#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3j s LYS 1050N 0.00 4.18 0.41 -1.08 -2.85 -1.26 -4.89 119.74 114.26 3i3j s LYS 1050Ca 0.00 2.43 0.18 0.00 -1.00 0.00 0.00 55.97 57.58 3i3j s LYS 1050Cb 0.00 -3.38 1.09 0.00 -2.06 0.00 0.00 37.83 33.48 3i3j s LYS 1050CO 0.00 -0.71 1.82 -1.35 0.10 0.00 0.00 175.35 175.20 3i3j h PRO 1051N 7.68 0.39 0.02 1.78 0.11 -1.95 0.91 132.00 140.94 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 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3i3j h PRO 1051CO 0.93 0.26 -0.94 1.49 -0.21 0.00 0.00 178.00 179.53 3i3j h GLU 1052N 0.40 0.14 -0.71 1.05 4.57 -1.97 -1.69 114.58 116.39 3i3j h GLU 1052Ca 0.53 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.47 3i3j h GLU 1052Cb 1.33 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.95 3i3j h GLU 1052CO -0.22 0.98 0.21 0.93 -1.18 0.00 0.00 179.01 179.73 3i3j h GLU 1053N 0.07 1.09 0.32 1.92 3.07 -1.22 -2.00 114.58 117.83 3i3j h GLU 1053Ca -0.05 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.57 3i3j h GLU 1053Cb 1.60 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 3i3j h GLU 1053CO 0.14 0.94 -0.15 -0.07 -1.40 0.00 0.00 179.01 178.46 3i3j h LEU 1054N 1.05 -0.36 -0.45 1.33 3.38 -1.31 -2.83 115.31 116.12 3i3j h LEU 1054Ca 0.23 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3i3j h LEU 1054Cb 0.30 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.06 3i3j h LEU 1054CO -0.01 -0.01 -0.16 -0.09 0.09 0.00 0.00 178.44 178.26 3i3j h ARG 1055N -0.74 -0.06 0.00 1.13 2.43 -1.23 0.90 114.38 116.81 3i3j h ARG 1055Ca -0.04 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3i3j h ARG 1055Cb 0.50 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3i3j h ARG 1055CO 0.07 -0.04 -0.39 -0.56 -1.51 0.00 0.00 179.97 177.54 3i3j h GLN 1056N -0.06 0.00 -0.04 0.20 3.07 -1.44 0.03 115.11 116.87 3i3j h GLN 1056Ca 0.22 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.74 3i3j h GLN 1056Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.97 3i3j h GLN 1056CO -0.50 0.39 -0.81 0.00 0.09 0.00 0.00 178.83 178.01 3i3j h ALA 1057N 1.61 0.15 0.02 0.06 0.00 -1.03 -3.38 119.26 116.69 3i3j h ALA 1057Ca -0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 54.91 54.00 3i3j h ALA 1057Cb 0.80 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3i3j h ALA 1057CO 0.05 0.55 -1.62 1.37 0.00 0.00 0.00 179.25 179.61 3i3j h LEU 1058N 0.25 0.06 -0.68 0.00 -0.00 -0.79 -3.39 115.31 110.76 3i3j h LEU 1058Ca -0.09 -0.11 0.10 0.00 -0.00 0.00 0.00 57.88 57.78 3i3j h LEU 1058Cb 1.47 -0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 42.04 3i3j h LEU 1058CO 0.16 1.10 0.29 -0.03 -0.00 0.00 0.00 178.44 179.97 3i3j h MET 1059N 0.01 0.48 -0.88 0.17 -1.53 -1.15 -1.42 114.93 110.60 3i3j h MET 1059Ca -0.25 -0.03 0.09 0.00 -3.44 0.00 0.00 59.70 56.07 3i3j h MET 1059Cb 1.98 -0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 32.86 3i3j h MET 1059CO 0.09 0.32 0.57 -1.35 0.14 0.00 0.00 176.91 176.68 3i3j h PRO 1060N 0.49 0.87 -0.17 0.39 0.11 -1.76 0.16 132.00 132.08 3i3j h PRO 1060Ca 0.35 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 3i3j h PRO 1060Cb 0.43 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3i3j h PRO 1060CO -0.31 0.57 -0.30 1.79 -0.21 0.00 0.00 178.00 179.54 3i3j h THR 1061N 0.89 1.27 -0.11 -1.15 1.35 -1.51 -1.26 112.91 112.39 3i3j h THR 1061Ca 0.40 -1.28 -0.18 0.00 -0.55 0.00 0.00 66.41 64.80 3i3j h THR 1061Cb 0.37 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3i3j h THR 1061CO -0.17 0.39 -0.68 0.25 -0.25 0.00 0.00 175.52 175.07 3i3j h LEU 1062N 0.29 0.55 -0.77 3.87 5.85 -0.77 -3.05 115.31 121.29 3i3j h LEU 1062Ca 0.04 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.33 3i3j h LEU 1062Cb 0.67 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3i3j h LEU 1062CO 0.05 1.07 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.87 3i3j h GLU 1063N 0.34 0.92 -0.76 1.25 3.07 -0.38 -1.81 114.58 117.21 3i3j h GLU 1063Ca -0.02 -0.28 0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3i3j h GLU 1063Cb 1.24 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.02 3i3j h GLU 1063CO 0.12 0.92 0.50 0.00 -1.40 0.00 0.00 179.01 179.15 3i3j h ALA 1064N 1.13 0.96 -0.38 3.43 0.00 -1.21 0.46 119.26 123.64 3i3j h ALA 1064Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3i3j h ALA 1064Cb 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i3j h ALA 1064CO 0.03 0.37 -0.05 -0.07 0.00 0.00 0.00 179.25 179.53 3i3j h LEU 1065N 1.02 0.71 -1.20 0.00 3.38 -1.41 -3.02 115.31 114.79 3i3j h LEU 1065Ca 0.28 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3i3j h LEU 1065Cb -0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3i3j h LEU 1065CO -0.06 0.88 0.18 0.22 0.09 0.00 0.00 178.44 179.74 3i3j h TYR 1066N 0.52 0.74 -0.04 1.13 3.20 -0.79 -2.23 116.97 119.50 3i3j h TYR 1066Ca 0.10 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3i3j h TYR 1066Cb 0.55 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3i3j h TYR 1066CO 0.04 0.59 0.00 0.54 -1.64 0.00 0.00 178.16 177.69 3i3j n ARG 1067N -4.33 1.36 -2.35 1.82 3.00 0.10 -4.70 116.66 111.55 3i3j n ARG 1067Ca 0.04 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.85 56.93 3i3j n ARG 1067Cb 0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 32.46 31.18 3i3j n ARG 1067CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3i3j s GLN 1068N -1.95 3.30 -0.16 5.56 -1.52 -0.84 -4.99 119.66 119.07 3i3j s GLN 1068Ca 0.37 0.56 -0.03 0.00 -1.95 0.00 0.00 55.36 54.32 3i3j s GLN 1068Cb 0.19 -4.13 -0.02 0.00 -0.22 0.00 0.00 33.01 28.83 3i3j s GLN 1068CO 0.30 -1.93 -0.07 0.34 -0.25 0.00 0.00 175.29 173.69 3i3j s ASP 1069N 4.62 4.47 0.00 5.90 2.15 -1.26 -0.61 116.67 131.93 3i3j s ASP 1069Ca 0.55 -0.24 0.26 0.00 0.43 0.00 0.00 52.55 53.55 3i3j s ASP 1069Cb -0.12 -1.72 0.61 0.00 -0.30 0.00 0.00 42.92 41.40 3i3j s ASP 1069CO 0.26 0.13 1.49 -0.81 -0.17 0.00 0.00 175.17 176.07 3i3j n PRO 1070N 3.76 1.68 -0.34 4.34 -0.05 -1.26 -4.97 135.00 138.16 3i3j n PRO 1070Ca -0.18 -1.19 0.10 0.00 -0.05 0.00 0.00 63.50 62.19 3i3j n PRO 1070Cb 0.52 -1.48 0.30 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 2.89 0.82 0.00 0.54 3.07 -1.87 -1.62 114.58 118.42 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 0.68 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3i3j h GLU 1071CO 0.00 0.54 0.00 0.66 -1.40 0.00 0.00 179.01 178.81 3i3j h SER 1072N 0.85 0.00 -0.76 1.42 4.64 -1.09 -3.37 113.55 115.24 3i3j h SER 1072Ca 0.52 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.99 3i3j h SER 1072Cb 0.69 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.64 3i3j h SER 1072CO -0.29 0.00 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.43 3i3j h LEU 1073N 0.00 -0.67 0.00 5.97 3.38 -1.49 1.00 115.31 123.49 3i3j h LEU 1073Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3i3j h LEU 1073Cb 0.67 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3i3j h LEU 1073CO 0.00 -0.24 0.00 -2.65 0.09 0.00 0.00 178.44 175.64 3i3j n PRO 1074N -5.49 0.05 -0.18 1.13 -0.02 -1.26 -3.15 135.00 126.08 3i3j n PRO 1074Ca 0.11 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.88 3i3j n PRO 1074Cb 0.39 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.44 0.43 0.36 6.00 3.72 0.34 -4.64 117.46 122.22 3i3j n PHE 1075Ca 0.04 -0.60 0.12 0.00 -0.05 0.00 0.00 57.45 56.96 3i3j n PHE 1075Cb 0.14 -0.09 0.13 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 1.46 0.00 -3.96 -1.08 3.08 -1.49 0.20 114.38 112.58 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 0.83 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.68 3i3j h ARG 1076CO 0.04 0.00 -0.67 1.14 -1.07 0.00 0.00 179.97 179.41 3i3j s GLN 1077N -3.24 0.39 0.67 0.04 0.00 -1.26 -3.62 119.66 112.64 3i3j s GLN 1077Ca 0.04 -0.69 -0.17 0.00 -0.00 0.00 0.00 55.36 54.55 3i3j s GLN 1077Cb 0.11 0.14 -0.02 0.00 0.00 0.00 0.00 33.01 33.24 3i3j s GLN 1077CO 0.73 -0.07 0.95 -2.30 0.00 0.00 0.00 175.29 174.60 3i3j n PRO 1078N 1.32 0.68 -2.59 9.60 -0.02 -1.26 -4.87 135.00 137.86 3i3j n PRO 1078Ca -0.22 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3i3j n PRO 1078Cb 0.56 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.67 4.35 -0.55 -1.45 1.01 -1.26 -5.01 120.40 115.82 3i3j s VAL 1079Ca 0.75 1.80 -0.01 0.00 0.00 0.00 0.00 61.98 64.53 3i3j s VAL 1079Cb -0.38 -4.15 0.14 0.00 0.00 0.00 0.00 36.38 31.99 3i3j s VAL 1079CO 0.48 0.20 0.33 -0.62 0.00 0.00 0.00 175.10 175.50 3i3j s ASP 1080N 0.58 4.97 0.45 3.32 -1.08 -1.26 -4.96 116.67 118.69 3i3j s ASP 1080Ca 0.52 -2.73 0.12 0.00 -0.52 0.00 0.00 52.55 49.94 3i3j s ASP 1080Cb -0.26 -1.78 1.04 0.00 -1.46 0.00 0.00 42.92 40.46 3i3j s ASP 1080CO 0.30 -0.36 2.06 -0.65 0.52 0.00 0.00 175.17 177.04 3i3j h PRO 1081N 7.07 0.33 0.83 4.34 0.11 -1.95 -0.46 132.00 142.28 3i3j h PRO 1081Ca -0.05 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3i3j h PRO 1081Cb 0.95 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3i3j h PRO 1081CO 0.69 0.22 -0.47 1.96 -0.21 0.00 0.00 178.00 180.19 3i3j h GLN 1082N 0.34 -1.16 -0.10 1.05 4.20 -1.93 -1.07 115.11 116.44 3i3j h GLN 1082Ca 0.15 0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3i3j h GLN 1082Cb 0.16 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3i3j h GLN 1082CO -0.03 -0.78 0.05 -0.07 -0.67 0.00 0.00 178.83 177.33 3i3j h LEU 1083N -1.21 0.12 -0.17 1.46 3.38 -1.88 -2.77 115.31 114.24 3i3j h LEU 1083Ca -0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3i3j h LEU 1083Cb 0.95 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3i3j h LEU 1083CO 0.14 0.18 0.00 0.18 0.09 0.00 0.00 178.44 179.03 3i3j n LEU 1084N -4.97 0.21 -2.60 1.67 4.77 -0.22 -4.90 117.00 110.95 3i3j n LEU 1084Ca -0.05 0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 3i3j n LEU 1084Cb 0.07 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 40.71 3i3j n LEU 1084CO 0.34 -0.29 0.12 0.61 -1.33 0.00 0.00 177.39 176.84 3i3j n GLY 1085N 0.28 -0.07 2.33 -0.72 0.00 -0.65 -4.99 105.19 101.37 3i3j n GLY 1085Ca 0.04 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.69 0.64 0.00 -0.61 -5.35 -0.50 -4.98 119.36 104.87 3i3j n ILE 1086Ca -0.09 -4.51 0.18 0.00 -0.27 0.00 0.00 62.75 58.06 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 4.24 0.06 -0.00 6.28 0.11 -1.94 -1.42 132.00 139.33 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 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3i3j h PRO 1087CO 0.62 0.04 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3i3j n ASP 1088N -4.41 0.05 -0.15 -2.05 5.75 -1.26 -4.11 116.55 110.37 3i3j n ASP 1088Ca 0.09 -0.86 -0.03 0.00 -0.01 0.00 0.00 54.79 53.99 3i3j n ASP 1088Cb 0.54 -0.05 0.06 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.06 0.00 2.11 3.20 -1.66 -1.62 116.97 119.13 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 0.07 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3i3j h TYR 1089CO 0.00 -0.06 0.00 1.19 -1.64 0.00 0.00 178.16 177.65 3i3j n PHE 1090N -5.17 0.75 0.05 -3.82 3.72 -1.26 -0.14 117.46 111.59 3i3j n PHE 1090Ca 0.05 0.24 -0.05 0.00 -0.05 0.00 0.00 57.45 57.64 3i3j n PHE 1090Cb 0.25 -0.88 0.15 0.00 -0.94 0.00 0.00 39.48 38.06 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 0.41 0.06 4.37 3.32 -1.56 -3.35 116.42 119.67 3i3j h ASP 1091Ca 0.00 -0.19 -0.34 0.00 0.02 0.00 0.00 57.03 56.52 3i3j h ASP 1091Cb 0.62 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3i3j h ASP 1091CO 0.00 0.80 -1.92 -0.38 -1.72 0.00 0.00 179.24 176.03 3i3j n ILE 1092N -4.00 1.64 -3.50 0.35 2.08 -0.83 -4.82 119.36 110.29 3i3j n ILE 1092Ca -0.02 -0.43 -0.42 0.00 0.56 0.00 0.00 62.75 62.44 3i3j n ILE 1092Cb 0.52 -1.80 -0.08 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 -2.49 4.56 -0.02 1.39 1.01 0.80 -4.94 120.40 120.71 3i3j s VAL 1093Ca -0.28 -1.47 0.11 0.00 0.00 0.00 0.00 61.98 60.34 3i3j s VAL 1093Cb 0.08 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 3i3j s VAL 1093CO 0.66 -0.66 1.30 0.11 0.00 0.00 0.00 175.10 176.51 3i3j h LYS 1094N 8.56 0.00 -2.79 2.72 1.79 -1.86 -3.40 116.57 121.59 3i3j h LYS 1094Ca -0.24 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.62 3i3j h LYS 1094Cb 1.09 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.33 3i3j h LYS 1094CO 0.86 0.72 -0.75 -1.12 -1.08 0.00 0.00 179.45 178.09 3i3j s SER 1095N -6.52 3.38 0.38 0.86 0.01 -1.26 -5.11 113.70 105.44 3i3j s SER 1095Ca 0.02 -3.46 -0.26 0.00 1.31 0.00 0.00 55.95 53.56 3i3j s SER 1095Cb 0.09 -1.11 -0.11 0.00 0.21 0.00 0.00 66.02 65.09 3i3j s SER 1095CO 0.79 -0.13 1.13 -2.65 0.41 0.00 0.00 173.24 172.79 3i3j n PRO 1096N 2.42 1.65 -3.79 12.44 -0.02 -1.26 -4.91 135.00 141.53 3i3j n PRO 1096Ca 0.23 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3i3j n PRO 1096Cb 0.40 -2.15 -0.08 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 -1.97 0.76 0.26 -0.52 1.75 -1.26 -5.04 119.30 113.29 3i3j s MET 1097Ca 0.60 -0.53 -0.21 0.00 -1.25 0.00 0.00 55.69 54.30 3i3j s MET 1097Cb -0.57 0.33 0.05 0.00 2.84 0.00 0.00 34.83 37.47 3i3j s MET 1097CO 0.59 -0.24 0.83 0.16 -0.65 0.00 0.00 175.02 175.72 3i3j s ASP 1098N -2.04 -0.14 0.23 1.11 -4.77 -1.26 -4.72 116.67 105.07 3i3j s ASP 1098Ca -0.05 -0.70 -0.07 0.00 -3.30 0.00 0.00 52.55 48.43 3i3j s ASP 1098Cb -0.01 0.67 0.19 0.00 -1.09 0.00 0.00 42.92 42.69 3i3j s ASP 1098CO -0.03 -1.28 1.82 -0.07 0.70 0.00 0.00 175.17 176.30 3i3j h LEU 1099N 2.00 1.11 -0.21 2.11 3.38 -0.85 -2.30 115.31 120.54 3i3j h LEU 1099Ca -0.24 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3i3j h LEU 1099Cb 1.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3i3j h LEU 1099CO 0.29 0.94 -0.09 0.77 0.09 0.00 0.00 178.44 180.44 3i3j h SER 1100N 1.20 0.44 -0.87 -0.43 4.64 -1.73 -0.88 113.55 115.91 3i3j h SER 1100Ca 0.29 -0.40 0.08 0.00 -0.47 0.00 0.00 61.79 61.28 3i3j h SER 1100Cb 0.14 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.04 3i3j h SER 1100CO -0.03 0.74 0.53 0.74 -0.87 0.00 0.00 176.83 177.94 3i3j h THR 1101N 0.13 0.98 -0.54 2.95 2.02 -1.86 -0.55 112.91 116.03 3i3j h THR 1101Ca 0.05 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 3i3j h THR 1101Cb 0.57 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3i3j h THR 1101CO 0.03 0.17 -0.06 0.40 0.37 0.00 0.00 175.52 176.42 3i3j h ILE 1102N 0.92 1.26 -0.17 3.11 2.04 -1.19 -1.43 117.51 122.06 3i3j h ILE 1102Ca 0.40 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3i3j h ILE 1102Cb 0.28 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3i3j h ILE 1102CO -0.21 0.42 0.11 0.50 0.00 0.00 0.00 178.15 178.97 3i3j h LYS 1103N 0.89 0.23 -0.29 2.37 1.63 -0.59 -0.90 116.57 119.91 3i3j h LYS 1103Ca 0.15 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3i3j h LYS 1103Cb 0.60 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 3i3j h LYS 1103CO 0.04 0.17 0.07 0.00 -3.45 0.00 0.00 179.45 176.27 3i3j h ARG 1104N 0.22 0.18 -0.57 1.90 2.47 -0.94 0.76 114.38 118.40 3i3j h ARG 1104Ca 0.06 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 3i3j h ARG 1104Cb -0.01 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 3i3j h ARG 1104CO -0.01 0.12 0.28 0.87 0.56 0.00 0.00 179.97 181.79 3i3j h LYS 1105N 0.18 0.80 -0.40 0.04 1.57 -1.05 0.25 116.57 117.96 3i3j h LYS 1105Ca 0.13 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3i3j h LYS 1105Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3i3j h LYS 1105CO -0.16 0.62 -0.31 1.25 -0.57 0.00 0.00 179.45 180.28 3i3j h LEU 1106N 0.81 0.94 -0.37 2.94 5.85 -0.61 0.11 115.31 124.98 3i3j h LEU 1106Ca 0.20 -0.39 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 3i3j h LEU 1106Cb 0.07 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3i3j h LEU 1106CO -0.03 1.16 -0.38 0.44 -0.34 0.00 0.00 178.44 179.29 3i3j h ASP 1107N 0.75 0.98 -0.11 1.25 3.32 -0.10 -3.18 116.42 119.33 3i3j h ASP 1107Ca 0.08 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3i3j h ASP 1107Cb 0.88 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3i3j h ASP 1107CO 0.08 1.25 0.00 0.35 -1.72 0.00 0.00 179.24 179.20 3i3j n THR 1108N -4.08 0.14 -1.89 0.35 -2.24 0.01 -4.89 114.28 101.68 3i3j n THR 1108Ca -0.03 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 3i3j n THR 1108Cb 0.54 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.34 0.05 3.38 0.00 -1.04 -4.91 105.19 103.98 3i3j n GLY 1109Ca 0.14 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.17 0.72 -3.71 1.61 7.27 0.35 -4.58 117.38 116.86 3i3j n GLN 1110Ca -0.11 -0.10 -0.37 0.00 0.07 0.00 0.00 57.00 56.50 3i3j n GLN 1110Cb 0.50 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.53 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 -2.35 3.12 -0.01 3.69 2.02 -1.25 -4.97 117.35 117.60 3i3j s TYR 1111Ca 0.35 -0.37 0.11 0.00 -0.37 0.00 0.00 57.07 56.80 3i3j s TYR 1111Cb 0.21 -2.28 -0.15 0.00 -0.40 0.00 0.00 41.96 39.33 3i3j s TYR 1111CO 0.43 -0.35 1.08 1.96 -1.57 0.00 0.00 175.55 177.10 3i3j h GLN 1112N 8.28 0.00 -3.76 -0.62 1.08 -1.95 -3.48 115.11 114.66 3i3j h GLN 1112Ca -0.37 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.67 3i3j h GLN 1112Cb 1.17 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.39 3i3j h GLN 1112CO 0.58 0.66 -0.61 -1.21 -0.95 0.00 0.00 178.83 177.31 3i3j s GLU 1113N -2.76 0.38 0.19 1.46 2.02 -1.26 -4.34 118.70 114.39 3i3j s GLU 1113Ca -0.01 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.35 3i3j s GLU 1113Cb 0.09 0.15 0.20 0.00 0.10 0.00 0.00 34.13 34.66 3i3j s GLU 1113CO 0.81 -0.08 1.66 -1.35 0.02 0.00 0.00 175.26 176.32 3i3j h PRO 1114N 4.54 0.05 -0.48 0.39 0.11 -2.00 -1.50 132.00 133.09 3i3j h PRO 1114Ca -0.31 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.94 3i3j h PRO 1114Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3i3j h PRO 1114CO 0.41 0.03 0.40 0.11 -0.21 0.00 0.00 178.00 178.75 3i3j h TRP 1115N 0.05 0.00 -0.59 0.65 5.08 -1.99 0.16 115.95 119.32 3i3j h TRP 1115Ca 0.26 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.15 3i3j h TRP 1115Cb 0.41 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.54 3i3j h TRP 1115CO -0.39 0.00 0.04 1.96 -1.28 0.00 0.00 178.44 178.77 3i3j h GLN 1116N 0.00 0.99 0.05 0.12 4.20 -1.70 0.36 115.11 119.12 3i3j h GLN 1116Ca 0.23 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3i3j h GLN 1116Cb 1.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3i3j h GLN 1116CO -0.00 0.95 -0.02 -0.92 -0.67 0.00 0.00 178.83 178.16 3i3j h TYR 1117N 0.92 -0.06 -0.77 2.96 3.20 -0.77 -2.70 116.97 119.74 3i3j h TYR 1117Ca 0.17 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.19 3i3j h TYR 1117Cb 0.48 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 3i3j h TYR 1117CO 0.03 0.33 0.33 0.28 -1.64 0.00 0.00 178.16 177.50 3i3j h VAL 1118N -0.46 0.67 -0.88 1.81 2.07 -1.27 -0.80 116.25 117.39 3i3j h VAL 1118Ca -0.01 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3i3j h VAL 1118Cb 0.42 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3i3j h VAL 1118CO 0.01 0.09 0.58 0.44 0.02 0.00 0.00 177.57 178.71 3i3j h ASP 1119N 0.48 0.99 -0.39 0.57 5.19 -0.84 -0.80 116.42 121.61 3i3j h ASP 1119Ca 0.43 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.69 3i3j h ASP 1119Cb 0.64 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3i3j h ASP 1119CO -0.40 0.70 -0.25 0.44 -3.12 0.00 0.00 179.24 176.61 3i3j h ASP 1120N 1.16 0.90 0.04 6.45 3.32 -0.85 -0.50 116.42 126.94 3i3j h ASP 1120Ca 0.33 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3i3j h ASP 1120Cb -0.09 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 3i3j h ASP 1120CO -0.08 1.14 -0.21 0.40 -1.72 0.00 0.00 179.24 178.77 3i3j h ILE 1121N 0.68 0.52 -0.15 0.35 1.08 -0.65 -0.93 117.51 118.41 3i3j h ILE 1121Ca 0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3i3j h ILE 1121Cb 0.83 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3i3j h ILE 1121CO 0.07 0.00 -0.18 -0.50 -0.69 0.00 0.00 178.15 176.85 3i3j h TRP 1122N -0.35 0.26 -0.69 1.37 4.06 -1.09 -1.90 115.95 117.61 3i3j h TRP 1122Ca 0.05 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 3i3j h TRP 1122Cb 0.41 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 3i3j h TRP 1122CO -0.23 0.43 0.33 1.25 -3.56 0.00 0.00 178.44 176.65 3i3j h LEU 1123N 0.23 0.90 -0.20 -4.49 5.85 -0.74 0.15 115.31 117.01 3i3j h LEU 1123Ca 0.04 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3i3j h LEU 1123Cb 0.46 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3i3j h LEU 1123CO 0.03 0.78 0.09 -0.03 -0.34 0.00 0.00 178.44 178.97 3i3j h MET 1124N 0.96 0.29 0.30 1.25 4.05 -0.43 -1.23 114.93 120.12 3i3j h MET 1124Ca 0.24 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3i3j h MET 1124Cb 0.12 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3i3j h MET 1124CO -0.03 0.33 -0.19 0.74 0.23 0.00 0.00 176.91 177.98 3i3j h PHE 1125N 0.19 -0.50 -0.54 1.39 0.04 -1.17 -2.70 116.94 113.64 3i3j h PHE 1125Ca 0.07 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.84 3i3j h PHE 1125Cb 0.14 0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 3i3j h PHE 1125CO -0.02 -0.30 0.36 -0.91 -0.60 0.00 0.00 178.31 176.84 3i3j h ASN 1126N -0.48 0.61 -0.63 2.17 2.35 -0.66 -0.23 115.58 118.71 3i3j h ASN 1126Ca -0.03 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3i3j h ASN 1126Cb 0.40 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3i3j h ASN 1126CO 0.02 0.44 0.38 0.78 -1.65 0.00 0.00 177.43 177.40 3i3j h ASN 1127N 0.72 0.60 -0.12 5.81 2.35 -1.09 -0.49 115.58 123.36 3i3j h ASN 1127Ca 0.20 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3i3j h ASN 1127Cb -0.07 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3i3j h ASN 1127CO -0.04 0.41 -0.11 0.00 -1.65 0.00 0.00 177.43 176.04 3i3j h ALA 1128N 1.29 0.17 -0.83 -0.83 0.00 -0.78 -0.73 119.26 117.55 3i3j h ALA 1128Ca 0.26 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i3j h ALA 1128Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3i3j h ALA 1128CO -0.12 0.01 0.55 -1.49 0.00 0.00 0.00 179.25 178.20 3i3j h TRP 1129N -0.11 1.04 -0.05 0.00 6.55 -1.15 -0.93 115.95 121.30 3i3j h TRP 1129Ca 0.02 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.87 3i3j h TRP 1129Cb 0.62 -0.35 -0.00 0.00 -0.86 0.00 0.00 29.16 28.57 3i3j h TRP 1129CO 0.08 0.66 -0.01 1.25 -1.05 0.00 0.00 178.44 179.37 3i3j h LEU 1130N 1.13 0.09 -0.03 -4.49 5.85 -0.93 -3.33 115.31 113.59 3i3j h LEU 1130Ca 0.31 -0.38 -0.25 0.00 0.84 0.00 0.00 57.88 58.39 3i3j h LEU 1130Cb -0.12 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 40.89 3i3j h LEU 1130CO -0.07 0.45 -1.09 0.22 -0.34 0.00 0.00 178.44 177.62 3i3j h TYR 1131N -0.27 0.67 -2.91 1.25 3.20 -0.98 -3.46 116.97 114.47 3i3j h TYR 1131Ca 0.01 -0.41 -0.63 0.00 3.14 0.00 0.00 58.73 60.85 3i3j h TYR 1131Cb 0.41 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 3i3j h TYR 1131CO 0.06 1.26 -0.29 -0.80 -1.64 0.00 0.00 178.16 176.74 3i3j s ASN 1132N -7.18 6.67 0.46 -2.11 0.01 -0.37 -5.06 114.94 107.37 3i3j s ASN 1132Ca -0.06 0.80 -0.25 0.00 -0.71 0.00 0.00 52.86 52.64 3i3j s ASN 1132Cb 0.08 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.46 3i3j s ASN 1132CO 0.89 0.34 1.43 -0.13 -1.51 0.00 0.00 177.10 178.11 3i3j s ARG 1133N -1.12 3.66 0.19 -0.60 0.52 -1.26 -4.79 118.95 115.54 3i3j s ARG 1133Ca 0.22 2.41 0.15 0.00 -0.52 0.00 0.00 55.73 57.99 3i3j s ARG 1133Cb -0.15 -2.64 0.74 0.00 0.52 0.00 0.00 34.95 33.43 3i3j s ARG 1133CO 0.11 -0.84 1.45 0.36 0.02 0.00 0.00 175.30 176.40 3i3j n LYS 1134N -0.23 0.09 -0.13 3.54 2.85 -1.26 -0.44 118.16 122.58 3i3j n LYS 1134Ca 0.05 0.54 0.10 0.00 -1.05 0.00 0.00 58.31 57.95 3i3j n LYS 1134Cb 0.42 -1.77 0.16 0.00 -0.65 0.00 0.00 35.03 33.19 3i3j n LYS 1134CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3i3j n THR 1135N -1.96 0.41 -2.59 0.58 -2.24 -1.26 -4.74 114.28 102.47 3i3j n THR 1135Ca -0.00 -0.70 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 3i3j n THR 1135Cb 0.06 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.41 6.59 0.13 3.42 1.04 0.41 -4.98 113.70 118.90 3i3j s SER 1136Ca 0.31 1.40 -0.20 0.00 0.48 0.00 0.00 55.95 57.93 3i3j s SER 1136Cb 0.19 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 3i3j s SER 1136CO 0.27 -0.50 1.70 -0.09 0.98 0.00 0.00 173.24 175.59 3i3j h ARG 1137N 1.09 -0.02 -0.80 4.02 2.43 -1.94 -2.48 114.38 116.67 3i3j h ARG 1137Ca -0.47 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 3i3j h ARG 1137Cb 1.19 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 3i3j h ARG 1137CO 0.62 -0.02 0.51 0.28 -1.51 0.00 0.00 179.97 179.86 3i3j h VAL 1138N -0.03 1.13 -0.47 0.20 2.07 -1.94 0.47 116.25 117.69 3i3j h VAL 1138Ca 0.10 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3i3j h VAL 1138Cb 0.17 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 3i3j h VAL 1138CO -0.21 0.18 0.19 0.22 0.02 0.00 0.00 177.57 177.98 3i3j h TYR 1139N 1.01 0.35 -0.18 1.57 3.20 -1.74 0.46 116.97 121.63 3i3j h TYR 1139Ca 0.32 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 3i3j h TYR 1139Cb -0.01 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3i3j h TYR 1139CO -0.03 0.14 -0.22 0.87 -1.64 0.00 0.00 178.16 177.28 3i3j h LYS 1140N 0.39 0.47 -0.66 1.82 1.79 -0.92 -1.80 116.57 117.65 3i3j h LYS 1140Ca 0.21 -0.26 0.14 0.00 -2.18 0.00 0.00 60.65 58.56 3i3j h LYS 1140Cb 0.18 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.75 3i3j h LYS 1140CO -0.19 0.85 0.07 1.88 -1.08 0.00 0.00 179.45 180.98 3i3j h TYR 1141N 0.12 0.09 -0.30 -1.35 -1.99 -0.79 -1.14 116.97 111.62 3i3j h TYR 1141Ca 0.02 0.04 0.05 0.00 2.00 0.00 0.00 58.73 60.85 3i3j h TYR 1141Cb 0.78 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 39.53 3i3j h TYR 1141CO 0.09 -0.13 0.01 0.00 -0.00 0.00 0.00 178.16 178.13 3i3j h SER 1143N 0.10 0.64 -0.05 0.00 0.02 -0.48 0.13 113.55 113.90 3i3j h SER 1143Ca 0.14 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3i3j h SER 1143Cb 0.18 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3i3j h SER 1143CO -0.23 0.42 -0.00 0.50 -1.14 0.00 0.00 176.83 176.37 3i3j h LYS 1144N 0.77 0.01 -0.53 3.45 1.63 -0.69 -1.69 116.57 119.52 3i3j h LYS 1144Ca 0.30 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.18 3i3j h LYS 1144Cb 0.14 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 3i3j h LYS 1144CO -0.16 0.01 0.20 -0.07 -3.45 0.00 0.00 179.45 175.98 3i3j h LEU 1145N 0.01 0.21 -0.69 5.20 3.38 -0.64 -0.85 115.31 121.94 3i3j h LEU 1145Ca 0.02 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3i3j h LEU 1145Cb 0.03 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.71 3i3j h LEU 1145CO -0.04 0.14 0.02 -1.28 0.09 0.00 0.00 178.44 177.37 3i3j h SER 1146N 0.38 -0.27 -0.47 -0.43 0.87 -0.55 0.13 113.55 113.20 3i3j h SER 1146Ca 0.26 0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.90 3i3j h SER 1146Cb 0.28 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 3i3j h SER 1146CO -0.26 -0.13 -0.06 -0.33 -0.53 0.00 0.00 176.83 175.52 3i3j h GLU 1147N 0.13 0.87 -0.26 2.24 3.07 -0.35 -2.03 114.58 118.25 3i3j h GLU 1147Ca 0.37 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3i3j h GLU 1147Cb 0.62 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3i3j h GLU 1147CO -0.58 0.95 0.17 0.28 -1.40 0.00 0.00 179.01 178.42 3i3j h VAL 1148N 0.72 1.08 -0.22 3.13 2.07 -0.29 -2.90 116.25 119.84 3i3j h VAL 1148Ca 0.13 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3i3j h VAL 1148Cb 0.59 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3i3j h VAL 1148CO 0.04 0.08 -0.02 0.15 0.02 0.00 0.00 177.57 177.83 3i3j h PHE 1149N 0.34 -0.05 -0.81 1.57 3.57 -0.59 -1.71 116.94 119.27 3i3j h PHE 1149Ca 0.10 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.71 3i3j h PHE 1149Cb -0.02 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 3i3j h PHE 1149CO -0.05 -0.06 0.45 0.93 -2.23 0.00 0.00 178.31 177.35 3i3j h GLU 1150N 0.04 0.73 -0.29 1.11 5.08 -1.26 0.40 114.58 120.40 3i3j h GLU 1150Ca 0.11 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3i3j h GLU 1150Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3i3j h GLU 1150CO -0.20 0.48 -0.21 1.96 -1.00 0.00 0.00 179.01 180.04 3i3j h GLN 1151N 0.75 0.55 -0.02 2.33 4.20 -1.28 -3.19 115.11 118.45 3i3j h GLN 1151Ca 0.40 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 3i3j h GLN 1151Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3i3j h GLN 1151CO -0.26 0.73 -0.14 0.93 -0.67 0.00 0.00 178.83 179.42 3i3j h GLU 1152N 0.49 0.14 -0.00 1.46 4.39 -0.06 -3.39 114.58 117.61 3i3j h GLU 1152Ca 0.08 -0.12 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 3i3j h GLU 1152Cb 0.64 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3i3j h GLU 1152CO 0.05 0.79 -0.84 0.97 -1.16 0.00 0.00 179.01 178.81 3i3j h ILE 1153N -0.47 1.50 0.17 3.13 6.09 -0.35 -3.36 117.51 124.22 3i3j h ILE 1153Ca -0.01 -2.57 0.01 0.00 -1.37 0.00 0.00 64.86 60.92 3i3j h ILE 1153Cb 0.81 2.42 -0.04 0.00 0.47 0.00 0.00 36.82 40.49 3i3j h ILE 1153CO 0.03 0.75 -0.33 0.44 -3.07 0.00 0.00 178.15 175.97 3i3j h ASP 1154N 0.10 -0.95 -0.25 2.19 5.19 -1.74 -0.78 116.42 120.18 3i3j h ASP 1154Ca -0.04 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 3i3j h ASP 1154Cb 1.45 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 41.30 3i3j h ASP 1154CO 0.13 -0.43 0.06 -0.65 -3.12 0.00 0.00 179.24 175.23 3i3j h PRO 1155N -0.59 0.48 -0.41 3.56 0.11 -1.82 -2.76 132.00 130.58 3i3j h PRO 1155Ca 0.02 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 3i3j h PRO 1155Cb 0.60 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3i3j h PRO 1155CO -0.16 0.46 -0.04 0.28 -0.21 0.00 0.00 178.00 178.33 3i3j h VAL 1156N 0.47 1.27 -0.64 3.15 2.07 -1.57 -2.85 116.25 118.14 3i3j h VAL 1156Ca 0.11 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 3i3j h VAL 1156Cb 0.21 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3i3j h VAL 1156CO -0.00 0.37 0.18 0.24 0.02 0.00 0.00 177.57 178.38 3i3j h MET 1157N 0.57 0.99 -0.70 1.57 2.86 -0.88 -2.59 114.93 116.76 3i3j h MET 1157Ca 0.11 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3i3j h MET 1157Cb 0.54 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3i3j h MET 1157CO 0.03 0.86 0.45 1.96 1.06 0.00 0.00 176.91 181.27 3i3j h GLN 1158N 0.95 0.89 0.00 1.72 4.20 -1.41 -3.52 115.11 117.94 3i3j h GLN 1158Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3i3j h GLN 1158Cb 0.30 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3i3j h GLN 1158CO -0.01 0.59 0.00 0.43 -0.67 0.00 0.00 178.83 179.18