0.15 0.40 -1.72 0.00 0.00 179.24 178.69 3i3j h ILE 1121N 0.39 0.57 -0.14 0.35 1.08 -0.70 -1.21 117.51 117.85 3i3j h ILE 1121Ca 0.05 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.43 3i3j h ILE 1121Cb 0.82 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 3i3j h ILE 1121CO 0.06 0.00 -0.29 -0.50 -0.69 0.00 0.00 178.15 176.73 3i3j h TRP 1122N -0.13 0.29 -0.57 1.37 4.06 -1.08 -2.09 115.95 117.80 3i3j h TRP 1122Ca 0.14 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 61.00 3i3j h TRP 1122Cb 0.33 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 3i3j h TRP 1122CO -0.32 0.53 0.24 1.25 -3.56 0.00 0.00 178.44 176.58 3i3j h LEU 1123N 0.23 0.78 -0.06 -4.49 5.85 -0.67 0.20 115.31 117.15 3i3j h LEU 1123Ca 0.03 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3i3j h LEU 1123Cb 0.64 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3i3j h LEU 1123CO 0.05 0.72 -0.01 -0.03 -0.34 0.00 0.00 178.44 178.83 3i3j h MET 1124N 0.78 0.01 0.21 1.25 4.05 -0.82 -1.05 114.93 119.36 3i3j h MET 1124Ca 0.19 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3i3j h MET 1124Cb 0.18 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3i3j h MET 1124CO -0.02 0.01 -0.10 0.74 0.23 0.00 0.00 176.91 177.76 3i3j h PHE 1125N 0.01 -0.27 -0.43 1.39 0.04 -0.99 -2.70 116.94 113.99 3i3j h PHE 1125Ca 0.03 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3i3j h PHE 1125Cb 0.04 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3i3j h PHE 1125CO -0.11 -0.17 0.25 -0.91 -0.60 0.00 0.00 178.31 176.77 3i3j h ASN 1126N -0.29 0.51 -0.63 2.17 2.35 -0.58 -0.74 115.58 118.38 3i3j h ASN 1126Ca -0.03 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3i3j h ASN 1126Cb 0.22 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 3i3j h ASN 1126CO 0.04 0.41 0.36 0.78 -1.65 0.00 0.00 177.43 177.37 3i3j h ASN 1127N 0.59 0.55 -0.01 5.81 2.35 -1.00 -0.29 115.58 123.58 3i3j h ASN 1127Ca 0.16 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3i3j h ASN 1127Cb -0.00 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 3i3j h ASN 1127CO -0.03 0.37 -0.01 0.00 -1.65 0.00 0.00 177.43 176.11 3i3j h ALA 1128N 1.31 0.01 -0.66 -0.83 0.00 -0.94 -0.51 119.26 117.64 3i3j h ALA 1128Ca 0.27 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i3j h ALA 1128Cb 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3i3j h ALA 1128CO -0.15 -0.26 0.44 -1.49 0.00 0.00 0.00 179.25 177.79 3i3j h TRP 1129N -0.41 0.74 0.02 0.00 6.55 -1.16 0.03 115.95 121.72 3i3j h TRP 1129Ca 0.00 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 3i3j h TRP 1129Cb 0.45 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 3i3j h TRP 1129CO 0.08 0.42 -0.01 1.25 -1.05 0.00 0.00 178.44 179.13 3i3j h LEU 1130N 0.76 -0.02 -0.04 -4.49 5.85 -0.89 -3.35 115.31 113.14 3i3j h LEU 1130Ca 0.27 -0.46 -0.24 0.00 0.84 0.00 0.00 57.88 58.29 3i3j h LEU 1130Cb 0.12 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3i3j h LEU 1130CO -0.08 0.46 -1.07 0.22 -0.34 0.00 0.00 178.44 177.63 3i3j h TYR 1131N -0.50 0.41 -3.00 1.25 3.20 -0.82 -3.46 116.97 114.05 3i3j h TYR 1131Ca -0.00 -0.27 -0.61 0.00 3.14 0.00 0.00 58.73 60.99 3i3j h TYR 1131Cb 0.48 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 3i3j h TYR 1131CO 0.09 1.15 -0.25 -0.80 -1.64 0.00 0.00 178.16 176.71 3i3j s ASN 1132N -7.03 6.70 0.39 -2.11 0.01 -0.03 -5.06 114.94 107.81 3i3j s ASN 1132Ca -0.03 0.85 -0.27 0.00 -0.71 0.00 0.00 52.86 52.69 3i3j s ASN 1132Cb 0.08 -2.20 -0.10 0.00 0.41 0.00 0.00 41.25 39.44 3i3j s ASN 1132CO 0.86 0.29 1.44 0.00 -1.51 0.00 0.00 177.10 178.18 3i3j s ARG 1133N -1.35 4.01 0.39 -0.60 1.70 -1.26 -4.80 118.95 117.05 3i3j s ARG 1133Ca 0.26 2.47 0.25 0.00 -0.47 0.00 0.00 55.73 58.24 3i3j s ARG 1133Cb -0.15 -2.88 1.35 0.00 -0.57 0.00 0.00 34.95 32.69 3i3j s ARG 1133CO 0.14 -0.58 1.75 1.57 -1.08 0.00 0.00 175.30 177.10 3i3j h LYS 1134N 2.83 0.00 -0.40 3.89 -0.00 -1.97 0.16 116.57 121.08 3i3j h LYS 1134Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 3i3j h LYS 1134Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3i3j h LYS 1134CO 0.63 0.00 0.00 0.25 -0.00 0.00 0.00 179.45 180.33 3i3j n THR 1135N -2.39 0.52 -2.60 0.07 -2.24 -1.26 -4.71 114.28 101.66 3i3j n THR 1135Ca -0.02 -0.76 -0.31 0.00 -2.27 0.00 0.00 64.05 60.70 3i3j n THR 1135Cb 0.09 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.47 6.53 0.11 3.42 1.04 0.54 -4.98 113.70 118.89 3i3j s SER 1136Ca 0.39 1.31 -0.25 0.00 0.48 0.00 0.00 55.95 57.88 3i3j s SER 1136Cb 0.23 -2.40 -0.08 0.00 0.10 0.00 0.00 66.02 63.87 3i3j s SER 1136CO 0.32 -0.51 1.67 -0.09 0.98 0.00 0.00 173.24 175.61 3i3j h ARG 1137N 0.97 -0.30 -0.59 4.02 2.43 -1.94 -2.49 114.38 116.49 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 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 3i3j h ARG 1137CO 0.63 -0.20 0.25 0.28 -1.51 0.00 0.00 179.97 179.42 3i3j h VAL 1138N -0.31 0.84 -0.58 0.20 2.07 -1.94 0.65 116.25 117.18 3i3j h VAL 1138Ca 0.04 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.49 3i3j h VAL 1138Cb 0.35 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 3i3j h VAL 1138CO -0.12 0.08 0.19 0.22 0.02 0.00 0.00 177.57 177.96 3i3j h TYR 1139N 0.46 0.33 -0.27 1.57 3.20 -1.76 0.16 116.97 120.66 3i3j h TYR 1139Ca 0.28 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 62.00 3i3j h TYR 1139Cb 0.29 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3i3j h TYR 1139CO -0.14 0.07 -0.55 0.87 -1.64 0.00 0.00 178.16 176.77 3i3j h LYS 1140N 0.36 0.86 -0.43 1.82 6.56 -0.88 -1.74 116.57 123.12 3i3j h LYS 1140Ca 0.29 -0.56 0.07 0.00 -1.06 0.00 0.00 60.65 59.39 3i3j h LYS 1140Cb 0.37 0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.04 3i3j h LYS 1140CO -0.31 1.19 0.07 1.88 -2.06 0.00 0.00 179.45 180.22 3i3j h TYR 1141N 0.63 0.12 -0.39 -1.35 -1.99 -0.68 -1.68 116.97 111.64 3i3j h TYR 1141Ca 0.01 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.83 3i3j h TYR 1141Cb 1.17 0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.85 3i3j h TYR 1141CO 0.08 -0.01 0.05 0.00 -0.00 0.00 0.00 178.16 178.28 3i3j h SER 1143N 0.16 0.64 -0.15 0.00 0.02 -0.86 -0.11 113.55 113.26 3i3j h SER 1143Ca 0.19 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3i3j h SER 1143Cb 0.24 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3i3j h SER 1143CO -0.27 0.43 0.06 0.50 -1.14 0.00 0.00 176.83 176.40 3i3j h LYS 1144N 0.78 0.13 -0.58 3.45 1.63 -0.52 -1.51 116.57 119.94 3i3j h LYS 1144Ca 0.29 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.15 3i3j h LYS 1144Cb 0.11 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.65 3i3j h LYS 1144CO -0.14 0.08 0.29 -0.07 -3.45 0.00 0.00 179.45 176.15 3i3j h LEU 1145N 0.13 0.39 -0.63 5.20 3.38 -0.64 -1.13 115.31 122.01 3i3j h LEU 1145Ca 0.06 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.21 3i3j h LEU 1145Cb 0.03 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 3i3j h LEU 1145CO -0.06 0.25 -0.02 -1.28 0.09 0.00 0.00 178.44 177.42 3i3j h SER 1146N 0.53 -0.33 -0.48 -0.43 0.87 -0.60 0.19 113.55 113.30 3i3j h SER 1146Ca 0.27 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.90 3i3j h SER 1146Cb 0.22 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3i3j h SER 1146CO -0.21 -0.14 -0.03 -0.33 -0.53 0.00 0.00 176.83 175.60 3i3j h GLU 1147N 0.10 0.93 -0.09 2.24 5.08 -0.45 -1.97 114.58 120.41 3i3j h GLU 1147Ca 0.33 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3i3j h GLU 1147Cb 0.53 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3i3j h GLU 1147CO -0.56 0.94 0.03 0.28 -1.00 0.00 0.00 179.01 178.70 3i3j h VAL 1148N 0.85 1.18 -0.40 3.13 2.07 -0.31 -2.96 116.25 119.81 3i3j h VAL 1148Ca 0.15 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.20 3i3j h VAL 1148Cb 0.55 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3i3j h VAL 1148CO 0.03 0.16 -0.02 0.15 0.02 0.00 0.00 177.57 177.91 3i3j h PHE 1149N -0.05 -0.06 -0.81 1.57 3.57 -0.51 -1.59 116.94 119.06 3i3j h PHE 1149Ca 0.03 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.63 3i3j h PHE 1149Cb 0.23 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 3i3j h PHE 1149CO -0.00 -0.10 0.48 0.93 -2.23 0.00 0.00 178.31 177.40 3i3j h GLU 1150N 0.09 0.84 -0.36 1.11 5.08 -1.29 0.33 114.58 120.37 3i3j h GLU 1150Ca 0.20 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3i3j h GLU 1150Cb 0.29 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3i3j h GLU 1150CO -0.35 0.56 -0.15 1.96 -1.00 0.00 0.00 179.01 180.03 3i3j h GLN 1151N 0.86 0.65 -0.04 2.33 4.20 -1.31 -3.21 115.11 118.60 3i3j h GLN 1151Ca 0.37 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3i3j h GLN 1151Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3i3j h GLN 1151CO -0.19 0.78 -0.11 0.93 -0.67 0.00 0.00 178.83 179.57 3i3j h GLU 1152N 0.59 0.14 -0.00 1.46 4.39 -0.10 -3.39 114.58 117.67 3i3j h GLU 1152Ca 0.10 -0.10 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 3i3j h GLU 1152Cb 0.59 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3i3j h GLU 1152CO 0.04 0.71 -0.84 0.97 -1.16 0.00 0.00 179.01 178.73 3i3j h ILE 1153N -0.40 1.51 0.22 3.13 6.09 -0.48 -3.35 117.51 124.22 3i3j h ILE 1153Ca -0.00 -2.62 0.01 0.00 -1.37 0.00 0.00 64.86 60.88 3i3j h ILE 1153Cb 0.72 2.45 -0.03 0.00 0.47 0.00 0.00 36.82 40.43 3i3j h ILE 1153CO 0.02 0.76 -0.32 0.44 -3.07 0.00 0.00 178.15 175.98 3i3j h ASP 1154N 0.08 -0.90 -0.27 2.19 5.19 -1.74 -0.74 116.42 120.24 3i3j h ASP 1154Ca -0.03 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 3i3j h ASP 1154Cb 1.46 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 41.28 3i3j h ASP 1154CO 0.12 -0.43 0.09 -0.65 -3.12 0.00 0.00 179.24 175.25 3i3j h PRO 1155N -0.61 0.49 -0.38 3.56 0.11 -1.82 -2.78 132.00 130.57 3i3j h PRO 1155Ca 0.01 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3i3j h PRO 1155Cb 0.59 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3i3j h PRO 1155CO -0.13 0.44 -0.09 0.28 -0.21 0.00 0.00 178.00 178.29 3i3j h VAL 1156N 0.48 1.28 -0.60 3.15 2.07 -1.56 -2.86 116.25 118.20 3i3j h VAL 1156Ca 0.12 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 3i3j h VAL 1156Cb 0.17 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3i3j h VAL 1156CO -0.01 0.39 0.16 0.24 0.02 0.00 0.00 177.57 178.37 3i3j h MET 1157N 0.53 0.93 -0.72 1.57 2.86 -0.90 -2.59 114.93 116.62 3i3j h MET 1157Ca 0.10 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3i3j h MET 1157Cb 0.61 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 3i3j h MET 1157CO 0.04 0.82 0.47 1.96 1.06 0.00 0.00 176.91 181.26 3i3j h GLN 1158N 0.90 0.94 0.00 1.72 7.50 -1.41 -1.54 115.11 123.22 3i3j h GLN 1158Ca 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.29 3i3j h GLN 1158Cb 0.30 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.62 3i3j h GLN 1158CO -0.00 0.63 0.00 0.43 -1.50 0.00 0.00 178.83 178.38 3i3j n SER 1159N -4.58 0.53 -0.76 1.46 7.64 -0.99 -5.14 113.62 111.78 3i3j n SER 1159Ca 0.06 0.66 0.09 0.00 1.01 0.00 0.00 58.87 60.70 3i3j n SER 1159Cb 0.02 -0.76 0.08 0.00 -1.01 0.00 0.00 64.21 62.54 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21