#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3j s ILE 1048N 0.00 4.66 -0.23 3.15 -5.25 -1.26 -5.05 121.20 117.21 3i3j s ILE 1048Ca 0.00 -0.09 -0.05 0.00 -0.99 0.00 0.00 60.65 59.52 3i3j s ILE 1048Cb 0.00 -3.05 -0.01 0.00 2.95 0.00 0.00 42.46 42.35 3i3j s ILE 1048CO 0.00 0.52 -0.00 -0.36 -1.79 0.00 0.00 174.94 173.31 3i3j s PHE 1049N -0.13 3.01 0.12 1.37 0.08 -1.26 -5.08 117.98 116.10 3i3j s PHE 1049Ca 0.06 -0.82 -0.31 0.00 0.12 0.00 0.00 56.93 55.98 3i3j s PHE 1049Cb -0.12 -2.15 -0.09 0.00 -0.57 0.00 0.00 43.02 40.08 3i3j s PHE 1049CO 0.01 -0.50 1.65 -1.59 -0.10 0.00 0.00 175.22 174.69 3i3j s LYS 1050N 1.51 4.19 0.43 0.44 -2.85 -1.26 -4.88 119.74 117.33 3i3j s LYS 1050Ca 0.06 2.40 0.20 0.00 -1.00 0.00 0.00 55.97 57.62 3i3j s LYS 1050Cb -0.15 -3.39 1.16 0.00 -2.06 0.00 0.00 37.83 33.39 3i3j s LYS 1050CO -0.01 -0.70 1.83 -1.35 0.10 0.00 0.00 175.35 175.22 3i3j h PRO 1051N 7.66 0.33 0.02 1.78 0.11 -1.95 0.14 132.00 140.09 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 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3i3j h PRO 1051CO 0.93 0.22 -0.97 1.49 -0.21 0.00 0.00 178.00 179.45 3i3j h GLU 1052N 0.34 0.09 -0.65 1.05 4.57 -1.97 -1.84 114.58 116.18 3i3j h GLU 1052Ca 0.51 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.49 3i3j h GLU 1052Cb 1.40 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.01 3i3j h GLU 1052CO -0.19 0.99 0.10 1.49 -1.18 0.00 0.00 179.01 180.22 3i3j h GLU 1053N 0.04 1.06 0.39 1.92 4.81 -1.13 -1.48 114.58 120.20 3i3j h GLU 1053Ca -0.04 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3i3j h GLU 1053Cb 1.67 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.93 3i3j h GLU 1053CO 0.14 0.97 -0.19 -0.07 -0.73 0.00 0.00 179.01 179.13 3i3j h LEU 1054N 1.00 -0.45 -0.70 1.64 3.38 -1.32 -2.71 115.31 116.15 3i3j h LEU 1054Ca 0.20 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.20 3i3j h LEU 1054Cb 0.43 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 3i3j h LEU 1054CO 0.01 -0.12 0.20 -0.09 0.09 0.00 0.00 178.44 178.54 3i3j h ARG 1055N -0.81 0.31 -0.50 1.13 2.43 -1.28 0.52 114.38 116.17 3i3j h ARG 1055Ca -0.05 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3i3j h ARG 1055Cb 0.54 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3i3j h ARG 1055CO 0.09 0.20 0.01 0.37 -1.51 0.00 0.00 179.97 179.13 3i3j h GLN 1056N 0.32 0.84 0.16 0.20 4.15 -1.29 -0.97 115.11 118.53 3i3j h GLN 1056Ca 0.39 -0.23 -0.30 0.00 0.77 0.00 0.00 58.65 59.27 3i3j h GLN 1056Cb 0.62 -0.10 0.03 0.00 0.21 0.00 0.00 27.48 28.24 3i3j h GLN 1056CO -0.45 0.84 -1.29 0.00 -1.93 0.00 0.00 178.83 176.00 3i3j h ALA 1057N 1.22 -0.06 0.05 3.38 0.00 -0.91 -3.38 119.26 119.55 3i3j h ALA 1057Ca 0.15 -0.79 -0.28 0.00 0.00 0.00 0.00 54.91 53.98 3i3j h ALA 1057Cb 0.46 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3i3j h ALA 1057CO 0.02 0.66 -1.52 -0.07 0.00 0.00 0.00 179.25 178.34 3i3j h LEU 1058N 0.20 0.17 -0.76 0.00 3.38 -0.91 -3.39 115.31 114.00 3i3j h LEU 1058Ca -0.21 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.60 3i3j h LEU 1058Cb 1.98 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.60 3i3j h LEU 1058CO 0.25 1.22 0.41 -0.03 0.09 0.00 0.00 178.44 180.38 3i3j h MET 1059N 0.03 0.66 -0.77 1.13 4.05 -1.35 -0.62 114.93 118.06 3i3j h MET 1059Ca -0.22 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.24 3i3j h MET 1059Cb 1.96 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 32.56 3i3j h MET 1059CO 0.12 0.44 0.50 -1.35 0.23 0.00 0.00 176.91 176.85 3i3j h PRO 1060N 0.68 0.73 -0.13 0.39 0.11 -1.78 0.20 132.00 132.21 3i3j h PRO 1060Ca 0.37 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 3i3j h PRO 1060Cb 0.37 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3i3j h PRO 1060CO -0.26 0.48 -0.37 1.79 -0.21 0.00 0.00 178.00 179.43 3i3j h THR 1061N 0.75 1.29 -0.09 -1.15 1.35 -1.36 -1.36 112.91 112.35 3i3j h THR 1061Ca 0.34 -1.44 -0.20 0.00 -0.55 0.00 0.00 66.41 64.57 3i3j h THR 1061Cb 0.36 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3i3j h THR 1061CO -0.12 0.43 -0.77 0.25 -0.25 0.00 0.00 175.52 175.06 3i3j h LEU 1062N 0.23 0.62 -0.79 3.87 5.85 -0.68 -3.04 115.31 121.36 3i3j h LEU 1062Ca 0.02 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3i3j h LEU 1062Cb 0.77 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3i3j h LEU 1062CO 0.06 1.18 0.29 -0.33 -0.34 0.00 0.00 178.44 179.30 3i3j h GLU 1063N 0.34 1.19 -0.93 1.25 5.08 -0.40 -1.64 114.58 119.47 3i3j h GLU 1063Ca -0.04 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3i3j h GLU 1063Cb 1.37 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 3i3j h GLU 1063CO 0.14 0.98 0.62 0.00 -1.00 0.00 0.00 179.01 179.74 3i3j h ALA 1064N 1.16 1.37 -0.30 3.43 0.00 -1.21 0.49 119.26 124.20 3i3j h ALA 1064Ca 0.26 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3i3j h ALA 1064Cb 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i3j h ALA 1064CO -0.02 0.55 -0.27 -0.07 0.00 0.00 0.00 179.25 179.45 3i3j h LEU 1065N 1.21 0.75 -1.04 0.00 3.38 -1.39 -3.05 115.31 115.18 3i3j h LEU 1065Ca 0.36 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3i3j h LEU 1065Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3i3j h LEU 1065CO -0.10 1.06 0.08 0.22 0.09 0.00 0.00 178.44 179.79 3i3j h TYR 1066N 0.46 0.79 -0.00 1.13 3.20 -0.67 -2.30 116.97 119.58 3i3j h TYR 1066Ca 0.05 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3i3j h TYR 1066Cb 0.84 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3i3j h TYR 1066CO 0.07 0.70 -0.01 0.54 -1.64 0.00 0.00 178.16 177.82 3i3j n ARG 1067N -4.26 0.96 -2.27 1.82 1.74 0.10 -4.71 116.66 110.04 3i3j n ARG 1067Ca 0.03 -0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.55 3i3j n ARG 1067Cb 0.24 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.13 3.46 -0.12 5.56 -1.52 -0.87 -4.99 119.66 119.06 3i3j s GLN 1068Ca 0.42 0.98 0.02 0.00 -1.95 0.00 0.00 55.36 54.83 3i3j s GLN 1068Cb 0.21 -4.08 -0.01 0.00 -0.22 0.00 0.00 33.01 28.91 3i3j s GLN 1068CO 0.39 -1.71 -0.19 0.34 -0.25 0.00 0.00 175.29 173.87 3i3j s ASP 1069N 4.58 3.50 0.00 5.90 2.15 -1.26 -1.00 116.67 130.53 3i3j s ASP 1069Ca 0.64 -0.46 0.28 0.00 0.43 0.00 0.00 52.55 53.44 3i3j s ASP 1069Cb -0.15 -1.50 0.97 0.00 -0.30 0.00 0.00 42.92 41.94 3i3j s ASP 1069CO 0.32 0.16 1.70 -0.81 -0.17 0.00 0.00 175.17 176.36 3i3j n PRO 1070N 3.57 1.36 -0.33 4.34 -0.04 -1.26 -4.98 135.00 137.66 3i3j n PRO 1070Ca -0.19 -0.78 0.08 0.00 -0.04 0.00 0.00 63.50 62.57 3i3j n PRO 1070Cb 0.53 -1.48 0.24 0.00 -0.04 0.00 0.00 33.50 32.75 3i3j n PRO 1070CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i3j h GLU 1071N 1.90 0.80 0.00 0.54 3.07 -1.90 -1.78 114.58 117.20 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 0.49 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3i3j h GLU 1071CO 0.00 0.53 0.00 -1.13 -1.40 0.00 0.00 179.01 177.01 3i3j n SER 1072N -4.73 0.62 -0.23 1.42 3.41 -0.17 -4.12 113.62 109.82 3i3j n SER 1072Ca 0.19 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 59.37 3i3j n SER 1072Cb 0.41 -0.74 0.06 0.00 -0.26 0.00 0.00 64.21 63.67 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 -0.80 0.00 1.04 3.38 -1.52 0.11 115.31 117.52 3i3j h LEU 1073Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i3j h LEU 1073Cb 0.58 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i3j h LEU 1073CO 0.00 -0.25 0.00 -2.65 0.09 0.00 0.00 178.44 175.63 3i3j n PRO 1074N -5.46 0.02 -0.21 1.13 -0.02 -1.26 -3.03 135.00 126.17 3i3j n PRO 1074Ca 0.08 0.30 0.06 0.00 -2.02 0.00 0.00 63.50 61.92 3i3j n PRO 1074Cb 0.36 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.47 0.50 0.26 6.00 3.72 0.37 -4.63 117.46 122.20 3i3j n PHE 1075Ca 0.03 -0.62 0.12 0.00 -0.05 0.00 0.00 57.45 56.92 3i3j n PHE 1075Cb 0.12 -0.11 0.05 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.57 0.00 -4.50 -1.08 3.08 -1.45 0.12 114.38 112.11 3i3j h ARG 1076Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3i3j h ARG 1076Cb 0.90 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.76 3i3j h ARG 1076CO 0.06 0.00 -0.72 1.14 -1.07 0.00 0.00 179.97 179.38 3i3j s GLN 1077N -3.30 0.60 0.58 0.04 0.00 -1.26 -3.68 119.66 112.65 3i3j s GLN 1077Ca 0.02 -0.94 -0.19 0.00 -0.00 0.00 0.00 55.36 54.24 3i3j s GLN 1077Cb 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 33.01 32.88 3i3j s GLN 1077CO 0.77 0.01 1.09 -2.30 0.00 0.00 0.00 175.29 174.86 3i3j n PRO 1078N 0.94 1.11 -2.43 9.60 -0.02 -1.26 -4.86 135.00 138.09 3i3j n PRO 1078Ca -0.19 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3i3j n PRO 1078Cb 0.57 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.43 3.85 -0.52 -1.45 1.01 -1.26 -5.01 120.40 115.59 3i3j s VAL 1079Ca 0.75 1.45 0.01 0.00 0.00 0.00 0.00 61.98 64.19 3i3j s VAL 1079Cb -0.42 -3.93 0.13 0.00 0.00 0.00 0.00 36.38 32.16 3i3j s VAL 1079CO 0.47 0.18 0.28 -0.62 0.00 0.00 0.00 175.10 175.42 3i3j s ASP 1080N 0.50 4.75 0.46 3.32 -1.08 -1.26 -4.96 116.67 118.40 3i3j s ASP 1080Ca 0.55 -2.76 0.13 0.00 -0.52 0.00 0.00 52.55 49.94 3i3j s ASP 1080Cb -0.30 -1.72 1.08 0.00 -1.46 0.00 0.00 42.92 40.51 3i3j s ASP 1080CO 0.33 -0.32 2.08 -0.65 0.52 0.00 0.00 175.17 177.12 3i3j h PRO 1081N 6.95 0.27 0.71 4.34 0.11 -1.95 -0.89 132.00 141.55 3i3j h PRO 1081Ca -0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3i3j h PRO 1081Cb 0.94 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3i3j h PRO 1081CO 0.67 0.18 -0.39 1.96 -0.21 0.00 0.00 178.00 180.21 3i3j h GLN 1082N 0.28 -0.98 -0.21 1.05 4.20 -1.93 -0.85 115.11 116.67 3i3j h GLN 1082Ca 0.12 0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.90 3i3j h GLN 1082Cb 0.13 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3i3j h GLN 1082CO -0.02 -0.66 0.13 -0.07 -0.67 0.00 0.00 178.83 177.54 3i3j h LEU 1083N -1.02 0.22 -0.26 1.46 3.38 -1.89 -2.78 115.31 114.42 3i3j h LEU 1083Ca -0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3i3j h LEU 1083Cb 0.80 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i3j h LEU 1083CO 0.13 0.16 0.00 0.18 0.09 0.00 0.00 178.44 179.00 3i3j n LEU 1084N -4.96 0.36 -2.66 1.67 4.77 -0.38 -4.91 117.00 110.90 3i3j n LEU 1084Ca -0.03 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 3i3j n LEU 1084Cb 0.03 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.68 3i3j n LEU 1084CO 0.33 -0.32 0.12 0.61 -1.33 0.00 0.00 177.39 176.80 3i3j n GLY 1085N 0.39 -0.10 2.33 -0.72 0.00 -0.70 -5.00 105.19 101.38 3i3j n GLY 1085Ca 0.04 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.65 0.55 -0.06 -0.61 -5.35 -0.41 -4.98 119.36 104.85 3i3j n ILE 1086Ca -0.11 -4.48 0.19 0.00 -0.27 0.00 0.00 62.75 58.09 3i3j n ILE 1086Cb 0.58 -2.00 0.63 0.00 -1.74 0.00 0.00 39.64 37.11 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 4.24 0.13 -0.00 6.28 0.11 -1.94 -1.51 132.00 139.30 3i3j h PRO 1087Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3i3j h PRO 1087Cb 0.79 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3i3j h PRO 1087CO 0.61 0.09 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3i3j n ASP 1088N -4.40 0.05 -0.20 -2.05 5.75 -1.26 -4.10 116.55 110.34 3i3j n ASP 1088Ca 0.12 -0.79 -0.00 0.00 -0.01 0.00 0.00 54.79 54.10 3i3j n ASP 1088Cb 0.60 -0.07 0.10 0.00 -1.03 0.00 0.00 41.12 40.72 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 0.07 0.34 0.00 2.11 3.20 -1.67 -1.72 116.97 119.29 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 0.09 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3i3j h TYR 1089CO 0.00 0.07 0.00 0.74 -1.64 0.00 0.00 178.16 177.33 3i3j h PHE 1090N 0.37 0.00 -0.26 -3.82 0.04 -1.79 0.28 116.94 111.75 3i3j h PHE 1090Ca 0.30 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.98 3i3j h PHE 1090Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3i3j h PHE 1090CO -0.18 0.00 -0.23 -0.44 -0.60 0.00 0.00 178.31 176.86 3i3j h ASP 1091N 0.00 0.49 0.04 2.17 3.32 -1.58 -3.35 116.42 117.52 3i3j h ASP 1091Ca 0.00 -0.16 -0.33 0.00 0.02 0.00 0.00 57.03 56.56 3i3j h ASP 1091Cb 0.77 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 3i3j h ASP 1091CO 0.00 0.72 -1.87 -0.38 -1.72 0.00 0.00 179.24 175.98 3i3j n ILE 1092N -4.14 1.62 -3.43 0.35 2.08 -0.87 -4.82 119.36 110.15 3i3j n ILE 1092Ca -0.00 -0.37 -0.44 0.00 0.56 0.00 0.00 62.75 62.50 3i3j n ILE 1092Cb 0.39 -1.83 -0.07 0.00 -0.75 0.00 0.00 39.64 37.37 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 4.91 -0.04 1.39 1.01 0.92 -4.94 120.40 121.17 3i3j s VAL 1093Ca -0.29 -1.33 0.12 0.00 0.00 0.00 0.00 61.98 60.48 3i3j s VAL 1093Cb 0.08 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3i3j s VAL 1093CO 0.64 -0.66 1.22 0.11 0.00 0.00 0.00 175.10 176.41 3i3j h LYS 1094N 8.69 0.00 -2.80 2.72 1.79 -1.86 -3.40 116.57 121.71 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 31.34 3i3j h LYS 1094CO 0.90 0.65 -0.74 -1.12 -1.08 0.00 0.00 179.45 178.06 3i3j s SER 1095N -6.42 3.45 0.31 0.86 0.01 -1.26 -5.11 113.70 105.54 3i3j s SER 1095Ca 0.01 -3.49 -0.28 0.00 1.31 0.00 0.00 55.95 53.50 3i3j s SER 1095Cb 0.09 -1.14 -0.13 0.00 0.21 0.00 0.00 66.02 65.05 3i3j s SER 1095CO 0.79 -0.13 1.23 -2.65 0.41 0.00 0.00 173.24 172.90 3i3j n PRO 1096N 2.39 1.91 -3.86 12.44 -0.02 -1.26 -4.91 135.00 141.69 3i3j n PRO 1096Ca 0.23 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.28 3i3j n PRO 1096Cb 0.40 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.59 0.66 0.29 -0.52 1.75 -1.26 -5.05 119.30 113.58 3i3j s MET 1097Ca 0.58 -0.63 -0.20 0.00 -1.25 0.00 0.00 55.69 54.20 3i3j s MET 1097Cb -0.62 0.27 0.04 0.00 2.84 0.00 0.00 34.83 37.37 3i3j s MET 1097CO 0.60 -0.18 0.81 0.16 -0.65 0.00 0.00 175.02 175.76 3i3j s ASP 1098N -2.02 -0.13 0.27 1.11 -4.77 -1.26 -4.72 116.67 105.15 3i3j s ASP 1098Ca -0.06 -0.78 -0.01 0.00 -3.30 0.00 0.00 52.55 48.40 3i3j s ASP 1098Cb -0.02 0.72 0.38 0.00 -1.09 0.00 0.00 42.92 42.91 3i3j s ASP 1098CO -0.03 -1.38 1.78 -0.07 0.70 0.00 0.00 175.17 176.17 3i3j h LEU 1099N 2.00 0.72 -0.22 2.11 3.38 -1.02 -2.25 115.31 120.03 3i3j h LEU 1099Ca -0.25 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 3i3j h LEU 1099Cb 1.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i3j h LEU 1099CO 0.31 0.78 -0.31 0.77 0.09 0.00 0.00 178.44 180.08 3i3j h SER 1100N 0.71 0.66 -0.73 -0.43 4.64 -1.74 -1.16 113.55 115.51 3i3j h SER 1100Ca 0.14 -0.51 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 3i3j h SER 1100Cb 0.41 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 3i3j h SER 1100CO 0.02 1.04 0.43 0.74 -0.87 0.00 0.00 176.83 178.19 3i3j h THR 1101N 0.30 1.02 -0.47 2.95 2.02 -1.85 -0.75 112.91 116.13 3i3j h THR 1101Ca 0.02 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 3i3j h THR 1101Cb 0.89 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3i3j h THR 1101CO 0.07 0.15 -0.02 0.40 0.37 0.00 0.00 175.52 176.49 3i3j h ILE 1102N 0.81 1.24 -0.24 3.11 2.04 -1.18 -1.53 117.51 121.76 3i3j h ILE 1102Ca 0.32 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3i3j h ILE 1102Cb 0.14 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3i3j h ILE 1102CO -0.16 0.36 0.03 0.50 0.00 0.00 0.00 178.15 178.88 3i3j h LYS 1103N 0.73 0.41 -0.23 2.37 1.63 -0.59 -0.94 116.57 119.95 3i3j h LYS 1103Ca 0.14 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.87 3i3j h LYS 1103Cb 0.47 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 3i3j h LYS 1103CO 0.02 0.55 -0.02 -0.09 -3.45 0.00 0.00 179.45 176.46 3i3j h ARG 1104N 0.21 0.04 -0.41 1.90 9.65 -0.98 0.12 114.38 124.91 3i3j h ARG 1104Ca 0.07 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3i3j h ARG 1104Cb 0.34 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 3i3j h ARG 1104CO 0.01 0.03 0.12 0.87 2.80 0.00 0.00 179.97 183.79 3i3j h LYS 1105N 0.04 0.59 -0.40 0.20 1.57 -1.11 0.30 116.57 117.76 3i3j h LYS 1105Ca 0.11 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3i3j h LYS 1105Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3i3j h LYS 1105CO -0.21 0.53 -0.34 1.25 -0.57 0.00 0.00 179.45 180.11 3i3j h LEU 1106N 0.58 0.98 -0.37 2.94 5.85 -0.60 0.63 115.31 125.32 3i3j h LEU 1106Ca 0.14 -0.43 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 3i3j h LEU 1106Cb 0.19 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3i3j h LEU 1106CO -0.01 1.22 -0.26 0.44 -0.34 0.00 0.00 178.44 179.49 3i3j h ASP 1107N 0.77 0.88 -0.10 1.25 3.32 -0.00 -3.18 116.42 119.36 3i3j h ASP 1107Ca 0.07 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3i3j h ASP 1107Cb 0.92 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3i3j h ASP 1107CO 0.09 1.12 0.00 0.35 -1.72 0.00 0.00 179.24 179.08 3i3j n THR 1108N -4.20 0.13 -1.72 0.35 -2.24 0.02 -4.88 114.28 101.74 3i3j n THR 1108Ca -0.02 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 3i3j n THR 1108Cb 0.47 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.96 0.49 0.04 3.38 0.00 -1.07 -4.91 105.19 104.08 3i3j n GLY 1109Ca 0.14 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.24 0.72 -3.70 1.61 7.27 0.19 -4.57 117.38 116.66 3i3j n GLN 1110Ca -0.09 -0.08 -0.37 0.00 0.07 0.00 0.00 57.00 56.53 3i3j n GLN 1110Cb 0.42 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.46 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 -2.33 3.13 0.01 3.69 2.02 -1.25 -4.96 117.35 117.66 3i3j s TYR 1111Ca 0.36 -0.31 0.11 0.00 -0.37 0.00 0.00 57.07 56.86 3i3j s TYR 1111Cb 0.21 -2.29 -0.19 0.00 -0.40 0.00 0.00 41.96 39.29 3i3j s TYR 1111CO 0.43 -0.32 1.00 1.96 -1.57 0.00 0.00 175.55 177.04 3i3j h GLN 1112N 8.28 0.00 -3.98 -0.62 1.08 -1.95 -3.47 115.11 114.44 3i3j h GLN 1112Ca -0.37 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.66 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 0.70 -0.70 -1.21 -0.95 0.00 0.00 178.83 177.24 3i3j s GLU 1113N -2.70 0.32 0.20 1.46 2.02 -1.26 -4.36 118.70 114.38 3i3j s GLU 1113Ca -0.01 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.23 3i3j s GLU 1113Cb 0.09 0.11 0.23 0.00 0.10 0.00 0.00 34.13 34.66 3i3j s GLU 1113CO 0.82 -0.05 1.66 -1.35 0.02 0.00 0.00 175.26 176.36 3i3j h PRO 1114N 4.62 0.08 -0.34 0.39 0.11 -1.98 -1.64 132.00 133.25 3i3j h PRO 1114Ca -0.32 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.88 3i3j h PRO 1114Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3i3j h PRO 1114CO 0.41 0.05 0.33 0.11 -0.21 0.00 0.00 178.00 178.70 3i3j h TRP 1115N 0.08 0.00 -0.38 0.65 5.08 -1.99 0.67 115.95 120.06 3i3j h TRP 1115Ca 0.28 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 60.12 3i3j h TRP 1115Cb 0.44 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.59 3i3j h TRP 1115CO -0.37 0.00 -0.31 1.96 -1.28 0.00 0.00 178.44 178.44 3i3j h GLN 1116N 0.00 0.84 0.28 0.12 4.20 -1.73 0.61 115.11 119.44 3i3j h GLN 1116Ca 0.16 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3i3j h GLN 1116Cb 0.82 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3i3j h GLN 1116CO -0.00 1.03 -0.14 -0.92 -0.67 0.00 0.00 178.83 178.13 3i3j h TYR 1117N 0.71 -0.35 -0.93 2.96 3.20 -0.97 -2.81 116.97 118.78 3i3j h TYR 1117Ca 0.08 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.14 3i3j h TYR 1117Cb 0.86 0.12 -0.11 0.00 1.54 0.00 0.00 36.73 39.14 3i3j h TYR 1117CO 0.05 -0.06 0.49 0.28 -1.64 0.00 0.00 178.16 177.29 3i3j h VAL 1118N -0.64 0.60 -0.64 1.81 2.07 -1.21 0.40 116.25 118.64 3i3j h VAL 1118Ca -0.04 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3i3j h VAL 1118Cb 0.45 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3i3j h VAL 1118CO 0.06 0.10 0.23 0.44 0.02 0.00 0.00 177.57 178.43 3i3j h ASP 1119N 0.57 0.88 -0.25 0.57 5.19 -0.84 -0.89 116.42 121.65 3i3j h ASP 1119Ca 0.56 -0.13 -0.08 0.00 -0.62 0.00 0.00 57.03 56.76 3i3j h ASP 1119Cb 0.97 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 3i3j h ASP 1119CO -0.45 0.80 -0.15 0.44 -3.12 0.00 0.00 179.24 176.76 3i3j h ASP 1120N 0.93 0.56 -0.27 6.45 3.32 -0.69 -0.53 116.42 126.19 3i3j h ASP 1120Ca 0.22 -0.43 0.06 0.00 0.02 0.00 0.00 57.03 56.90 3i3j h ASP 1120Cb 0.21 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.53 3i3j h ASP 1120CO -0.02 0.87 -0.32 0.40 -1.72 0.00 0.00 179.24 178.45 3i3j h ILE 1121N 0.25 0.26 -0.00 0.35 1.08 -0.94 -0.77 117.51 117.74 3i3j h ILE 1121Ca 0.05 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.46 3i3j h ILE 1121Cb 0.67 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 3i3j h ILE 1121CO 0.04 0.00 -0.28 -0.50 -0.69 0.00 0.00 178.15 176.72 3i3j h TRP 1122N -0.32 0.00 -0.61 1.37 4.06 -1.09 -1.62 115.95 117.74 3i3j h TRP 1122Ca 0.13 -0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.01 3i3j h TRP 1122Cb 0.54 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.68 3i3j h TRP 1122CO -0.47 0.28 0.08 1.25 -3.56 0.00 0.00 178.44 176.02 3i3j h LEU 1123N 0.00 0.98 -0.08 -4.49 5.85 -0.63 0.12 115.31 117.06 3i3j h LEU 1123Ca -0.00 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3i3j h LEU 1123Cb 0.50 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3i3j h LEU 1123CO 0.04 1.01 0.04 -0.03 -0.34 0.00 0.00 178.44 179.15 3i3j h MET 1124N 0.92 0.12 -0.03 1.25 4.05 -0.39 -1.31 114.93 119.54 3i3j h MET 1124Ca 0.18 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3i3j h MET 1124Cb 0.45 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 3i3j h MET 1124CO 0.02 0.20 -0.02 0.74 0.23 0.00 0.00 176.91 178.08 3i3j h PHE 1125N 0.02 -0.04 -0.32 1.39 0.04 -1.10 -2.64 116.94 114.28 3i3j h PHE 1125Ca 0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3i3j h PHE 1125Cb 0.12 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3i3j h PHE 1125CO -0.03 -0.03 0.06 -0.91 -0.60 0.00 0.00 178.31 176.80 3i3j h ASN 1126N -0.02 0.43 -0.64 2.17 2.35 -0.72 -0.76 115.58 118.39 3i3j h ASN 1126Ca 0.02 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3i3j h ASN 1126Cb 0.05 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3i3j h ASN 1126CO -0.04 0.45 0.42 0.78 -1.65 0.00 0.00 177.43 177.38 3i3j h ASN 1127N 0.46 0.71 0.09 5.81 2.35 -1.00 -0.45 115.58 123.55 3i3j h ASN 1127Ca 0.11 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3i3j h ASN 1127Cb 0.20 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3i3j h ASN 1127CO -0.00 0.51 -0.04 0.00 -1.65 0.00 0.00 177.43 176.25 3i3j h ALA 1128N 1.25 -0.11 -0.85 -0.83 0.00 -0.88 0.19 119.26 118.02 3i3j h ALA 1128Ca 0.24 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3i3j h ALA 1128Cb -0.07 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3i3j h ALA 1128CO -0.07 -0.34 0.55 -1.49 0.00 0.00 0.00 179.25 177.91 3i3j h TRP 1129N -0.57 0.80 0.12 0.00 6.55 -1.22 -0.29 115.95 121.33 3i3j h TRP 1129Ca -0.01 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 3i3j h TRP 1129Cb 0.47 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 3i3j h TRP 1129CO 0.07 0.33 -0.06 1.25 -1.05 0.00 0.00 178.44 178.98 3i3j h LEU 1130N 0.71 -0.13 -0.23 -4.49 5.85 -0.83 -3.35 115.31 112.84 3i3j h LEU 1130Ca 0.41 -0.36 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 3i3j h LEU 1130Cb 0.61 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3i3j h LEU 1130CO -0.18 0.31 -0.91 0.22 -0.34 0.00 0.00 178.44 177.54 3i3j h TYR 1131N -0.61 0.42 -2.88 1.25 3.20 -0.72 -3.46 116.97 114.17 3i3j h TYR 1131Ca -0.02 -0.23 -0.63 0.00 3.14 0.00 0.00 58.73 60.99 3i3j h TYR 1131Cb 0.48 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 3i3j h TYR 1131CO 0.07 1.05 -0.33 -0.80 -1.64 0.00 0.00 178.16 176.51 3i3j s ASN 1132N -6.99 6.61 0.47 -2.11 0.01 -0.14 -5.06 114.94 107.72 3i3j s ASN 1132Ca -0.04 0.72 -0.25 0.00 -0.71 0.00 0.00 52.86 52.59 3i3j s ASN 1132Cb 0.09 -2.16 -0.08 0.00 0.41 0.00 0.00 41.25 39.52 3i3j s ASN 1132CO 0.84 0.33 1.40 -0.13 -1.51 0.00 0.00 177.10 178.04 3i3j s ARG 1133N -1.22 3.60 0.40 -0.60 1.81 -1.26 -4.77 118.95 116.90 3i3j s ARG 1133Ca 0.22 2.36 0.27 0.00 -1.72 0.00 0.00 55.73 56.86 3i3j s ARG 1133Cb -0.14 -2.58 1.42 0.00 -0.45 0.00 0.00 34.95 33.20 3i3j s ARG 1133CO 0.11 -0.87 1.83 1.57 -0.68 0.00 0.00 175.30 177.26 3i3j h LYS 1134N 2.18 0.00 -0.38 3.54 2.10 -1.97 0.14 116.57 122.18 3i3j h LYS 1134Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3i3j h LYS 1134Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3i3j h LYS 1134CO 0.60 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.30 3i3j n THR 1135N -2.46 0.49 -2.33 0.07 -2.24 -1.26 -4.73 114.28 101.81 3i3j n THR 1135Ca -0.01 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.78 3i3j n THR 1135Cb 0.08 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.44 6.40 0.11 3.42 1.04 0.48 -4.98 113.70 118.72 3i3j s SER 1136Ca 0.38 1.33 -0.24 0.00 0.48 0.00 0.00 55.95 57.90 3i3j s SER 1136Cb 0.22 -2.42 -0.10 0.00 0.10 0.00 0.00 66.02 63.82 3i3j s SER 1136CO 0.30 -0.65 1.69 -0.09 0.98 0.00 0.00 173.24 175.47 3i3j h ARG 1137N 0.41 -0.20 -0.78 4.02 2.43 -1.94 -2.59 114.38 115.73 3i3j h ARG 1137Ca -0.46 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.76 3i3j h ARG 1137Cb 1.19 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3i3j h ARG 1137CO 0.62 -0.13 0.50 0.28 -1.51 0.00 0.00 179.97 179.73 3i3j h VAL 1138N -0.21 1.12 -0.56 0.20 2.07 -1.94 0.97 116.25 117.91 3i3j h VAL 1138Ca 0.03 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.28 3i3j h VAL 1138Cb 0.24 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 3i3j h VAL 1138CO -0.09 0.18 0.25 0.22 0.02 0.00 0.00 177.57 178.15 3i3j h TYR 1139N 0.98 0.45 -0.36 1.57 3.20 -1.76 0.18 116.97 121.22 3i3j h TYR 1139Ca 0.31 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.12 3i3j h TYR 1139Cb 0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3i3j h TYR 1139CO -0.03 0.18 -0.09 0.87 -1.64 0.00 0.00 178.16 177.44 3i3j h LYS 1140N 0.47 0.70 -0.55 1.82 6.56 -0.86 -2.00 116.57 122.72 3i3j h LYS 1140Ca 0.26 -0.27 0.09 0.00 -1.06 0.00 0.00 60.65 59.67 3i3j h LYS 1140Cb 0.24 -0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 31.79 3i3j h LYS 1140CO -0.22 0.86 0.14 1.88 -2.06 0.00 0.00 179.45 180.06 3i3j h TYR 1141N 0.50 0.24 -0.47 -1.35 -1.99 -0.42 -1.32 116.97 112.16 3i3j h TYR 1141Ca 0.09 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.91 3i3j h TYR 1141Cb 0.61 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.26 3i3j h TYR 1141CO 0.05 0.02 0.18 0.00 -0.00 0.00 0.00 178.16 178.41 3i3j h SER 1143N 0.36 0.88 -0.30 0.00 0.02 -0.68 -0.14 113.55 113.69 3i3j h SER 1143Ca 0.22 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3i3j h SER 1143Cb 0.21 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3i3j h SER 1143CO -0.21 0.62 0.17 0.50 -1.14 0.00 0.00 176.83 176.77 3i3j h LYS 1144N 1.03 0.42 -0.58 3.45 1.63 -0.42 -1.64 116.57 120.47 3i3j h LYS 1144Ca 0.30 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.08 3i3j h LYS 1144Cb -0.06 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 3i3j h LYS 1144CO -0.09 0.36 0.35 -0.07 -3.45 0.00 0.00 179.45 176.55 3i3j h LEU 1145N 0.37 0.56 -0.72 5.20 3.38 -0.64 -0.86 115.31 122.61 3i3j h LEU 1145Ca 0.11 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.24 3i3j h LEU 1145Cb 0.06 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.58 3i3j h LEU 1145CO -0.02 0.39 0.13 -1.28 0.09 0.00 0.00 178.44 177.76 3i3j h SER 1146N 0.69 -0.07 -0.39 -0.43 0.87 -0.66 0.13 113.55 113.69 3i3j h SER 1146Ca 0.24 0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.85 3i3j h SER 1146Cb 0.04 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3i3j h SER 1146CO -0.11 -0.06 -0.14 -0.33 -0.53 0.00 0.00 176.83 175.66 3i3j h GLU 1147N 0.23 0.78 -0.20 2.24 5.08 -0.42 -1.91 114.58 120.37 3i3j h GLU 1147Ca 0.40 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i3j h GLU 1147Cb 0.68 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3i3j h GLU 1147CO -0.53 0.93 0.13 0.28 -1.00 0.00 0.00 179.01 178.83 3i3j h VAL 1148N 0.59 1.06 -0.21 3.13 2.07 -0.62 -2.87 116.25 119.40 3i3j h VAL 1148Ca 0.09 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3i3j h VAL 1148Cb 0.67 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3i3j h VAL 1148CO 0.05 0.06 -0.08 0.15 0.02 0.00 0.00 177.57 177.76 3i3j h PHE 1149N 0.26 -0.20 -0.85 1.57 3.57 -0.59 -1.46 116.94 119.24 3i3j h PHE 1149Ca 0.07 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.71 3i3j h PHE 1149Cb -0.01 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 3i3j h PHE 1149CO -0.06 -0.14 0.48 0.93 -2.23 0.00 0.00 178.31 177.30 3i3j h GLU 1150N -0.05 0.75 -0.33 1.11 5.08 -1.25 0.32 114.58 120.20 3i3j h GLU 1150Ca 0.11 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3i3j h GLU 1150Cb 0.22 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3i3j h GLU 1150CO -0.25 0.50 -0.25 1.96 -1.00 0.00 0.00 179.01 179.98 3i3j h GLN 1151N 0.77 0.66 -0.04 2.33 4.20 -1.26 -3.20 115.11 118.58 3i3j h GLN 1151Ca 0.43 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3i3j h GLN 1151Cb 0.46 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3i3j h GLN 1151CO -0.28 0.85 -0.07 0.93 -0.67 0.00 0.00 178.83 179.59 3i3j h GLU 1152N 0.58 0.12 -0.00 1.46 4.39 -0.01 -3.38 114.58 117.73 3i3j h GLU 1152Ca 0.08 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 3i3j h GLU 1152Cb 0.73 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 3i3j h GLU 1152CO 0.06 0.64 -0.82 0.97 -1.16 0.00 0.00 179.01 178.70 3i3j h ILE 1153N -0.39 1.53 0.20 3.13 6.09 -0.51 -3.36 117.51 124.20 3i3j h ILE 1153Ca 0.00 -2.63 0.01 0.00 -1.37 0.00 0.00 64.86 60.87 3i3j h ILE 1153Cb 0.63 2.44 -0.02 0.00 0.47 0.00 0.00 36.82 40.34 3i3j h ILE 1153CO 0.02 0.76 -0.24 0.44 -3.07 0.00 0.00 178.15 176.05 3i3j h ASP 1154N 0.06 -0.67 -0.09 2.19 5.19 -1.73 -0.73 116.42 120.63 3i3j h ASP 1154Ca -0.02 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.41 3i3j h ASP 1154Cb 1.43 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 41.16 3i3j h ASP 1154CO 0.12 -0.35 -0.06 -0.65 -3.12 0.00 0.00 179.24 175.18 3i3j h PRO 1155N -0.49 0.35 -0.37 3.56 0.11 -1.81 -2.80 132.00 130.54 3i3j h PRO 1155Ca 0.01 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3i3j h PRO 1155Cb 0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3i3j h PRO 1155CO -0.09 0.43 -0.11 0.28 -0.21 0.00 0.00 178.00 178.30 3i3j h VAL 1156N 0.33 1.28 -0.58 3.15 2.07 -1.56 -2.85 116.25 118.10 3i3j h VAL 1156Ca 0.07 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 3i3j h VAL 1156Cb 0.32 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3i3j h VAL 1156CO 0.01 0.40 0.14 0.24 0.02 0.00 0.00 177.57 178.38 3i3j h MET 1157N 0.52 0.89 -0.73 1.57 2.86 -0.90 -2.45 114.93 116.70 3i3j h MET 1157Ca 0.09 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3i3j h MET 1157Cb 0.63 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3i3j h MET 1157CO 0.04 0.80 0.45 1.96 1.06 0.00 0.00 176.91 181.22 3i3j h GLN 1158N 0.86 0.98 0.00 1.72 4.20 -1.41 0.13 115.11 121.59 3i3j h GLN 1158Ca 0.19 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3i3j h GLN 1158Cb 0.30 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3i3j h GLN 1158CO -0.00 0.68 0.00 0.43 -0.67 0.00 0.00 178.83 179.27 3i3j n SER 1159N -4.54 0.57 -0.13 1.46 7.64 -0.94 -3.29 113.62 114.39 3i3j n SER 1159Ca 0.07 0.66 -0.24 0.00 1.01 0.00 0.00 58.87 60.37 3i3j n SER 1159Cb 0.05 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 62.37 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 -2.15 2.32 0.00 -3.43 4.77 -0.61 -5.12 117.00 112.79 3i3j n LEU 1160Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3i3j n LEU 1160Cb 0.18 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3i3j n LEU 1160CO 0.17 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.54