#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5n s ILE 1053N 0.00 5.25 -0.53 3.57 1.01 -1.26 -5.04 121.20 124.20 3i5n s ILE 1053Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 3i5n s ILE 1053Cb 0.00 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.86 3i5n s ILE 1053CO 0.00 -0.07 0.47 -0.62 0.00 0.00 0.00 174.94 174.72 3i5n s ASP 1054N 1.71 6.10 0.52 3.58 2.15 -1.26 -4.94 116.67 124.52 3i5n s ASP 1054Ca 0.06 -1.82 0.27 0.00 0.43 0.00 0.00 52.55 51.49 3i5n s ASP 1054Cb -0.18 -2.17 1.41 0.00 -0.30 0.00 0.00 42.92 41.68 3i5n s ASP 1054CO 0.10 -0.83 2.06 -0.07 -0.17 0.00 0.00 175.17 176.26 3i5n h LEU 1055N 8.81 0.00 -0.93 -1.34 3.38 -1.97 -2.74 115.31 120.52 3i5n h LEU 1055Ca -0.28 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 3i5n h LEU 1055Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3i5n h LEU 1055CO 1.01 0.13 -0.48 -1.28 0.09 0.00 0.00 178.44 177.90 3i5n h SER 1056N 0.00 0.14 1.08 -0.43 0.87 -1.99 -3.03 113.55 110.18 3i5n h SER 1056Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3i5n h SER 1056Cb 0.35 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3i5n h SER 1056CO 0.02 0.60 0.00 0.00 -0.53 0.00 0.00 176.83 176.92 3i5n h ALA 1057N 1.41 1.00 -2.44 6.23 0.00 -1.92 -3.45 119.26 120.09 3i5n h ALA 1057Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.42 3i5n h ALA 1057Cb 0.89 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.75 3i5n h ALA 1057CO 0.07 0.00 0.41 -0.51 0.00 0.00 0.00 179.25 179.22 3i5n s LEU 1058N -5.76 2.99 0.11 0.00 1.43 -1.15 -4.96 118.68 111.34 3i5n s LEU 1058Ca 0.03 1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 54.05 3i5n s LEU 1058Cb 0.09 -4.10 -0.10 0.00 0.03 0.00 0.00 46.19 42.11 3i5n s LEU 1058CO 0.53 -1.24 1.84 0.21 0.23 0.00 0.00 176.35 177.93 3i5n s ASN 1059N -4.27 6.43 0.46 2.29 3.84 -1.26 -4.89 114.94 117.53 3i5n s ASN 1059Ca 0.57 2.75 0.24 0.00 0.21 0.00 0.00 52.86 56.64 3i5n s ASN 1059Cb -0.11 -2.56 1.26 0.00 -0.55 0.00 0.00 41.25 39.29 3i5n s ASN 1059CO 0.53 -1.01 1.81 1.55 -2.79 0.00 0.00 177.10 177.19 3i5n h PRO 1060N 8.81 0.24 0.00 0.43 0.13 -1.91 0.17 132.00 139.87 3i5n h PRO 1060Ca -0.46 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3i5n h PRO 1060Cb 1.22 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i5n h PRO 1060CO 0.95 0.16 -0.07 0.93 -0.23 0.00 0.00 178.00 179.73 3i5n h GLU 1061N 0.24 0.00 -0.02 0.86 4.39 -2.00 -3.21 114.58 114.84 3i5n h GLU 1061Ca 0.54 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.24 3i5n h GLU 1061Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 3i5n h GLU 1061CO -0.17 0.07 -0.23 1.28 -1.16 0.00 0.00 179.01 178.80 3i5n n LEU 1062N -4.15 2.47 -0.05 1.33 4.77 0.60 -4.57 117.00 117.42 3i5n n LEU 1062Ca -0.03 -0.88 -0.08 0.00 -0.03 0.00 0.00 56.01 54.99 3i5n n LEU 1062Cb 0.15 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3i5n n LEU 1062CO 0.32 0.43 0.86 0.58 -1.33 0.00 0.00 177.39 178.25 3i5n h VAL 1063N 3.48 0.84 0.00 4.08 2.07 -1.56 -2.31 116.25 122.86 3i5n h VAL 1063Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3i5n h VAL 1063Cb 0.86 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3i5n h VAL 1063CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3i5n n GLN 1064N -5.14 0.17 0.00 1.57 3.00 -1.26 -2.24 117.38 113.47 3i5n n GLN 1064Ca -0.02 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.56 3i5n n GLN 1064Cb 0.12 -1.86 0.51 0.00 0.00 0.00 0.00 30.24 29.01 3i5n n GLN 1064CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i5n n ALA 1065N -1.75 2.84 -0.12 -1.58 0.00 -0.87 -3.99 120.51 115.04 3i5n n ALA 1065Ca 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 3i5n n ALA 1065Cb 0.18 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 3i5n n ALA 1065CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i5n h VAL 1066N 0.18 1.27 0.00 0.00 2.07 -1.50 -3.11 116.25 115.16 3i5n h VAL 1066Ca 0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3i5n h VAL 1066Cb 0.45 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3i5n h VAL 1066CO 0.00 0.51 -0.02 0.06 0.02 0.00 0.00 177.57 178.14 3i5n h GLN 1067N 0.76 0.00 0.00 1.57 3.07 -1.78 -1.73 115.11 117.01 3i5n h GLN 1067Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 3i5n h GLN 1067Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.48 3i5n h GLN 1067CO 0.09 0.02 -0.88 0.72 0.09 0.00 0.00 178.83 178.86 3i5n n HIS 1068N -4.16 0.69 -0.06 0.06 8.25 -1.18 -4.16 115.22 114.65 3i5n n HIS 1068Ca -0.03 0.20 -0.07 0.00 -0.26 0.00 0.00 57.72 57.56 3i5n n HIS 1068Cb 0.10 -0.75 -0.15 0.00 1.12 0.00 0.00 29.99 30.31 3i5n n HIS 1068CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3i5n n VAL 1069N -2.34 1.33 -2.83 1.59 0.24 -0.90 -4.91 118.33 110.51 3i5n n VAL 1069Ca 0.01 -0.80 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 3i5n n VAL 1069Cb 0.49 -0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 32.22 3i5n n VAL 1069CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i5n s VAL 1070N -2.63 4.85 -0.26 3.34 1.01 -0.70 -0.52 120.40 125.50 3i5n s VAL 1070Ca -0.08 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.53 3i5n s VAL 1070Cb 0.07 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3i5n s VAL 1070CO 0.83 0.02 0.23 -0.63 0.00 0.00 0.00 175.10 175.56 3i5n s ILE 1071N 2.10 5.29 0.20 2.22 1.01 0.12 -4.87 121.20 127.27 3i5n s ILE 1071Ca 0.41 0.30 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 3i5n s ILE 1071Cb -0.17 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 3i5n s ILE 1071CO 0.14 0.26 1.61 -0.83 0.00 0.00 0.00 174.94 176.12 3i5n s GLY 1072N 1.44 1.58 0.61 6.18 0.00 -1.26 -4.10 107.32 111.78 3i5n s GLY 1072Ca 0.10 1.46 0.28 0.00 0.00 0.00 0.00 44.72 46.56 3i5n s GLY 1072CO 0.08 2.67 1.86 -0.56 0.00 0.00 0.00 173.10 177.16 3i5n h PRO 1073N 6.42 0.00 -0.00 2.90 0.13 -1.94 0.17 132.00 139.68 3i5n h PRO 1073Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3i5n h PRO 1073Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i5n h PRO 1073CO 0.90 0.00 -0.14 -1.13 -0.23 0.00 0.00 178.00 177.41 3i5n n SER 1074N -3.43 0.25 -0.56 1.44 3.41 -1.26 -3.53 113.62 109.94 3i5n n SER 1074Ca 0.05 -0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.70 3i5n n SER 1074Cb 0.61 -0.18 0.10 0.00 -0.26 0.00 0.00 64.21 64.48 3i5n n SER 1074CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i5n n SER 1075N -1.29 2.08 -3.92 4.04 7.64 0.59 -4.90 113.62 117.85 3i5n n SER 1075Ca 0.10 -1.54 -0.27 0.00 1.01 0.00 0.00 58.87 58.17 3i5n n SER 1075Cb 0.31 0.30 -0.17 0.00 -1.01 0.00 0.00 64.21 63.63 3i5n n SER 1075CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3i5n s LEU 1076N -2.35 1.25 -0.23 -3.43 2.96 -1.23 -0.91 118.68 114.73 3i5n s LEU 1076Ca 0.23 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.73 3i5n s LEU 1076Cb 0.19 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 3i5n s LEU 1076CO 0.49 -0.12 0.06 -0.63 -1.32 0.00 0.00 176.35 174.83 3i5n s ILE 1077N 1.69 4.29 -0.11 6.68 1.01 -0.59 -4.96 121.20 129.21 3i5n s ILE 1077Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.53 3i5n s ILE 1077Cb -0.13 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3i5n s ILE 1077CO -0.08 0.37 -0.17 0.54 0.00 0.00 0.00 174.94 175.60 3i5n s VAL 1078N 1.38 2.76 -0.79 2.92 0.11 -1.26 -0.22 120.40 125.30 3i5n s VAL 1078Ca 0.05 -0.78 -0.17 0.00 -2.93 0.00 0.00 61.98 58.15 3i5n s VAL 1078Cb -0.15 -2.12 0.16 0.00 -1.53 0.00 0.00 36.38 32.74 3i5n s VAL 1078CO 0.03 0.54 0.86 -1.00 -3.33 0.00 0.00 175.10 172.20 3i5n s HIS 1079N 0.16 3.34 -1.85 1.54 3.76 -0.45 -4.89 115.29 116.90 3i5n s HIS 1079Ca -0.09 -1.51 0.24 0.00 -0.15 0.00 0.00 55.06 53.55 3i5n s HIS 1079Cb -0.15 -4.02 1.38 0.00 1.11 0.00 0.00 32.58 30.90 3i5n s HIS 1079CO 0.06 -1.23 1.81 1.19 -0.85 0.00 0.00 174.74 175.71 3i5n n PHE 1080N 5.45 0.00 0.53 1.40 3.01 -1.26 -3.09 117.46 123.50 3i5n n PHE 1080Ca 0.10 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.69 3i5n n PHE 1080Cb 0.46 -0.08 0.30 0.00 -0.01 0.00 0.00 39.48 40.16 3i5n n PHE 1080CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3i5n h ASN 1081N 0.00 0.00 -3.37 4.37 2.35 -1.98 -3.43 115.58 113.52 3i5n h ASN 1081Ca 0.00 -0.05 -0.59 0.00 -0.55 0.00 0.00 56.30 55.12 3i5n h ASN 1081Cb 0.06 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.03 3i5n h ASN 1081CO 0.00 0.02 -0.76 -1.61 -1.65 0.00 0.00 177.43 173.43 3i5n s GLU 1082N -3.14 1.03 -0.09 0.81 2.02 -1.18 -5.11 118.70 113.04 3i5n s GLU 1082Ca 0.09 -1.02 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 3i5n s GLU 1082Cb 0.11 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 3i5n s GLU 1082CO 0.64 -0.81 0.96 0.08 0.02 0.00 0.00 175.26 176.15 3i5n s VAL 1083N 1.52 4.83 -0.38 2.63 1.01 -1.26 -4.03 120.40 124.72 3i5n s VAL 1083Ca 0.04 1.96 0.14 0.00 0.00 0.00 0.00 61.98 64.12 3i5n s VAL 1083Cb -0.18 -4.28 -0.18 0.00 0.00 0.00 0.00 36.38 31.74 3i5n s VAL 1083CO -0.15 0.05 0.47 2.30 0.00 0.00 0.00 175.10 177.78 3i5n n ILE 1084N 4.39 0.00 -3.55 2.22 -5.35 -0.78 -5.02 119.36 111.27 3i5n n ILE 1084Ca 0.07 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 3i5n n ILE 1084Cb 0.49 0.64 -0.05 0.00 -1.74 0.00 0.00 39.64 38.98 3i5n n ILE 1084CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i5n s GLY 1085N -2.90 -0.39 -0.09 3.28 0.00 -1.24 -5.01 107.32 100.98 3i5n s GLY 1085Ca 0.01 1.75 0.04 0.00 0.00 0.00 0.00 44.72 46.51 3i5n s GLY 1085CO 0.58 0.99 -0.20 0.50 0.00 0.00 0.00 173.10 174.98 3i5n s ARG 1086N -1.16 2.58 0.35 2.90 0.52 -1.26 -1.20 118.95 121.68 3i5n s ARG 1086Ca -0.05 -0.73 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 3i5n s ARG 1086Cb -0.00 -2.00 -0.07 0.00 0.52 0.00 0.00 34.95 33.40 3i5n s ARG 1086CO 0.05 0.14 -0.00 0.20 0.02 0.00 0.00 175.30 175.71 3i5n s GLY 1087N 0.41 2.21 0.29 -3.53 0.00 -0.71 -4.56 107.32 101.43 3i5n s GLY 1087Ca -0.17 -2.13 0.01 0.00 0.00 0.00 0.00 44.72 42.43 3i5n s GLY 1087CO 0.07 -1.95 1.81 0.84 0.00 0.00 0.00 173.10 173.86 3i5n h HIS 1088N 2.01 0.73 0.00 1.90 2.76 -1.90 -3.07 115.15 117.57 3i5n h HIS 1088Ca -0.42 -0.09 -0.09 0.00 -2.20 0.00 0.00 60.37 57.57 3i5n h HIS 1088Cb 1.24 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 3i5n h HIS 1088CO 0.68 0.68 -0.69 0.74 -1.30 0.00 0.00 177.93 178.04 3i5n h PHE 1089N 0.65 0.00 0.00 5.26 0.05 -1.91 -3.43 116.94 117.57 3i5n h PHE 1089Ca 0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.92 3i5n h PHE 1089Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.35 3i5n h PHE 1089CO 0.02 0.37 0.00 0.41 -0.18 0.00 0.00 178.31 178.93 3i5n n GLY 1090N 1.24 1.41 3.88 -1.45 0.00 -1.16 -1.19 105.19 107.91 3i5n n GLY 1090Ca -0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3i5n n GLY 1090CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5n s VAL 1092N -2.59 3.10 0.14 0.00 0.11 -0.34 -0.55 120.40 120.26 3i5n s VAL 1092Ca 0.51 -1.14 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 3i5n s VAL 1092Cb -0.10 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 3i5n s VAL 1092CO 0.38 0.29 -0.09 -0.31 -3.33 0.00 0.00 175.10 172.03 3i5n s TYR 1093N -1.01 1.21 0.56 1.54 1.51 0.76 -1.86 117.35 120.05 3i5n s TYR 1093Ca 0.17 -0.79 -0.21 0.00 -1.01 0.00 0.00 57.07 55.23 3i5n s TYR 1093Cb -0.11 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 3i5n s TYR 1093CO 0.08 0.04 1.33 -1.01 -1.11 0.00 0.00 175.55 174.89 3i5n s HIS 1094N -3.38 2.28 -0.05 2.71 3.76 -1.26 -0.42 115.29 118.94 3i5n s HIS 1094Ca 0.16 1.40 -0.11 0.00 -0.15 0.00 0.00 55.06 56.36 3i5n s HIS 1094Cb 0.03 -3.76 0.02 0.00 1.11 0.00 0.00 32.58 29.99 3i5n s HIS 1094CO -0.00 -2.82 0.26 0.20 -0.85 0.00 0.00 174.74 171.53 3i5n s GLY 1095N -1.06 -0.14 -0.24 -2.22 0.00 0.04 -1.34 107.32 102.35 3i5n s GLY 1095Ca 0.73 0.43 -0.01 0.00 0.00 0.00 0.00 44.72 45.87 3i5n s GLY 1095CO 0.45 0.28 -0.08 -1.59 0.00 0.00 0.00 173.10 172.16 3i5n s THR 1096N -0.73 2.75 -0.11 0.90 2.01 0.70 -0.91 115.64 120.26 3i5n s THR 1096Ca -0.08 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 3i5n s THR 1096Cb -0.04 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 3i5n s THR 1096CO 0.02 0.22 0.05 -0.22 -0.69 0.00 0.00 174.62 174.00 3i5n s LEU 1097N 1.31 3.85 -0.21 4.42 2.96 -0.63 -1.54 118.68 128.84 3i5n s LEU 1097Ca 0.00 0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 3i5n s LEU 1097Cb -0.16 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3i5n s LEU 1097CO -0.05 0.37 0.06 -0.22 -1.32 0.00 0.00 176.35 175.18 3i5n s LEU 1098N -0.80 3.60 0.88 -0.68 2.96 -0.09 -1.71 118.68 122.84 3i5n s LEU 1098Ca 0.13 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.85 3i5n s LEU 1098Cb -0.12 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.76 3i5n s LEU 1098CO 0.03 0.08 1.10 -1.81 -1.32 0.00 0.00 176.35 174.43 3i5n s ASP 1099N 0.93 3.69 0.40 3.68 -0.00 -0.92 -4.86 116.67 119.59 3i5n s ASP 1099Ca 0.03 1.31 0.14 0.00 -0.00 0.00 0.00 52.55 54.04 3i5n s ASP 1099Cb -0.14 -1.99 0.99 0.00 -0.00 0.00 0.00 42.92 41.79 3i5n s ASP 1099CO 0.03 -2.48 1.87 0.78 -0.00 0.00 0.00 175.17 175.37 3i5n h ASN 1100N -1.44 0.48 0.01 0.27 2.35 -1.99 -1.16 115.58 114.10 3i5n h ASN 1100Ca -0.50 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3i5n h ASN 1100Cb 1.29 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3i5n h ASN 1100CO 0.58 0.22 -0.01 -0.78 -1.65 0.00 0.00 177.43 175.79 3i5n h ASP 1101N 0.50 -0.02 0.00 5.81 3.58 -2.05 -3.48 116.42 120.76 3i5n h ASP 1101Ca 0.44 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 57.20 3i5n h ASP 1101Cb 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 3i5n h ASP 1101CO -0.18 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.49 3i5n n GLY 1102N 0.88 0.57 3.81 -0.78 0.00 -0.44 -5.15 105.19 104.08 3i5n n GLY 1102Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3i5n n GLY 1102CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5n s LYS 1103N 0.00 3.79 -0.47 1.61 1.02 -1.26 -4.75 119.74 119.69 3i5n s LYS 1103Ca 0.00 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.55 3i5n s LYS 1103Cb 0.00 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.04 3i5n s LYS 1103CO 0.00 0.56 1.16 0.21 -0.92 0.00 0.00 175.35 176.35 3i5n s LYS 1104N -0.39 3.73 -0.04 1.68 2.20 -1.26 -2.17 119.74 123.49 3i5n s LYS 1104Ca 0.12 0.61 0.06 0.00 -0.36 0.00 0.00 55.97 56.40 3i5n s LYS 1104Cb -0.12 -3.91 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 3i5n s LYS 1104CO 0.02 -1.38 -0.20 0.96 -0.36 0.00 0.00 175.35 174.39 3i5n s ILE 1105N 4.49 2.59 0.12 5.43 -4.36 -0.69 -4.99 121.20 123.80 3i5n s ILE 1105Ca 0.49 -0.90 -0.29 0.00 -0.26 0.00 0.00 60.65 59.69 3i5n s ILE 1105Cb -0.08 -1.97 -0.06 0.00 1.25 0.00 0.00 42.46 41.60 3i5n s ILE 1105CO 0.31 0.59 0.91 -2.28 0.24 0.00 0.00 174.94 174.71 3i5n s HIS 1106N -0.66 3.83 0.15 1.37 5.65 -1.26 -1.60 115.29 122.77 3i5n s HIS 1106Ca 0.10 1.75 -0.03 0.00 0.25 0.00 0.00 55.06 57.13 3i5n s HIS 1106Cb -0.10 -2.99 -0.03 0.00 -1.18 0.00 0.00 32.58 28.28 3i5n s HIS 1106CO -0.00 0.27 0.14 0.00 -0.65 0.00 0.00 174.74 174.50 3i5n s ALA 1108N -4.04 2.73 -0.25 0.00 0.00 0.13 -0.78 121.76 119.54 3i5n s ALA 1108Ca 0.25 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 3i5n s ALA 1108Cb 0.06 -1.41 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 3i5n s ALA 1108CO 0.03 0.03 0.00 0.08 0.00 0.00 0.00 175.76 175.90 3i5n s VAL 1109N 0.71 3.58 -0.17 0.00 1.01 0.44 -0.37 120.40 125.60 3i5n s VAL 1109Ca -0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3i5n s VAL 1109Cb -0.15 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3i5n s VAL 1109CO 0.02 0.28 0.10 -0.75 0.00 0.00 0.00 175.10 174.75 3i5n s LYS 1110N 1.48 3.92 0.32 2.72 2.20 0.58 -0.17 119.74 130.79 3i5n s LYS 1110Ca 0.04 -0.26 -0.09 0.00 -0.36 0.00 0.00 55.97 55.30 3i5n s LYS 1110Cb -0.16 -3.27 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 3i5n s LYS 1110CO -0.01 0.39 0.64 -1.12 -0.36 0.00 0.00 175.35 174.89 3i5n s SER 1111N 0.07 6.54 -0.40 1.43 0.01 0.28 -1.63 113.70 119.99 3i5n s SER 1111Ca 0.07 0.95 0.04 0.00 1.31 0.00 0.00 55.95 58.32 3i5n s SER 1111Cb -0.12 -2.24 0.46 0.00 0.21 0.00 0.00 66.02 64.33 3i5n s SER 1111CO -0.00 -0.24 1.46 0.18 0.41 0.00 0.00 173.24 175.05 3i5n n LEU 1112N -0.84 5.74 0.28 2.44 4.77 -1.26 -3.72 117.00 124.40 3i5n n LEU 1112Ca 0.01 -4.58 -0.17 0.00 -0.03 0.00 0.00 56.01 51.24 3i5n n LEU 1112Cb 0.54 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 3i5n n LEU 1112CO 0.47 1.89 0.56 -1.13 -1.33 0.00 0.00 177.39 177.85 3i5n h ASN 1113N 2.08 -1.23 0.00 -1.43 -1.24 -1.80 -3.46 115.58 108.50 3i5n h ASN 1113Ca 0.44 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.55 3i5n h ASN 1113Cb 1.32 0.41 0.00 0.00 0.73 0.00 0.00 38.32 40.78 3i5n h ASN 1113CO 1.00 -0.62 0.00 0.54 -1.29 0.00 0.00 177.43 177.06 3i5n n ARG 1114N -5.54 0.62 -1.55 6.67 1.74 -0.34 -5.00 116.66 113.26 3i5n n ARG 1114Ca -0.11 0.00 -0.59 0.00 -0.77 0.00 0.00 57.85 56.38 3i5n n ARG 1114Cb 0.43 -1.17 -0.08 0.00 -1.02 0.00 0.00 32.46 30.62 3i5n n ARG 1114CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i5n n GLU 1120N -0.11 0.23 -0.03 5.56 2.13 -1.26 -4.95 120.64 122.21 3i5n n GLU 1120Ca 0.00 0.08 -0.06 0.00 0.66 0.00 0.00 57.16 57.84 3i5n n GLU 1120Cb 0.09 -1.61 0.12 0.00 0.27 0.00 0.00 31.44 30.31 3i5n n GLU 1120CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i5n h VAL 1121N 3.35 1.28 -0.81 6.31 2.07 -1.99 -1.46 116.25 125.00 3i5n h VAL 1121Ca -0.50 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 65.63 3i5n h VAL 1121Cb 1.40 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 3i5n h VAL 1121CO 0.72 0.45 0.53 -1.28 0.02 0.00 0.00 177.57 178.01 3i5n h SER 1122N 0.53 0.90 -0.28 0.57 0.87 -1.93 -2.06 113.55 112.15 3i5n h SER 1122Ca 0.06 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 3i5n h SER 1122Cb 0.78 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3i5n h SER 1122CO 0.06 0.64 -0.09 -0.61 -0.53 0.00 0.00 176.83 176.30 3i5n h GLN 1123N 1.06 0.55 -0.65 2.24 5.75 -1.87 -2.73 115.11 119.46 3i5n h GLN 1123Ca 0.31 -0.22 0.09 0.00 -0.15 0.00 0.00 58.65 58.68 3i5n h GLN 1123Cb -0.07 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.39 3i5n h GLN 1123CO -0.09 0.76 0.30 0.35 -2.65 0.00 0.00 178.83 177.50 3i5n h PHE 1124N 0.30 0.53 -0.43 3.99 3.57 -1.12 -1.50 116.94 122.27 3i5n h PHE 1124Ca 0.07 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3i5n h PHE 1124Cb 0.57 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3i5n h PHE 1124CO 0.05 0.19 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.21 3i5n h LEU 1125N 0.52 0.79 -0.91 0.59 3.38 -1.35 -2.05 115.31 116.28 3i5n h LEU 1125Ca 0.32 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3i5n h LEU 1125Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3i5n h LEU 1125CO -0.26 0.93 -0.01 0.71 0.09 0.00 0.00 178.44 179.90 3i5n h THR 1126N 0.63 1.24 -0.51 0.22 1.35 -1.24 0.20 112.91 114.80 3i5n h THR 1126Ca 0.12 -1.01 0.03 0.00 -0.55 0.00 0.00 66.41 65.00 3i5n h THR 1126Cb 0.55 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 67.83 3i5n h THR 1126CO 0.03 0.36 0.29 -0.08 -0.25 0.00 0.00 175.52 175.86 3i5n h GLU 1127N 0.73 0.55 -0.58 4.72 4.57 -1.17 -0.23 114.58 123.18 3i5n h GLU 1127Ca 0.14 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 3i5n h GLU 1127Cb 0.46 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3i5n h GLU 1127CO 0.02 0.37 -0.04 0.78 -1.18 0.00 0.00 179.01 178.96 3i5n h GLY 1128N 0.57 1.13 0.96 1.92 0.00 -0.75 -2.45 103.07 104.45 3i5n h GLY 1128Ca 0.21 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3i5n h GLY 1128CO -0.11 0.78 0.21 -2.22 0.00 0.00 0.00 176.54 175.20 3i5n h ILE 1129N 0.95 1.18 -0.69 2.60 2.04 -0.31 -1.15 117.51 122.13 3i5n h ILE 1129Ca 0.16 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 3i5n h ILE 1129Cb 0.60 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3i5n h ILE 1129CO 0.04 0.20 0.25 0.40 0.00 0.00 0.00 178.15 179.04 3i5n h ILE 1130N 0.57 1.25 -0.36 -0.67 1.08 -1.03 -3.10 117.51 115.26 3i5n h ILE 1130Ca 0.15 -0.81 -0.12 0.00 -0.39 0.00 0.00 64.86 63.68 3i5n h ILE 1130Cb 0.13 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 3i5n h ILE 1130CO -0.02 0.32 -0.28 -0.03 -0.69 0.00 0.00 178.15 177.45 3i5n h MET 1131N 0.99 0.76 -0.02 2.37 4.05 -1.25 -3.05 114.93 118.78 3i5n h MET 1131Ca 0.23 -0.33 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 3i5n h MET 1131Cb 0.25 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 3i5n h MET 1131CO -0.01 0.95 -0.24 0.87 0.23 0.00 0.00 176.91 178.70 3i5n h LYS 1132N 0.65 0.04 0.00 0.39 1.57 -1.16 -2.65 116.57 115.41 3i5n h LYS 1132Ca 0.08 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3i5n h LYS 1132Cb 0.80 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3i5n h LYS 1132CO 0.07 0.28 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.71 3i5n h ASP 1133N 0.03 0.00 -2.89 0.86 5.19 -1.46 -3.43 116.42 114.73 3i5n h ASP 1133Ca 0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.87 3i5n h ASP 1133Cb 0.44 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 3i5n h ASP 1133CO 0.03 0.08 0.86 -0.36 -3.12 0.00 0.00 179.24 176.72 3i5n s PHE 1134N -3.55 2.79 -0.18 4.55 0.40 -1.00 -5.01 117.98 115.98 3i5n s PHE 1134Ca 0.02 0.78 -0.04 0.00 -0.60 0.00 0.00 56.93 57.09 3i5n s PHE 1134Cb 0.08 -3.67 0.08 0.00 0.51 0.00 0.00 43.02 40.02 3i5n s PHE 1134CO 0.60 -2.50 0.18 0.45 0.70 0.00 0.00 175.22 174.64 3i5n s SER 1135N 1.99 1.62 -0.22 1.36 0.15 -1.26 -4.81 113.70 112.53 3i5n s SER 1135Ca 0.64 -0.29 -0.20 0.00 0.70 0.00 0.00 55.95 56.79 3i5n s SER 1135Cb -0.31 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.24 3i5n s SER 1135CO 0.26 -0.33 0.58 -2.28 1.20 0.00 0.00 173.24 172.68 3i5n s HIS 1136N 2.27 -0.64 0.54 3.44 5.04 -1.26 -5.05 115.29 119.63 3i5n s HIS 1136Ca 0.05 1.55 0.41 0.00 -1.54 0.00 0.00 55.06 55.53 3i5n s HIS 1136Cb -0.16 0.22 2.24 0.00 0.04 0.00 0.00 32.58 34.93 3i5n s HIS 1136CO -0.11 -0.31 2.26 -1.00 -2.34 0.00 0.00 174.74 173.24 3i5n h PRO 1137N 5.18 0.00 -0.33 2.88 0.13 -1.99 -2.04 132.00 135.83 3i5n h PRO 1137Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 3i5n h PRO 1137Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3i5n h PRO 1137CO 0.14 0.00 0.02 0.09 -0.23 0.00 0.00 178.00 178.02 3i5n n ASN 1138N -2.95 3.71 -3.97 1.44 5.03 -1.26 -4.69 115.26 112.57 3i5n n ASN 1138Ca -0.03 -3.19 -0.22 0.00 0.87 0.00 0.00 54.58 52.01 3i5n n ASN 1138Cb 0.07 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.08 3i5n n ASN 1138CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3i5n s VAL 1139N -2.94 0.83 0.07 2.41 1.01 -0.77 -0.39 120.40 120.62 3i5n s VAL 1139Ca 0.44 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 3i5n s VAL 1139Cb 0.37 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.89 3i5n s VAL 1139CO 0.08 0.28 1.45 -0.22 0.00 0.00 0.00 175.10 176.69 3i5n s LEU 1140N 0.65 4.35 0.55 3.92 2.96 0.17 -4.57 118.68 126.72 3i5n s LEU 1140Ca -0.11 2.30 -0.05 0.00 -0.22 0.00 0.00 54.13 56.05 3i5n s LEU 1140Cb -0.14 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3i5n s LEU 1140CO 0.02 -0.73 0.85 -0.94 -1.32 0.00 0.00 176.35 174.23 3i5n s SER 1141N 1.59 5.76 -0.24 3.68 1.04 -1.26 -4.96 113.70 119.31 3i5n s SER 1141Ca 0.66 0.72 -0.09 0.00 0.48 0.00 0.00 55.95 57.72 3i5n s SER 1141Cb -0.36 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 3i5n s SER 1141CO 0.29 -0.92 0.12 -0.22 0.98 0.00 0.00 173.24 173.49 3i5n s LEU 1142N -4.89 3.83 0.06 2.42 2.96 -1.26 -4.30 118.68 117.49 3i5n s LEU 1142Ca 0.52 -0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 54.26 3i5n s LEU 1142Cb -0.10 -2.02 -0.28 0.00 0.50 0.00 0.00 46.19 44.28 3i5n s LEU 1142CO 0.44 0.03 1.11 -0.07 -1.32 0.00 0.00 176.35 176.55 3i5n h LEU 1143N 7.73 0.88 0.00 -0.68 3.38 -1.59 -3.44 115.31 121.60 3i5n h LEU 1143Ca -0.37 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 56.79 3i5n h LEU 1143Cb 1.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3i5n h LEU 1143CO 0.62 1.59 0.00 0.61 0.09 0.00 0.00 178.44 181.35 3i5n n GLY 1144N 1.32 -1.84 3.21 0.83 0.00 -1.10 -4.90 105.19 102.71 3i5n n GLY 1144Ca -0.13 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 3i5n n GLY 1144CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5n s ILE 1145N -2.68 1.86 -0.05 -0.61 1.09 0.33 -1.07 121.20 120.07 3i5n s ILE 1145Ca 0.00 -0.94 0.04 0.00 -1.10 0.00 0.00 60.65 58.65 3i5n s ILE 1145Cb 0.00 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.78 3i5n s ILE 1145CO 0.00 0.52 -0.14 0.00 -0.10 0.00 0.00 174.94 175.22 3i5n s LEU 1147N -0.77 4.19 -0.08 0.00 1.43 -1.26 -0.18 118.68 122.01 3i5n s LEU 1147Ca 0.12 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3i5n s LEU 1147Cb -0.11 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3i5n s LEU 1147CO 0.01 -0.22 -0.14 -2.84 0.23 0.00 0.00 176.35 173.39 3i5n s PRO 1153N 1.61 2.83 -0.17 1.29 0.02 -1.26 -4.98 135.00 134.34 3i5n s PRO 1153Ca 0.04 -0.70 -0.05 0.00 0.02 0.00 0.00 61.00 60.31 3i5n s PRO 1153Cb -0.17 -2.46 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 3i5n s PRO 1153CO 0.06 0.46 -0.01 -0.51 -0.33 0.00 0.00 177.00 176.67 3i5n s LEU 1154N -0.31 3.35 -0.25 -5.54 1.02 0.74 -4.30 118.68 113.40 3i5n s LEU 1154Ca 0.02 -0.11 -0.20 0.00 0.02 0.00 0.00 54.13 53.87 3i5n s LEU 1154Cb -0.13 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 3i5n s LEU 1154CO 0.03 0.15 0.61 -0.69 0.02 0.00 0.00 176.35 176.46 3i5n s VAL 1155N 0.51 5.01 -0.27 -1.59 1.01 -0.65 -0.99 120.40 123.42 3i5n s VAL 1155Ca -0.02 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.98 3i5n s VAL 1155Cb -0.14 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 3i5n s VAL 1155CO 0.02 0.05 0.08 -0.69 0.00 0.00 0.00 175.10 174.56 3i5n s VAL 1156N 2.38 4.14 0.16 2.92 1.01 -0.23 -0.30 120.40 130.47 3i5n s VAL 1156Ca 0.26 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3i5n s VAL 1156Cb -0.16 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3i5n s VAL 1156CO 0.09 0.21 -0.21 -0.76 0.00 0.00 0.00 175.10 174.43 3i5n s LEU 1157N 1.56 2.40 0.40 3.92 1.43 0.50 -1.40 118.68 127.49 3i5n s LEU 1157Ca 0.05 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 52.06 3i5n s LEU 1157Cb -0.16 -0.97 -0.10 0.00 0.03 0.00 0.00 46.19 44.99 3i5n s LEU 1157CO 0.03 0.04 1.36 -2.65 0.23 0.00 0.00 176.35 175.36 3i5n n PRO 1158N 0.48 2.21 -2.30 1.29 -0.02 -1.26 0.20 135.00 135.60 3i5n n PRO 1158Ca -0.15 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 3i5n n PRO 1158Cb 0.56 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3i5n n PRO 1158CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i5n s TYR 1159N -1.16 3.31 -0.57 6.00 6.14 -1.18 -4.27 117.35 125.61 3i5n s TYR 1159Ca 0.58 1.11 -0.07 0.00 0.64 0.00 0.00 57.07 59.33 3i5n s TYR 1159Cb -0.50 -3.56 0.15 0.00 0.42 0.00 0.00 41.96 38.48 3i5n s TYR 1159CO 0.60 -1.86 0.43 -1.64 0.64 0.00 0.00 175.55 173.72 3i5n s MET 1160N 1.19 2.64 0.29 4.97 -1.94 -1.26 -4.83 119.30 120.37 3i5n s MET 1160Ca 0.62 -2.13 0.04 0.00 -1.71 0.00 0.00 55.69 52.50 3i5n s MET 1160Cb -0.33 -3.91 0.72 0.00 2.01 0.00 0.00 34.83 33.31 3i5n s MET 1160CO 0.29 -1.19 1.73 -0.22 -0.01 0.00 0.00 175.02 175.62 3i5n h LYS 1161N 7.84 0.53 -0.64 2.03 3.64 -1.81 -1.89 116.57 126.27 3i5n h LYS 1161Ca -0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3i5n h LYS 1161Cb 1.03 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3i5n h LYS 1161CO 0.78 0.35 0.00 0.72 -2.27 0.00 0.00 179.45 179.03 3i5n n HIS 1162N -4.93 1.35 -4.92 1.91 8.25 -0.78 -5.01 115.22 111.08 3i5n n HIS 1162Ca 0.22 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 3i5n n HIS 1162Cb 0.61 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3i5n n HIS 1162CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i5n n GLY 1163N 1.05 0.92 3.83 -1.41 0.00 -0.71 -4.62 105.19 104.25 3i5n n GLY 1163Ca 0.23 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3i5n n GLY 1163CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i5n s ASP 1164N -4.00 6.89 0.26 1.61 -4.77 -1.26 -1.03 116.67 114.37 3i5n s ASP 1164Ca 0.00 1.58 -0.04 0.00 -3.30 0.00 0.00 52.55 50.79 3i5n s ASP 1164Cb 0.00 -2.50 0.33 0.00 -1.09 0.00 0.00 42.92 39.67 3i5n s ASP 1164CO 0.00 -0.32 1.90 0.25 0.70 0.00 0.00 175.17 177.70 3i5n h LEU 1165N 1.99 1.08 0.25 2.11 5.85 -0.37 -1.99 115.31 124.23 3i5n h LEU 1165Ca -0.49 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 3i5n h LEU 1165Cb 1.18 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3i5n h LEU 1165CO 0.62 0.73 -0.12 -0.09 -0.34 0.00 0.00 178.44 179.24 3i5n h ARG 1166N 1.25 -0.32 -0.89 1.25 2.43 -1.71 -2.16 114.38 114.23 3i5n h ARG 1166Ca 0.40 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.61 3i5n h ARG 1166Cb 0.02 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3i5n h ARG 1166CO -0.13 -0.13 0.59 -0.91 -1.51 0.00 0.00 179.97 177.88 3i5n h ASN 1167N -0.45 1.00 -0.41 -3.80 -0.26 -1.86 -2.26 115.58 107.54 3i5n h ASN 1167Ca -0.03 -0.02 0.03 0.00 -0.56 0.00 0.00 56.30 55.72 3i5n h ASN 1167Cb 0.34 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 3i5n h ASN 1167CO 0.06 0.71 0.21 0.15 -1.06 0.00 0.00 177.43 177.49 3i5n h PHE 1168N 1.17 0.38 0.00 1.19 3.57 -1.17 -2.01 116.94 120.07 3i5n h PHE 1168Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3i5n h PHE 1168Cb -0.07 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3i5n h PHE 1168CO -0.00 0.20 0.00 -0.84 -2.23 0.00 0.00 178.31 175.44 3i5n h ILE 1169N 0.42 0.00 0.00 1.41 3.07 -1.17 -2.95 117.51 118.28 3i5n h ILE 1169Ca 0.17 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.89 3i5n h ILE 1169Cb 0.08 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 3i5n h ILE 1169CO -0.12 0.00 -0.36 0.03 -1.05 0.00 0.00 178.15 176.65 3i5n h ARG 1170N 0.00 0.00 -6.37 0.16 3.08 -1.06 -3.44 114.38 106.76 3i5n h ARG 1170Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3i5n h ARG 1170Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3i5n h ARG 1170CO 0.00 0.00 0.91 1.21 -1.07 0.00 0.00 179.97 181.02 3i5n s ASN 1171N -4.80 6.77 0.55 7.04 3.84 -0.79 -4.92 114.94 122.64 3i5n s ASN 1171Ca 0.07 2.20 0.35 0.00 0.21 0.00 0.00 52.86 55.69 3i5n s ASN 1171Cb 0.11 -2.56 1.59 0.00 -0.55 0.00 0.00 41.25 39.85 3i5n s ASN 1171CO 0.68 -0.79 2.05 -0.33 -2.79 0.00 0.00 177.10 175.92 3i5n h GLU 1172N 8.19 0.00 0.00 0.43 5.08 -1.90 -3.11 114.58 123.27 3i5n h GLU 1172Ca -0.39 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 3i5n h GLU 1172Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3i5n h GLU 1172CO 0.92 0.00 -1.07 1.79 -1.00 0.00 0.00 179.01 179.65 3i5n h THR 1173N 0.00 0.95 -3.04 1.13 1.35 -1.95 -3.45 112.91 107.90 3i5n h THR 1173Ca 0.00 -2.50 -0.60 0.00 -0.55 0.00 0.00 66.41 62.76 3i5n h THR 1173Cb 0.36 2.40 -0.04 0.00 -1.73 0.00 0.00 68.15 69.14 3i5n h THR 1173CO 0.00 0.54 -0.35 -1.00 -0.25 0.00 0.00 175.52 174.46 3i5n s HIS 1174N -2.84 3.53 -0.50 4.73 3.76 -1.18 -5.07 115.29 117.72 3i5n s HIS 1174Ca -0.00 0.55 0.06 0.00 -0.15 0.00 0.00 55.06 55.52 3i5n s HIS 1174Cb 0.09 -1.99 0.20 0.00 1.11 0.00 0.00 32.58 31.99 3i5n s HIS 1174CO 0.79 0.52 0.48 0.27 -0.85 0.00 0.00 174.74 175.96 3i5n n ASN 1175N 0.56 1.05 -4.76 1.40 6.94 -1.26 -4.86 115.26 114.33 3i5n n ASN 1175Ca -0.06 -2.79 -0.41 0.00 -0.02 0.00 0.00 54.58 51.30 3i5n n ASN 1175Cb 0.52 -0.64 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 3i5n n ASN 1175CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3i5n s PRO 1176N -0.96 4.47 0.84 -0.53 0.04 -1.26 -5.03 135.00 132.57 3i5n s PRO 1176Ca 0.33 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.29 3i5n s PRO 1176Cb 0.07 -3.13 0.10 0.00 0.04 0.00 0.00 34.50 31.58 3i5n s PRO 1176CO -0.14 -0.04 1.19 0.95 0.04 0.00 0.00 177.00 179.00 3i5n s THR 1177N -1.04 2.00 0.23 1.26 -4.23 -1.26 -4.84 115.64 107.76 3i5n s THR 1177Ca 0.48 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.92 3i5n s THR 1177Cb -0.36 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.69 3i5n s THR 1177CO 0.47 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.97 3i5n h VAL 1178N -1.17 1.02 -0.38 2.29 2.07 -1.96 -0.71 116.25 117.41 3i5n h VAL 1178Ca -0.46 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3i5n h VAL 1178Cb 1.32 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3i5n h VAL 1178CO 0.62 0.16 0.19 0.50 0.02 0.00 0.00 177.57 179.07 3i5n h LYS 1179N 0.88 0.38 -0.68 1.57 3.64 -1.92 -1.18 116.57 119.26 3i5n h LYS 1179Ca 0.35 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.76 3i5n h LYS 1179Cb 0.18 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3i5n h LYS 1179CO -0.18 0.25 0.39 -0.44 -2.27 0.00 0.00 179.45 177.21 3i5n h ASP 1180N 0.39 0.60 -0.47 4.20 3.32 -1.64 0.13 116.42 122.95 3i5n h ASP 1180Ca 0.16 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3i5n h ASP 1180Cb 0.07 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3i5n h ASP 1180CO -0.11 0.40 0.02 -0.07 -1.72 0.00 0.00 179.24 177.75 3i5n h LEU 1181N 0.73 0.80 -0.89 1.55 3.38 -0.77 -0.17 115.31 119.95 3i5n h LEU 1181Ca 0.30 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3i5n h LEU 1181Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3i5n h LEU 1181CO -0.16 0.90 0.11 0.40 0.09 0.00 0.00 178.44 179.78 3i5n h ILE 1182N 0.68 1.24 -0.83 1.22 2.04 -0.98 -2.20 117.51 118.69 3i5n h ILE 1182Ca 0.14 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 3i5n h ILE 1182Cb 0.48 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3i5n h ILE 1182CO 0.02 0.34 0.41 1.23 0.00 0.00 0.00 178.15 180.15 3i5n h GLY 1183N 1.01 1.27 0.94 5.37 0.00 -0.60 0.16 103.07 111.22 3i5n h GLY 1183Ca 0.18 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.92 3i5n h GLY 1183CO 0.01 0.59 0.43 0.74 0.00 0.00 0.00 176.54 178.30 3i5n h PHE 1184N 1.17 0.80 -0.58 5.60 0.05 -0.73 -0.54 116.94 122.70 3i5n h PHE 1184Ca 0.29 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.10 3i5n h PHE 1184Cb 0.10 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 37.75 3i5n h PHE 1184CO 0.01 0.48 0.38 0.78 -0.18 0.00 0.00 178.31 179.78 3i5n h GLY 1185N 0.85 0.82 1.00 -1.45 0.00 -0.80 -1.90 103.07 101.61 3i5n h GLY 1185Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3i5n h GLY 1185CO -0.08 0.31 0.32 -2.00 0.00 0.00 0.00 176.54 175.09 3i5n h LEU 1186N 0.79 0.56 -0.61 3.11 5.85 -0.35 -1.32 115.31 123.34 3i5n h LEU 1186Ca 0.21 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3i5n h LEU 1186Cb -0.08 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3i5n h LEU 1186CO -0.05 0.41 0.39 1.56 -0.34 0.00 0.00 178.44 180.42 3i5n h GLN 1187N 0.66 0.76 -0.65 1.25 4.20 -0.90 -1.31 115.11 119.12 3i5n h GLN 1187Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3i5n h GLN 1187Cb -0.07 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 3i5n h GLN 1187CO -0.04 0.50 0.41 0.28 -0.67 0.00 0.00 178.83 179.31 3i5n h VAL 1188N 0.78 1.18 -0.75 -0.54 2.07 -1.15 -1.90 116.25 115.94 3i5n h VAL 1188Ca 0.23 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3i5n h VAL 1188Cb -0.04 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 3i5n h VAL 1188CO -0.08 0.18 0.45 0.00 0.02 0.00 0.00 177.57 178.15 3i5n h ALA 1189N 1.21 1.39 -0.37 1.67 0.00 -0.69 -0.31 119.26 122.17 3i5n h ALA 1189Ca 0.23 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3i5n h ALA 1189Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3i5n h ALA 1189CO -0.05 0.53 -0.24 0.87 0.00 0.00 0.00 179.25 180.36 3i5n h LYS 1190N 1.03 0.81 -0.61 0.00 1.57 -1.05 0.39 116.57 118.71 3i5n h LYS 1190Ca 0.27 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3i5n h LYS 1190Cb -0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3i5n h LYS 1190CO -0.05 1.02 0.38 0.78 -0.57 0.00 0.00 179.45 181.00 3i5n h GLY 1191N 0.61 0.89 1.83 3.86 0.00 -0.91 -1.91 103.07 107.43 3i5n h GLY 1191Ca 0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 3i5n h GLY 1191CO 0.07 0.35 -0.56 -0.33 0.00 0.00 0.00 176.54 176.07 3i5n h MET 1192N 0.83 0.18 -0.51 4.80 2.86 -1.02 -1.64 114.93 120.43 3i5n h MET 1192Ca 0.22 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3i5n h MET 1192Cb -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3i5n h MET 1192CO -0.04 0.69 0.32 -0.22 1.06 0.00 0.00 176.91 178.72 3i5n h LYS 1193N 0.14 0.69 0.19 1.72 3.64 -0.69 -0.31 116.57 121.95 3i5n h LYS 1193Ca -0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3i5n h LYS 1193Cb 1.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3i5n h LYS 1193CO 0.08 0.48 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.73 3i5n h TYR 1194N 0.69 -0.24 -0.66 1.91 3.20 -1.11 -2.20 116.97 118.56 3i5n h TYR 1194Ca 0.18 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3i5n h TYR 1194Cb -0.04 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3i5n h TYR 1194CO -0.03 -0.13 0.43 -0.07 -1.64 0.00 0.00 178.16 176.73 3i5n h LEU 1195N -0.29 0.76 -1.28 2.82 3.38 -1.19 -2.36 115.31 117.15 3i5n h LEU 1195Ca -0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3i5n h LEU 1195Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3i5n h LEU 1195CO 0.04 0.55 -0.09 0.00 0.09 0.00 0.00 178.44 179.04 3i5n h ALA 1196N 1.24 1.40 0.00 1.53 0.00 -1.03 -1.22 119.26 121.19 3i5n h ALA 1196Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3i5n h ALA 1196Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3i5n h ALA 1196CO -0.05 0.41 -0.27 0.66 0.00 0.00 0.00 179.25 180.00 3i5n h SER 1197N 0.37 0.00 -0.17 0.00 4.64 -0.89 -1.56 113.55 115.93 3i5n h SER 1197Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3i5n h SER 1197Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3i5n h SER 1197CO 0.02 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.54 3i5n n LYS 1198N -3.64 1.42 -2.28 4.77 4.76 -0.73 -4.91 118.16 117.56 3i5n n LYS 1198Ca -0.01 -0.65 -0.19 0.00 -2.87 0.00 0.00 58.31 54.58 3i5n n LYS 1198Cb 0.39 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 3i5n n LYS 1198CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i5n n LYS 1199N 0.00 -1.73 -3.55 1.97 4.76 -0.59 -4.97 118.16 114.05 3i5n n LYS 1199Ca 0.08 0.97 -0.38 0.00 -2.87 0.00 0.00 58.31 56.11 3i5n n LYS 1199Cb 0.17 -5.58 -0.10 0.00 -1.84 0.00 0.00 35.03 27.68 3i5n n LYS 1199CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3i5n s PHE 1200N -2.92 3.27 -0.21 2.13 5.36 -0.54 -5.01 117.98 120.06 3i5n s PHE 1200Ca 0.00 0.26 -0.15 0.00 -0.96 0.00 0.00 56.93 56.07 3i5n s PHE 1200Cb 0.00 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.24 3i5n s PHE 1200CO 0.00 -0.10 0.38 0.08 -1.46 0.00 0.00 175.22 174.12 3i5n s VAL 1201N 1.59 5.21 -0.01 3.12 1.01 -1.26 -4.04 120.40 126.02 3i5n s VAL 1201Ca 0.10 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.50 3i5n s VAL 1201Cb -0.15 -3.71 -0.20 0.00 0.00 0.00 0.00 36.38 32.33 3i5n s VAL 1201CO 0.09 0.25 1.18 -0.74 0.00 0.00 0.00 175.10 175.88 3i5n h HIS 1202N 7.48 0.33 0.00 5.22 2.76 -1.97 -3.48 115.15 125.49 3i5n h HIS 1202Ca -0.36 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 3i5n h HIS 1202Cb 1.16 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3i5n h HIS 1202CO 0.69 0.84 0.00 0.54 -1.30 0.00 0.00 177.93 178.70 3i5n n ARG 1203N -4.53 0.00 -2.79 5.26 1.74 -1.26 -4.73 116.66 110.35 3i5n n ARG 1203Ca -0.08 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 3i5n n ARG 1203Cb 0.44 -0.93 0.06 0.00 -1.02 0.00 0.00 32.46 31.01 3i5n n ARG 1203CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i5n n ASP 1204N 0.03 1.17 -4.69 0.55 2.03 -1.26 -4.93 116.55 109.46 3i5n n ASP 1204Ca 0.00 -2.17 -0.42 0.00 0.52 0.00 0.00 54.79 52.72 3i5n n ASP 1204Cb 0.00 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 3i5n n ASP 1204CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3i5n s LEU 1205N -3.71 4.34 0.13 -2.67 2.96 -1.26 -4.81 118.68 113.65 3i5n s LEU 1205Ca 0.25 2.32 -0.25 0.00 -0.22 0.00 0.00 54.13 56.23 3i5n s LEU 1205Cb 0.36 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.56 3i5n s LEU 1205CO -0.04 -0.83 0.74 0.00 -1.32 0.00 0.00 176.35 174.91 3i5n s ALA 1206N 2.71 -1.62 0.39 5.97 0.00 -1.26 -4.71 121.76 123.23 3i5n s ALA 1206Ca 0.70 0.50 0.07 0.00 0.00 0.00 0.00 51.96 53.23 3i5n s ALA 1206Cb -0.36 0.71 0.77 0.00 0.00 0.00 0.00 23.12 24.25 3i5n s ALA 1206CO 0.30 -0.81 1.98 0.00 0.00 0.00 0.00 175.76 177.22 3i5n h ALA 1207N 2.00 1.57 0.00 0.00 0.00 -1.93 -1.12 119.26 119.78 3i5n h ALA 1207Ca -0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3i5n h ALA 1207Cb 1.27 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i5n h ALA 1207CO 0.32 0.33 -0.04 0.07 0.00 0.00 0.00 179.25 179.94 3i5n h ARG 1208N 0.47 0.00 -0.60 0.00 0.11 -1.94 -2.43 114.38 109.99 3i5n h ARG 1208Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3i5n h ARG 1208Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 3i5n h ARG 1208CO -0.01 0.04 0.00 0.09 0.10 0.00 0.00 179.97 180.19 3i5n n ASN 1209N -3.56 3.62 -4.56 0.08 3.02 -0.43 -4.70 115.26 108.74 3i5n n ASN 1209Ca -0.02 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.23 3i5n n ASN 1209Cb 0.14 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 3i5n n ASN 1209CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i5n s MET 1211N -2.03 1.62 -0.06 0.00 1.00 -0.14 -0.16 119.30 119.54 3i5n s MET 1211Ca 0.20 -1.76 0.06 0.00 0.00 0.00 0.00 55.69 54.19 3i5n s MET 1211Cb -0.11 -1.60 -0.01 0.00 0.00 0.00 0.00 34.83 33.11 3i5n s MET 1211CO 0.12 0.26 -0.24 -0.51 0.00 0.00 0.00 175.02 174.64 3i5n s LEU 1212N -3.48 2.05 0.00 -0.03 1.02 -0.19 -0.18 118.68 117.87 3i5n s LEU 1212Ca 0.29 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.94 3i5n s LEU 1212Cb -0.03 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.85 3i5n s LEU 1212CO 0.13 0.24 0.00 -0.90 0.02 0.00 0.00 176.35 175.84 3i5n n ASP 1213N 2.97 0.00 0.24 2.29 5.68 -0.88 -1.87 116.55 124.98 3i5n n ASP 1213Ca -0.17 -0.69 0.11 0.00 -0.50 0.00 0.00 54.79 53.53 3i5n n ASP 1213Cb 0.52 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.11 3i5n n ASP 1213CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i5n h GLU 1214N 0.00 0.00 -0.58 0.11 9.09 -1.91 -1.84 114.58 119.45 3i5n h GLU 1214Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i5n h GLU 1214Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3i5n h GLU 1214CO 0.00 0.18 0.00 1.63 0.05 0.00 0.00 179.01 180.87 3i5n n LYS 1215N -3.63 2.51 -2.00 1.06 5.02 -1.26 -4.92 118.16 114.94 3i5n n LYS 1215Ca -0.01 -2.09 -0.18 0.00 -2.02 0.00 0.00 58.31 54.00 3i5n n LYS 1215Cb 0.31 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3i5n n LYS 1215CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3i5n n PHE 1216N 1.10 -0.50 -2.45 2.13 3.72 -0.69 -4.97 117.46 115.79 3i5n n PHE 1216Ca 0.19 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.17 3i5n n PHE 1216Cb 0.54 -3.40 -0.02 0.00 -0.94 0.00 0.00 39.48 35.65 3i5n n PHE 1216CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3i5n s THR 1217N -2.81 4.28 0.00 4.37 2.01 -1.26 -4.80 115.64 117.42 3i5n s THR 1217Ca 0.00 1.58 -0.23 0.00 0.31 0.00 0.00 61.69 63.36 3i5n s THR 1217Cb 0.00 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 3i5n s THR 1217CO 0.00 -0.05 0.67 -0.69 -0.69 0.00 0.00 174.62 173.86 3i5n s VAL 1218N 2.68 4.87 -0.06 3.82 1.01 -1.26 -2.08 120.40 129.38 3i5n s VAL 1218Ca 0.55 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.96 3i5n s VAL 1218Cb -0.23 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3i5n s VAL 1218CO 0.19 0.37 -0.12 -0.54 0.00 0.00 0.00 175.10 175.00 3i5n s LYS 1219N 0.03 1.67 0.05 2.72 1.02 0.75 -4.32 119.74 121.67 3i5n s LYS 1219Ca 0.35 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 3i5n s LYS 1219Cb -0.19 -1.39 -0.08 0.00 -0.52 0.00 0.00 37.83 35.65 3i5n s LYS 1219CO 0.19 0.03 1.76 0.08 -0.92 0.00 0.00 175.35 176.49 3i5n s VAL 1220N 0.67 3.02 0.00 3.17 1.01 0.47 -0.97 120.40 127.77 3i5n s VAL 1220Ca -0.14 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3i5n s VAL 1220Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3i5n s VAL 1220CO 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.12 3i5n n ALA 1221N 6.28 0.00 -3.87 5.51 0.00 -0.83 -0.65 120.51 126.95 3i5n n ALA 1221Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.37 3i5n n ALA 1221Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 3i5n n ALA 1221CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i5n n ASP 1222N 0.00 -0.89 -3.97 0.00 2.03 -1.24 -4.82 116.55 107.65 3i5n n ASP 1222Ca 0.00 -0.96 -0.08 0.00 0.52 0.00 0.00 54.79 54.27 3i5n n ASP 1222Cb 0.00 -3.33 -0.08 0.00 -0.72 0.00 0.00 41.12 36.98 3i5n n ASP 1222CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3i5n s PHE 1223N -3.85 0.36 0.00 -0.67 -0.71 -1.26 -4.41 117.98 107.44 3i5n s PHE 1223Ca 0.04 -0.83 0.00 0.00 -1.04 0.00 0.00 56.93 55.10 3i5n s PHE 1223Cb -0.01 -0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 3i5n s PHE 1223CO 0.87 -0.49 0.00 0.41 -1.34 0.00 0.00 175.22 174.67 3i5n n GLY 1224N -0.01 3.68 0.08 1.99 0.00 -1.26 -1.98 105.19 107.69 3i5n n GLY 1224Ca -0.13 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3i5n n GLY 1224CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5n n LEU 1225N 0.00 0.65 0.01 0.99 4.77 -1.26 -2.97 117.00 119.19 3i5n n LEU 1225Ca 0.00 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 3i5n n LEU 1225Cb 0.00 -0.35 0.43 0.00 -2.33 0.00 0.00 43.42 41.17 3i5n n LEU 1225CO 0.00 -0.14 0.71 0.00 -1.33 0.00 0.00 177.39 176.63 3i5n n ALA 1226N -1.73 2.88 -1.90 -1.18 0.00 -0.84 -4.93 120.51 112.82 3i5n n ALA 1226Ca 0.06 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3i5n n ALA 1226Cb 0.41 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 3i5n n ALA 1226CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i5n s ARG 1227N -3.01 4.20 0.29 0.00 3.52 -1.16 -4.41 118.95 118.38 3i5n s ARG 1227Ca 0.12 2.40 -0.19 0.00 -0.13 0.00 0.00 55.73 57.93 3i5n s ARG 1227Cb 0.18 -3.15 0.06 0.00 -1.56 0.00 0.00 34.95 30.47 3i5n s ARG 1227CO 0.61 -0.63 0.88 0.34 -0.81 0.00 0.00 175.30 175.68 3i5n s ASP 1228N 1.19 -0.04 -0.49 -2.12 -1.08 -1.26 -4.96 116.67 107.90 3i5n s ASP 1228Ca 0.71 -0.88 -0.16 0.00 -0.52 0.00 0.00 52.55 51.70 3i5n s ASP 1228Cb -0.45 0.70 0.08 0.00 -1.46 0.00 0.00 42.92 41.79 3i5n s ASP 1228CO 0.31 -1.37 0.44 -0.04 0.52 0.00 0.00 175.17 175.03 3i5n s MET 1229N -2.53 2.99 0.14 4.34 -1.94 -1.26 -4.93 119.30 116.12 3i5n s MET 1229Ca 0.17 -1.37 0.23 0.00 -1.71 0.00 0.00 55.69 53.01 3i5n s MET 1229Cb -0.04 -4.16 0.11 0.00 2.01 0.00 0.00 34.83 32.75 3i5n s MET 1229CO 0.08 -1.10 1.11 0.66 -0.01 0.00 0.00 175.02 175.77 3i5n n TYR 1230N 5.31 0.69 -3.61 -0.03 4.01 -1.26 -2.72 117.16 119.54 3i5n n TYR 1230Ca -0.12 0.20 -0.29 0.00 -0.16 0.00 0.00 57.90 57.53 3i5n n TYR 1230Cb 0.43 -0.76 -0.14 0.00 -0.31 0.00 0.00 39.34 38.57 3i5n n TYR 1230CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i5n s ASP 1231N -4.73 3.52 0.61 7.72 -1.08 -1.26 -4.82 116.67 116.63 3i5n s ASP 1231Ca 0.02 -2.00 0.36 0.00 -0.52 0.00 0.00 52.55 50.40 3i5n s ASP 1231Cb 0.12 -0.68 2.03 0.00 -1.46 0.00 0.00 42.92 42.93 3i5n s ASP 1231CO 0.77 -0.35 2.28 0.11 0.52 0.00 0.00 175.17 178.51 3i5n h LYS 1232N 7.46 0.00 -0.70 4.34 1.57 -1.96 -2.98 116.57 124.29 3i5n h LYS 1232Ca -0.05 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.90 3i5n h LYS 1232Cb 0.98 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 3i5n h LYS 1232CO 0.40 0.01 0.49 1.49 -0.57 0.00 0.00 179.45 181.27 3i5n h GLU 1233N 0.00 0.20 -0.66 3.15 4.81 -1.98 -2.86 114.58 117.23 3i5n h GLU 1233Ca -0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3i5n h GLU 1233Cb 0.05 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3i5n h GLU 1233CO 0.00 0.13 0.12 0.66 -0.73 0.00 0.00 179.01 179.19 3i5n n TYR 1234N -4.42 2.27 -4.01 0.92 4.01 -1.13 -4.84 117.16 109.96 3i5n n TYR 1234Ca 0.14 -0.93 -0.29 0.00 -0.16 0.00 0.00 57.90 56.66 3i5n n TYR 1234Cb 0.63 -0.60 -0.17 0.00 -0.31 0.00 0.00 39.34 38.90 3i5n n TYR 1234CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3i5n s TYR 1235N -2.86 1.88 -0.04 -0.72 2.02 -1.08 -4.08 117.35 112.47 3i5n s TYR 1235Ca 0.55 -1.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 3i5n s TYR 1235Cb 0.43 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 3i5n s TYR 1235CO 0.15 -0.59 -0.06 -1.12 -1.57 0.00 0.00 175.55 172.36 3i5n s SER 1236N 1.53 4.73 0.07 2.29 0.01 -0.01 -4.74 113.70 117.57 3i5n s SER 1236Ca 0.04 -0.05 -0.32 0.00 1.31 0.00 0.00 55.95 56.93 3i5n s SER 1236Cb -0.13 -1.17 -0.18 0.00 0.21 0.00 0.00 66.02 64.74 3i5n s SER 1236CO -0.09 0.33 1.59 0.58 0.41 0.00 0.00 173.24 176.06 3i5n h VAL 1237N 3.99 0.39 0.00 3.43 2.07 -2.01 0.11 116.25 124.24 3i5n h VAL 1237Ca -0.49 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3i5n h VAL 1237Cb 1.17 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3i5n h VAL 1237CO 0.53 0.01 0.00 1.57 0.02 0.00 0.00 177.57 179.70 3i5n n HIS 1238N -5.43 0.00 -3.81 1.57 -0.00 -1.26 -4.58 115.22 101.71 3i5n n HIS 1238Ca -0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.24 3i5n n HIS 1238Cb 0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.21 3i5n n HIS 1238CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3i5n s LYS 1244N 0.00 1.98 -0.00 1.57 1.02 -1.26 -5.23 119.74 117.81 3i5n s LYS 1244Ca 0.00 -1.91 0.01 0.00 0.02 0.00 0.00 55.97 54.09 3i5n s LYS 1244Cb 0.00 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 3i5n s LYS 1244CO 0.00 -1.07 0.00 -0.51 -0.92 0.00 0.00 175.35 172.86 3i5n s LEU 1245N 0.97 3.52 -1.51 3.17 1.43 0.03 -4.70 118.68 121.58 3i5n s LEU 1245Ca 0.10 0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3i5n s LEU 1245Cb -0.22 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3i5n s LEU 1245CO -0.05 0.28 2.61 -0.81 0.23 0.00 0.00 176.35 178.62 3i5n n PRO 1246N 1.42 3.62 -0.34 1.29 -0.04 -1.26 -0.83 135.00 138.86 3i5n n PRO 1246Ca -0.15 -2.59 0.19 0.00 -0.04 0.00 0.00 63.50 60.91 3i5n n PRO 1246Cb 0.53 -2.91 0.41 0.00 -0.04 0.00 0.00 33.50 31.49 3i5n n PRO 1246CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3i5n h VAL 1247N 3.25 0.53 0.00 0.52 -1.51 -1.93 0.48 116.25 117.59 3i5n h VAL 1247Ca 0.74 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 66.02 3i5n h VAL 1247Cb 0.40 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 3i5n h VAL 1247CO 1.76 0.10 0.00 0.29 -1.23 0.00 0.00 177.57 178.49 3i5n n LYS 1248N -4.84 0.29 0.00 5.19 5.02 -1.26 -2.07 118.16 120.48 3i5n n LYS 1248Ca 0.27 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.71 3i5n n LYS 1248Cb 0.78 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.33 3i5n n LYS 1248CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3i5n n TRP 1249N -1.30 0.00 -3.34 2.13 8.01 0.15 -4.99 117.44 118.09 3i5n n TRP 1249Ca 0.10 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.94 3i5n n TRP 1249Cb 0.18 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.43 3i5n n TRP 1249CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3i5n s MET 1250N -1.34 3.99 0.51 -0.99 -1.94 -0.88 -3.61 119.30 115.04 3i5n s MET 1250Ca 0.15 0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 54.42 3i5n s MET 1250Cb 0.11 -2.91 -0.06 0.00 2.01 0.00 0.00 34.83 33.98 3i5n s MET 1250CO 0.23 0.46 1.16 0.00 -0.01 0.00 0.00 175.02 176.86 3i5n s ALA 1251N -1.49 2.81 0.24 3.03 0.00 -1.26 -4.86 121.76 120.23 3i5n s ALA 1251Ca 0.39 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 3i5n s ALA 1251Cb -0.15 -3.38 0.42 0.00 0.00 0.00 0.00 23.12 20.01 3i5n s ALA 1251CO 0.19 -0.76 1.63 -0.07 0.00 0.00 0.00 175.76 176.75 3i5n h LEU 1252N 1.56 -0.43 -1.34 0.00 3.38 -1.95 -0.72 115.31 115.81 3i5n h LEU 1252Ca -0.50 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3i5n h LEU 1252Cb 1.26 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 3i5n h LEU 1252CO 0.58 -0.20 -0.30 1.05 0.09 0.00 0.00 178.44 179.66 3i5n h GLU 1253N 0.07 0.00 -0.04 1.13 9.09 -1.92 -2.61 114.58 120.31 3i5n h GLU 1253Ca 0.41 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.60 3i5n h GLU 1253Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 3i5n h GLU 1253CO -0.70 0.30 -0.87 0.77 0.05 0.00 0.00 179.01 178.57 3i5n h SER 1254N 0.00 0.57 0.19 3.06 0.02 -1.34 -0.74 113.55 115.30 3i5n h SER 1254Ca -0.00 -0.43 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 3i5n h SER 1254Cb 0.64 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3i5n h SER 1254CO 0.04 1.21 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.66 3i5n h LEU 1255N 0.28 0.04 0.14 5.07 3.38 -1.06 0.45 115.31 123.61 3i5n h LEU 1255Ca -0.06 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.57 3i5n h LEU 1255Cb 1.49 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 3i5n h LEU 1255CO 0.15 0.25 -1.66 1.56 0.09 0.00 0.00 178.44 178.83 3i5n h GLN 1256N 0.04 0.29 0.00 1.13 4.20 -1.35 -3.41 115.11 116.02 3i5n h GLN 1256Ca 0.01 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 3i5n h GLN 1256Cb 0.39 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 3i5n h GLN 1256CO 0.03 1.17 -1.30 0.25 -0.67 0.00 0.00 178.83 178.31 3i5n n THR 1257N -3.49 0.01 -1.39 -0.54 -2.24 -0.30 -5.00 114.28 101.33 3i5n n THR 1257Ca -0.21 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3i5n n THR 1257Cb 1.06 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 3i5n n THR 1257CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i5n n GLN 1258N -1.74 -1.12 -3.36 -0.78 6.02 0.16 -5.02 117.38 111.55 3i5n n GLN 1258Ca -0.01 0.96 -0.38 0.00 -0.01 0.00 0.00 57.00 57.56 3i5n n GLN 1258Cb 0.18 -5.10 -0.06 0.00 1.02 0.00 0.00 30.24 26.28 3i5n n GLN 1258CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3i5n s LYS 1259N -3.07 4.25 -0.10 -1.09 2.20 -1.26 -5.05 119.74 115.62 3i5n s LYS 1259Ca 0.00 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 3i5n s LYS 1259Cb 0.00 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3i5n s LYS 1259CO 0.00 0.28 -0.11 -0.06 -0.36 0.00 0.00 175.35 175.10 3i5n s PHE 1260N 0.23 2.83 0.36 4.03 0.40 -1.26 -4.26 117.98 120.32 3i5n s PHE 1260Ca 0.25 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 3i5n s PHE 1260Cb -0.15 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 3i5n s PHE 1260CO 0.11 -0.01 0.11 0.95 0.70 0.00 0.00 175.22 177.07 3i5n s THR 1261N -0.08 0.74 0.34 0.64 -4.23 -1.26 -4.99 115.64 106.81 3i5n s THR 1261Ca -0.01 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 3i5n s THR 1261Cb -0.14 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.45 3i5n s THR 1261CO 0.03 0.00 2.00 0.74 -0.54 0.00 0.00 174.62 176.86 3i5n h THR 1262N 1.97 1.17 0.00 3.99 2.02 -1.97 -1.16 112.91 118.93 3i5n h THR 1262Ca -0.37 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 3i5n h THR 1262Cb 1.26 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3i5n h THR 1262CO 0.60 0.17 -0.31 0.11 0.37 0.00 0.00 175.52 176.46 3i5n h LYS 1263N 0.88 0.00 0.00 6.66 1.79 -1.96 -0.80 116.57 123.14 3i5n h LYS 1263Ca 0.24 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.58 3i5n h LYS 1263Cb -0.09 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3i5n h LYS 1263CO -0.05 0.31 -0.58 0.66 -1.08 0.00 0.00 179.45 178.71 3i5n h SER 1264N 0.00 0.00 -0.62 0.86 4.64 -1.77 -2.82 113.55 113.84 3i5n h SER 1264Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3i5n h SER 1264Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 3i5n h SER 1264CO 0.04 0.58 0.22 0.44 -0.87 0.00 0.00 176.83 177.24 3i5n h ASP 1265N 0.00 0.90 -0.69 4.97 3.32 -0.57 -2.40 116.42 121.95 3i5n h ASP 1265Ca -0.01 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3i5n h ASP 1265Cb 1.36 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3i5n h ASP 1265CO 0.08 0.83 0.34 0.58 -1.72 0.00 0.00 179.24 179.35 3i5n h VAL 1266N 0.95 1.23 -0.40 -1.35 2.07 -1.03 0.54 116.25 118.25 3i5n h VAL 1266Ca 0.21 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3i5n h VAL 1266Cb 0.24 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3i5n h VAL 1266CO -0.01 0.26 0.15 -0.25 0.02 0.00 0.00 177.57 177.74 3i5n h TRP 1267N 0.96 0.26 -0.57 1.57 2.91 -1.38 -2.15 115.95 117.54 3i5n h TRP 1267Ca 0.24 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.25 3i5n h TRP 1267Cb 0.11 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.67 3i5n h TRP 1267CO 0.00 0.10 0.24 0.77 -1.03 0.00 0.00 178.44 178.53 3i5n h SER 1268N 0.31 0.75 -0.88 2.65 0.02 -1.04 -2.57 113.55 112.79 3i5n h SER 1268Ca 0.18 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3i5n h SER 1268Cb 0.16 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3i5n h SER 1268CO -0.18 0.66 0.46 0.15 -1.14 0.00 0.00 176.83 176.78 3i5n h PHE 1269N 0.82 1.23 -0.83 3.45 3.57 -0.55 -0.93 116.94 123.70 3i5n h PHE 1269Ca 0.20 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3i5n h PHE 1269Cb 0.14 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 3i5n h PHE 1269CO 0.01 0.86 0.52 0.78 -2.23 0.00 0.00 178.31 178.25 3i5n h GLY 1270N 1.24 1.22 1.03 2.40 0.00 -1.00 0.22 103.07 108.18 3i5n h GLY 1270Ca 0.31 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 3i5n h GLY 1270CO -0.05 0.31 0.03 -2.08 0.00 0.00 0.00 176.54 174.75 3i5n h VAL 1271N 0.99 1.26 -0.85 4.60 2.07 -1.27 -2.13 116.25 120.92 3i5n h VAL 1271Ca 0.34 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3i5n h VAL 1271Cb 0.07 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3i5n h VAL 1271CO -0.14 0.38 0.53 0.25 0.02 0.00 0.00 177.57 178.62 3i5n h LEU 1272N 0.83 0.85 -0.67 2.57 6.46 -0.60 0.05 115.31 124.79 3i5n h LEU 1272Ca 0.16 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 3i5n h LEU 1272Cb 0.50 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 3i5n h LEU 1272CO 0.02 0.55 0.40 -0.07 -0.62 0.00 0.00 178.44 178.72 3i5n h LEU 1273N 0.99 0.81 -0.94 2.25 3.38 -0.71 -1.35 115.31 119.73 3i5n h LEU 1273Ca 0.36 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3i5n h LEU 1273Cb 0.13 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3i5n h LEU 1273CO -0.16 0.64 0.58 -0.25 0.09 0.00 0.00 178.44 179.34 3i5n h TRP 1274N 0.91 1.23 -0.29 1.13 7.01 -0.80 -1.72 115.95 123.43 3i5n h TRP 1274Ca 0.24 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.25 3i5n h TRP 1274Cb -0.02 -0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 26.62 3i5n h TRP 1274CO -0.01 0.81 0.17 0.93 -2.79 0.00 0.00 178.44 177.55 3i5n h GLU 1275N 1.30 0.34 -0.66 2.65 5.08 -0.54 -2.14 114.58 120.61 3i5n h GLU 1275Ca 0.34 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3i5n h GLU 1275Cb -0.07 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3i5n h GLU 1275CO -0.06 0.23 0.42 -0.07 -1.00 0.00 0.00 179.01 178.52 3i5n h LEU 1276N 0.35 0.69 -0.29 1.33 3.38 -0.87 0.34 115.31 120.24 3i5n h LEU 1276Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i5n h LEU 1276Cb -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3i5n h LEU 1276CO -0.05 0.48 0.00 0.24 0.09 0.00 0.00 178.44 179.21 3i5n h MET 1277N 0.82 0.00 -0.55 1.13 2.86 -1.15 -2.45 114.93 115.59 3i5n h MET 1277Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3i5n h MET 1277Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3i5n h MET 1277CO -0.09 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.13 3i5n n THR 1278N -2.73 0.72 -4.01 2.22 -2.24 -0.82 -4.57 114.28 102.86 3i5n n THR 1278Ca 0.04 -0.84 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 3i5n n THR 1278Cb 0.43 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 3i5n n THR 1278CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i5n n ARG 1279N 1.52 -2.97 -1.53 -0.78 1.74 -0.83 -3.55 116.66 110.26 3i5n n ARG 1279Ca 0.22 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3i5n n ARG 1279Cb 0.60 -4.40 0.00 0.00 -1.02 0.00 0.00 32.46 27.64 3i5n n ARG 1279CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i5n n GLY 1280N -2.06 0.88 3.78 -0.13 0.00 0.11 -3.95 105.19 103.82 3i5n n GLY 1280Ca -0.31 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3i5n n GLY 1280CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5n s ALA 1281N -2.21 3.10 0.07 4.61 0.00 -1.23 -4.95 121.76 121.15 3i5n s ALA 1281Ca 0.00 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 3i5n s ALA 1281Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 3i5n s ALA 1281CO 0.00 -0.30 1.37 -1.25 0.00 0.00 0.00 175.76 175.58 3i5n s PRO 1282N -2.43 4.32 0.33 0.00 0.04 -1.26 -4.80 135.00 131.21 3i5n s PRO 1282Ca 0.57 2.00 -0.28 0.00 0.04 0.00 0.00 61.00 63.34 3i5n s PRO 1282Cb -0.24 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 30.84 3i5n s PRO 1282CO 0.31 -0.46 1.18 -1.25 0.04 0.00 0.00 177.00 176.82 3i5n s PRO 1283N 1.49 4.39 -1.10 0.56 0.04 -1.26 -4.04 135.00 135.08 3i5n s PRO 1283Ca 0.64 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 3i5n s PRO 1283Cb -0.34 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 3i5n s PRO 1283CO 0.29 -0.06 0.79 0.66 0.04 0.00 0.00 177.00 178.72 3i5n n TYR 1284N 0.73 -1.99 -0.12 0.56 4.01 -1.26 -4.89 117.16 114.20 3i5n n TYR 1284Ca 0.01 0.52 -0.05 0.00 -0.16 0.00 0.00 57.90 58.22 3i5n n TYR 1284Cb 0.44 -3.46 0.15 0.00 -0.31 0.00 0.00 39.34 36.17 3i5n n TYR 1284CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i5n h PRO 1285N -1.67 0.81 -0.52 -0.72 0.13 -2.01 -2.67 132.00 125.36 3i5n h PRO 1285Ca -0.63 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 3i5n h PRO 1285Cb 1.34 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3i5n h PRO 1285CO 0.46 0.81 0.00 -0.25 -0.23 0.00 0.00 178.00 178.80 3i5n n ASP 1286N -4.21 2.06 -4.68 1.44 8.00 -1.26 -4.75 116.55 113.15 3i5n n ASP 1286Ca 0.03 -2.15 -0.35 0.00 0.71 0.00 0.00 54.79 53.03 3i5n n ASP 1286Cb 0.30 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 3i5n n ASP 1286CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i5n s VAL 1287N -1.64 4.43 -0.46 2.53 1.01 -1.01 -5.10 120.40 120.17 3i5n s VAL 1287Ca 0.20 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 3i5n s VAL 1287Cb 0.12 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.66 3i5n s VAL 1287CO 0.10 0.58 0.40 0.20 0.00 0.00 0.00 175.10 176.38 3i5n s ASN 1288N -0.63 6.15 0.36 3.32 -0.87 -1.26 -5.02 114.94 116.99 3i5n s ASN 1288Ca 0.10 -1.11 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 3i5n s ASN 1288Cb -0.12 -2.19 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 3i5n s ASN 1288CO 0.02 -0.62 0.00 0.35 -2.57 0.00 0.00 177.10 174.29 3i5n n THR 1289N 5.26 0.00 0.87 1.60 -2.24 -1.26 -1.45 114.28 117.06 3i5n n THR 1289Ca -0.11 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 3i5n n THR 1289Cb 0.45 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.14 3i5n n THR 1289CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i5n n PHE 1290N 7.86 0.00 1.17 4.78 3.72 -1.26 -2.45 117.46 131.28 3i5n n PHE 1290Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3i5n n PHE 1290Cb 0.00 -0.27 0.30 0.00 -0.94 0.00 0.00 39.48 38.57 3i5n n PHE 1290CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3i5n n ASP 1291N -1.27 0.00 -0.05 4.37 4.64 -0.52 -3.44 116.55 120.27 3i5n n ASP 1291Ca 0.09 -0.85 -0.08 0.00 -1.38 0.00 0.00 54.79 52.56 3i5n n ASP 1291Cb 0.14 0.00 0.08 0.00 -1.04 0.00 0.00 41.12 40.30 3i5n n ASP 1291CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3i5n h ILE 1292N 0.00 1.28 -0.82 5.18 6.09 -1.69 -1.57 117.51 125.98 3i5n h ILE 1292Ca 0.00 -1.48 -0.04 0.00 -1.37 0.00 0.00 64.86 61.98 3i5n h ILE 1292Cb 0.00 1.40 -0.04 0.00 0.47 0.00 0.00 36.82 38.65 3i5n h ILE 1292CO 0.00 0.48 0.37 0.74 -3.07 0.00 0.00 178.15 176.67 3i5n h THR 1293N 0.58 1.26 -0.15 2.19 2.02 -1.86 0.65 112.91 117.60 3i5n h THR 1293Ca 0.06 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 3i5n h THR 1293Cb 0.85 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3i5n h THR 1293CO 0.07 0.32 0.01 0.58 0.37 0.00 0.00 175.52 176.88 3i5n h VAL 1294N 1.17 1.23 -0.44 3.16 2.07 -1.76 -2.01 116.25 119.68 3i5n h VAL 1294Ca 0.28 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3i5n h VAL 1294Cb 0.15 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3i5n h VAL 1294CO -0.03 0.23 0.12 0.22 0.02 0.00 0.00 177.57 178.12 3i5n h TYR 1295N 0.02 0.20 -0.40 1.57 3.20 -1.01 -2.55 116.97 118.01 3i5n h TYR 1295Ca 0.04 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3i5n h TYR 1295Cb 0.33 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3i5n h TYR 1295CO 0.02 0.05 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.42 3i5n h LEU 1296N 0.27 0.78 0.00 2.82 3.38 -0.86 -2.99 115.31 118.70 3i5n h LEU 1296Ca 0.21 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3i5n h LEU 1296Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3i5n h LEU 1296CO -0.25 0.96 0.00 0.18 0.09 0.00 0.00 178.44 179.43 3i5n n LEU 1297N -4.33 0.00 0.06 1.67 4.77 -0.76 -1.19 117.00 117.21 3i5n n LEU 1297Ca -0.01 0.44 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 3i5n n LEU 1297Cb 0.36 -0.44 0.42 0.00 -2.33 0.00 0.00 43.42 41.43 3i5n n LEU 1297CO 0.43 -0.18 0.82 0.00 -1.33 0.00 0.00 177.39 177.12 3i5n n GLN 1298N -1.44 0.10 0.00 3.23 6.02 -0.98 -4.87 117.38 119.44 3i5n n GLN 1298Ca 0.05 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3i5n n GLN 1298Cb 0.18 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.77 3i5n n GLN 1298CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i5n n GLY 1299N 0.28 0.87 3.38 1.08 0.00 -0.34 -5.12 105.19 105.35 3i5n n GLY 1299Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3i5n n GLY 1299CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5n s ARG 1300N 0.26 1.47 0.09 1.61 0.52 -1.01 -5.10 118.95 116.80 3i5n s ARG 1300Ca 0.00 -1.30 -0.00 0.00 -0.52 0.00 0.00 55.73 53.91 3i5n s ARG 1300Cb 0.00 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 3i5n s ARG 1300CO 0.00 0.46 -0.01 1.03 0.02 0.00 0.00 175.30 176.80 3i5n s ARG 1301N -1.89 0.79 0.34 3.54 1.81 -1.26 -4.68 118.95 117.60 3i5n s ARG 1301Ca 0.13 -1.33 -0.28 0.00 -1.72 0.00 0.00 55.73 52.53 3i5n s ARG 1301Cb -0.10 0.09 -0.12 0.00 -0.45 0.00 0.00 34.95 34.36 3i5n s ARG 1301CO 0.05 -0.13 1.23 1.28 -0.68 0.00 0.00 175.30 177.05 3i5n n LEU 1302N -0.01 3.25 -4.83 2.53 4.77 -1.26 -4.97 117.00 116.49 3i5n n LEU 1302Ca -0.11 1.19 -0.31 0.00 -0.03 0.00 0.00 56.01 56.75 3i5n n LEU 1302Cb 0.62 -1.45 0.03 0.00 -2.33 0.00 0.00 43.42 40.30 3i5n n LEU 1302CO 0.30 -0.70 0.71 -0.76 -1.33 0.00 0.00 177.39 175.61 3i5n s LEU 1303N -0.80 3.23 -0.19 2.23 1.43 -1.26 -4.98 118.68 118.33 3i5n s LEU 1303Ca 0.57 1.61 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 3i5n s LEU 1303Cb -0.59 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.11 3i5n s LEU 1303CO 0.61 -1.27 1.47 -1.58 0.23 0.00 0.00 176.35 175.81 3i5n s GLN 1304N -4.87 4.00 0.65 1.70 0.74 -1.26 -5.00 119.66 115.62 3i5n s GLN 1304Ca 0.58 1.67 -0.18 0.00 0.05 0.00 0.00 55.36 57.48 3i5n s GLN 1304Cb -0.14 -3.92 -0.01 0.00 1.10 0.00 0.00 33.01 30.04 3i5n s GLN 1304CO 0.51 -1.03 1.27 -2.14 -0.55 0.00 0.00 175.29 173.35 3i5n s PRO 1305N 4.15 2.59 0.24 1.67 0.02 -1.26 -4.92 135.00 137.49 3i5n s PRO 1305Ca 0.64 1.98 -0.04 0.00 0.02 0.00 0.00 61.00 63.61 3i5n s PRO 1305Cb -0.24 -1.86 0.43 0.00 0.02 0.00 0.00 34.50 32.86 3i5n s PRO 1305CO 0.24 -1.55 1.77 1.49 -0.33 0.00 0.00 177.00 178.62 3i5n h GLU 1306N 0.52 0.59 -0.01 5.54 4.81 -1.94 -2.18 114.58 121.91 3i5n h GLU 1306Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3i5n h GLU 1306Cb 1.33 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3i5n h GLU 1306CO 0.53 0.39 -0.30 0.66 -0.73 0.00 0.00 179.01 179.56 3i5n n TYR 1307N -4.87 0.00 -2.22 0.92 4.02 -1.26 -4.89 117.16 108.86 3i5n n TYR 1307Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.60 3i5n n TYR 1307Cb 0.35 -0.10 -0.02 0.00 -0.02 0.00 0.00 39.34 39.55 3i5n n TYR 1307CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i5n s PRO 1309N 3.54 3.33 0.20 0.00 0.02 -1.26 -4.83 135.00 135.99 3i5n s PRO 1309Ca 0.64 2.33 -0.13 0.00 0.02 0.00 0.00 61.00 63.86 3i5n s PRO 1309Cb -0.28 -2.41 0.22 0.00 0.02 0.00 0.00 34.50 32.05 3i5n s PRO 1309CO 0.23 -1.07 1.67 -0.44 -0.33 0.00 0.00 177.00 177.05 3i5n h ASP 1310N 1.77 -0.29 0.34 2.53 3.32 -1.97 -1.23 116.42 120.89 3i5n h ASP 1310Ca -0.51 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 3i5n h ASP 1310Cb 1.29 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 3i5n h ASP 1310CO 0.59 -0.11 -0.21 1.55 -1.72 0.00 0.00 179.24 179.34 3i5n h PRO 1311N 0.09 0.00 -0.26 3.56 0.13 -1.99 -0.96 132.00 132.57 3i5n h PRO 1311Ca 0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.28 3i5n h PRO 1311Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 3i5n h PRO 1311CO -0.48 0.21 -0.37 1.25 -0.23 0.00 0.00 178.00 178.38 3i5n h LEU 1312N 0.00 0.62 -0.56 1.56 5.85 -1.62 -1.28 115.31 119.87 3i5n h LEU 1312Ca -0.00 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 3i5n h LEU 1312Cb 0.43 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3i5n h LEU 1312CO 0.03 0.93 -0.13 0.22 -0.34 0.00 0.00 178.44 179.14 3i5n h TYR 1313N 0.49 1.14 -0.85 1.25 3.20 -0.70 -1.07 116.97 120.44 3i5n h TYR 1313Ca 0.05 -0.24 0.06 0.00 3.14 0.00 0.00 58.73 61.74 3i5n h TYR 1313Cb 0.86 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 3i5n h TYR 1313CO 0.04 1.07 0.55 0.93 -1.64 0.00 0.00 178.16 179.10 3i5n h GLU 1314N 0.90 0.92 -0.31 1.82 5.08 -1.05 -0.23 114.58 121.70 3i5n h GLU 1314Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3i5n h GLU 1314Cb 0.70 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3i5n h GLU 1314CO 0.05 0.61 0.12 0.28 -1.00 0.00 0.00 179.01 179.07 3i5n h VAL 1315N 0.95 1.19 -0.59 3.13 2.07 -0.72 -2.17 116.25 120.11 3i5n h VAL 1315Ca 0.36 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.36 3i5n h VAL 1315Cb 0.21 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3i5n h VAL 1315CO -0.13 0.20 0.30 0.24 0.02 0.00 0.00 177.57 178.20 3i5n h MET 1316N 0.35 0.54 -0.56 1.57 2.86 -0.47 -1.14 114.93 118.09 3i5n h MET 1316Ca 0.10 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3i5n h MET 1316Cb 0.20 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3i5n h MET 1316CO -0.01 0.36 0.16 -0.07 1.06 0.00 0.00 176.91 178.41 3i5n h LEU 1317N 0.56 0.79 -0.71 1.22 3.38 -0.95 -2.00 115.31 117.60 3i5n h LEU 1317Ca 0.27 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3i5n h LEU 1317Cb 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3i5n h LEU 1317CO -0.19 0.76 0.21 0.11 0.09 0.00 0.00 178.44 179.42 3i5n h LYS 1318N 0.82 1.11 -0.03 1.13 1.57 -0.94 -2.66 116.57 117.57 3i5n h LYS 1318Ca 0.18 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3i5n h LYS 1318Cb 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3i5n h LYS 1318CO -0.01 0.96 -0.09 0.00 -0.57 0.00 0.00 179.45 179.74 3i5n n TRP 1320N -4.40 2.20 -1.65 0.00 8.01 -0.80 -3.41 117.44 117.38 3i5n n TRP 1320Ca -0.02 -0.91 -0.45 0.00 -1.31 0.00 0.00 57.50 54.81 3i5n n TRP 1320Cb 0.18 -0.58 -0.03 0.00 -2.01 0.00 0.00 31.31 28.88 3i5n n TRP 1320CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3i5n n HIS 1321N 0.28 1.98 0.26 -5.99 -0.00 -0.97 -4.87 115.22 105.91 3i5n n HIS 1321Ca 0.33 0.50 0.09 0.00 0.46 0.00 0.00 57.72 59.10 3i5n n HIS 1321Cb 1.26 -2.41 0.67 0.00 -0.12 0.00 0.00 29.99 29.39 3i5n n HIS 1321CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3i5n h PRO 1322N 3.72 0.00 -4.86 1.57 0.11 -1.92 -3.38 132.00 127.25 3i5n h PRO 1322Ca -0.44 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.98 3i5n h PRO 1322Cb 1.29 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.22 3i5n h PRO 1322CO 0.72 0.03 -0.24 0.15 -0.21 0.00 0.00 178.00 178.45 3i5n s LYS 1323N -4.92 3.20 0.26 1.05 1.02 -1.26 -4.94 119.74 114.14 3i5n s LYS 1323Ca -0.05 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 3i5n s LYS 1323Cb 0.16 -3.93 0.53 0.00 -0.52 0.00 0.00 37.83 34.08 3i5n s LYS 1323CO 0.65 -0.77 1.69 0.00 -0.92 0.00 0.00 175.35 176.01 3i5n h ALA 1324N 8.66 1.08 0.00 5.17 0.00 -1.96 0.06 119.26 132.28 3i5n h ALA 1324Ca -0.27 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i5n h ALA 1324Cb 1.12 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3i5n h ALA 1324CO 0.77 -0.33 0.00 1.05 0.00 0.00 0.00 179.25 180.74 3i5n h GLU 1325N 0.32 0.00 0.00 0.00 9.09 -1.94 -2.33 114.58 119.72 3i5n h GLU 1325Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 3i5n h GLU 1325Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 3i5n h GLU 1325CO -0.51 0.00 -0.66 -1.33 0.05 0.00 0.00 179.01 176.56 3i5n n MET 1326N -2.50 0.02 -2.16 1.06 2.81 0.00 -4.92 117.12 111.43 3i5n n MET 1326Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 3i5n n MET 1326Cb 0.16 -1.51 0.01 0.00 -0.71 0.00 0.00 33.22 31.18 3i5n n MET 1326CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3i5n s ARG 1327N -3.02 3.21 0.50 0.03 0.52 -0.88 -4.98 118.95 114.34 3i5n s ARG 1327Ca 0.10 1.69 -0.21 0.00 -0.52 0.00 0.00 55.73 56.79 3i5n s ARG 1327Cb 0.17 -1.98 -0.07 0.00 0.52 0.00 0.00 34.95 33.60 3i5n s ARG 1327CO 0.75 -0.98 1.14 -2.14 0.02 0.00 0.00 175.30 174.09 3i5n s PRO 1328N -3.31 3.55 0.99 3.54 0.02 -1.26 -5.02 135.00 133.51 3i5n s PRO 1328Ca 0.74 1.66 -0.12 0.00 0.02 0.00 0.00 61.00 63.31 3i5n s PRO 1328Cb -0.26 -2.18 0.18 0.00 0.02 0.00 0.00 34.50 32.26 3i5n s PRO 1328CO 0.29 -0.70 1.08 -1.54 -0.33 0.00 0.00 177.00 175.81 3i5n s SER 1329N -1.61 2.59 0.34 2.53 1.04 -1.26 -4.87 113.70 112.47 3i5n s SER 1329Ca 0.69 1.54 0.11 0.00 0.48 0.00 0.00 55.95 58.76 3i5n s SER 1329Cb -0.25 -2.21 0.61 0.00 0.10 0.00 0.00 66.02 64.26 3i5n s SER 1329CO 0.30 -3.20 1.77 -0.26 0.98 0.00 0.00 173.24 172.83 3i5n h PHE 1330N -1.94 0.07 -0.69 5.02 0.04 -1.92 -2.09 116.94 115.44 3i5n h PHE 1330Ca -0.53 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.25 3i5n h PHE 1330Cb 1.30 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.39 3i5n h PHE 1330CO 0.37 0.47 0.44 1.03 -0.60 0.00 0.00 178.31 180.01 3i5n h SER 1331N 0.06 0.72 -0.37 2.17 0.87 -1.92 -0.32 113.55 114.75 3i5n h SER 1331Ca 0.00 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3i5n h SER 1331Cb 0.75 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3i5n h SER 1331CO 0.06 0.50 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.64 3i5n h GLU 1332N 0.86 0.83 -0.56 2.24 4.81 -1.86 -2.29 114.58 118.61 3i5n h GLU 1332Ca 0.27 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3i5n h GLU 1332Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3i5n h GLU 1332CO -0.10 0.92 0.20 -0.07 -0.73 0.00 0.00 179.01 179.23 3i5n h LEU 1333N 0.74 0.79 -0.46 1.64 3.38 -1.00 -0.04 115.31 120.36 3i5n h LEU 1333Ca 0.12 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3i5n h LEU 1333Cb 0.65 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3i5n h LEU 1333CO 0.05 0.77 0.24 0.58 0.09 0.00 0.00 178.44 180.16 3i5n h VAL 1334N 0.77 0.98 0.35 1.22 2.07 -0.93 -0.89 116.25 119.83 3i5n h VAL 1334Ca 0.18 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3i5n h VAL 1334Cb 0.24 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3i5n h VAL 1334CO -0.01 0.09 -0.17 -1.28 0.02 0.00 0.00 177.57 176.22 3i5n h SER 1335N 0.48 -0.40 -0.71 0.57 0.87 -1.14 -0.76 113.55 112.45 3i5n h SER 1335Ca 0.20 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3i5n h SER 1335Cb 0.09 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 3i5n h SER 1335CO -0.13 -0.15 0.46 0.03 -0.53 0.00 0.00 176.83 176.51 3i5n h ARG 1336N -0.66 0.89 -0.08 2.24 3.08 -0.98 -2.54 114.38 116.33 3i5n h ARG 1336Ca -0.05 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.75 3i5n h ARG 1336Cb 0.47 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3i5n h ARG 1336CO 0.08 0.59 -0.77 0.82 -1.07 0.00 0.00 179.97 179.63 3i5n h ILE 1337N 0.92 1.36 -1.01 2.04 2.04 -1.17 -2.71 117.51 118.98 3i5n h ILE 1337Ca 0.27 -2.15 0.02 0.00 1.00 0.00 0.00 64.86 64.01 3i5n h ILE 1337Cb -0.06 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3i5n h ILE 1337CO -0.08 0.65 0.67 0.77 0.00 0.00 0.00 178.15 180.16 3i5n h SER 1338N 0.32 1.13 -0.00 1.72 4.64 -0.95 0.13 113.55 120.54 3i5n h SER 1338Ca -0.04 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3i5n h SER 1338Cb 1.36 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3i5n h SER 1338CO 0.14 0.80 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 3i5n h ALA 1339N 1.39 0.00 -0.47 5.18 0.00 -1.39 -1.70 119.26 122.28 3i5n h ALA 1339Ca 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3i5n h ALA 1339Cb -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i5n h ALA 1339CO -0.10 -0.46 0.23 0.82 0.00 0.00 0.00 179.25 179.73 3i5n h ILE 1340N -0.07 1.18 -0.70 0.00 2.04 -1.16 -2.65 117.51 116.15 3i5n h ILE 1340Ca 0.00 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.45 3i5n h ILE 1340Cb 0.07 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 36.74 3i5n h ILE 1340CO -0.00 0.20 0.33 0.15 0.00 0.00 0.00 178.15 178.83 3i5n h PHE 1341N 0.61 0.58 0.00 1.37 3.57 -0.94 -2.46 116.94 119.67 3i5n h PHE 1341Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3i5n h PHE 1341Cb 0.11 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3i5n h PHE 1341CO -0.01 0.18 0.00 0.66 -2.23 0.00 0.00 178.31 176.91 3i5n h SER 1342N 0.54 0.00 1.52 0.41 4.64 -0.94 -2.58 113.55 117.15 3i5n h SER 1342Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3i5n h SER 1342Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3i5n h SER 1342CO -0.30 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 176.37 3i5n h THR 1343N 0.00 0.00 -3.15 2.95 1.35 -1.38 -3.46 112.91 109.22 3i5n h THR 1343Ca 0.00 -0.58 -0.56 0.00 -0.55 0.00 0.00 66.41 64.72 3i5n h THR 1343Cb 0.19 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 3i5n h THR 1343CO 0.00 0.00 -0.27 -0.36 -0.25 0.00 0.00 175.52 174.64 3i5n s PHE 1344N -3.16 3.47 -0.07 4.73 0.40 -0.97 -5.11 117.98 117.27 3i5n s PHE 1344Ca 0.09 0.57 0.04 0.00 -0.60 0.00 0.00 56.93 57.03 3i5n s PHE 1344Cb 0.10 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 3i5n s PHE 1344CO 0.60 0.37 -0.19 0.42 0.70 0.00 0.00 175.22 177.12 3i5n s ILE 1345N -1.76 2.56 0.00 0.64 1.01 -1.26 -5.06 121.20 117.33 3i5n s ILE 1345Ca 0.42 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3i5n s ILE 1345Cb -0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3i5n s ILE 1345CO 0.26 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.37