#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 3.71 -0.24 0.58 -5.25 -1.26 -5.04 121.20 113.69 3i3j s ILE 1048Ca 0.00 1.41 -0.06 0.00 -0.99 0.00 0.00 60.65 61.01 3i3j s ILE 1048Cb 0.00 -3.90 -0.01 0.00 2.95 0.00 0.00 42.46 41.50 3i3j s ILE 1048CO 0.00 0.21 0.02 -0.36 -1.79 0.00 0.00 174.94 173.02 3i3j s PHE 1049N 0.07 3.04 0.12 1.37 0.08 -1.26 -5.07 117.98 116.33 3i3j s PHE 1049Ca 0.53 -0.76 -0.31 0.00 0.12 0.00 0.00 56.93 56.51 3i3j s PHE 1049Cb -0.31 -2.18 -0.10 0.00 -0.57 0.00 0.00 43.02 39.86 3i3j s PHE 1049CO 0.35 -0.48 1.71 -1.59 -0.10 0.00 0.00 175.22 175.10 3i3j s LYS 1050N 1.53 4.17 0.41 0.44 -2.85 -1.26 -4.88 119.74 117.31 3i3j s LYS 1050Ca 0.05 2.46 0.19 0.00 -1.00 0.00 0.00 55.97 57.67 3i3j s LYS 1050Cb -0.15 -3.45 1.12 0.00 -2.06 0.00 0.00 37.83 33.29 3i3j s LYS 1050CO 0.00 -0.75 1.81 -1.35 0.10 0.00 0.00 175.35 175.16 3i3j h PRO 1051N 7.95 0.37 0.02 1.78 0.11 -1.95 0.12 132.00 140.40 3i3j h PRO 1051Ca -0.44 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 3i3j h PRO 1051Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3i3j h PRO 1051CO 0.94 0.24 -0.94 1.49 -0.21 0.00 0.00 178.00 179.52 3i3j h GLU 1052N 0.38 0.19 -0.65 1.05 4.57 -1.97 -1.63 114.58 116.53 3i3j h GLU 1052Ca 0.54 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 3i3j h GLU 1052Cb 1.40 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.03 3i3j h GLU 1052CO -0.23 1.00 0.19 0.93 -1.18 0.00 0.00 179.01 179.72 3i3j h GLU 1053N 0.09 1.00 0.29 1.92 3.07 -1.17 -1.22 114.58 118.56 3i3j h GLU 1053Ca -0.05 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 3i3j h GLU 1053Cb 1.60 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 3i3j h GLU 1053CO 0.14 0.86 -0.14 1.25 -1.40 0.00 0.00 179.01 179.73 3i3j h LEU 1054N 0.96 -0.33 -0.60 1.33 5.85 -1.30 -2.65 115.31 118.57 3i3j h LEU 1054Ca 0.21 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.85 3i3j h LEU 1054Cb 0.29 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 3i3j h LEU 1054CO -0.01 0.10 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.06 3i3j h ARG 1055N -0.83 0.08 -0.69 1.25 2.43 -1.24 0.66 114.38 116.04 3i3j h ARG 1055Ca -0.04 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3i3j h ARG 1055Cb 0.51 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3i3j h ARG 1055CO 0.06 0.05 0.32 0.37 -1.51 0.00 0.00 179.97 179.27 3i3j h GLN 1056N 0.08 0.99 0.07 0.20 5.75 -1.26 -0.42 115.11 120.53 3i3j h GLN 1056Ca 0.31 -0.14 -0.24 0.00 -0.15 0.00 0.00 58.65 58.43 3i3j h GLN 1056Cb 0.49 -0.18 0.02 0.00 1.07 0.00 0.00 27.48 28.88 3i3j h GLN 1056CO -0.55 0.77 -0.98 0.00 -2.65 0.00 0.00 178.83 175.42 3i3j h ALA 1057N 1.37 0.02 0.01 3.38 0.00 -0.83 -3.38 119.26 119.83 3i3j h ALA 1057Ca 0.24 -0.69 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 3i3j h ALA 1057Cb 0.11 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3i3j h ALA 1057CO -0.03 0.55 -1.39 -0.07 0.00 0.00 0.00 179.25 178.31 3i3j h LEU 1058N 0.11 0.02 -0.66 0.00 3.38 -0.85 -3.38 115.31 113.92 3i3j h LEU 1058Ca -0.14 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3i3j h LEU 1058Cb 1.68 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.37 3i3j h LEU 1058CO 0.19 1.02 0.38 -0.03 0.09 0.00 0.00 178.44 180.09 3i3j h MET 1059N 0.00 0.69 -0.84 1.13 4.05 -1.24 -1.51 114.93 117.21 3i3j h MET 1059Ca -0.16 -0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.32 3i3j h MET 1059Cb 1.91 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 32.49 3i3j h MET 1059CO 0.10 0.46 0.55 -1.35 0.23 0.00 0.00 176.91 176.90 3i3j h PRO 1060N 0.71 0.72 -0.16 0.39 0.11 -1.78 0.20 132.00 132.20 3i3j h PRO 1060Ca 0.29 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 3i3j h PRO 1060Cb 0.15 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3i3j h PRO 1060CO -0.16 0.48 -0.43 1.79 -0.21 0.00 0.00 178.00 179.46 3i3j h THR 1061N 0.74 1.31 -0.05 -1.15 1.35 -1.52 -0.80 112.91 112.80 3i3j h THR 1061Ca 0.40 -1.59 -0.17 0.00 -0.55 0.00 0.00 66.41 64.49 3i3j h THR 1061Cb 0.52 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3i3j h THR 1061CO -0.17 0.49 -0.72 0.25 -0.25 0.00 0.00 175.52 175.12 3i3j h LEU 1062N 0.31 0.34 -0.62 3.87 5.85 -0.83 -2.99 115.31 121.23 3i3j h LEU 1062Ca 0.02 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 3i3j h LEU 1062Cb 0.89 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3i3j h LEU 1062CO 0.07 0.95 0.06 -0.33 -0.34 0.00 0.00 178.44 178.86 3i3j h GLU 1063N 0.19 1.05 -0.91 1.25 5.08 -0.24 -1.79 114.58 119.22 3i3j h GLU 1063Ca -0.03 -0.30 0.06 0.00 -1.00 0.00 0.00 59.36 58.09 3i3j h GLU 1063Cb 1.29 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 3i3j h GLU 1063CO 0.12 1.00 0.57 0.00 -1.00 0.00 0.00 179.01 179.70 3i3j h ALA 1064N 1.01 1.25 -0.38 3.43 0.00 -1.08 0.33 119.26 123.82 3i3j h ALA 1064Ca 0.18 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3i3j h ALA 1064Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i3j h ALA 1064CO 0.02 0.34 -0.25 -0.07 0.00 0.00 0.00 179.25 179.29 3i3j h LEU 1065N 1.05 0.89 -1.19 0.00 3.38 -1.38 -2.99 115.31 115.07 3i3j h LEU 1065Ca 0.39 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3i3j h LEU 1065Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3i3j h LEU 1065CO -0.17 1.13 -0.12 0.22 0.09 0.00 0.00 178.44 179.59 3i3j h TYR 1066N 0.65 0.45 -0.01 1.13 3.20 -0.41 -2.47 116.97 119.51 3i3j h TYR 1066Ca 0.08 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3i3j h TYR 1066Cb 0.83 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3i3j h TYR 1066CO 0.06 0.53 -0.02 0.54 -1.64 0.00 0.00 178.16 177.64 3i3j n ARG 1067N -4.23 1.22 -2.25 1.82 1.74 0.02 -4.73 116.66 110.25 3i3j n ARG 1067Ca 0.00 -0.43 -0.42 0.00 -0.77 0.00 0.00 57.85 56.23 3i3j n ARG 1067Cb 0.30 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.07 3.28 -0.13 5.56 -1.52 -0.93 -4.98 119.66 118.86 3i3j s GLN 1068Ca 0.41 0.78 -0.01 0.00 -1.95 0.00 0.00 55.36 54.59 3i3j s GLN 1068Cb 0.21 -4.15 -0.02 0.00 -0.22 0.00 0.00 33.01 28.83 3i3j s GLN 1068CO 0.37 -1.95 -0.09 0.34 -0.25 0.00 0.00 175.29 173.72 3i3j s ASP 1069N 5.16 4.39 0.00 5.90 2.15 -1.26 -0.61 116.67 132.40 3i3j s ASP 1069Ca 0.62 -0.21 0.26 0.00 0.43 0.00 0.00 52.55 53.65 3i3j s ASP 1069Cb -0.14 -1.59 0.71 0.00 -0.30 0.00 0.00 42.92 41.60 3i3j s ASP 1069CO 0.28 0.20 1.54 -0.81 -0.17 0.00 0.00 175.17 176.21 3i3j n PRO 1070N 3.32 1.40 -0.33 4.34 -0.05 -1.26 -4.95 135.00 137.46 3i3j n PRO 1070Ca -0.18 -0.93 0.11 0.00 -0.05 0.00 0.00 63.50 62.45 3i3j n PRO 1070Cb 0.53 -1.48 0.31 0.00 -0.05 0.00 0.00 33.50 32.81 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 2.26 0.80 0.00 0.54 3.07 -1.89 -1.42 114.58 117.95 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 0.60 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 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 -4.64 0.33 -0.24 1.42 3.41 0.22 -4.18 113.62 109.95 3i3j n SER 1072Ca 0.20 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.39 3i3j n SER 1072Cb 0.46 -0.63 0.16 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.10 0.00 1.04 3.38 -1.46 0.75 115.31 118.92 3i3j h LEU 1073Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i3j h LEU 1073Cb 0.54 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3i3j h LEU 1073CO 0.00 -0.08 0.00 -2.65 0.09 0.00 0.00 178.44 175.80 3i3j n PRO 1074N -5.21 0.16 -0.22 1.13 -0.02 -1.26 -3.28 135.00 126.30 3i3j n PRO 1074Ca 0.13 0.14 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 3i3j n PRO 1074Cb 0.44 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.37 0.50 0.42 6.00 3.72 0.25 -4.67 117.46 122.31 3i3j n PHE 1075Ca 0.07 -0.62 0.12 0.00 -0.05 0.00 0.00 57.45 56.97 3i3j n PHE 1075Cb 0.18 -0.11 0.10 0.00 -0.94 0.00 0.00 39.48 38.71 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 1.61 0.00 -4.17 -1.08 3.08 -1.52 0.71 114.38 113.01 3i3j h ARG 1076Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3i3j h ARG 1076Cb 0.90 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.75 3i3j h ARG 1076CO 0.06 0.00 -0.70 1.14 -1.07 0.00 0.00 179.97 179.39 3i3j s GLN 1077N -3.23 0.42 0.60 0.04 0.00 -1.26 -3.64 119.66 112.59 3i3j s GLN 1077Ca 0.04 -0.77 -0.19 0.00 -0.00 0.00 0.00 55.36 54.44 3i3j s GLN 1077Cb 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 33.01 33.12 3i3j s GLN 1077CO 0.75 -0.04 1.05 -2.30 0.00 0.00 0.00 175.29 174.75 3i3j n PRO 1078N 1.27 1.00 -2.36 9.60 -0.02 -1.26 -4.86 135.00 138.36 3i3j n PRO 1078Ca -0.22 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 3i3j n PRO 1078Cb 0.56 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3i3j n PRO 1078CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i3j s VAL 1079N -1.47 3.62 -0.53 -1.45 1.01 -1.26 -5.01 120.40 115.31 3i3j s VAL 1079Ca 0.77 1.31 0.01 0.00 0.00 0.00 0.00 61.98 64.06 3i3j s VAL 1079Cb -0.41 -3.84 0.14 0.00 0.00 0.00 0.00 36.38 32.27 3i3j s VAL 1079CO 0.46 0.18 0.30 -0.62 0.00 0.00 0.00 175.10 175.42 3i3j s ASP 1080N 0.35 4.82 0.47 3.32 -1.08 -1.26 -4.96 116.67 118.33 3i3j s ASP 1080Ca 0.55 -2.74 0.13 0.00 -0.52 0.00 0.00 52.55 49.96 3i3j s ASP 1080Cb -0.32 -1.74 1.10 0.00 -1.46 0.00 0.00 42.92 40.50 3i3j s ASP 1080CO 0.35 -0.33 2.11 -0.65 0.52 0.00 0.00 175.17 177.16 3i3j h PRO 1081N 7.00 0.22 0.84 4.34 0.11 -1.95 -0.54 132.00 142.02 3i3j h PRO 1081Ca -0.06 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3i3j h PRO 1081Cb 0.95 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3i3j h PRO 1081CO 0.68 0.15 -0.49 0.37 -0.21 0.00 0.00 178.00 178.50 3i3j h GLN 1082N 0.23 -1.19 -0.07 1.05 4.15 -1.93 -0.88 115.11 116.47 3i3j h GLN 1082Ca 0.07 0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 3i3j h GLN 1082Cb 0.01 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 3i3j h GLN 1082CO -0.01 -0.79 0.03 -0.07 -1.93 0.00 0.00 178.83 176.06 3i3j h LEU 1083N -1.23 0.10 -0.43 -2.39 3.38 -1.88 -2.86 115.31 110.00 3i3j h LEU 1083Ca -0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3i3j h LEU 1083Cb 0.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3i3j h LEU 1083CO 0.13 0.20 0.00 0.18 0.09 0.00 0.00 178.44 179.05 3i3j n LEU 1084N -4.96 0.44 -2.51 1.67 4.77 -0.26 -4.90 117.00 111.25 3i3j n LEU 1084Ca -0.06 0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 3i3j n LEU 1084Cb 0.09 -0.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.70 3i3j n LEU 1084CO 0.34 -0.43 0.12 0.61 -1.33 0.00 0.00 177.39 176.69 3i3j n GLY 1085N 0.07 -0.03 2.34 -0.72 0.00 -0.55 -4.99 105.19 101.30 3i3j n GLY 1085Ca 0.03 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.61 0.51 -0.04 -0.61 -5.35 -0.44 -4.98 119.36 104.83 3i3j n ILE 1086Ca -0.08 -4.45 0.19 0.00 -0.27 0.00 0.00 62.75 58.14 3i3j n ILE 1086Cb 0.57 -2.00 0.64 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 4.31 0.10 -0.00 6.28 0.11 -1.94 -1.80 132.00 139.06 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 0.80 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3i3j h PRO 1087CO 0.60 0.07 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 3i3j n ASP 1088N -4.40 0.02 -0.17 -2.05 5.75 -1.26 -4.10 116.55 110.34 3i3j n ASP 1088Ca 0.11 -0.94 -0.03 0.00 -0.01 0.00 0.00 54.79 53.92 3i3j n ASP 1088Cb 0.59 -0.02 0.07 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 0.04 0.35 0.00 2.11 3.20 -1.73 -1.66 116.97 119.29 3i3j h TYR 1089Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3i3j h TYR 1089Cb 0.03 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3i3j h TYR 1089CO 0.00 0.12 0.00 1.19 -1.64 0.00 0.00 178.16 177.83 3i3j n PHE 1090N -4.98 0.82 0.05 -3.82 3.72 -1.26 -0.03 117.46 111.96 3i3j n PHE 1090Ca 0.06 0.25 -0.04 0.00 -0.05 0.00 0.00 57.45 57.67 3i3j n PHE 1090Cb 0.20 -0.91 0.17 0.00 -0.94 0.00 0.00 39.48 38.00 3i3j n PHE 1090CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3i3j h ASP 1091N 0.00 0.39 0.04 4.37 3.32 -1.56 -3.35 116.42 119.63 3i3j h ASP 1091Ca 0.00 -0.17 -0.34 0.00 0.02 0.00 0.00 57.03 56.54 3i3j h ASP 1091Cb 0.64 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 3i3j h ASP 1091CO 0.00 0.77 -1.89 -0.38 -1.72 0.00 0.00 179.24 176.01 3i3j n ILE 1092N -4.02 1.61 -3.42 0.35 2.08 -0.87 -4.83 119.36 110.26 3i3j n ILE 1092Ca -0.02 -0.38 -0.44 0.00 0.56 0.00 0.00 62.75 62.48 3i3j n ILE 1092Cb 0.50 -1.83 -0.07 0.00 -0.75 0.00 0.00 39.64 37.49 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 4.95 0.05 1.39 1.01 0.96 -4.94 120.40 121.35 3i3j s VAL 1093Ca -0.29 -1.32 0.09 0.00 0.00 0.00 0.00 61.98 60.46 3i3j s VAL 1093Cb 0.08 -4.06 -0.19 0.00 0.00 0.00 0.00 36.38 32.21 3i3j s VAL 1093CO 0.64 -0.67 1.14 0.11 0.00 0.00 0.00 175.10 176.31 3i3j h LYS 1094N 8.70 0.00 -2.88 2.72 1.79 -1.86 -3.40 116.57 121.64 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 0.82 -0.72 -1.12 -1.08 0.00 0.00 179.45 178.25 3i3j s SER 1095N -6.52 3.61 0.36 0.86 0.01 -1.26 -5.11 113.70 105.66 3i3j s SER 1095Ca -0.00 -3.32 -0.27 0.00 1.31 0.00 0.00 55.95 53.67 3i3j s SER 1095Cb 0.09 -1.18 -0.12 0.00 0.21 0.00 0.00 66.02 65.03 3i3j s SER 1095CO 0.82 -0.16 1.18 -2.65 0.41 0.00 0.00 173.24 172.84 3i3j n PRO 1096N 2.62 1.81 -3.80 12.44 -0.02 -1.26 -4.91 135.00 141.88 3i3j n PRO 1096Ca 0.19 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3i3j n PRO 1096Cb 0.38 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 3i3j n PRO 1096CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i3j s MET 1097N -1.91 0.83 0.20 -0.52 1.75 -1.26 -5.04 119.30 113.35 3i3j s MET 1097Ca 0.58 -0.75 -0.23 0.00 -1.25 0.00 0.00 55.69 54.05 3i3j s MET 1097Cb -0.58 0.35 0.06 0.00 2.84 0.00 0.00 34.83 37.50 3i3j s MET 1097CO 0.60 -0.27 0.91 0.16 -0.65 0.00 0.00 175.02 175.77 3i3j s ASP 1098N -2.50 -0.16 0.28 1.11 -4.77 -1.26 -4.73 116.67 104.65 3i3j s ASP 1098Ca 0.00 -0.53 -0.01 0.00 -3.30 0.00 0.00 52.55 48.71 3i3j s ASP 1098Cb 0.02 0.57 0.41 0.00 -1.09 0.00 0.00 42.92 42.83 3i3j s ASP 1098CO -0.08 -1.06 1.81 -0.07 0.70 0.00 0.00 175.17 176.48 3i3j h LEU 1099N 2.00 0.73 -0.18 2.11 3.38 -1.11 -2.10 115.31 120.13 3i3j h LEU 1099Ca -0.24 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 3i3j h LEU 1099Cb 1.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3i3j h LEU 1099CO 0.27 0.75 -0.36 0.77 0.09 0.00 0.00 178.44 179.96 3i3j h SER 1100N 0.74 0.63 -0.86 -0.43 4.64 -1.74 -1.26 113.55 115.26 3i3j h SER 1100Ca 0.16 -0.55 0.06 0.00 -0.47 0.00 0.00 61.79 60.99 3i3j h SER 1100Cb 0.34 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.19 3i3j h SER 1100CO 0.01 1.06 0.54 0.74 -0.87 0.00 0.00 176.83 178.30 3i3j h THR 1101N 0.23 1.05 -0.45 2.95 2.02 -1.86 -1.04 112.91 115.81 3i3j h THR 1101Ca 0.01 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 3i3j h THR 1101Cb 0.95 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3i3j h THR 1101CO 0.08 0.18 -0.12 0.40 0.37 0.00 0.00 175.52 176.43 3i3j h ILE 1102N 0.98 1.26 -0.32 3.11 2.04 -1.17 -1.32 117.51 122.09 3i3j h ILE 1102Ca 0.38 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3i3j h ILE 1102Cb 0.16 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3i3j h ILE 1102CO -0.17 0.41 0.14 0.50 0.00 0.00 0.00 178.15 179.03 3i3j h LYS 1103N 0.74 0.48 -0.48 2.37 1.63 -0.76 -1.09 116.57 119.47 3i3j h LYS 1103Ca 0.12 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3i3j h LYS 1103Cb 0.62 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 3i3j h LYS 1103CO 0.04 0.48 0.31 0.00 -3.45 0.00 0.00 179.45 176.83 3i3j h ARG 1104N 0.38 0.61 -0.44 1.90 2.47 -0.95 0.69 114.38 119.03 3i3j h ARG 1104Ca 0.11 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 3i3j h ARG 1104Cb 0.17 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3i3j h ARG 1104CO -0.01 0.40 0.11 0.87 0.56 0.00 0.00 179.97 181.90 3i3j h LYS 1105N 0.63 0.66 -0.52 0.04 1.57 -1.06 0.29 116.57 118.17 3i3j h LYS 1105Ca 0.18 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3i3j h LYS 1105Cb -0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3i3j h LYS 1105CO -0.05 0.60 -0.11 1.25 -0.57 0.00 0.00 179.45 180.57 3i3j h LEU 1106N 0.64 1.00 -0.22 2.94 5.85 -0.65 0.75 115.31 125.61 3i3j h LEU 1106Ca 0.15 -0.35 -0.21 0.00 0.84 0.00 0.00 57.88 58.30 3i3j h LEU 1106Cb 0.23 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3i3j h LEU 1106CO -0.00 1.12 -0.72 0.44 -0.34 0.00 0.00 178.44 178.94 3i3j h ASP 1107N 0.86 0.91 -0.10 1.25 3.32 -0.22 -3.07 116.42 119.38 3i3j h ASP 1107Ca 0.13 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3i3j h ASP 1107Cb 0.67 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3i3j h ASP 1107CO 0.05 1.36 0.00 0.35 -1.72 0.00 0.00 179.24 179.28 3i3j n THR 1108N -3.94 0.12 -1.52 0.35 -2.24 0.03 -4.89 114.28 102.19 3i3j n THR 1108Ca -0.06 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 3i3j n THR 1108Cb 0.71 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.82 0.76 0.07 3.38 0.00 -1.06 -4.90 105.19 104.27 3i3j n GLY 1109Ca 0.10 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.49 0.77 -3.68 1.61 7.27 0.23 -4.57 117.38 116.53 3i3j n GLN 1110Ca -0.09 -0.15 -0.38 0.00 0.07 0.00 0.00 57.00 56.45 3i3j n GLN 1110Cb 0.37 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.41 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 3.16 0.04 3.69 2.02 -1.25 -4.96 117.35 117.73 3i3j s TYR 1111Ca 0.35 -0.53 0.10 0.00 -0.37 0.00 0.00 57.07 56.61 3i3j s TYR 1111Cb 0.21 -2.33 -0.19 0.00 -0.40 0.00 0.00 41.96 39.25 3i3j s TYR 1111CO 0.43 -0.43 1.11 1.96 -1.57 0.00 0.00 175.55 177.06 3i3j h GLN 1112N 8.32 0.00 -4.03 -0.62 1.08 -1.95 -3.47 115.11 114.44 3i3j h GLN 1112Ca -0.33 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.68 3i3j h GLN 1112Cb 1.15 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.37 3i3j h GLN 1112CO 0.60 0.79 -0.70 -1.21 -0.95 0.00 0.00 178.83 177.36 3i3j s GLU 1113N -2.71 0.33 0.23 1.46 2.02 -1.26 -4.36 118.70 114.41 3i3j s GLU 1113Ca -0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.31 3i3j s GLU 1113Cb 0.09 0.07 0.40 0.00 0.10 0.00 0.00 34.13 34.79 3i3j s GLU 1113CO 0.81 -0.04 1.71 -1.35 0.02 0.00 0.00 175.26 176.42 3i3j h PRO 1114N 4.66 0.33 -0.51 0.39 0.11 -1.99 -1.77 132.00 133.23 3i3j h PRO 1114Ca -0.32 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.90 3i3j h PRO 1114Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3i3j h PRO 1114CO 0.41 0.22 0.36 0.11 -0.21 0.00 0.00 178.00 178.89 3i3j h TRP 1115N 0.34 0.09 -0.79 0.65 5.08 -1.99 0.11 115.95 119.44 3i3j h TRP 1115Ca 0.38 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.31 3i3j h TRP 1115Cb 0.58 -0.03 -0.03 0.00 -3.00 0.00 0.00 29.16 26.68 3i3j h TRP 1115CO -0.21 0.04 0.32 1.96 -1.28 0.00 0.00 178.44 179.27 3i3j h GLN 1116N 0.08 1.17 0.03 0.12 4.20 -1.75 0.10 115.11 119.06 3i3j h GLN 1116Ca 0.24 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3i3j h GLN 1116Cb 0.85 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3i3j h GLN 1116CO -0.02 0.94 -0.02 -0.92 -0.67 0.00 0.00 178.83 178.15 3i3j h TYR 1117N 1.14 -0.04 -0.72 2.96 3.20 -0.89 -2.65 116.97 119.98 3i3j h TYR 1117Ca 0.26 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.28 3i3j h TYR 1117Cb 0.20 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.38 3i3j h TYR 1117CO 0.02 0.40 0.20 0.28 -1.64 0.00 0.00 178.16 177.42 3i3j h VAL 1118N -0.50 0.57 -0.97 1.81 2.07 -1.13 -0.07 116.25 118.02 3i3j h VAL 1118Ca -0.00 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3i3j h VAL 1118Cb 0.46 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3i3j h VAL 1118CO 0.01 0.06 0.63 0.44 0.02 0.00 0.00 177.57 178.72 3i3j h ASP 1119N 0.31 0.98 -0.39 0.57 5.19 -0.74 -0.70 116.42 121.64 3i3j h ASP 1119Ca 0.40 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.69 3i3j h ASP 1119Cb 0.65 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 3i3j h ASP 1119CO -0.47 0.61 -0.26 0.44 -3.12 0.00 0.00 179.24 176.44 3i3j h ASP 1120N 1.10 0.91 -0.16 6.45 3.32 -0.69 0.01 116.42 127.36 3i3j h ASP 1120Ca 0.43 -0.43 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3i3j h ASP 1120Cb 0.23 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3i3j h ASP 1120CO -0.18 1.14 -0.07 0.40 -1.72 0.00 0.00 179.24 178.82 3i3j h ILE 1121N 0.68 0.77 -0.02 0.35 1.08 -0.77 -1.03 117.51 118.57 3i3j h ILE 1121Ca 0.08 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.47 3i3j h ILE 1121Cb 0.83 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 3i3j h ILE 1121CO 0.07 0.00 -0.34 -0.50 -0.69 0.00 0.00 178.15 176.69 3i3j h TRP 1122N -0.05 0.04 -0.52 1.37 4.06 -0.99 -1.73 115.95 118.12 3i3j h TRP 1122Ca 0.09 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 3i3j h TRP 1122Cb 0.17 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 3i3j h TRP 1122CO -0.21 0.37 0.09 1.25 -3.56 0.00 0.00 178.44 176.38 3i3j h LEU 1123N 0.03 0.83 -0.01 -4.49 5.85 -0.62 0.18 115.31 117.08 3i3j h LEU 1123Ca 0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3i3j h LEU 1123Cb 0.62 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3i3j h LEU 1123CO 0.05 0.88 0.00 -0.03 -0.34 0.00 0.00 178.44 178.99 3i3j h MET 1124N 0.75 0.01 0.11 1.25 4.05 -0.74 -1.09 114.93 119.27 3i3j h MET 1124Ca 0.16 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3i3j h MET 1124Cb 0.40 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3i3j h MET 1124CO 0.01 0.00 -0.13 0.74 0.23 0.00 0.00 176.91 177.77 3i3j h PHE 1125N 0.01 -0.32 -0.77 1.39 0.04 -1.07 -2.68 116.94 113.54 3i3j h PHE 1125Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.80 3i3j h PHE 1125Cb 0.00 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 3i3j h PHE 1125CO -0.08 -0.19 0.51 -0.91 -0.60 0.00 0.00 178.31 177.03 3i3j h ASN 1126N -0.27 0.85 -0.58 2.17 2.35 -0.60 -0.91 115.58 118.60 3i3j h ASN 1126Ca 0.01 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.81 3i3j h ASN 1126Cb 0.27 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 3i3j h ASN 1126CO -0.04 0.61 0.26 0.78 -1.65 0.00 0.00 177.43 177.39 3i3j h ASN 1127N 1.00 0.34 -0.07 5.81 2.35 -1.01 -0.03 115.58 123.97 3i3j h ASN 1127Ca 0.29 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 3i3j h ASN 1127Cb -0.06 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3i3j h ASN 1127CO -0.07 0.22 -0.07 0.00 -1.65 0.00 0.00 177.43 175.86 3i3j h ALA 1128N 1.35 0.10 -0.65 -0.83 0.00 -0.92 -0.32 119.26 117.98 3i3j h ALA 1128Ca 0.27 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3i3j h ALA 1128Cb 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i3j h ALA 1128CO -0.22 -0.08 0.43 -1.49 0.00 0.00 0.00 179.25 177.88 3i3j h TRP 1129N -0.26 0.71 -0.04 0.00 6.55 -1.18 -0.51 115.95 121.22 3i3j h TRP 1129Ca 0.01 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3i3j h TRP 1129Cb 0.58 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 3i3j h TRP 1129CO 0.09 0.39 -0.07 1.25 -1.05 0.00 0.00 178.44 179.06 3i3j h LEU 1130N 0.72 0.12 -0.02 -4.49 5.85 -0.77 -3.35 115.31 113.38 3i3j h LEU 1130Ca 0.27 -0.55 -0.21 0.00 0.84 0.00 0.00 57.88 58.23 3i3j h LEU 1130Cb 0.17 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3i3j h LEU 1130CO -0.08 0.65 -1.00 0.22 -0.34 0.00 0.00 178.44 177.89 3i3j h TYR 1131N -0.40 0.02 -2.72 1.25 3.20 -0.84 -3.46 116.97 114.03 3i3j h TYR 1131Ca 0.00 -0.02 -0.66 0.00 3.14 0.00 0.00 58.73 61.19 3i3j h TYR 1131Cb 0.63 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.83 3i3j h TYR 1131CO 0.11 1.00 -0.46 -0.80 -1.64 0.00 0.00 178.16 176.38 3i3j s ASN 1132N -6.74 6.41 0.45 -2.11 0.01 -0.22 -5.07 114.94 107.67 3i3j s ASN 1132Ca 0.01 0.49 -0.25 0.00 -0.71 0.00 0.00 52.86 52.40 3i3j s ASN 1132Cb 0.10 -2.09 -0.09 0.00 0.41 0.00 0.00 41.25 39.59 3i3j s ASN 1132CO 0.82 0.38 1.33 0.54 -1.51 0.00 0.00 177.10 178.66 3i3j n ARG 1133N 2.10 1.99 0.10 -0.60 3.00 -1.26 -4.78 116.66 117.21 3i3j n ARG 1133Ca -0.19 0.71 0.08 0.00 -0.01 0.00 0.00 57.85 58.44 3i3j n ARG 1133Cb 0.55 -2.49 0.39 0.00 0.00 0.00 0.00 32.46 30.91 3i3j n ARG 1133CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3i3j n LYS 1134N -0.18 0.10 -0.11 5.56 2.85 -1.26 -0.45 118.16 124.68 3i3j n LYS 1134Ca 0.07 0.50 0.11 0.00 -1.05 0.00 0.00 58.31 57.94 3i3j n LYS 1134Cb 0.41 -1.77 0.16 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.98 0.31 -2.50 0.58 -2.24 -1.26 -4.72 114.28 102.47 3i3j n THR 1135Ca 0.00 -0.66 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 3i3j n THR 1135Cb 0.09 1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.58 6.66 0.16 3.42 1.04 0.41 -4.98 113.70 118.83 3i3j s SER 1136Ca 0.32 1.63 -0.18 0.00 0.48 0.00 0.00 55.95 58.20 3i3j s SER 1136Cb 0.20 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.87 3i3j s SER 1136CO 0.29 -0.56 1.68 -0.09 0.98 0.00 0.00 173.24 175.54 3i3j h ARG 1137N 1.19 -0.00 -0.79 4.02 2.43 -1.94 -2.61 114.38 116.68 3i3j h ARG 1137Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3i3j h ARG 1137Cb 1.19 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 3i3j h ARG 1137CO 0.61 -0.00 0.50 0.28 -1.51 0.00 0.00 179.97 179.85 3i3j h VAL 1138N -0.00 1.21 -0.53 0.20 2.07 -1.93 0.83 116.25 118.09 3i3j h VAL 1138Ca 0.17 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3i3j h VAL 1138Cb 0.26 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3i3j h VAL 1138CO -0.37 0.21 0.26 0.22 0.02 0.00 0.00 177.57 177.92 3i3j h TYR 1139N 1.08 0.48 -0.27 1.57 3.20 -1.75 1.00 116.97 122.28 3i3j h TYR 1139Ca 0.29 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.05 3i3j h TYR 1139Cb -0.09 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 3i3j h TYR 1139CO -0.01 0.23 -0.34 0.87 -1.64 0.00 0.00 178.16 177.26 3i3j h LYS 1140N 0.51 0.70 -0.65 1.82 6.56 -1.03 -2.06 116.57 122.42 3i3j h LYS 1140Ca 0.24 -0.40 0.12 0.00 -1.06 0.00 0.00 60.65 59.54 3i3j h LYS 1140Cb 0.16 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 31.76 3i3j h LYS 1140CO -0.17 1.02 0.21 1.88 -2.06 0.00 0.00 179.45 180.32 3i3j h TYR 1141N 0.43 0.35 -0.28 -1.35 -1.99 -0.65 -1.22 116.97 112.27 3i3j h TYR 1141Ca 0.03 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.81 3i3j h TYR 1141Cb 0.92 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 3i3j h TYR 1141CO 0.08 0.03 0.15 0.00 -0.00 0.00 0.00 178.16 178.42 3i3j h SER 1143N 0.32 0.68 -0.02 0.00 0.02 -0.90 0.05 113.55 113.70 3i3j h SER 1143Ca 0.11 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3i3j h SER 1143Cb 0.01 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3i3j h SER 1143CO -0.06 0.44 -0.04 0.50 -1.14 0.00 0.00 176.83 176.53 3i3j h LYS 1144N 0.81 -0.05 -0.59 3.45 1.63 -0.37 -1.84 116.57 119.61 3i3j h LYS 1144Ca 0.33 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.20 3i3j h LYS 1144Cb 0.18 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.76 3i3j h LYS 1144CO -0.18 -0.04 0.28 -0.07 -3.45 0.00 0.00 179.45 176.00 3i3j h LEU 1145N -0.06 0.36 -0.61 5.20 3.38 -0.57 -1.14 115.31 121.87 3i3j h LEU 1145Ca 0.02 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.17 3i3j h LEU 1145Cb 0.08 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 3i3j h LEU 1145CO -0.05 0.23 -0.02 -1.28 0.09 0.00 0.00 178.44 177.42 3i3j h SER 1146N 0.51 -0.31 -0.74 -0.43 0.87 -0.68 0.19 113.55 112.97 3i3j h SER 1146Ca 0.28 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.94 3i3j h SER 1146Cb 0.25 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3i3j h SER 1146CO -0.22 -0.13 0.24 -0.33 -0.53 0.00 0.00 176.83 175.86 3i3j h GLU 1147N 0.10 1.14 -0.14 2.24 5.08 -0.44 -2.04 114.58 120.52 3i3j h GLU 1147Ca 0.32 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3i3j h GLU 1147Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3i3j h GLU 1147CO -0.54 0.97 0.05 0.28 -1.00 0.00 0.00 179.01 178.77 3i3j h VAL 1148N 1.09 1.17 -0.47 3.13 2.07 -0.16 -2.92 116.25 120.16 3i3j h VAL 1148Ca 0.24 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.33 3i3j h VAL 1148Cb 0.30 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3i3j h VAL 1148CO -0.01 0.16 0.03 0.15 0.02 0.00 0.00 177.57 177.91 3i3j h PHE 1149N 0.05 0.02 -0.73 1.57 3.57 -0.56 -1.72 116.94 119.14 3i3j h PHE 1149Ca 0.04 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.65 3i3j h PHE 1149Cb 0.20 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 3i3j h PHE 1149CO -0.01 -0.08 0.40 0.93 -2.23 0.00 0.00 178.31 177.33 3i3j h GLU 1150N 0.14 0.69 -0.25 1.11 5.08 -1.26 0.38 114.58 120.47 3i3j h GLU 1150Ca 0.24 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 3i3j h GLU 1150Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i3j h GLU 1150CO -0.37 0.46 -0.34 1.96 -1.00 0.00 0.00 179.01 179.72 3i3j h GLN 1151N 0.72 0.54 -0.07 2.33 4.20 -1.31 -3.17 115.11 118.34 3i3j h GLN 1151Ca 0.34 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3i3j h GLN 1151Cb 0.27 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3i3j h GLN 1151CO -0.22 0.80 -0.13 0.93 -0.67 0.00 0.00 178.83 179.55 3i3j h GLU 1152N 0.46 0.22 0.01 1.46 4.39 -0.21 -3.39 114.58 117.50 3i3j h GLU 1152Ca 0.05 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 3i3j h GLU 1152Cb 0.81 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3i3j h GLU 1152CO 0.07 0.72 -0.87 0.97 -1.16 0.00 0.00 179.01 178.73 3i3j h ILE 1153N -0.26 1.56 0.23 3.13 6.09 -0.36 -3.36 117.51 124.54 3i3j h ILE 1153Ca 0.00 -2.81 0.01 0.00 -1.37 0.00 0.00 64.86 60.70 3i3j h ILE 1153Cb 0.71 2.54 -0.03 0.00 0.47 0.00 0.00 36.82 40.51 3i3j h ILE 1153CO 0.03 0.81 -0.30 0.44 -3.07 0.00 0.00 178.15 176.06 3i3j h ASP 1154N 0.04 -0.83 -0.37 2.19 5.19 -1.74 -0.75 116.42 120.15 3i3j h ASP 1154Ca -0.03 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 3i3j h ASP 1154Cb 1.52 0.30 -0.02 0.00 0.18 0.00 0.00 39.33 41.30 3i3j h ASP 1154CO 0.12 -0.41 0.15 -0.65 -3.12 0.00 0.00 179.24 175.33 3i3j h PRO 1155N -0.58 0.60 -0.37 3.56 0.11 -1.82 -2.76 132.00 130.74 3i3j h PRO 1155Ca 0.00 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 3i3j h PRO 1155Cb 0.56 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3i3j h PRO 1155CO -0.11 0.51 0.02 0.28 -0.21 0.00 0.00 178.00 178.50 3i3j h VAL 1156N 0.60 1.25 -0.62 3.15 2.07 -1.57 -2.87 116.25 118.25 3i3j h VAL 1156Ca 0.15 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3i3j h VAL 1156Cb 0.15 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3i3j h VAL 1156CO -0.01 0.31 0.20 0.24 0.02 0.00 0.00 177.57 178.33 3i3j h MET 1157N 0.47 0.94 -0.71 1.57 2.86 -0.88 -2.49 114.93 116.68 3i3j h MET 1157Ca 0.11 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3i3j h MET 1157Cb 0.42 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3i3j h MET 1157CO 0.01 0.80 0.47 1.96 1.06 0.00 0.00 176.91 181.21 3i3j h GLN 1158N 0.91 0.94 0.00 1.72 4.20 -1.40 -1.72 115.11 119.76 3i3j h GLN 1158Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3i3j h GLN 1158Cb 0.25 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3i3j h GLN 1158CO -0.01 0.62 0.00 0.43 -0.67 0.00 0.00 178.83 179.20 3i3j n SER 1159N -4.59 0.49 -0.74 1.46 7.64 -0.96 -5.14 113.62 111.79 3i3j n SER 1159Ca 0.06 0.64 0.09 0.00 1.01 0.00 0.00 58.87 60.68 3i3j n SER 1159Cb 0.02 -0.74 0.08 0.00 -1.01 0.00 0.00 64.21 62.56 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21