#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsy s SER 1002N 0.00 -0.72 0.11 0.00 0.15 -1.26 -1.78 113.70 110.19 1vsy s SER 1002Ca 0.00 -0.55 0.04 0.00 0.70 0.00 0.00 55.95 56.14 1vsy s SER 1002Cb 0.00 0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 65.21 1vsy s SER 1002CO 0.00 -0.06 -0.11 0.27 1.20 0.00 0.00 173.24 174.54 1vsy s ILE 1003N 1.54 1.03 0.20 6.45 -4.36 -1.09 -2.61 121.20 122.38 1vsy s ILE 1003Ca 0.19 -1.73 -0.17 0.00 -0.26 0.00 0.00 60.65 58.68 1vsy s ILE 1003Cb 0.04 -1.47 0.02 0.00 1.25 0.00 0.00 42.46 42.30 1vsy s ILE 1003CO -0.11 -0.57 0.53 0.00 0.24 0.00 0.00 174.94 175.03 1vsy s MET 1004N -2.95 1.42 -0.11 0.37 0.23 -0.73 -0.54 119.30 116.98 1vsy s MET 1004Ca 0.08 -0.91 -0.09 0.00 -1.03 0.00 0.00 55.69 53.74 1vsy s MET 1004Cb -0.02 0.52 0.03 0.00 -1.53 0.00 0.00 34.83 33.83 1vsy s MET 1004CO 0.00 -0.60 0.29 0.00 -2.03 0.00 0.00 175.02 172.68 1vsy s ALA 1005N -3.89 -0.71 -0.02 3.16 0.00 -0.46 -1.38 121.76 118.47 1vsy s ALA 1005Ca 0.10 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1vsy s ALA 1005Cb -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1vsy s ALA 1005CO -0.01 -0.15 -0.15 0.08 0.00 0.00 0.00 175.76 175.52 1vsy s VAL 1006N 0.41 1.20 0.15 0.00 1.01 -0.25 -1.42 120.40 121.50 1vsy s VAL 1006Ca -0.02 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1vsy s VAL 1006Cb -0.04 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1vsy s VAL 1006CO -0.02 0.34 0.29 0.42 0.00 0.00 0.00 175.10 176.13 1vsy s THR 1007N -0.29 5.32 0.00 3.92 -4.23 -0.80 0.08 115.64 119.63 1vsy s THR 1007Ca 0.04 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1vsy s THR 1007Cb -0.07 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1vsy s THR 1007CO -0.00 -0.09 0.00 2.22 -0.54 0.00 0.00 174.62 176.21 1vsy n PHE 1008N -0.52 -0.50 -0.25 3.99 -1.74 -0.32 -4.47 117.46 113.65 1vsy n PHE 1008Ca -0.07 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.84 1vsy n PHE 1008Cb 0.54 0.00 0.14 0.00 1.52 0.00 0.00 39.48 41.68 1vsy n PHE 1008CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1vsy h LYS 1009N 0.00 0.64 0.00 3.97 3.64 -1.72 -2.97 116.57 120.13 1vsy h LYS 1009Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1vsy h LYS 1009Cb 0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1vsy h LYS 1009CO 0.00 0.42 -1.09 -0.25 -2.27 0.00 0.00 179.45 176.26 1vsy n ASP 1010N -4.82 0.74 0.00 4.20 8.00 -1.26 -4.92 116.55 118.48 1vsy n ASP 1010Ca 0.11 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1vsy n ASP 1010Cb 0.26 1.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 1vsy n ASP 1010CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsy n GLY 1011N 1.45 -0.49 3.24 0.44 0.00 -1.12 -4.38 105.19 104.33 1vsy n GLY 1011Ca 0.03 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1vsy n GLY 1011CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsy s VAL 1012N 0.00 0.05 -0.05 1.61 0.11 -1.09 -1.18 120.40 119.85 1vsy s VAL 1012Ca 0.00 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 1vsy s VAL 1012Cb 0.00 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 1vsy s VAL 1012CO 0.00 -0.21 -0.10 -0.63 -3.33 0.00 0.00 175.10 170.83 1vsy s ILE 1013N -1.02 0.97 -0.04 7.04 1.01 0.11 -1.33 121.20 127.94 1vsy s ILE 1013Ca -0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1vsy s ILE 1013Cb -0.05 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1vsy s ILE 1013CO 0.03 0.31 0.07 -0.76 0.00 0.00 0.00 174.94 174.59 1vsy s LEU 1014N 0.55 3.88 0.01 2.97 1.02 -0.11 -1.09 118.68 125.91 1vsy s LEU 1014Ca -0.11 0.19 -0.04 0.00 0.02 0.00 0.00 54.13 54.19 1vsy s LEU 1014Cb -0.14 -2.12 -0.01 0.00 0.02 0.00 0.00 46.19 43.95 1vsy s LEU 1014CO 0.02 0.32 0.07 -0.83 0.02 0.00 0.00 176.35 175.96 1vsy s GLY 1015N -1.41 0.12 0.15 -3.19 0.00 -0.48 -0.42 107.32 102.09 1vsy s GLY 1015Ca 0.19 -0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.37 1vsy s GLY 1015CO 0.09 -0.41 0.72 0.00 0.00 0.00 0.00 173.10 173.51 1vsy s ALA 1016N -1.39 -1.56 0.62 3.20 0.00 -0.21 -1.78 121.76 120.64 1vsy s ALA 1016Ca -0.15 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1vsy s ALA 1016Cb -0.08 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1vsy s ALA 1016CO 0.01 -0.85 0.00 -0.40 0.00 0.00 0.00 175.76 174.52 1vsy n ASP 1017N -0.38 0.00 -1.50 0.00 5.75 -1.07 -1.26 116.55 118.09 1vsy n ASP 1017Ca -0.11 -0.39 0.03 0.00 -0.01 0.00 0.00 54.79 54.31 1vsy n ASP 1017Cb 0.63 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.73 1vsy n ASP 1017CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1vsy n SER 1018N -1.17 0.80 -4.09 -1.12 3.41 -0.37 -4.48 113.62 106.61 1vsy n SER 1018Ca 0.00 -2.00 -0.34 0.00 -0.26 0.00 0.00 58.87 56.27 1vsy n SER 1018Cb 0.00 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 63.58 1vsy n SER 1018CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1vsy s ARG 1019N -0.12 1.89 -0.26 4.33 3.52 -1.10 -1.31 118.95 125.89 1vsy s ARG 1019Ca 0.30 -1.76 -0.14 0.00 -0.13 0.00 0.00 55.73 54.01 1vsy s ARG 1019Cb 0.35 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 1vsy s ARG 1019CO -0.15 -0.95 0.31 0.95 -0.81 0.00 0.00 175.30 174.65 1vsy s THR 1020N 1.07 5.23 -0.08 4.11 -4.23 -1.02 -4.66 115.64 116.06 1vsy s THR 1020Ca 0.07 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 1vsy s THR 1020Cb -0.21 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 1vsy s THR 1020CO -0.05 0.21 -0.13 0.42 -0.54 0.00 0.00 174.62 174.53 1vsy s THR 1021N 1.77 3.11 -0.37 3.99 -4.23 -1.26 -2.37 115.64 116.28 1vsy s THR 1021Ca 0.13 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1vsy s THR 1021Cb -0.15 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.50 1vsy s THR 1021CO 0.09 0.57 0.14 0.42 -0.54 0.00 0.00 174.62 175.29 1vsy s THR 1022N -0.31 3.53 0.00 3.99 -4.23 -1.00 -4.95 115.64 112.66 1vsy s THR 1022Ca 0.03 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1vsy s THR 1022Cb -0.13 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1vsy s THR 1022CO 0.03 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1vsy n GLY 1023N 4.72 0.53 0.32 3.99 0.00 -1.26 -3.30 105.19 110.20 1vsy n GLY 1023Ca -0.09 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.27 1vsy n GLY 1023CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsy n ALA 1024N 8.92 3.87 -2.71 4.61 0.00 -1.26 -4.94 120.51 129.00 1vsy n ALA 1024Ca 0.00 -0.61 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 1vsy n ALA 1024Cb 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 1vsy n ALA 1024CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1vsy s TYR 1025N -2.64 3.51 -0.75 0.00 5.04 -1.21 -5.03 117.35 116.27 1vsy s TYR 1025Ca 0.16 0.68 -0.23 0.00 -2.44 0.00 0.00 57.07 55.24 1vsy s TYR 1025Cb 0.18 -2.34 0.06 0.00 0.35 0.00 0.00 41.96 40.21 1vsy s TYR 1025CO 0.66 0.31 1.12 0.42 -1.34 0.00 0.00 175.55 176.72 1vsy s ILE 1026N 0.21 4.15 0.21 3.14 1.01 -1.26 -2.37 121.20 126.29 1vsy s ILE 1026Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 1vsy s ILE 1026Cb -0.14 -4.80 -0.03 0.00 0.01 0.00 0.00 42.46 37.50 1vsy s ILE 1026CO 0.06 -1.63 1.55 0.00 0.00 0.00 0.00 174.94 174.92 1vsy h ALA 1027N 9.64 0.77 -3.41 9.38 0.00 -1.81 -3.42 119.26 130.41 1vsy h ALA 1027Ca -0.19 -0.48 -0.30 0.00 0.00 0.00 0.00 54.91 53.94 1vsy h ALA 1027Cb 1.05 -0.10 -0.34 0.00 0.00 0.00 0.00 17.79 18.40 1vsy h ALA 1027CO 1.23 0.67 -0.70 1.21 0.00 0.00 0.00 179.25 181.65 1vsy s ASN 1028N -6.89 0.23 -0.18 0.00 2.47 -1.20 -5.04 114.94 104.34 1vsy s ASN 1028Ca -0.07 0.11 0.16 0.00 0.42 0.00 0.00 52.86 53.48 1vsy s ASN 1028Cb 0.12 -0.01 0.59 0.00 -1.45 0.00 0.00 41.25 40.50 1vsy s ASN 1028CO 0.83 -0.16 1.50 -2.11 -3.72 0.00 0.00 177.10 173.44 1vsy n ARG 1029N 4.42 3.41 -1.19 0.43 1.85 -1.26 -2.44 116.66 121.88 1vsy n ARG 1029Ca -0.23 -2.88 0.03 0.00 -1.00 0.00 0.00 57.85 53.77 1vsy n ARG 1029Cb 0.50 -1.91 0.02 0.00 -1.05 0.00 0.00 32.46 30.02 1vsy n ARG 1029CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1vsy n VAL 1030N -0.14 0.03 -1.71 8.89 0.24 -1.01 -4.30 118.33 120.33 1vsy n VAL 1030Ca 0.22 -0.74 -0.43 0.00 -2.04 0.00 0.00 64.34 61.36 1vsy n VAL 1030Cb 0.94 0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 34.12 1vsy n VAL 1030CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1vsy n THR 1031N 0.33 0.98 -2.91 3.34 -1.04 -0.43 -4.93 114.28 109.62 1vsy n THR 1031Ca 0.04 -0.25 -0.44 0.00 -2.04 0.00 0.00 64.05 61.37 1vsy n THR 1031Cb 1.01 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 67.74 1vsy n THR 1031CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1vsy s ASP 1032N 0.42 6.84 0.00 8.00 2.15 -1.26 -4.39 116.67 128.42 1vsy s ASP 1032Ca 0.66 -2.48 0.28 0.00 0.43 0.00 0.00 52.55 51.45 1vsy s ASP 1032Cb -0.56 -2.41 1.55 0.00 -0.30 0.00 0.00 42.92 41.20 1vsy s ASP 1032CO 0.49 -0.94 2.01 0.29 -0.17 0.00 0.00 175.17 176.85 1vsy n LYS 1033N 6.29 0.61 -3.28 4.34 5.02 -1.26 -4.50 118.16 125.39 1vsy n LYS 1033Ca 0.31 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 56.18 1vsy n LYS 1033Cb 0.46 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 1vsy n LYS 1033CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vsy s LEU 1034N -2.33 4.91 0.03 -0.35 1.43 -1.26 -1.67 118.68 119.44 1vsy s LEU 1034Ca 0.34 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1vsy s LEU 1034Cb 0.19 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1vsy s LEU 1034CO 0.39 -0.66 -0.24 -0.89 0.23 0.00 0.00 176.35 175.18 1vsy s THR 1035N 2.25 2.31 -0.23 5.49 2.01 -0.86 -4.97 115.64 121.65 1vsy s THR 1035Ca 0.13 -1.28 -0.06 0.00 0.31 0.00 0.00 61.69 60.79 1vsy s THR 1035Cb -0.18 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1vsy s THR 1035CO 0.13 0.40 0.04 -0.60 -0.69 0.00 0.00 174.62 173.90 1vsy s ARG 1036N -1.18 3.64 0.00 4.92 3.52 -1.26 -0.37 118.95 128.22 1vsy s ARG 1036Ca 0.12 -0.49 0.15 0.00 -0.13 0.00 0.00 55.73 55.37 1vsy s ARG 1036Cb -0.10 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1vsy s ARG 1036CO 0.02 -0.10 0.84 1.33 -0.81 0.00 0.00 175.30 176.58 1vsy n VAL 1037N 4.63 0.00 -3.64 7.11 0.24 -0.94 -4.92 118.33 120.80 1vsy n VAL 1037Ca -0.17 -0.39 -0.02 0.00 -2.04 0.00 0.00 64.34 61.72 1vsy n VAL 1037Cb 0.51 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 34.06 1vsy n VAL 1037CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1vsy s HIS 1038N -1.61 -0.02 0.00 6.34 2.46 -0.88 -4.68 115.29 116.90 1vsy s HIS 1038Ca 0.13 0.03 -0.00 0.00 0.47 0.00 0.00 55.06 55.69 1vsy s HIS 1038Cb 0.12 0.50 -0.00 0.00 -0.13 0.00 0.00 32.58 33.07 1vsy s HIS 1038CO 0.31 -0.03 0.07 -0.25 -2.47 0.00 0.00 174.74 172.37 1vsy n ASP 1039N 0.25 -0.01 -2.25 9.88 9.92 -1.26 -0.89 116.55 132.19 1vsy n ASP 1039Ca 0.03 0.07 -0.20 0.00 -0.53 0.00 0.00 54.79 54.16 1vsy n ASP 1039Cb 0.58 -0.03 0.02 0.00 -0.64 0.00 0.00 41.12 41.05 1vsy n ASP 1039CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1vsy n LYS 1040N -2.32 3.21 -3.71 -1.24 5.02 -1.26 -4.92 118.16 112.93 1vsy n LYS 1040Ca 0.00 -4.10 -0.28 0.00 -2.02 0.00 0.00 58.31 51.91 1vsy n LYS 1040Cb 0.00 -2.13 -0.16 0.00 -0.02 0.00 0.00 35.03 32.72 1vsy n LYS 1040CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vsy s ILE 1041N -4.60 0.51 0.40 -0.18 1.01 -0.07 -1.67 121.20 116.61 1vsy s ILE 1041Ca 0.46 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1vsy s ILE 1041Cb 0.40 -1.15 -0.07 0.00 0.01 0.00 0.00 42.46 41.65 1vsy s ILE 1041CO -0.02 -0.37 0.03 0.26 0.00 0.00 0.00 174.94 174.85 1vsy s TRP 1042N 1.84 2.53 0.26 3.97 0.52 -0.17 -2.07 118.94 125.82 1vsy s TRP 1042Ca 0.02 -0.63 0.06 0.00 0.02 0.00 0.00 56.10 55.57 1vsy s TRP 1042Cb -0.17 -1.78 -0.06 0.00 -1.15 0.00 0.00 33.47 30.32 1vsy s TRP 1042CO -0.15 0.41 -0.06 0.00 0.02 0.00 0.00 176.95 177.17 1vsy s ARG 1045N 0.98 3.54 -0.28 0.00 0.52 -0.67 -2.24 118.95 120.81 1vsy s ARG 1045Ca -0.02 -0.08 -0.25 0.00 -0.52 0.00 0.00 55.73 54.87 1vsy s ARG 1045Cb -0.15 -3.15 0.09 0.00 0.52 0.00 0.00 34.95 32.27 1vsy s ARG 1045CO -0.02 0.71 0.85 -1.54 0.02 0.00 0.00 175.30 175.33 1vsy s SER 1046N -1.37 -0.62 0.00 0.23 1.04 -1.20 -4.84 113.70 106.93 1vsy s SER 1046Ca 0.22 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1vsy s SER 1046Cb -0.13 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.21 1vsy s SER 1046CO 0.11 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1vsy n GLY 1047N 2.53 -0.29 3.69 7.32 0.00 -1.26 -1.78 105.19 115.41 1vsy n GLY 1047Ca -0.13 -2.08 -0.44 0.00 0.00 0.00 0.00 46.02 43.36 1vsy n GLY 1047CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vsy n SER 1048N 0.00 3.58 0.07 1.61 2.88 -0.72 -4.85 113.62 116.19 1vsy n SER 1048Ca 0.00 1.05 -0.01 0.00 -1.33 0.00 0.00 58.87 58.58 1vsy n SER 1048Cb 0.00 -1.49 0.27 0.00 -0.75 0.00 0.00 64.21 62.24 1vsy n SER 1048CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsy h ALA 1049N 6.86 1.25 -0.23 -1.46 0.00 -1.94 -1.04 119.26 122.70 1vsy h ALA 1049Ca -0.45 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.01 1vsy h ALA 1049Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1vsy h ALA 1049CO 0.93 0.50 -0.42 0.00 0.00 0.00 0.00 179.25 180.26 1vsy h ALA 1050N 1.45 0.84 0.02 0.00 0.00 -1.98 -0.90 119.26 118.70 1vsy h ALA 1050Ca 0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1vsy h ALA 1050Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1vsy h ALA 1050CO 0.04 0.65 -0.01 -0.44 0.00 0.00 0.00 179.25 179.49 1vsy h ASP 1051N 0.46 -0.02 -0.43 0.00 3.32 -1.86 -2.60 116.42 115.28 1vsy h ASP 1051Ca 0.04 -0.70 -0.01 0.00 0.02 0.00 0.00 57.03 56.38 1vsy h ASP 1051Cb 0.92 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1vsy h ASP 1051CO 0.08 0.79 0.25 0.71 -1.72 0.00 0.00 179.24 179.36 1vsy h THR 1052N -0.94 1.14 -0.15 0.35 1.35 -1.25 -1.78 112.91 111.63 1vsy h THR 1052Ca -0.00 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1vsy h THR 1052Cb 0.72 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1vsy h THR 1052CO 0.00 0.16 -0.03 1.56 -0.25 0.00 0.00 175.52 176.96 1vsy h GLN 1053N 0.63 0.28 -0.60 4.72 4.20 -1.25 -2.28 115.11 120.80 1vsy h GLN 1053Ca 0.16 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1vsy h GLN 1053Cb 0.02 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1vsy h GLN 1053CO -0.03 0.55 0.38 0.00 -0.67 0.00 0.00 178.83 179.06 1vsy h ALA 1054N 0.72 0.78 0.70 3.87 0.00 -1.04 -0.78 119.26 123.51 1vsy h ALA 1054Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1vsy h ALA 1054Cb 0.44 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vsy h ALA 1054CO 0.01 0.14 -0.34 0.82 0.00 0.00 0.00 179.25 179.88 1vsy h ILE 1055N 0.76 0.28 -0.54 0.00 2.04 -1.36 -1.11 117.51 117.58 1vsy h ILE 1055Ca 0.24 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.10 1vsy h ILE 1055Cb -0.02 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.30 1vsy h ILE 1055CO -0.08 0.01 0.16 0.00 0.00 0.00 0.00 178.15 178.24 1vsy h ALA 1056N -0.74 0.65 -0.66 1.87 0.00 -1.32 0.45 119.26 119.52 1vsy h ALA 1056Ca -0.10 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1vsy h ALA 1056Cb 0.74 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1vsy h ALA 1056CO 0.16 -0.25 0.13 -0.44 0.00 0.00 0.00 179.25 178.85 1vsy h ASP 1057N 0.32 -0.02 0.78 0.00 5.19 -1.11 0.41 116.42 121.98 1vsy h ASP 1057Ca 0.27 0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.69 1vsy h ASP 1057Cb 0.34 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1vsy h ASP 1057CO -0.31 -0.02 -0.58 0.40 -3.12 0.00 0.00 179.24 175.62 1vsy h ILE 1058N 0.25 1.27 -0.02 0.35 2.04 0.33 -3.02 117.51 118.71 1vsy h ILE 1058Ca 0.36 -2.08 -0.23 0.00 1.00 0.00 0.00 64.86 63.91 1vsy h ILE 1058Cb 0.56 2.17 0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1vsy h ILE 1058CO -0.46 0.57 -0.92 0.58 0.00 0.00 0.00 178.15 177.92 1vsy h VAL 1059N 0.00 1.37 -0.68 1.67 2.07 0.60 -2.71 116.25 118.58 1vsy h VAL 1059Ca -0.01 -2.34 0.07 0.00 0.82 0.00 0.00 66.70 65.24 1vsy h VAL 1059Cb 1.12 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 1vsy h VAL 1059CO 0.08 0.71 0.45 -0.61 0.02 0.00 0.00 177.57 178.21 1vsy h GLN 1060N 0.28 0.62 0.36 1.57 4.15 -0.10 -1.54 115.11 120.46 1vsy h GLN 1060Ca -0.08 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1vsy h GLN 1060Cb 1.55 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1vsy h GLN 1060CO 0.16 0.41 -0.17 -0.92 -1.93 0.00 0.00 178.83 176.39 1vsy h TYR 1061N 0.64 -0.44 -1.25 3.99 5.03 -1.51 -1.47 116.97 121.95 1vsy h TYR 1061Ca 0.30 -0.01 0.38 0.00 2.58 0.00 0.00 58.73 61.98 1vsy h TYR 1061Cb 0.34 0.15 -0.11 0.00 1.55 0.00 0.00 36.73 38.65 1vsy h TYR 1061CO -0.00 -0.28 0.82 0.45 -1.32 0.00 0.00 178.16 177.83 1vsy h HIS 1062N -0.83 0.51 0.12 -3.82 3.86 -1.14 0.47 115.15 114.32 1vsy h HIS 1062Ca -0.05 0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 58.91 1vsy h HIS 1062Cb 0.37 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1vsy h HIS 1062CO 0.03 -0.11 -1.26 -0.07 0.86 0.00 0.00 177.93 177.39 1vsy h LEU 1063N 0.17 0.39 -1.24 2.43 3.38 -1.33 -1.07 115.31 118.04 1vsy h LEU 1063Ca 0.74 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1vsy h LEU 1063Cb 2.28 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.88 1vsy h LEU 1063CO -0.34 1.34 -0.00 -0.08 0.09 0.00 0.00 178.44 179.45 1vsy h GLU 1064N 0.07 0.51 0.23 1.13 4.81 0.99 -0.72 114.58 121.60 1vsy h GLU 1064Ca -0.14 -0.11 -0.33 0.00 -0.13 0.00 0.00 59.36 58.66 1vsy h GLU 1064Cb 1.96 -0.08 0.04 0.00 0.63 0.00 0.00 28.75 31.30 1vsy h GLU 1064CO 0.19 0.54 -1.44 1.25 -0.73 0.00 0.00 179.01 178.83 1vsy h LEU 1065N 0.49 0.83 -1.05 1.64 5.85 -1.15 -2.46 115.31 119.47 1vsy h LEU 1065Ca 0.11 -0.87 0.05 0.00 0.84 0.00 0.00 57.88 58.01 1vsy h LEU 1065Cb 0.32 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1vsy h LEU 1065CO 0.01 1.68 0.63 0.22 -0.34 0.00 0.00 178.44 180.64 1vsy h TYR 1066N 0.16 1.17 -0.26 1.25 5.03 -1.07 -1.66 116.97 121.59 1vsy h TYR 1066Ca -0.24 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.08 1vsy h TYR 1066Cb 2.13 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 40.01 1vsy h TYR 1066CO 0.12 0.64 0.09 1.15 -1.32 0.00 0.00 178.16 178.84 1vsy h THR 1067N 1.17 1.19 -0.21 1.81 2.02 -1.12 -0.02 112.91 117.75 1vsy h THR 1067Ca 0.41 -0.58 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1vsy h THR 1067Cb 0.11 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1vsy h THR 1067CO -0.15 0.19 -0.33 0.28 0.37 0.00 0.00 175.52 175.88 1vsy h SER 1068N 0.27 -1.06 0.00 4.18 0.02 -0.82 -2.72 113.55 113.41 1vsy h SER 1068Ca 0.09 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1vsy h SER 1068Cb 0.21 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1vsy h SER 1068CO -0.01 -0.35 -0.09 1.56 -1.14 0.00 0.00 176.83 176.80 1vsy h GLN 1069N -0.36 0.00 0.00 3.45 4.20 -1.43 -3.43 115.11 117.54 1vsy h GLN 1069Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1vsy h GLN 1069Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1vsy h GLN 1069CO -0.41 0.00 -1.25 0.66 -0.67 0.00 0.00 178.83 177.16 1vsy n TYR 1070N -3.89 0.33 0.00 2.96 4.01 -0.07 -5.08 117.16 115.42 1vsy n TYR 1070Ca -0.01 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1vsy n TYR 1070Cb 0.05 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 1vsy n TYR 1070CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vsy n GLY 1071N 1.31 0.10 3.73 2.72 0.00 -0.88 -5.00 105.19 107.17 1vsy n GLY 1071Ca 0.00 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1vsy n GLY 1071CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vsy s THR 1072N 0.00 4.36 -0.10 2.61 2.01 -1.26 -3.33 115.64 119.93 1vsy s THR 1072Ca 0.00 1.99 -0.20 0.00 0.31 0.00 0.00 61.69 63.78 1vsy s THR 1072Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1vsy s THR 1072CO 0.00 0.32 0.57 -2.16 -0.69 0.00 0.00 174.62 172.66 1vsy s PRO 1073N -0.11 4.37 0.69 4.92 0.05 -1.26 -5.04 135.00 138.62 1vsy s PRO 1073Ca 0.47 0.62 -0.17 0.00 0.05 0.00 0.00 61.00 61.97 1vsy s PRO 1073Cb -0.25 -3.45 0.01 0.00 0.05 0.00 0.00 34.50 30.87 1vsy s PRO 1073CO 0.31 0.11 1.26 -1.13 0.05 0.00 0.00 177.00 177.59 1vsy n SER 1074N 3.76 1.76 -0.25 6.66 3.41 -1.26 -4.87 113.62 122.84 1vsy n SER 1074Ca -0.05 0.77 0.03 0.00 -0.26 0.00 0.00 58.87 59.36 1vsy n SER 1074Cb 0.51 -1.54 0.26 0.00 -0.26 0.00 0.00 64.21 63.18 1vsy n SER 1074CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1vsy h THR 1075N 0.16 1.12 -0.99 6.66 2.02 -1.94 -0.41 112.91 119.54 1vsy h THR 1075Ca -0.50 -0.34 0.19 0.00 0.77 0.00 0.00 66.41 66.54 1vsy h THR 1075Cb 1.33 0.04 -0.10 0.00 -1.74 0.00 0.00 68.15 67.69 1vsy h THR 1075CO 0.51 0.18 0.61 -0.08 0.37 0.00 0.00 175.52 177.12 1vsy h GLU 1076N 0.99 0.65 -0.18 6.66 4.81 -1.98 -2.67 114.58 122.87 1vsy h GLU 1076Ca 0.33 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1vsy h GLU 1076Cb 0.05 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1vsy h GLU 1076CO -0.10 0.43 -0.16 1.15 -0.73 0.00 0.00 179.01 179.60 1vsy h THR 1077N 0.67 1.33 -0.59 0.32 2.02 -1.41 -2.03 112.91 113.23 1vsy h THR 1077Ca 0.55 -1.31 0.12 0.00 0.77 0.00 0.00 66.41 66.54 1vsy h THR 1077Cb 0.98 1.79 -0.11 0.00 -1.74 0.00 0.00 68.15 69.08 1vsy h THR 1077CO -0.32 0.39 -0.09 0.00 0.37 0.00 0.00 175.52 175.87 1vsy h ALA 1078N 0.64 0.46 -0.47 6.16 0.00 -1.32 -0.50 119.26 124.23 1vsy h ALA 1078Ca 0.03 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1vsy h ALA 1078Cb 0.69 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1vsy h ALA 1078CO 0.04 -0.42 0.23 0.00 0.00 0.00 0.00 179.25 179.10 1vsy h ALA 1079N 1.57 0.59 -0.75 0.00 0.00 -1.32 -1.76 119.26 117.59 1vsy h ALA 1079Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1vsy h ALA 1079Cb 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1vsy h ALA 1079CO -0.56 -0.13 0.48 1.03 0.00 0.00 0.00 179.25 180.07 1vsy h SER 1080N 0.45 0.87 -0.19 0.00 0.87 -0.40 0.75 113.55 115.91 1vsy h SER 1080Ca 0.21 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 1vsy h SER 1080Cb 0.13 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1vsy h SER 1080CO -0.15 0.65 -0.25 0.58 -0.53 0.00 0.00 176.83 177.13 1vsy h VAL 1081N 1.02 1.27 0.83 2.23 2.07 -0.72 -0.56 116.25 122.39 1vsy h VAL 1081Ca 0.27 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1vsy h VAL 1081Cb -0.09 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1vsy h VAL 1081CO -0.06 0.44 -0.40 -0.26 0.02 0.00 0.00 177.57 177.31 1vsy h PHE 1082N 0.57 -1.03 -0.74 1.57 0.04 -0.57 -2.80 116.94 113.97 1vsy h PHE 1082Ca 0.08 -0.02 0.17 0.00 2.80 0.00 0.00 57.97 60.99 1vsy h PHE 1082Cb 0.73 0.34 -0.12 0.00 2.20 0.00 0.00 35.95 39.10 1vsy h PHE 1082CO 0.03 -0.64 0.13 1.57 -0.60 0.00 0.00 178.31 178.80 1vsy h LYS 1083N -1.27 0.20 -0.58 1.51 2.10 -0.83 -0.15 116.57 117.55 1vsy h LYS 1083Ca -0.11 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.52 1vsy h LYS 1083Cb 0.86 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.12 1vsy h LYS 1083CO 0.19 0.14 0.33 1.49 -2.00 0.00 0.00 179.45 179.59 1vsy h GLU 1084N 0.21 0.79 -0.05 0.07 4.57 -1.08 0.11 114.58 119.21 1vsy h GLU 1084Ca 0.42 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1vsy h GLU 1084Cb 0.73 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1vsy h GLU 1084CO -0.56 0.57 -0.07 -0.07 -1.18 0.00 0.00 179.01 177.70 1vsy h LEU 1085N 0.81 0.14 -0.45 1.64 3.38 -0.80 -2.75 115.31 117.29 1vsy h LEU 1085Ca 0.21 -0.54 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 1vsy h LEU 1085Cb -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1vsy h LEU 1085CO -0.04 0.66 -0.21 0.00 0.09 0.00 0.00 178.44 178.94 1vsy h TYR 1087N 0.78 0.23 0.00 0.00 3.20 -0.92 -2.40 116.97 117.85 1vsy h TYR 1087Ca 0.10 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1vsy h TYR 1087Cb 0.79 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1vsy h TYR 1087CO 0.06 0.98 0.00 -1.91 -1.64 0.00 0.00 178.16 175.64 1vsy n GLU 1088N -4.50 0.24 -0.55 1.82 4.07 -1.03 -2.48 120.64 118.21 1vsy n GLU 1088Ca -0.10 0.12 0.05 0.00 -0.06 0.00 0.00 57.16 57.17 1vsy n GLU 1088Cb 0.52 -1.50 0.10 0.00 -0.06 0.00 0.00 31.44 30.50 1vsy n GLU 1088CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1vsy n ASN 1089N -1.30 1.36 -0.32 4.31 3.02 -1.03 -4.90 115.26 116.39 1vsy n ASN 1089Ca 0.08 -2.80 0.03 0.00 -0.03 0.00 0.00 54.58 51.87 1vsy n ASN 1089Cb 0.15 -0.37 0.18 0.00 -0.61 0.00 0.00 39.78 39.13 1vsy n ASN 1089CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1vsy h LYS 1090N 0.39 0.92 -0.28 3.52 2.10 -1.10 -2.50 116.57 119.62 1vsy h LYS 1090Ca -0.04 -0.06 0.08 0.00 -2.00 0.00 0.00 60.65 58.64 1vsy h LYS 1090Cb 1.26 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1vsy h LYS 1090CO 0.02 0.61 0.27 -0.44 -2.00 0.00 0.00 179.45 177.90 1vsy h ASP 1091N 0.95 0.00 0.00 7.07 3.45 -1.88 -2.89 116.42 123.12 1vsy h ASP 1091Ca 0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.88 1vsy h ASP 1091Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1vsy h ASP 1091CO -0.22 0.00 -0.02 0.59 -1.57 0.00 0.00 179.24 178.02 1vsy n ASN 1092N -3.96 2.18 -4.08 6.45 3.02 -0.95 -5.04 115.26 112.88 1vsy n ASN 1092Ca 0.04 -2.86 -0.15 0.00 -0.03 0.00 0.00 54.58 51.58 1vsy n ASN 1092Cb 0.42 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 1vsy n ASN 1092CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vsy s LEU 1093N -2.45 2.22 -0.46 3.41 1.43 -1.09 -5.08 118.68 116.66 1vsy s LEU 1093Ca 0.26 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1vsy s LEU 1093Cb 0.22 -0.29 0.15 0.00 0.03 0.00 0.00 46.19 46.30 1vsy s LEU 1093CO 0.02 -0.12 0.29 -0.89 0.23 0.00 0.00 176.35 175.88 1vsy s THR 1094N -1.16 1.17 -0.09 5.49 2.01 -1.26 -4.92 115.64 116.87 1vsy s THR 1094Ca -0.06 -2.69 -0.05 0.00 0.31 0.00 0.00 61.69 59.20 1vsy s THR 1094Cb -0.09 -1.81 0.04 0.00 0.01 0.00 0.00 72.50 70.65 1vsy s THR 1094CO 0.01 -1.00 0.22 0.00 -0.69 0.00 0.00 174.62 173.15 1vsy s ALA 1095N 0.14 -0.49 -0.18 7.40 0.00 -1.26 -1.76 121.76 125.61 1vsy s ALA 1095Ca 0.22 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1vsy s ALA 1095Cb -0.15 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1vsy s ALA 1095CO -0.07 -0.17 -0.20 0.20 0.00 0.00 0.00 175.76 175.52 1vsy s GLY 1096N 1.07 1.38 0.06 0.00 0.00 -0.73 -4.31 107.32 104.79 1vsy s GLY 1096Ca -0.08 -1.21 0.07 0.00 0.00 0.00 0.00 44.72 43.50 1vsy s GLY 1096CO -0.07 0.27 -0.18 -0.42 0.00 0.00 0.00 173.10 172.71 1vsy s ILE 1097N 1.28 1.45 -0.21 0.90 1.01 -0.02 -3.26 121.20 122.35 1vsy s ILE 1097Ca 0.05 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.44 1vsy s ILE 1097Cb -0.13 -1.31 0.03 0.00 0.01 0.00 0.00 42.46 41.06 1vsy s ILE 1097CO -0.12 0.01 -0.17 -0.63 0.00 0.00 0.00 174.94 174.03 1vsy s ILE 1098N -0.99 2.15 -0.18 2.92 1.01 -0.95 0.25 121.20 125.42 1vsy s ILE 1098Ca 0.04 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 1vsy s ILE 1098Cb -0.09 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1vsy s ILE 1098CO 0.02 0.36 0.15 -0.69 0.00 0.00 0.00 174.94 174.79 1vsy s VAL 1099N 1.24 5.41 -0.07 2.92 1.01 0.44 0.25 120.40 131.61 1vsy s VAL 1099Ca 0.01 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1vsy s VAL 1099Cb -0.15 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1vsy s VAL 1099CO -0.10 0.47 0.19 0.00 0.00 0.00 0.00 175.10 175.65 1vsy s ALA 1100N 0.13 -0.47 0.16 5.51 0.00 -0.11 -0.83 121.76 126.15 1vsy s ALA 1100Ca 0.10 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 1vsy s ALA 1100Cb -0.11 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.77 1vsy s ALA 1100CO -0.00 -0.09 0.88 0.20 0.00 0.00 0.00 175.76 176.74 1vsy s GLY 1101N 0.06 -0.25 -0.15 0.00 0.00 -1.06 -1.00 107.32 104.91 1vsy s GLY 1101Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1vsy s GLY 1101CO 0.00 0.03 -0.12 -0.47 0.00 0.00 0.00 173.10 172.55 1vsy s TYR 1102N -3.42 2.05 0.30 1.90 5.04 -0.67 -2.79 117.35 119.77 1vsy s TYR 1102Ca 0.10 -1.19 0.03 0.00 -2.44 0.00 0.00 57.07 53.57 1vsy s TYR 1102Cb -0.02 -1.52 0.03 0.00 0.35 0.00 0.00 41.96 40.80 1vsy s TYR 1102CO 0.01 -0.65 0.26 -0.40 -1.34 0.00 0.00 175.55 173.43 1vsy n ASP 1103N 4.80 1.83 0.02 4.32 3.85 -1.23 -4.83 116.55 125.31 1vsy n ASP 1103Ca -0.15 -2.01 -0.13 0.00 -0.71 0.00 0.00 54.79 51.79 1vsy n ASP 1103Cb 0.49 -0.06 -0.14 0.00 -1.35 0.00 0.00 41.12 40.07 1vsy n ASP 1103CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1vsy h ASP 1104N 0.31 0.19 0.09 -1.12 3.32 -2.00 -3.01 116.42 114.21 1vsy h ASP 1104Ca -0.18 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 1vsy h ASP 1104Cb 0.70 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1vsy h ASP 1104CO 0.29 1.29 -0.04 0.50 -1.72 0.00 0.00 179.24 179.55 1vsy h LYS 1105N 0.03 -0.11 0.00 3.56 3.11 -2.04 -3.35 116.57 117.76 1vsy h LYS 1105Ca -0.26 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.58 1vsy h LYS 1105Cb 1.99 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.25 1vsy h LYS 1105CO 0.11 -0.08 -0.58 -0.91 -2.81 0.00 0.00 179.45 175.19 1vsy h ASN 1106N -0.13 0.00 0.00 4.20 2.35 -2.01 -3.49 115.58 116.50 1vsy h ASN 1106Ca -0.01 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1vsy h ASN 1106Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1vsy h ASN 1106CO 0.02 0.05 0.00 0.29 -1.65 0.00 0.00 177.43 176.14 1vsy n LYS 1107N -2.46 0.00 -2.57 0.81 5.02 -1.14 -4.67 118.16 113.15 1vsy n LYS 1107Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 1vsy n LYS 1107Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.48 1vsy n LYS 1107CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1vsy s GLY 1108N 0.00 1.53 -0.04 0.72 0.00 -1.22 -3.49 107.32 104.81 1vsy s GLY 1108Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.79 1vsy s GLY 1108CO 0.00 2.36 -0.10 -0.54 0.00 0.00 0.00 173.10 174.82 1vsy s GLU 1109N 3.73 1.26 -0.04 2.90 2.02 -1.12 -4.92 118.70 122.54 1vsy s GLU 1109Ca 0.49 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1vsy s GLU 1109Cb -0.14 -1.12 0.03 0.00 0.10 0.00 0.00 34.13 32.99 1vsy s GLU 1109CO 0.17 0.07 -0.01 0.08 0.02 0.00 0.00 175.26 175.58 1vsy s VAL 1110N 0.45 0.29 -0.13 2.63 1.01 -1.23 -2.56 120.40 120.85 1vsy s VAL 1110Ca -0.08 0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1vsy s VAL 1110Cb -0.12 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.88 1vsy s VAL 1110CO 0.02 0.19 -0.20 -0.31 0.00 0.00 0.00 175.10 174.79 1vsy s TYR 1111N 1.23 2.47 -0.15 5.22 1.51 -0.01 -0.47 117.35 127.15 1vsy s TYR 1111Ca -0.07 -1.20 -0.04 0.00 -1.01 0.00 0.00 57.07 54.75 1vsy s TYR 1111Cb -0.13 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1vsy s TYR 1111CO -0.02 -0.55 -0.02 -0.08 -1.11 0.00 0.00 175.55 173.76 1vsy s THR 1112N 0.81 4.03 -0.46 -0.71 -1.32 -0.45 -0.42 115.64 117.13 1vsy s THR 1112Ca -0.08 -0.31 -0.01 0.00 -1.21 0.00 0.00 61.69 60.07 1vsy s THR 1112Cb -0.16 -2.77 0.12 0.00 -1.51 0.00 0.00 72.50 68.19 1vsy s THR 1112CO -0.01 0.50 0.24 -0.63 -2.21 0.00 0.00 174.62 172.51 1vsy s ILE 1113N 0.26 3.16 0.00 5.08 1.01 0.14 -1.83 121.20 129.02 1vsy s ILE 1113Ca -0.02 -2.41 0.00 0.00 0.00 0.00 0.00 60.65 58.22 1vsy s ILE 1113Cb -0.14 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1vsy s ILE 1113CO 0.02 -0.73 0.00 -0.81 0.00 0.00 0.00 174.94 173.43 1vsy n PRO 1114N 4.17 -1.32 -0.02 2.79 -0.04 -1.25 -0.84 135.00 138.49 1vsy n PRO 1114Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1vsy n PRO 1114Cb 0.40 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.76 1vsy n PRO 1114CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vsy h LEU 1115N 0.00 0.02 -0.82 1.53 4.07 -1.93 -3.24 115.31 114.93 1vsy h LEU 1115Ca 0.00 -0.55 0.13 0.00 0.08 0.00 0.00 57.88 57.55 1vsy h LEU 1115Cb 0.00 -0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.60 1vsy h LEU 1115CO 0.00 0.56 -0.30 0.61 -1.08 0.00 0.00 178.44 178.23 1vsy n GLY 1116N 0.39 -1.64 0.00 0.83 0.00 -1.26 -4.74 105.19 98.77 1vsy n GLY 1116Ca -0.09 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1vsy n GLY 1116CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsy n GLY 1117N -1.41 0.76 3.52 -0.02 0.00 -1.23 -4.48 105.19 102.34 1vsy n GLY 1117Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1vsy n GLY 1117CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsy n SER 1118N 0.00 -0.98 -3.92 1.61 3.41 -1.26 -4.52 113.62 107.97 1vsy n SER 1118Ca 0.00 0.21 -0.18 0.00 -0.26 0.00 0.00 58.87 58.64 1vsy n SER 1118Cb 0.00 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 62.48 1vsy n SER 1118CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1vsy s VAL 1119N -2.49 0.47 -0.10 -3.33 1.01 -1.26 -3.90 120.40 110.80 1vsy s VAL 1119Ca 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 1vsy s VAL 1119Cb -0.22 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1vsy s VAL 1119CO 0.63 0.18 -0.00 -1.00 0.00 0.00 0.00 175.10 174.90 1vsy s HIS 1120N 0.49 0.85 0.17 5.22 3.76 -0.76 -5.00 115.29 120.03 1vsy s HIS 1120Ca -0.06 -0.37 -0.28 0.00 -0.15 0.00 0.00 55.06 54.20 1vsy s HIS 1120Cb -0.10 -0.90 -0.08 0.00 1.11 0.00 0.00 32.58 32.61 1vsy s HIS 1120CO -0.00 -0.40 0.88 0.21 -0.85 0.00 0.00 174.74 174.57 1vsy s LYS 1121N 1.91 4.70 0.12 1.40 2.20 -1.26 -1.34 119.74 127.47 1vsy s LYS 1121Ca 0.04 1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 56.84 1vsy s LYS 1121Cb -0.13 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1vsy s LYS 1121CO -0.06 0.43 0.36 -0.51 -0.36 0.00 0.00 175.35 175.21 1vsy s LEU 1122N -0.76 0.62 0.23 5.43 1.43 0.38 -4.98 118.68 121.03 1vsy s LEU 1122Ca 0.41 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1vsy s LEU 1122Cb -0.24 1.66 0.23 0.00 0.03 0.00 0.00 46.19 47.87 1vsy s LEU 1122CO 0.29 -0.83 1.72 -0.65 0.23 0.00 0.00 176.35 177.11 1vsy h PRO 1123N 2.45 0.93 -3.39 1.29 0.11 -1.95 -3.27 132.00 128.16 1vsy h PRO 1123Ca -0.34 -0.26 -0.08 0.00 0.11 0.00 0.00 66.00 65.43 1vsy h PRO 1123Cb 1.24 -0.10 -0.16 0.00 0.11 0.00 0.00 31.00 32.10 1vsy h PRO 1123CO 0.49 0.90 -0.22 1.52 -0.21 0.00 0.00 178.00 180.47 1vsy s TYR 1124N -5.04 -0.09 -0.11 0.65 1.13 -1.26 -1.91 117.35 110.71 1vsy s TYR 1124Ca -0.10 -0.12 -0.09 0.00 -1.41 0.00 0.00 57.07 55.34 1vsy s TYR 1124Cb 0.14 0.11 0.03 0.00 -1.10 0.00 0.00 41.96 41.15 1vsy s TYR 1124CO 0.83 -0.56 0.29 0.00 -2.51 0.00 0.00 175.55 173.60 1vsy s ALA 1125N -3.02 -0.71 0.21 9.51 0.00 -0.51 -4.99 121.76 122.24 1vsy s ALA 1125Ca -0.02 0.88 0.09 0.00 0.00 0.00 0.00 51.96 52.91 1vsy s ALA 1125Cb 0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1vsy s ALA 1125CO -0.06 -0.15 -0.06 0.96 0.00 0.00 0.00 175.76 176.45 1vsy s ILE 1126N 0.36 3.34 0.00 0.00 -4.36 -1.26 -1.35 121.20 117.93 1vsy s ILE 1126Ca -0.02 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1vsy s ILE 1126Cb -0.03 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 40.98 1vsy s ILE 1126CO -0.01 -0.19 0.00 0.00 0.24 0.00 0.00 174.94 174.98 1vsy n ALA 1127N -0.26 0.00 -0.56 2.27 0.00 0.29 -4.98 120.51 117.26 1vsy n ALA 1127Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1vsy n ALA 1127Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1vsy n ALA 1127CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsy n GLY 1128N 0.00 -3.00 0.39 0.00 0.00 -1.26 -2.66 105.19 98.67 1vsy n GLY 1128Ca 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 1vsy n GLY 1128CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vsy h SER 1129N -0.43 -1.58 0.00 1.61 0.87 -1.73 -0.74 113.55 111.55 1vsy h SER 1129Ca -0.06 0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1vsy h SER 1129Cb 0.50 0.79 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1vsy h SER 1129CO 0.02 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 1vsy n GLY 1130N -1.43 0.32 0.17 5.77 0.00 -0.74 -3.74 105.19 105.55 1vsy n GLY 1130Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1vsy n GLY 1130CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vsy h SER 1131N 0.01 0.29 -1.17 1.61 4.64 -1.22 -3.28 113.55 114.43 1vsy h SER 1131Ca 0.00 -0.16 0.34 0.00 -0.47 0.00 0.00 61.79 61.49 1vsy h SER 1131Cb 0.26 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 1vsy h SER 1131CO 0.00 0.82 0.83 0.71 -0.87 0.00 0.00 176.83 178.32 1vsy h THR 1132N 0.19 0.41 -0.00 2.95 1.35 -1.79 -0.04 112.91 115.98 1vsy h THR 1132Ca -0.01 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1vsy h THR 1132Cb 1.10 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1vsy h THR 1132CO 0.09 0.02 -0.21 0.49 -0.25 0.00 0.00 175.52 175.66 1vsy n PHE 1133N -4.29 0.00 -0.12 4.73 3.72 -1.24 -3.83 117.46 116.44 1vsy n PHE 1133Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1vsy n PHE 1133Cb 1.19 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 1vsy n PHE 1133CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1vsy n ILE 1134N -1.11 0.64 -0.02 4.37 -5.35 -0.03 -4.49 119.36 113.37 1vsy n ILE 1134Ca 0.11 -0.76 0.14 0.00 -0.27 0.00 0.00 62.75 61.96 1vsy n ILE 1134Cb 0.31 0.71 0.57 0.00 -1.74 0.00 0.00 39.64 39.49 1vsy n ILE 1134CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1vsy h TYR 1135N 0.00 0.27 0.31 4.28 -1.99 -1.65 0.61 116.97 118.79 1vsy h TYR 1135Ca 0.00 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 1vsy h TYR 1135Cb 0.42 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1vsy h TYR 1135CO 0.00 0.13 -0.15 0.78 -0.00 0.00 0.00 178.16 178.92 1vsy h GLY 1136N 0.25 -0.43 0.84 3.88 0.00 -1.84 -2.88 103.07 102.89 1vsy h GLY 1136Ca 0.24 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.76 1vsy h GLY 1136CO -0.05 -0.16 0.37 -1.82 0.00 0.00 0.00 176.54 174.89 1vsy h TYR 1137N -0.97 0.70 0.26 5.60 3.20 -1.70 -3.07 116.97 120.99 1vsy h TYR 1137Ca -0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1vsy h TYR 1137Cb 0.50 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1vsy h TYR 1137CO 0.04 0.39 -0.12 0.00 -1.64 0.00 0.00 178.16 176.82 1vsy h ASP 1139N -0.64 0.00 0.34 0.00 3.58 -1.53 0.60 116.42 118.78 1vsy h ASP 1139Ca -0.04 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.09 1vsy h ASP 1139Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1vsy h ASP 1139CO 0.06 0.00 -1.61 0.11 -2.88 0.00 0.00 179.24 174.92 1vsy h LYS 1140N 0.00 0.33 -0.01 0.28 1.79 -1.44 -3.39 116.57 114.13 1vsy h LYS 1140Ca 0.23 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1vsy h LYS 1140Cb 0.94 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1vsy h LYS 1140CO -0.00 1.22 -0.43 0.09 -1.08 0.00 0.00 179.45 179.25 1vsy n ASN 1141N -3.53 1.75 -4.79 0.86 4.13 -0.42 -4.96 115.26 108.30 1vsy n ASN 1141Ca -0.19 -1.34 -0.36 0.00 1.68 0.00 0.00 54.58 54.36 1vsy n ASN 1141Cb 1.06 0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 39.63 1vsy n ASN 1141CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1vsy s PHE 1142N -2.49 3.66 0.02 3.10 5.36 0.12 -5.04 117.98 122.71 1vsy s PHE 1142Ca 0.20 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 1vsy s PHE 1142Cb 0.18 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 40.03 1vsy s PHE 1142CO 0.56 0.24 -0.03 1.03 -1.46 0.00 0.00 175.22 175.56 1vsy s ARG 1143N -2.08 0.32 0.64 10.12 0.52 -1.26 -5.02 118.95 122.19 1vsy s ARG 1143Ca 0.48 -0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 54.96 1vsy s ARG 1143Cb -0.17 0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 1vsy s ARG 1143CO 0.22 -0.04 1.06 -1.21 0.02 0.00 0.00 175.30 175.36 1vsy s GLU 1144N -1.41 3.13 -1.35 3.54 2.02 -1.26 -4.21 118.70 119.16 1vsy s GLU 1144Ca -0.15 1.09 -0.05 0.00 0.02 0.00 0.00 54.97 55.88 1vsy s GLU 1144Cb -0.10 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.15 1vsy s GLU 1144CO -0.01 -0.95 0.93 0.09 0.02 0.00 0.00 175.26 175.34 1vsy n ASN 1145N -2.54 -3.25 -4.85 -0.19 5.03 -1.26 -4.96 115.26 103.24 1vsy n ASN 1145Ca 0.08 -0.72 -0.30 0.00 0.87 0.00 0.00 54.58 54.51 1vsy n ASN 1145Cb 0.53 -4.41 0.05 0.00 -1.02 0.00 0.00 39.78 34.93 1vsy n ASN 1145CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1vsy s MET 1146N -6.08 2.76 0.72 3.52 -1.94 -1.26 -4.46 119.30 112.55 1vsy s MET 1146Ca 0.28 0.64 -0.12 0.00 -1.71 0.00 0.00 55.69 54.79 1vsy s MET 1146Cb -0.13 -2.00 0.02 0.00 2.01 0.00 0.00 34.83 34.73 1vsy s MET 1146CO 0.78 -1.14 1.11 -1.54 -0.01 0.00 0.00 175.02 174.22 1vsy s SER 1147N -4.11 5.36 0.11 3.03 1.04 -1.26 -2.62 113.70 115.25 1vsy s SER 1147Ca 0.58 1.10 -0.33 0.00 0.48 0.00 0.00 55.95 57.79 1vsy s SER 1147Cb -0.12 -1.87 -0.12 0.00 0.10 0.00 0.00 66.02 64.00 1vsy s SER 1147CO 0.53 -1.39 1.58 0.50 0.98 0.00 0.00 173.24 175.44 1vsy h LYS 1148N -0.69 -0.72 0.00 4.02 3.64 -2.00 -1.58 116.57 119.25 1vsy h LYS 1148Ca -0.45 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1vsy h LYS 1148Cb 1.26 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1vsy h LYS 1148CO 0.64 -0.48 0.00 1.05 -2.27 0.00 0.00 179.45 178.39 1vsy h GLU 1149N -0.74 0.00 -0.62 1.90 4.11 -1.99 -1.85 114.58 115.39 1vsy h GLU 1149Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1vsy h GLU 1149Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1vsy h GLU 1149CO -0.22 0.00 0.08 0.93 0.07 0.00 0.00 179.01 179.86 1vsy h GLU 1150N 0.00 1.02 0.04 1.06 5.08 -1.79 -2.63 114.58 117.37 1vsy h GLU 1150Ca 0.00 -0.27 -0.23 0.00 -1.00 0.00 0.00 59.36 57.85 1vsy h GLU 1150Cb 0.59 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1vsy h GLU 1150CO 0.00 0.95 -0.94 1.15 -1.00 0.00 0.00 179.01 179.18 1vsy h THR 1151N 0.95 1.35 -0.47 1.13 2.02 -0.60 -1.54 112.91 115.75 1vsy h THR 1151Ca 0.19 -2.27 0.08 0.00 0.77 0.00 0.00 66.41 65.17 1vsy h THR 1151Cb 0.45 2.60 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 1vsy h THR 1151CO 0.02 0.68 0.10 0.58 0.37 0.00 0.00 175.52 177.27 1vsy h VAL 1152N 0.14 0.75 -0.18 3.16 2.07 -1.41 -0.65 116.25 120.12 1vsy h VAL 1152Ca -0.13 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1vsy h VAL 1152Cb 1.63 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1vsy h VAL 1152CO 0.18 0.04 0.09 0.44 0.02 0.00 0.00 177.57 178.34 1vsy h ASP 1153N 0.24 0.24 -0.93 0.57 3.32 -1.45 0.88 116.42 119.29 1vsy h ASP 1153Ca 0.23 -0.13 0.16 0.00 0.02 0.00 0.00 57.03 57.32 1vsy h ASP 1153Cb 0.30 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 1vsy h ASP 1153CO -0.30 0.30 0.59 0.15 -1.72 0.00 0.00 179.24 178.27 1vsy h PHE 1154N 0.17 0.86 -0.01 4.55 3.57 -0.88 -0.96 116.94 124.24 1vsy h PHE 1154Ca 0.06 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1vsy h PHE 1154Cb 0.13 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.61 1vsy h PHE 1154CO -0.02 0.28 -0.63 0.82 -2.23 0.00 0.00 178.31 176.52 1vsy h ILE 1155N 0.69 1.41 -0.82 1.41 2.04 -0.68 -2.69 117.51 118.87 1vsy h ILE 1155Ca 0.49 -2.08 0.09 0.00 1.00 0.00 0.00 64.86 64.35 1vsy h ILE 1155Cb 0.82 2.56 -0.07 0.00 -0.74 0.00 0.00 36.82 39.39 1vsy h ILE 1155CO -0.24 0.61 0.47 0.50 0.00 0.00 0.00 178.15 179.49 1vsy h LYS 1156N -0.06 0.78 0.07 2.37 3.64 -0.09 -0.43 116.57 122.86 1vsy h LYS 1156Ca -0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1vsy h LYS 1156Cb 1.34 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1vsy h LYS 1156CO 0.12 0.52 -0.03 0.45 -2.27 0.00 0.00 179.45 178.24 1vsy h HIS 1157N 0.81 -0.09 -0.81 1.91 3.86 -1.28 -0.13 115.15 119.41 1vsy h HIS 1157Ca 0.39 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.73 1vsy h HIS 1157Cb 0.34 0.03 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 1vsy h HIS 1157CO -0.06 0.40 0.41 0.77 0.86 0.00 0.00 177.93 180.32 1vsy h SER 1158N -0.64 0.52 1.11 2.45 0.02 -1.22 -1.62 113.55 114.18 1vsy h SER 1158Ca -0.01 0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 1vsy h SER 1158Cb 0.54 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1vsy h SER 1158CO 0.02 0.25 -0.91 -0.07 -1.14 0.00 0.00 176.83 174.98 1vsy h LEU 1159N 0.63 0.00 -0.96 5.07 3.38 -1.13 -2.68 115.31 119.63 1vsy h LEU 1159Ca 0.42 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.47 1vsy h LEU 1159Cb 0.54 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1vsy h LEU 1159CO -0.33 0.81 0.61 0.77 0.09 0.00 0.00 178.44 180.39 1vsy h SER 1160N 0.00 0.96 0.43 -0.43 4.64 -0.11 -2.81 113.55 116.22 1vsy h SER 1160Ca -0.04 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1vsy h SER 1160Cb 1.65 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1vsy h SER 1160CO 0.10 0.59 -0.21 1.56 -0.87 0.00 0.00 176.83 178.01 1vsy h GLN 1161N 1.08 -0.55 -1.11 4.77 1.08 -1.28 -2.96 115.11 116.13 1vsy h GLN 1161Ca 0.42 0.04 0.41 0.00 -1.45 0.00 0.00 58.65 58.07 1vsy h GLN 1161Cb 0.22 0.13 -0.13 0.00 -0.05 0.00 0.00 27.48 27.64 1vsy h GLN 1161CO -0.19 -0.37 0.69 0.00 -0.95 0.00 0.00 178.83 178.01 1vsy n ALA 1162N -2.72 1.11 0.06 3.87 0.00 -1.02 -1.07 120.51 120.75 1vsy n ALA 1162Ca -0.07 0.81 -0.14 0.00 0.00 0.00 0.00 53.44 54.04 1vsy n ALA 1162Cb 0.23 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 1vsy n ALA 1162CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1vsy h ILE 1163N 0.00 1.27 -0.05 0.00 2.04 -1.54 -0.97 117.51 118.26 1vsy h ILE 1163Ca 0.77 -2.94 0.03 0.00 1.00 0.00 0.00 64.86 63.72 1vsy h ILE 1163Cb 2.35 2.76 -0.03 0.00 -0.74 0.00 0.00 36.82 41.15 1vsy h ILE 1163CO -0.49 0.82 -0.13 0.50 0.00 0.00 0.00 178.15 178.84 1vsy h LYS 1164N 0.05 -0.20 0.00 2.37 3.64 -0.92 -3.29 116.57 118.23 1vsy h LYS 1164Ca -0.19 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 1vsy h LYS 1164Cb 1.96 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.81 1vsy h LYS 1164CO 0.15 -0.13 -0.95 -1.49 -2.27 0.00 0.00 179.45 174.76 1vsy h TRP 1165N -0.20 0.00 -3.09 1.91 4.06 -1.41 -3.46 115.95 113.76 1vsy h TRP 1165Ca 0.06 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.36 1vsy h TRP 1165Cb 0.29 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.32 1vsy h TRP 1165CO -0.21 0.45 -0.55 0.34 -3.56 0.00 0.00 178.44 174.91 1vsy s ASP 1166N -6.01 5.76 0.16 -3.49 2.15 -0.37 -4.97 116.67 109.89 1vsy s ASP 1166Ca 0.00 0.23 0.22 0.00 0.43 0.00 0.00 52.55 53.43 1vsy s ASP 1166Cb 0.08 -1.84 -0.06 0.00 -0.30 0.00 0.00 42.92 40.81 1vsy s ASP 1166CO 0.78 0.32 0.94 0.61 -0.17 0.00 0.00 175.17 177.65 1vsy n GLY 1167N 2.56 -1.38 0.70 2.66 0.00 -1.26 -3.58 105.19 104.89 1vsy n GLY 1167Ca -0.18 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1vsy n GLY 1167CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vsy n SER 1168N -2.65 2.03 -4.06 1.61 7.64 -1.26 -4.84 113.62 112.09 1vsy n SER 1168Ca -0.02 -1.92 -0.12 0.00 1.01 0.00 0.00 58.87 57.82 1vsy n SER 1168Cb 0.59 -0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 63.46 1vsy n SER 1168CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vsy s SER 1169N -1.16 0.77 0.00 6.43 0.01 -1.23 -4.23 113.70 114.29 1vsy s SER 1169Ca 0.28 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1vsy s SER 1169Cb 0.15 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1vsy s SER 1169CO 0.20 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1vsy n GLY 1170N 1.33 0.02 4.32 3.44 0.00 -1.26 -4.79 105.19 108.26 1vsy n GLY 1170Ca -0.22 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1vsy n GLY 1170CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsy n GLY 1171N 0.00 0.22 3.95 -0.02 0.00 -1.26 -1.23 105.19 106.85 1vsy n GLY 1171Ca 0.00 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 1vsy n GLY 1171CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsy s VAL 1172N 0.00 3.56 -0.31 1.61 -7.23 -1.26 -4.60 120.40 112.17 1vsy s VAL 1172Ca 0.00 -0.49 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 1vsy s VAL 1172Cb 0.00 -3.33 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 1vsy s VAL 1172CO 0.00 -0.25 0.16 -0.63 -0.31 0.00 0.00 175.10 174.07 1vsy s ILE 1173N -2.67 4.64 -0.08 -0.62 1.01 -0.71 -3.13 121.20 119.65 1vsy s ILE 1173Ca 0.52 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1vsy s ILE 1173Cb -0.10 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1vsy s ILE 1173CO 0.39 0.06 0.27 -0.13 0.00 0.00 0.00 174.94 175.52 1vsy s ARG 1174N 1.62 3.76 0.19 2.79 0.52 -0.39 -1.18 118.95 126.26 1vsy s ARG 1174Ca 0.05 0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.43 1vsy s ARG 1174Cb -0.17 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 1vsy s ARG 1174CO 0.06 0.66 -0.11 -1.64 0.02 0.00 0.00 175.30 174.29 1vsy s MET 1175N -0.81 1.24 -0.09 3.54 -1.94 -0.71 -1.04 119.30 119.49 1vsy s MET 1175Ca 0.18 -1.55 -0.03 0.00 -1.71 0.00 0.00 55.69 52.58 1vsy s MET 1175Cb -0.14 -0.89 0.05 0.00 2.01 0.00 0.00 34.83 35.86 1vsy s MET 1175CO 0.07 0.11 0.15 0.08 -0.01 0.00 0.00 175.02 175.42 1vsy s VAL 1176N -3.15 -0.23 -0.24 -6.03 1.01 0.44 -0.60 120.40 111.61 1vsy s VAL 1176Ca 0.21 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 1vsy s VAL 1176Cb 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1vsy s VAL 1176CO 0.05 0.10 0.26 -0.69 0.00 0.00 0.00 175.10 174.81 1vsy s VAL 1177N 2.27 5.28 -0.38 2.92 1.01 0.33 -0.94 120.40 130.89 1vsy s VAL 1177Ca 0.04 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1vsy s VAL 1177Cb -0.13 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 32.75 1vsy s VAL 1177CO -0.06 0.29 0.15 -0.76 0.00 0.00 0.00 175.10 174.71 1vsy s LEU 1178N 1.32 4.86 0.00 3.92 1.02 -0.44 -2.05 118.68 127.31 1vsy s LEU 1178Ca 0.12 -1.78 0.04 0.00 0.02 0.00 0.00 54.13 52.53 1vsy s LEU 1178Cb -0.14 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1vsy s LEU 1178CO 0.07 -0.46 0.16 0.35 0.02 0.00 0.00 176.35 176.49 1vsy n THR 1179N 4.62 0.00 -0.36 5.49 -2.24 -1.03 -2.66 114.28 118.10 1vsy n THR 1179Ca -0.05 -2.21 -0.03 0.00 -2.27 0.00 0.00 64.05 59.49 1vsy n THR 1179Cb 0.42 0.86 0.10 0.00 -2.10 0.00 0.00 70.33 69.61 1vsy n THR 1179CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsy h ALA 1180N 1.70 1.21 0.00 6.98 0.00 -1.95 -2.46 119.26 124.74 1vsy h ALA 1180Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vsy h ALA 1180Cb 1.12 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vsy h ALA 1180CO 0.43 0.61 0.00 0.00 0.00 0.00 0.00 179.25 180.29 1vsy n ALA 1181N -2.37 2.09 0.00 0.00 0.00 -1.26 -4.97 120.51 114.00 1vsy n ALA 1181Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1vsy n ALA 1181Cb 0.01 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1vsy n ALA 1181CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsy n GLY 1182N 0.82 0.91 3.47 0.00 0.00 -0.93 -5.04 105.19 104.42 1vsy n GLY 1182Ca 0.07 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1vsy n GLY 1182CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsy s VAL 1183N -2.26 4.38 -0.17 1.61 1.01 -1.26 -2.45 120.40 121.25 1vsy s VAL 1183Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1vsy s VAL 1183Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1vsy s VAL 1183CO 0.00 0.35 -0.18 -0.70 0.00 0.00 0.00 175.10 174.56 1vsy s GLU 1184N 1.50 2.78 -0.11 2.72 2.12 -0.87 -4.99 118.70 121.86 1vsy s GLU 1184Ca 0.06 -0.75 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 1vsy s GLU 1184Cb -0.15 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 1vsy s GLU 1184CO 0.04 -0.21 0.46 1.03 -0.54 0.00 0.00 175.26 176.04 1vsy s ARG 1185N 1.32 4.30 0.18 4.30 0.52 -1.26 -0.52 118.95 127.79 1vsy s ARG 1185Ca 0.04 0.43 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 1vsy s ARG 1185Cb -0.13 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1vsy s ARG 1185CO -0.12 0.22 -0.04 -0.51 0.02 0.00 0.00 175.30 174.88 1vsy s LEU 1186N 0.42 3.17 -0.13 2.53 1.43 0.23 -4.98 118.68 121.36 1vsy s LEU 1186Ca 0.25 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 1vsy s LEU 1186Cb -0.15 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.29 1vsy s LEU 1186CO 0.10 0.09 0.31 -0.51 0.23 0.00 0.00 176.35 176.57 1vsy s ILE 1187N -1.76 -0.02 -0.06 -0.59 2.07 -1.26 -1.73 121.20 117.84 1vsy s ILE 1187Ca 0.27 0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.63 1vsy s ILE 1187Cb -0.09 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 42.04 1vsy s ILE 1187CO 0.17 0.04 -0.18 -0.36 -1.91 0.00 0.00 174.94 172.70 1vsy s PHE 1188N 0.97 1.88 0.44 3.50 0.08 -0.32 -5.01 117.98 119.52 1vsy s PHE 1188Ca -0.07 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.36 1vsy s PHE 1188Cb -0.07 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 41.09 1vsy s PHE 1188CO -0.07 -0.25 0.65 0.71 -0.10 0.00 0.00 175.22 176.16 1vsy s TYR 1189N 0.24 3.18 0.20 0.36 2.02 -1.26 -1.73 117.35 120.36 1vsy s TYR 1189Ca -0.09 0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.65 1vsy s TYR 1189Cb -0.14 -2.30 0.17 0.00 -0.40 0.00 0.00 41.96 39.29 1vsy s TYR 1189CO 0.04 -0.34 1.84 -1.35 -1.57 0.00 0.00 175.55 174.17 1vsy h PRO 1190N 0.45 0.80 0.00 -1.71 0.11 -1.98 -1.45 132.00 128.21 1vsy h PRO 1190Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1vsy h PRO 1190Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1vsy h PRO 1190CO 0.56 0.53 0.27 -0.25 -0.21 0.00 0.00 178.00 178.91 1vsy n ASP 1191N -4.68 0.35 -0.11 -2.05 9.92 -1.26 -2.65 116.55 116.07 1vsy n ASP 1191Ca 0.07 0.57 -0.22 0.00 -0.53 0.00 0.00 54.79 54.67 1vsy n ASP 1191Cb 0.08 -0.53 -0.07 0.00 -0.64 0.00 0.00 41.12 39.96 1vsy n ASP 1191CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1vsy n GLU 1192N -2.06 0.46 0.14 -1.24 2.13 -0.58 -4.50 120.64 114.99 1vsy n GLU 1192Ca -0.01 0.20 0.13 0.00 0.66 0.00 0.00 57.16 58.14 1vsy n GLU 1192Cb 0.29 -1.27 0.37 0.00 0.27 0.00 0.00 31.44 31.10 1vsy n GLU 1192CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 1vsy h TYR 1193N -0.78 0.00 0.08 4.31 -0.00 -1.33 -3.18 116.97 116.07 1vsy h TYR 1193Ca -0.52 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 57.96 1vsy h TYR 1193Cb 1.44 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.17 1vsy h TYR 1193CO -0.08 0.00 -1.11 0.93 -0.00 0.00 0.00 178.16 177.89 1vsy h GLU 1194N 0.00 0.26 -1.74 0.10 5.08 -1.77 -3.32 114.58 113.18 1vsy h GLU 1194Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1vsy h GLU 1194Cb 0.76 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1vsy h GLU 1194CO 0.00 1.14 0.00 0.94 -1.00 0.00 0.00 179.01 180.09 1vsy n GLN 1195N -3.57 0.90 0.00 2.33 -0.06 -1.20 -5.14 117.38 110.64 1vsy n GLN 1195Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.93 1vsy n GLN 1195Cb 0.95 -1.05 0.00 0.00 -4.06 0.00 0.00 30.24 26.08 1vsy n GLN 1195CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14