#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3j s PHE 1049N 0.00 3.03 0.11 9.51 0.08 -1.26 -5.08 117.98 124.38 3i3j s PHE 1049Ca 0.00 -0.75 -0.31 0.00 0.12 0.00 0.00 56.93 55.99 3i3j s PHE 1049Cb 0.00 -2.17 -0.09 0.00 -0.57 0.00 0.00 43.02 40.18 3i3j s PHE 1049CO 0.00 -0.48 1.65 -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 -4.88 119.74 117.32 3i3j s LYS 1050Ca 0.06 2.38 0.18 0.00 -1.00 0.00 0.00 55.97 57.59 3i3j s LYS 1050Cb -0.15 -3.42 1.09 0.00 -2.06 0.00 0.00 37.83 33.29 3i3j s LYS 1050CO 0.00 -0.70 1.81 -1.35 0.10 0.00 0.00 175.35 175.20 3i3j h PRO 1051N 7.77 0.39 0.03 1.78 0.11 -1.95 0.15 132.00 140.28 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 32.21 3i3j h PRO 1051CO 0.93 0.26 -0.96 1.49 -0.21 0.00 0.00 178.00 179.51 3i3j h GLU 1052N 0.41 0.16 -0.62 1.05 4.57 -1.97 -1.50 114.58 116.68 3i3j h GLU 1052Ca 0.54 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.47 3i3j h GLU 1052Cb 1.36 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.99 3i3j h GLU 1052CO -0.24 1.00 0.20 0.93 -1.18 0.00 0.00 179.01 179.73 3i3j h GLU 1053N 0.08 0.94 0.21 1.92 3.07 -1.11 -0.95 114.58 118.73 3i3j h GLU 1053Ca -0.05 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.62 3i3j h GLU 1053Cb 1.64 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.40 3i3j h GLU 1053CO 0.14 0.80 -0.10 1.25 -1.40 0.00 0.00 179.01 179.70 3i3j h LEU 1054N 0.91 -0.24 -0.67 1.33 5.85 -1.26 -2.68 115.31 118.55 3i3j h LEU 1054Ca 0.21 -0.28 0.13 0.00 0.84 0.00 0.00 57.88 58.77 3i3j h LEU 1054Cb 0.25 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 3i3j h LEU 1054CO -0.01 0.22 0.20 -0.09 -0.34 0.00 0.00 178.44 178.42 3i3j h ARG 1055N -0.77 0.33 -0.40 1.25 2.43 -1.18 0.92 114.38 116.96 3i3j h ARG 1055Ca -0.03 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 3i3j h ARG 1055Cb 0.51 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3i3j h ARG 1055CO 0.05 0.22 -0.04 1.96 -1.51 0.00 0.00 179.97 180.64 3i3j h GLN 1056N 0.34 0.65 0.25 0.20 4.20 -1.20 -0.96 115.11 118.60 3i3j h GLN 1056Ca 0.36 -0.17 -0.34 0.00 0.06 0.00 0.00 58.65 58.56 3i3j h GLN 1056Cb 0.55 -0.08 0.04 0.00 0.30 0.00 0.00 27.48 28.29 3i3j h GLN 1056CO -0.41 0.70 -1.49 0.00 -0.67 0.00 0.00 178.83 176.96 3i3j h ALA 1057N 1.35 -0.15 0.01 3.87 0.00 -0.84 -3.38 119.26 120.11 3i3j h ALA 1057Ca 0.12 -0.87 -0.28 0.00 0.00 0.00 0.00 54.91 53.88 3i3j h ALA 1057Cb 0.44 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3i3j h ALA 1057CO 0.02 0.71 -1.54 -0.07 0.00 0.00 0.00 179.25 178.37 3i3j h LEU 1058N 0.15 0.04 -0.72 0.00 3.38 -0.84 -3.39 115.31 113.93 3i3j h LEU 1058Ca -0.26 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 57.74 3i3j h LEU 1058Cb 2.17 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.84 3i3j h LEU 1058CO 0.27 1.06 0.36 -0.03 0.09 0.00 0.00 178.44 180.20 3i3j h MET 1059N 0.01 0.59 -0.75 1.13 4.05 -1.35 -1.14 114.93 117.47 3i3j h MET 1059Ca -0.22 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.25 3i3j h MET 1059Cb 1.96 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 32.57 3i3j h MET 1059CO 0.10 0.39 0.49 -1.35 0.23 0.00 0.00 176.91 176.77 3i3j h PRO 1060N 0.61 0.68 -0.13 0.39 0.11 -1.78 0.18 132.00 132.07 3i3j h PRO 1060Ca 0.36 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 3i3j h PRO 1060Cb 0.38 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3i3j h PRO 1060CO -0.27 0.45 -0.43 1.79 -0.21 0.00 0.00 178.00 179.33 3i3j h THR 1061N 0.70 1.32 -0.17 -1.15 1.35 -1.46 -1.34 112.91 112.16 3i3j h THR 1061Ca 0.34 -1.58 -0.17 0.00 -0.55 0.00 0.00 66.41 64.45 3i3j h THR 1061Cb 0.38 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 3i3j h THR 1061CO -0.12 0.48 -0.58 0.25 -0.25 0.00 0.00 175.52 175.29 3i3j h LEU 1062N 0.25 0.62 -0.72 3.87 5.85 -0.78 -3.04 115.31 121.36 3i3j h LEU 1062Ca 0.02 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 3i3j h LEU 1062Cb 0.86 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3i3j h LEU 1062CO 0.07 1.06 0.01 -0.33 -0.34 0.00 0.00 178.44 178.92 3i3j h GLU 1063N 0.41 1.00 -0.77 1.25 5.08 -0.39 -1.82 114.58 119.34 3i3j h GLU 1063Ca 0.00 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3i3j h GLU 1063Cb 1.14 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3i3j h GLU 1063CO 0.11 0.97 0.50 0.00 -1.00 0.00 0.00 179.01 179.60 3i3j h ALA 1064N 1.08 1.43 -0.22 3.43 0.00 -1.22 0.96 119.26 124.73 3i3j h ALA 1064Ca 0.17 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3i3j h ALA 1064Cb 0.52 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i3j h ALA 1064CO 0.03 0.52 -0.25 -0.07 0.00 0.00 0.00 179.25 179.48 3i3j h LEU 1065N 1.05 0.60 -1.10 0.00 3.38 -1.39 -3.09 115.31 114.76 3i3j h LEU 1065Ca 0.28 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3i3j h LEU 1065Cb -0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3i3j h LEU 1065CO -0.06 0.97 0.27 0.22 0.09 0.00 0.00 178.44 179.93 3i3j h TYR 1066N 0.24 0.90 -0.00 1.13 3.20 -0.58 -1.66 116.97 120.21 3i3j h TYR 1066Ca 0.03 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3i3j h TYR 1066Cb 0.81 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.80 3i3j h TYR 1066CO 0.08 0.68 -0.00 0.54 -1.64 0.00 0.00 178.16 177.82 3i3j n ARG 1067N -4.33 1.04 -2.36 1.82 1.74 0.26 -4.69 116.66 110.15 3i3j n ARG 1067Ca 0.06 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3i3j n ARG 1067Cb 0.16 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 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 3.30 -0.13 5.56 -1.52 -0.62 -4.98 119.66 119.26 3i3j s GLN 1068Ca 0.47 0.55 -0.01 0.00 -1.95 0.00 0.00 55.36 54.42 3i3j s GLN 1068Cb 0.22 -4.13 -0.02 0.00 -0.22 0.00 0.00 33.01 28.86 3i3j s GLN 1068CO 0.37 -1.93 -0.09 0.34 -0.25 0.00 0.00 175.29 173.73 3i3j s ASP 1069N 4.59 4.33 0.00 5.90 2.15 -1.26 -0.54 116.67 131.84 3i3j s ASP 1069Ca 0.55 -0.24 0.27 0.00 0.43 0.00 0.00 52.55 53.56 3i3j s ASP 1069Cb -0.11 -1.64 0.83 0.00 -0.30 0.00 0.00 42.92 41.70 3i3j s ASP 1069CO 0.26 0.18 1.61 -0.81 -0.17 0.00 0.00 175.17 176.24 3i3j n PRO 1070N 3.44 1.06 -0.35 4.34 -0.05 -1.26 -4.97 135.00 137.21 3i3j n PRO 1070Ca -0.18 -0.62 0.15 0.00 -0.05 0.00 0.00 63.50 62.80 3i3j n PRO 1070Cb 0.53 -1.49 0.35 0.00 -0.05 0.00 0.00 33.50 32.84 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 1.51 0.66 0.00 0.54 3.07 -1.89 -1.26 114.58 117.22 3i3j h GLU 1071Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3i3j h GLU 1071Cb 0.51 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3i3j h GLU 1071CO 0.00 0.44 0.00 -1.13 -1.40 0.00 0.00 179.01 176.92 3i3j n SER 1072N -4.80 0.56 -0.27 1.42 3.41 0.30 -4.19 113.62 110.05 3i3j n SER 1072Ca 0.25 0.56 0.02 0.00 -0.26 0.00 0.00 58.87 59.43 3i3j n SER 1072Cb 0.65 -0.70 0.09 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.71 0.00 1.04 3.38 -1.42 0.15 115.31 117.74 3i3j h LEU 1073Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i3j h LEU 1073Cb 0.65 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.88 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 -5.50 0.10 -0.18 1.13 -0.02 -1.26 -3.12 135.00 126.15 3i3j n PRO 1074Ca 0.11 0.20 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3i3j n PRO 1074Cb 0.39 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.40 0.41 0.40 6.00 3.72 0.03 -4.64 117.46 121.98 3i3j n PHE 1075Ca 0.05 -0.63 0.12 0.00 -0.05 0.00 0.00 57.45 56.94 3i3j n PHE 1075Cb 0.14 -0.11 0.11 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.29 0.00 -4.12 -1.08 3.08 -1.48 0.92 114.38 112.99 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 0.86 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.72 3i3j h ARG 1076CO 0.05 0.00 -0.70 1.14 -1.07 0.00 0.00 179.97 179.39 3i3j s GLN 1077N -3.23 0.43 0.63 0.04 0.00 -1.26 -3.72 119.66 112.55 3i3j s GLN 1077Ca 0.04 -0.83 -0.18 0.00 -0.00 0.00 0.00 55.36 54.38 3i3j s GLN 1077Cb 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 33.01 33.21 3i3j s GLN 1077CO 0.74 -0.06 1.19 -2.30 0.00 0.00 0.00 175.29 174.86 3i3j n PRO 1078N 1.07 1.06 -2.38 9.60 -0.02 -1.26 -4.86 135.00 138.21 3i3j n PRO 1078Ca -0.20 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3i3j n PRO 1078Cb 0.57 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.42 3.80 -0.55 -1.45 1.01 -1.26 -5.00 120.40 115.53 3i3j s VAL 1079Ca 0.80 1.37 0.00 0.00 0.00 0.00 0.00 61.98 64.15 3i3j s VAL 1079Cb -0.39 -3.88 0.14 0.00 0.00 0.00 0.00 36.38 32.25 3i3j s VAL 1079CO 0.43 0.15 0.32 -0.62 0.00 0.00 0.00 175.10 175.38 3i3j s ASP 1080N 0.72 4.84 0.46 3.32 -1.08 -1.26 -4.96 116.67 118.70 3i3j s ASP 1080Ca 0.57 -2.81 0.12 0.00 -0.52 0.00 0.00 52.55 49.91 3i3j s ASP 1080Cb -0.31 -1.75 1.06 0.00 -1.46 0.00 0.00 42.92 40.46 3i3j s ASP 1080CO 0.32 -0.33 2.07 -0.65 0.52 0.00 0.00 175.17 177.10 3i3j h PRO 1081N 6.93 0.30 0.65 4.34 0.11 -1.95 -0.76 132.00 141.62 3i3j h PRO 1081Ca -0.05 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3i3j h PRO 1081Cb 0.94 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3i3j h PRO 1081CO 0.69 0.20 -0.42 1.96 -0.21 0.00 0.00 178.00 180.21 3i3j h GLN 1082N 0.30 -0.98 -0.21 1.05 4.20 -1.93 -1.06 115.11 116.49 3i3j h GLN 1082Ca 0.13 0.07 -0.00 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 -0.03 -0.65 0.12 -0.07 -0.67 0.00 0.00 178.83 177.54 3i3j h LEU 1083N -1.01 0.26 -0.12 1.46 3.38 -1.86 -2.74 115.31 114.68 3i3j h LEU 1083Ca -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3i3j h LEU 1083Cb 0.82 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i3j h LEU 1083CO 0.07 0.25 0.00 0.18 0.09 0.00 0.00 178.44 179.03 3i3j n LEU 1084N -4.90 0.22 -2.58 1.67 4.77 -0.34 -4.91 117.00 110.94 3i3j n LEU 1084Ca -0.03 0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 3i3j n LEU 1084Cb 0.06 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.72 3i3j n LEU 1084CO 0.34 -0.22 0.12 0.61 -1.33 0.00 0.00 177.39 176.91 3i3j n GLY 1085N 0.61 -0.06 2.39 -0.72 0.00 -0.59 -4.99 105.19 101.82 3i3j n GLY 1085Ca 0.05 -0.08 -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 -3.58 0.47 0.03 -0.61 -5.35 -0.50 -4.98 119.36 104.83 3i3j n ILE 1086Ca -0.10 -4.40 0.17 0.00 -0.27 0.00 0.00 62.75 58.15 3i3j n ILE 1086Cb 0.58 -1.98 0.64 0.00 -1.74 0.00 0.00 39.64 37.14 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 4.51 0.08 -0.00 6.28 0.11 -1.94 -1.77 132.00 139.27 3i3j h PRO 1087Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3i3j h PRO 1087Cb 0.80 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3i3j h PRO 1087CO 0.60 0.05 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.03 3i3j n ASP 1088N -4.43 0.15 -0.19 -2.05 5.75 -1.26 -4.11 116.55 110.42 3i3j n ASP 1088Ca 0.08 -0.90 -0.00 0.00 -0.01 0.00 0.00 54.79 53.95 3i3j n ASP 1088Cb 0.47 -0.04 0.10 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.25 0.00 2.11 3.20 -1.72 -1.72 116.97 119.32 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 0.10 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.35 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 -5.08 0.62 0.04 -3.82 3.72 -1.26 0.06 117.46 111.74 3i3j n PHE 1090Ca 0.08 0.18 -0.06 0.00 -0.05 0.00 0.00 57.45 57.60 3i3j n PHE 1090Cb 0.28 -0.80 0.13 0.00 -0.94 0.00 0.00 39.48 38.15 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 0.06 4.37 3.32 -1.58 -3.35 116.42 119.69 3i3j h ASP 1091Ca 0.00 -0.21 -0.36 0.00 0.02 0.00 0.00 57.03 56.48 3i3j h ASP 1091Cb 0.64 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3i3j h ASP 1091CO 0.00 0.85 -2.02 -0.38 -1.72 0.00 0.00 179.24 175.97 3i3j n ILE 1092N -3.99 1.64 -3.45 0.35 2.08 -0.87 -4.82 119.36 110.30 3i3j n ILE 1092Ca -0.02 -0.48 -0.43 0.00 0.56 0.00 0.00 62.75 62.37 3i3j n ILE 1092Cb 0.54 -1.74 -0.07 0.00 -0.75 0.00 0.00 39.64 37.61 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 -2.51 4.74 0.07 1.39 1.01 0.11 -4.94 120.40 120.26 3i3j s VAL 1093Ca -0.28 -1.49 0.09 0.00 0.00 0.00 0.00 61.98 60.29 3i3j s VAL 1093Cb 0.08 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 32.30 3i3j s VAL 1093CO 0.67 -0.72 1.28 0.11 0.00 0.00 0.00 175.10 176.43 3i3j h LYS 1094N 8.65 0.00 -2.89 2.72 1.79 -1.86 -3.40 116.57 121.58 3i3j h LYS 1094Ca -0.26 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.60 3i3j h LYS 1094Cb 1.09 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.34 3i3j h LYS 1094CO 0.91 0.90 -0.72 -1.12 -1.08 0.00 0.00 179.45 178.34 3i3j s SER 1095N -6.64 3.66 0.43 0.86 0.01 -1.26 -5.11 113.70 105.64 3i3j s SER 1095Ca 0.01 -3.38 -0.25 0.00 1.31 0.00 0.00 55.95 53.65 3i3j s SER 1095Cb 0.10 -1.20 -0.10 0.00 0.21 0.00 0.00 66.02 65.03 3i3j s SER 1095CO 0.81 -0.15 1.18 -2.65 0.41 0.00 0.00 173.24 172.84 3i3j n PRO 1096N 2.55 1.69 -3.75 12.44 -0.02 -1.26 -4.91 135.00 141.74 3i3j n PRO 1096Ca 0.20 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3i3j n PRO 1096Cb 0.38 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 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 -2.17 0.78 0.31 -0.52 1.75 -1.26 -5.04 119.30 113.16 3i3j s MET 1097Ca 0.62 -0.40 -0.19 0.00 -1.25 0.00 0.00 55.69 54.48 3i3j s MET 1097Cb -0.52 0.34 0.03 0.00 2.84 0.00 0.00 34.83 37.52 3i3j s MET 1097CO 0.57 -0.24 0.74 0.16 -0.65 0.00 0.00 175.02 175.60 3i3j s ASP 1098N -1.84 -0.17 0.28 1.11 -4.77 -1.26 -4.72 116.67 105.29 3i3j s ASP 1098Ca -0.07 -0.79 -0.03 0.00 -3.30 0.00 0.00 52.55 48.35 3i3j s ASP 1098Cb -0.02 0.77 0.37 0.00 -1.09 0.00 0.00 42.92 42.95 3i3j s ASP 1098CO -0.01 -1.46 1.92 -0.07 0.70 0.00 0.00 175.17 176.25 3i3j h LEU 1099N 2.00 0.98 -0.15 2.11 3.38 -1.08 -2.12 115.31 120.44 3i3j h LEU 1099Ca -0.23 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3i3j h LEU 1099Cb 1.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3i3j h LEU 1099CO 0.29 0.76 -0.36 0.77 0.09 0.00 0.00 178.44 179.99 3i3j h SER 1100N 1.13 0.57 -0.80 -0.43 4.64 -1.75 -0.63 113.55 116.29 3i3j h SER 1100Ca 0.29 -0.57 0.08 0.00 -0.47 0.00 0.00 61.79 61.12 3i3j h SER 1100Cb -0.04 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 61.82 3i3j h SER 1100CO -0.05 1.04 0.47 0.74 -0.87 0.00 0.00 176.83 178.16 3i3j h THR 1101N 0.13 0.95 -0.55 2.95 2.02 -1.86 -0.21 112.91 116.35 3i3j h THR 1101Ca -0.00 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 3i3j h THR 1101Cb 0.96 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3i3j h THR 1101CO 0.08 0.15 0.13 0.40 0.37 0.00 0.00 175.52 176.65 3i3j h ILE 1102N 0.82 1.24 -0.10 3.11 2.04 -1.12 -1.52 117.51 121.98 3i3j h ILE 1102Ca 0.37 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.38 3i3j h ILE 1102Cb 0.28 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3i3j h ILE 1102CO -0.22 0.32 -0.02 0.50 0.00 0.00 0.00 178.15 178.74 3i3j h LYS 1103N 0.78 0.01 -0.29 2.37 1.63 -0.59 -0.56 116.57 119.91 3i3j h LYS 1103Ca 0.17 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.04 3i3j h LYS 1103Cb 0.34 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.90 3i3j h LYS 1103CO 0.00 0.00 -0.18 -0.09 -3.45 0.00 0.00 179.45 175.73 3i3j h ARG 1104N 0.01 -0.15 -0.38 1.90 2.43 -0.92 0.89 114.38 118.15 3i3j h ARG 1104Ca 0.05 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3i3j h ARG 1104Cb 0.07 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3i3j h ARG 1104CO -0.10 -0.10 0.17 0.87 -1.51 0.00 0.00 179.97 179.31 3i3j h LYS 1105N -0.15 0.53 -0.31 0.20 1.57 -1.00 0.27 116.57 117.68 3i3j h LYS 1105Ca 0.16 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 3i3j h LYS 1105Cb 0.39 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3i3j h LYS 1105CO -0.39 0.43 -0.51 1.25 -0.57 0.00 0.00 179.45 179.66 3i3j h LEU 1106N 0.54 0.97 -0.44 2.94 5.85 -0.50 0.91 115.31 125.58 3i3j h LEU 1106Ca 0.14 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 58.21 3i3j h LEU 1106Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3i3j h LEU 1106CO -0.02 1.30 -0.29 0.44 -0.34 0.00 0.00 178.44 179.53 3i3j h ASP 1107N 0.68 1.02 -0.04 1.25 3.32 -0.08 -3.17 116.42 119.39 3i3j h ASP 1107Ca 0.02 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3i3j h ASP 1107Cb 1.12 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3i3j h ASP 1107CO 0.12 1.23 0.00 0.35 -1.72 0.00 0.00 179.24 179.21 3i3j n THR 1108N -4.09 0.05 -2.02 0.35 -2.24 0.01 -4.90 114.28 101.45 3i3j n THR 1108Ca -0.01 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 3i3j n THR 1108Cb 0.50 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3i3j n THR 1108CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3j n GLY 1109N 1.00 0.18 0.04 3.38 0.00 -1.05 -4.92 105.19 103.81 3i3j n GLY 1109Ca 0.18 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.08 0.59 -3.67 1.61 7.27 0.29 -4.60 117.38 116.79 3i3j n GLN 1110Ca -0.11 -0.07 -0.37 0.00 0.07 0.00 0.00 57.00 56.51 3i3j n GLN 1110Cb 0.54 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.57 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 -2.46 3.15 -0.01 3.69 2.02 -1.25 -4.96 117.35 117.52 3i3j s TYR 1111Ca 0.31 -0.23 0.12 0.00 -0.37 0.00 0.00 57.07 56.90 3i3j s TYR 1111Cb 0.20 -2.32 -0.16 0.00 -0.40 0.00 0.00 41.96 39.29 3i3j s TYR 1111CO 0.45 -0.30 1.04 1.96 -1.57 0.00 0.00 175.55 177.13 3i3j h GLN 1112N 8.31 0.00 -3.73 -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 1.18 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.40 3i3j h GLN 1112CO 0.57 0.65 -0.59 -1.21 -0.95 0.00 0.00 178.83 177.30 3i3j s GLU 1113N -2.75 0.40 0.22 1.46 2.02 -1.26 -4.34 118.70 114.45 3i3j s GLU 1113Ca -0.01 -0.49 -0.08 0.00 0.02 0.00 0.00 54.97 54.41 3i3j s GLU 1113Cb 0.09 0.16 0.34 0.00 0.10 0.00 0.00 34.13 34.82 3i3j s GLU 1113CO 0.81 -0.08 1.71 -1.35 0.02 0.00 0.00 175.26 176.36 3i3j h PRO 1114N 4.48 0.29 -0.23 0.39 0.11 -2.00 -1.54 132.00 133.50 3i3j h PRO 1114Ca -0.31 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.85 3i3j h PRO 1114Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3i3j h PRO 1114CO 0.41 0.19 0.19 0.11 -0.21 0.00 0.00 178.00 178.69 3i3j h TRP 1115N 0.30 0.00 -0.46 0.65 5.08 -1.99 0.72 115.95 120.25 3i3j h TRP 1115Ca 0.35 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.24 3i3j h TRP 1115Cb 0.52 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.66 3i3j h TRP 1115CO -0.24 0.00 -0.04 1.96 -1.28 0.00 0.00 178.44 178.85 3i3j h GLN 1116N 0.00 0.79 -0.03 0.12 4.20 -1.71 0.87 115.11 119.34 3i3j h GLN 1116Ca 0.11 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3i3j h GLN 1116Cb 0.48 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 3i3j h GLN 1116CO -0.00 0.82 -0.02 -0.92 -0.67 0.00 0.00 178.83 178.04 3i3j h TYR 1117N 0.73 0.07 -0.99 2.96 3.20 -0.96 -2.73 116.97 119.25 3i3j h TYR 1117Ca 0.14 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.11 3i3j h TYR 1117Cb 0.50 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 3i3j h TYR 1117CO 0.03 0.47 0.62 0.28 -1.64 0.00 0.00 178.16 177.91 3i3j h VAL 1118N -0.34 0.92 -0.82 1.81 2.07 -1.16 -1.15 116.25 117.58 3i3j h VAL 1118Ca 0.01 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3i3j h VAL 1118Cb 0.45 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 3i3j h VAL 1118CO 0.00 0.18 0.36 0.44 0.02 0.00 0.00 177.57 178.58 3i3j h ASP 1119N 0.98 1.10 -0.47 0.57 5.19 -0.79 -1.24 116.42 121.76 3i3j h ASP 1119Ca 0.49 -0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.67 3i3j h ASP 1119Cb 0.48 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3i3j h ASP 1119CO -0.27 0.95 -0.01 0.44 -3.12 0.00 0.00 179.24 177.23 3i3j h ASP 1120N 1.17 0.83 -0.12 6.45 3.32 -0.94 -0.48 116.42 126.65 3i3j h ASP 1120Ca 0.28 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.05 3i3j h ASP 1120Cb 0.16 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3i3j h ASP 1120CO -0.03 0.94 -0.13 0.40 -1.72 0.00 0.00 179.24 178.70 3i3j h ILE 1121N 0.69 0.64 -0.27 0.35 1.08 -0.84 -1.25 117.51 117.91 3i3j h ILE 1121Ca 0.13 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.53 3i3j h ILE 1121Cb 0.52 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 3i3j h ILE 1121CO 0.03 0.00 -0.14 -0.50 -0.69 0.00 0.00 178.15 176.84 3i3j h TRP 1122N -0.16 0.49 -0.86 1.37 4.06 -1.15 -1.95 115.95 117.75 3i3j h TRP 1122Ca 0.09 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 3i3j h TRP 1122Cb 0.29 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.28 3i3j h TRP 1122CO -0.25 0.59 0.49 1.25 -3.56 0.00 0.00 178.44 176.96 3i3j h LEU 1123N 0.42 1.06 -0.01 -4.49 5.85 -0.68 0.32 115.31 117.78 3i3j h LEU 1123Ca 0.08 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i3j h LEU 1123Cb 0.50 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3i3j h LEU 1123CO 0.03 0.84 0.00 -0.03 -0.34 0.00 0.00 178.44 178.94 3i3j h MET 1124N 1.19 0.01 -0.14 1.25 4.05 -0.68 -1.12 114.93 119.49 3i3j h MET 1124Ca 0.30 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.74 3i3j h MET 1124Cb 0.00 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3i3j h MET 1124CO -0.05 0.17 0.01 0.74 0.23 0.00 0.00 176.91 178.01 3i3j h PHE 1125N -0.15 0.01 -0.33 1.39 0.04 -1.05 -2.71 116.94 114.14 3i3j h PHE 1125Ca 0.00 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3i3j h PHE 1125Cb 0.16 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3i3j h PHE 1125CO -0.02 -0.01 0.03 -0.91 -0.60 0.00 0.00 178.31 176.80 3i3j h ASN 1126N 0.06 0.46 -0.70 2.17 2.35 -0.26 -0.78 115.58 118.88 3i3j h ASN 1126Ca 0.07 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3i3j h ASN 1126Cb 0.07 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 3i3j h ASN 1126CO -0.11 0.51 0.46 0.78 -1.65 0.00 0.00 177.43 177.42 3i3j h ASN 1127N 0.48 0.78 -0.03 5.81 2.35 -1.01 -0.49 115.58 123.47 3i3j h ASN 1127Ca 0.11 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3i3j h ASN 1127Cb 0.27 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3i3j h ASN 1127CO 0.01 0.56 -0.05 0.00 -1.65 0.00 0.00 177.43 176.29 3i3j h ALA 1128N 1.27 0.05 -0.64 -0.83 0.00 -0.88 -0.31 119.26 117.92 3i3j h ALA 1128Ca 0.26 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3i3j h ALA 1128Cb -0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3i3j h ALA 1128CO -0.07 -0.13 0.42 -1.49 0.00 0.00 0.00 179.25 177.98 3i3j h TRP 1129N -0.41 0.71 -0.01 0.00 6.55 -1.23 -0.57 115.95 120.97 3i3j h TRP 1129Ca 0.00 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 3i3j h TRP 1129Cb 0.61 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 28.67 3i3j h TRP 1129CO 0.11 0.40 -0.02 1.25 -1.05 0.00 0.00 178.44 179.14 3i3j h LEU 1130N 0.73 0.04 -0.26 -4.49 5.85 -0.91 -3.34 115.31 112.93 3i3j h LEU 1130Ca 0.26 -0.53 -0.20 0.00 0.84 0.00 0.00 57.88 58.25 3i3j h LEU 1130Cb 0.13 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3i3j h LEU 1130CO -0.08 0.57 -0.89 0.22 -0.34 0.00 0.00 178.44 177.92 3i3j h TYR 1131N -0.48 0.38 -2.74 1.25 3.20 -0.86 -3.46 116.97 114.27 3i3j h TYR 1131Ca 0.00 -0.21 -0.66 0.00 3.14 0.00 0.00 58.73 61.01 3i3j h TYR 1131Cb 0.56 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 3i3j h TYR 1131CO 0.11 1.02 -0.43 -0.80 -1.64 0.00 0.00 178.16 176.42 3i3j s ASN 1132N -6.97 6.46 0.40 -2.11 0.01 -0.24 -5.06 114.94 107.43 3i3j s ASN 1132Ca -0.04 0.55 -0.27 0.00 -0.71 0.00 0.00 52.86 52.39 3i3j s ASN 1132Cb 0.10 -2.10 -0.10 0.00 0.41 0.00 0.00 41.25 39.55 3i3j s ASN 1132CO 0.84 0.38 1.46 0.54 -1.51 0.00 0.00 177.10 178.81 3i3j n ARG 1133N 2.02 2.50 0.12 -0.60 1.74 -1.26 -4.79 116.66 116.39 3i3j n ARG 1133Ca -0.19 0.88 0.08 0.00 -0.77 0.00 0.00 57.85 57.86 3i3j n ARG 1133Cb 0.54 -2.63 0.44 0.00 -1.02 0.00 0.00 32.46 29.79 3i3j n ARG 1133CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i3j n LYS 1134N 0.24 0.11 -0.15 5.56 -0.00 -1.26 -0.19 118.16 122.47 3i3j n LYS 1134Ca 0.03 0.58 0.12 0.00 -0.00 0.00 0.00 58.31 59.04 3i3j n LYS 1134Cb 0.39 -1.84 0.19 0.00 -0.00 0.00 0.00 35.03 33.78 3i3j n LYS 1134CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i3j n THR 1135N -2.06 0.38 -2.40 0.58 -2.24 -1.26 -4.73 114.28 102.55 3i3j n THR 1135Ca -0.01 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 3i3j n THR 1135Cb 0.05 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.61 6.46 0.13 3.42 1.04 0.73 -4.97 113.70 118.90 3i3j s SER 1136Ca 0.36 1.35 -0.19 0.00 0.48 0.00 0.00 55.95 57.96 3i3j s SER 1136Cb 0.22 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 3i3j s SER 1136CO 0.31 -0.61 1.74 -0.09 0.98 0.00 0.00 173.24 175.57 3i3j h ARG 1137N 0.61 0.14 -0.86 4.02 2.43 -1.94 -2.56 114.38 116.22 3i3j h ARG 1137Ca -0.46 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.72 3i3j h ARG 1137Cb 1.19 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 3i3j h ARG 1137CO 0.62 0.09 0.57 0.28 -1.51 0.00 0.00 179.97 180.02 3i3j h VAL 1138N 0.14 1.20 -0.40 0.20 2.07 -1.94 0.58 116.25 118.11 3i3j h VAL 1138Ca 0.10 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3i3j h VAL 1138Cb 0.09 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 3i3j h VAL 1138CO -0.13 0.21 0.17 0.22 0.02 0.00 0.00 177.57 178.06 3i3j h TYR 1139N 1.14 0.31 -0.36 1.57 3.20 -1.75 0.13 116.97 121.20 3i3j h TYR 1139Ca 0.32 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.10 3i3j h TYR 1139Cb -0.09 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3i3j h TYR 1139CO -0.01 0.15 -0.19 0.87 -1.64 0.00 0.00 178.16 177.33 3i3j h LYS 1140N 0.35 0.77 -0.30 1.82 6.56 -0.98 -1.89 116.57 122.90 3i3j h LYS 1140Ca 0.18 -0.35 0.07 0.00 -1.06 0.00 0.00 60.65 59.48 3i3j h LYS 1140Cb 0.12 -0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 31.70 3i3j h LYS 1140CO -0.15 0.97 -0.13 1.88 -2.06 0.00 0.00 179.45 179.96 3i3j h TYR 1141N 0.56 -0.30 -0.63 -1.35 -1.99 -0.69 -1.60 116.97 110.96 3i3j h TYR 1141Ca 0.08 0.03 0.12 0.00 2.00 0.00 0.00 58.73 60.96 3i3j h TYR 1141Cb 0.75 0.18 -0.09 0.00 2.00 0.00 0.00 36.73 39.57 3i3j h TYR 1141CO 0.06 -0.20 0.16 0.00 -0.00 0.00 0.00 178.16 178.19 3i3j h SER 1143N 0.30 0.95 -0.22 0.00 0.02 -0.75 -0.38 113.55 113.47 3i3j h SER 1143Ca 0.34 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3i3j h SER 1143Cb 0.50 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3i3j h SER 1143CO -0.40 0.78 0.14 0.50 -1.14 0.00 0.00 176.83 176.70 3i3j h LYS 1144N 1.04 0.29 -0.41 3.45 1.63 -0.41 -1.62 116.57 120.54 3i3j h LYS 1144Ca 0.26 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.09 3i3j h LYS 1144Cb 0.05 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 3i3j h LYS 1144CO -0.04 0.22 0.14 -0.07 -3.45 0.00 0.00 179.45 176.25 3i3j h LEU 1145N 0.28 0.14 -0.75 5.20 3.38 -0.75 -1.23 115.31 121.58 3i3j h LEU 1145Ca 0.08 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.26 3i3j h LEU 1145Cb -0.00 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.65 3i3j h LEU 1145CO -0.02 0.11 -0.06 -1.28 0.09 0.00 0.00 178.44 177.29 3i3j h SER 1146N 0.30 -0.46 -0.51 -0.43 0.87 -0.66 0.16 113.55 112.81 3i3j h SER 1146Ca 0.19 0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.83 3i3j h SER 1146Cb 0.18 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3i3j h SER 1146CO -0.20 -0.21 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.42 3i3j h GLU 1147N 0.06 1.02 -0.16 2.24 5.08 -0.47 -1.99 114.58 120.36 3i3j h GLU 1147Ca 0.40 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3i3j h GLU 1147Cb 0.68 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3i3j h GLU 1147CO -0.70 1.08 0.06 0.28 -1.00 0.00 0.00 179.01 178.73 3i3j h VAL 1148N 0.89 1.16 -0.38 3.13 2.07 -0.38 -2.99 116.25 119.76 3i3j h VAL 1148Ca 0.13 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3i3j h VAL 1148Cb 0.72 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3i3j h VAL 1148CO 0.06 0.15 0.03 0.15 0.02 0.00 0.00 177.57 177.97 3i3j h PHE 1149N 0.11 0.04 -0.81 1.57 3.57 -0.57 -1.80 116.94 119.04 3i3j h PHE 1149Ca 0.05 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3i3j h PHE 1149Cb 0.17 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 3i3j h PHE 1149CO -0.01 -0.04 0.49 0.93 -2.23 0.00 0.00 178.31 177.45 3i3j h GLU 1150N 0.14 0.88 -0.35 1.11 5.08 -1.30 0.33 114.58 120.47 3i3j h GLU 1150Ca 0.18 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3i3j h GLU 1150Cb 0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3i3j h GLU 1150CO -0.28 0.58 -0.15 1.96 -1.00 0.00 0.00 179.01 180.12 3i3j h GLN 1151N 0.91 0.64 -0.01 2.33 4.20 -1.35 -3.19 115.11 118.64 3i3j h GLN 1151Ca 0.35 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3i3j h GLN 1151Cb 0.16 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3i3j h GLN 1151CO -0.17 0.76 -0.02 0.93 -0.67 0.00 0.00 178.83 179.67 3i3j h GLU 1152N 0.58 0.02 -0.01 1.46 4.39 -0.23 -3.39 114.58 117.40 3i3j h GLU 1152Ca 0.10 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 3i3j h GLU 1152Cb 0.59 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3i3j h GLU 1152CO 0.04 0.64 -0.76 0.97 -1.16 0.00 0.00 179.01 178.74 3i3j h ILE 1153N -0.59 1.49 0.24 3.13 6.09 -0.48 -3.35 117.51 124.03 3i3j h ILE 1153Ca -0.00 -2.45 0.01 0.00 -1.37 0.00 0.00 64.86 61.04 3i3j h ILE 1153Cb 0.64 2.33 -0.03 0.00 0.47 0.00 0.00 36.82 40.23 3i3j h ILE 1153CO 0.00 0.71 -0.35 0.44 -3.07 0.00 0.00 178.15 175.89 3i3j h ASP 1154N 0.07 -0.97 -0.23 2.19 5.19 -1.74 -0.95 116.42 119.98 3i3j h ASP 1154Ca -0.02 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3i3j h ASP 1154Cb 1.33 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 41.17 3i3j h ASP 1154CO 0.11 -0.46 0.05 -0.65 -3.12 0.00 0.00 179.24 175.17 3i3j h PRO 1155N -0.65 0.46 -0.41 3.56 0.11 -1.82 -2.78 132.00 130.47 3i3j h PRO 1155Ca 0.00 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 3i3j h PRO 1155Cb 0.63 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 3i3j h PRO 1155CO -0.13 0.45 -0.01 0.28 -0.21 0.00 0.00 178.00 178.38 3i3j h VAL 1156N 0.45 1.26 -0.60 3.15 2.07 -1.60 -2.87 116.25 118.12 3i3j h VAL 1156Ca 0.11 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3i3j h VAL 1156Cb 0.22 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3i3j h VAL 1156CO 0.00 0.35 0.12 0.24 0.02 0.00 0.00 177.57 178.30 3i3j h MET 1157N 0.57 0.95 -0.68 1.57 2.86 -0.92 -2.57 114.93 116.71 3i3j h MET 1157Ca 0.12 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3i3j h MET 1157Cb 0.50 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 3i3j h MET 1157CO 0.02 0.87 0.44 1.96 1.06 0.00 0.00 176.91 181.26 3i3j h GLN 1158N 0.91 0.86 0.00 1.72 4.20 -1.42 -1.58 115.11 119.79 3i3j h GLN 1158Ca 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3i3j h GLN 1158Cb 0.37 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3i3j h GLN 1158CO 0.01 0.57 0.00 0.43 -0.67 0.00 0.00 178.83 179.16 3i3j n SER 1159N -4.64 0.51 -0.75 1.46 7.64 -0.99 -5.14 113.62 111.71 3i3j n SER 1159Ca 0.06 0.65 0.09 0.00 1.01 0.00 0.00 58.87 60.69 3i3j n SER 1159Cb 0.05 -0.75 0.08 0.00 -1.01 0.00 0.00 64.21 62.58 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21