#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2igq s ARG 977 N 0.00 4.74 -0.47 5.31 1.70 -0.83 -4.83 118.95 124.57 2igq s ARG 977 Ca 0.00 1.52 -0.26 0.00 -0.47 0.00 0.00 55.73 56.52 2igq s ARG 977 Cb 0.00 -3.32 0.03 0.00 -0.57 0.00 0.00 34.95 31.09 2igq s ARG 977 CO 0.00 0.31 0.97 0.42 -1.08 0.00 0.00 175.30 175.92 2igq s ILE 978 N -0.54 4.41 -0.63 4.99 1.01 -1.26 -0.81 121.20 128.37 2igq s ILE 978 Ca 0.45 0.84 0.22 0.00 0.00 0.00 0.00 60.65 62.16 2igq s ILE 978 Cb -0.26 -4.47 -0.22 0.00 0.01 0.00 0.00 42.46 37.52 2igq s ILE 978 CO 0.32 -0.88 0.84 1.33 0.00 0.00 0.00 174.94 176.55 2igq n VAL 979 N 6.52 0.05 -3.69 2.92 0.24 0.79 -4.90 118.33 120.26 2igq n VAL 979 Ca 0.07 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 2igq n VAL 979 Cb 0.49 0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 33.25 2igq n VAL 979 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2igq s SER 980 N -3.68 -0.59 0.37 -1.34 0.15 -0.88 -4.54 113.70 103.20 2igq s SER 980 Ca 0.03 1.08 0.20 0.00 0.70 0.00 0.00 55.95 57.96 2igq s SER 980 Cb 0.15 1.05 0.41 0.00 -1.71 0.00 0.00 66.02 65.91 2igq s SER 980 CO 0.86 -0.19 1.61 0.03 1.20 0.00 0.00 173.24 176.74 2igq h ARG 981 N 5.92 0.00 -0.57 5.44 3.08 -1.89 0.13 114.38 126.49 2igq h ARG 981 Ca -0.30 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.90 2igq h ARG 981 Cb 1.18 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.03 2igq h ARG 981 CO 0.20 0.28 -0.13 0.34 -1.07 0.00 0.00 179.97 179.59 2igq s ASP 982 N -6.29 -0.90 0.45 7.04 2.15 -1.25 -3.69 116.67 114.19 2igq s ASP 982 Ca 0.04 0.21 0.31 0.00 0.43 0.00 0.00 52.55 53.54 2igq s ASP 982 Cb 0.08 1.61 1.57 0.00 -0.30 0.00 0.00 42.92 45.87 2igq s ASP 982 CO 0.69 -0.16 1.94 0.16 -0.17 0.00 0.00 175.17 177.63 2igq h ILE 983 N 5.25 0.00 0.00 4.11 3.07 -1.14 -2.70 117.51 126.10 2igq h ILE 983 Ca -0.09 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2igq h ILE 983 Cb 1.18 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2igq h ILE 983 CO 0.01 0.00 -0.65 0.00 -1.05 0.00 0.00 178.15 176.46 2igq n ALA 984 N -1.92 3.30 -3.65 0.16 0.00 -1.26 -4.79 120.51 112.36 2igq n ALA 984 Ca -0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 2igq n ALA 984 Cb 0.12 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.52 2igq n ALA 984 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2igq n ARG 985 N -1.81 -5.97 -0.97 0.00 1.74 -1.02 -1.75 116.66 106.88 2igq n ARG 985 Ca 0.04 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 2igq n ARG 985 Cb 0.39 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 2igq n ARG 985 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2igq n GLY 986 N -1.54 0.61 0.02 -0.13 0.00 -1.26 -4.93 105.19 97.97 2igq n GLY 986 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2igq n GLY 986 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2igq n TYR 987 N -2.48 0.18 -3.57 1.61 4.02 -0.72 -4.81 117.16 111.39 2igq n TYR 987 Ca 0.00 0.05 -0.21 0.00 -0.01 0.00 0.00 57.90 57.74 2igq n TYR 987 Cb 0.04 -0.57 -0.03 0.00 -0.02 0.00 0.00 39.34 38.76 2igq n TYR 987 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2igq s GLU 988 N -3.02 2.59 0.42 -0.72 0.41 -1.26 -4.92 118.70 112.20 2igq s GLU 988 Ca 0.13 -1.47 0.16 0.00 -0.41 0.00 0.00 54.97 53.38 2igq s GLU 988 Cb 0.18 -2.42 0.90 0.00 -1.78 0.00 0.00 34.13 31.01 2igq s GLU 988 CO 0.56 -0.14 1.91 -0.09 -0.49 0.00 0.00 175.26 177.00 2igq h ARG 989 N 1.04 0.00 -5.91 1.61 2.43 -1.88 -3.43 114.38 108.25 2igq h ARG 989 Ca -0.42 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.23 2igq h ARG 989 Cb 1.26 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.65 2igq h ARG 989 CO 0.57 0.28 -0.77 0.96 -1.51 0.00 0.00 179.97 179.50 2igq s ILE 990 N -4.29 1.92 0.54 1.20 -5.25 -1.26 -5.14 121.20 108.92 2igq s ILE 990 Ca -0.03 -2.08 -0.17 0.00 -0.99 0.00 0.00 60.65 57.38 2igq s ILE 990 Cb 0.14 -1.98 -0.06 0.00 2.95 0.00 0.00 42.46 43.51 2igq s ILE 990 CO 0.70 -0.39 1.03 -2.16 -1.79 0.00 0.00 174.94 172.33 2igq s PRO 991 N -3.13 3.61 -0.51 0.37 0.04 -1.26 -4.93 135.00 129.19 2igq s PRO 991 Ca 0.20 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.46 2igq s PRO 991 Cb -0.04 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.55 2igq s PRO 991 CO 0.08 -0.57 0.27 0.42 0.04 0.00 0.00 177.00 177.24 2igq s ILE 992 N -2.33 2.84 0.73 0.56 1.01 -1.26 -4.67 121.20 118.08 2igq s ILE 992 Ca 0.64 -3.04 -0.13 0.00 0.00 0.00 0.00 60.65 58.12 2igq s ILE 992 Cb -0.15 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.41 2igq s ILE 992 CO 0.30 -0.78 1.13 -2.84 0.00 0.00 0.00 174.94 172.74 2igq s PRO 993 N 0.00 2.33 -0.18 2.79 0.02 -1.24 -0.59 135.00 138.14 2igq s PRO 993 Ca 0.16 1.43 -0.01 0.00 0.02 0.00 0.00 61.00 62.60 2igq s PRO 993 Cb -0.23 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2igq s PRO 993 CO -0.02 -1.62 -0.14 0.00 -0.33 0.00 0.00 177.00 174.89 2igq s VAL 995 N 1.10 2.49 -0.21 0.00 -7.23 -0.45 -0.15 120.40 115.95 2igq s VAL 995 Ca 0.00 -2.30 -0.04 0.00 -1.81 0.00 0.00 61.98 57.83 2igq s VAL 995 Cb -0.14 -2.45 0.10 0.00 0.56 0.00 0.00 36.38 34.45 2igq s VAL 995 CO -0.04 -0.34 0.25 0.21 -0.31 0.00 0.00 175.10 174.88 2igq s ASN 996 N -3.56 1.15 -0.09 4.85 3.84 0.01 -2.74 114.94 118.40 2igq s ASN 996 Ca 0.31 -0.14 0.15 0.00 0.21 0.00 0.00 52.86 53.39 2igq s ASN 996 Cb -0.03 0.53 0.52 0.00 -0.55 0.00 0.00 41.25 41.73 2igq s ASN 996 CO 0.16 -0.32 1.44 0.00 -2.79 0.00 0.00 177.10 175.59 2igq n ALA 997 N 5.33 2.74 -0.01 1.71 0.00 -1.26 -1.97 120.51 127.05 2igq n ALA 997 Ca -0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 53.44 51.71 2igq n ALA 997 Cb 0.50 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 2igq n ALA 997 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2igq n VAL 998 N 0.43 0.11 -2.50 0.00 0.31 -1.26 -4.85 118.33 110.56 2igq n VAL 998 Ca 0.20 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2igq n VAL 998 Cb 0.73 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 2igq n VAL 998 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2igq n ASP 999 N -2.92 0.00 -0.85 4.52 5.68 -1.26 -5.06 116.55 116.66 2igq n ASP 999 Ca -0.04 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.33 2igq n ASP 999 Cb 0.53 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.75 2igq n ASP 999 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2igq n SER 1000N 0.00 3.73 -4.71 -1.12 3.41 -1.26 -4.98 113.62 108.69 2igq n SER 1000Ca 0.00 -2.86 -0.42 0.00 -0.26 0.00 0.00 58.87 55.33 2igq n SER 1000Cb 0.00 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 2igq n SER 1000CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2igq s GLU 1001N -2.54 4.30 0.88 4.33 0.41 -1.26 -5.03 118.70 119.78 2igq s GLU 1001Ca 0.39 2.12 -0.14 0.00 -0.41 0.00 0.00 54.97 56.93 2igq s GLU 1001Cb 0.31 -3.26 0.13 0.00 -1.78 0.00 0.00 34.13 29.53 2igq s GLU 1001CO 0.10 -0.48 1.24 -1.25 -0.49 0.00 0.00 175.26 174.38 2igq s PRO 1002N 1.20 1.35 0.12 0.39 0.04 -1.26 -4.95 135.00 131.90 2igq s PRO 1002Ca 0.66 -0.11 -0.35 0.00 0.04 0.00 0.00 61.00 61.23 2igq s PRO 1002Cb -0.38 -1.90 -0.16 0.00 0.04 0.00 0.00 34.50 32.10 2igq s PRO 1002CO 0.30 -1.98 1.37 0.00 0.04 0.00 0.00 177.00 176.73 2igq n PRO 1004N 2.58 2.51 -0.11 0.00 -0.02 -1.26 -4.91 135.00 133.79 2igq n PRO 1004Ca 0.17 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2igq n PRO 1004Cb 0.22 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 2igq n PRO 1004CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2igq n SER 1005N 2.61 0.09 -1.17 2.55 3.41 -1.26 -4.83 113.62 115.02 2igq n SER 1005Ca 0.11 -1.28 -0.01 0.00 -0.26 0.00 0.00 58.87 57.43 2igq n SER 1005Cb 0.34 -0.05 0.13 0.00 -0.26 0.00 0.00 64.21 64.37 2igq n SER 1005CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2igq n ASN 1006N -0.03 2.95 -3.85 4.04 6.94 -1.26 -4.86 115.26 119.18 2igq n ASN 1006Ca 0.00 -2.43 -0.09 0.00 -0.02 0.00 0.00 54.58 52.04 2igq n ASN 1006Cb 0.54 -0.59 -0.06 0.00 -2.36 0.00 0.00 39.78 37.31 2igq n ASN 1006CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2igq s TYR 1007N -1.53 0.17 -0.27 -2.53 -0.85 -1.26 -4.81 117.35 106.27 2igq s TYR 1007Ca 0.21 -0.54 -0.11 0.00 -0.52 0.00 0.00 57.07 56.11 2igq s TYR 1007Cb 0.16 0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.50 2igq s TYR 1007CO 0.05 -0.69 0.18 0.21 -1.52 0.00 0.00 175.55 173.78 2igq s LYS 1008N -3.90 3.93 0.01 -3.49 2.47 -0.29 -5.01 119.74 113.47 2igq s LYS 1008Ca 0.10 -0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 53.88 2igq s LYS 1008Cb 0.03 -3.62 -0.07 0.00 -1.46 0.00 0.00 37.83 32.71 2igq s LYS 1008CO -0.05 -0.16 1.74 -0.47 0.16 0.00 0.00 175.35 176.57 2igq s TYR 1009N 1.68 1.94 -0.05 4.03 5.04 -1.26 -2.38 117.35 126.34 2igq s TYR 1009Ca 0.07 0.06 0.03 0.00 -2.44 0.00 0.00 57.07 54.79 2igq s TYR 1009Cb -0.16 -4.02 0.00 0.00 0.35 0.00 0.00 41.96 38.13 2igq s TYR 1009CO 0.10 -4.33 -0.14 0.14 -1.34 0.00 0.00 175.55 169.97 2igq s VAL 1010N 3.69 1.25 -0.67 3.14 -7.23 -0.27 -4.92 120.40 115.39 2igq s VAL 1010Ca 0.78 -0.59 0.25 0.00 -1.81 0.00 0.00 61.98 60.61 2igq s VAL 1010Cb -0.38 -1.10 0.30 0.00 0.56 0.00 0.00 36.38 35.76 2igq s VAL 1010CO 0.34 0.37 1.74 0.77 -0.31 0.00 0.00 175.10 178.01 2igq h SER 1011N 6.56 0.00 -4.64 4.85 4.64 -1.91 -3.15 113.55 119.90 2igq h SER 1011Ca -0.31 -0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.70 2igq h SER 1011Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 2igq h SER 1011CO 0.48 0.00 -0.74 -1.10 -0.87 0.00 0.00 176.83 174.60 2igq s GLN 1012N -3.12 0.65 0.50 4.77 -0.21 -1.26 -4.98 119.66 116.01 2igq s GLN 1012Ca 0.10 -0.89 -0.22 0.00 0.02 0.00 0.00 55.36 54.37 2igq s GLN 1012Cb 0.11 -0.44 -0.08 0.00 1.00 0.00 0.00 33.01 33.60 2igq s GLN 1012CO 0.61 0.08 1.05 0.09 -2.12 0.00 0.00 175.29 175.01 2igq n ASN 1013N 1.22 1.36 -4.28 5.90 5.03 -1.26 -4.73 115.26 118.50 2igq n ASN 1013Ca -0.21 0.95 -0.15 0.00 0.87 0.00 0.00 54.58 56.04 2igq n ASN 1013Cb 0.55 -1.40 -0.10 0.00 -1.02 0.00 0.00 39.78 37.81 2igq n ASN 1013CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2igq s VAL 1015N -3.67 1.92 0.00 0.00 -7.23 -1.26 -0.70 120.40 109.47 2igq s VAL 1015Ca 0.30 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2igq s VAL 1015Cb 0.07 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.82 2igq s VAL 1015CO 0.08 -0.49 0.00 1.07 -0.31 0.00 0.00 175.10 175.45 2igq n THR 1016N -0.48 0.00 -1.93 5.32 5.66 -1.26 -5.00 114.28 116.59 2igq n THR 1016Ca -0.07 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.56 2igq n THR 1016Cb 0.61 -0.10 0.04 0.00 -1.55 0.00 0.00 70.33 69.32 2igq n THR 1016CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2igq s SER 1017N 0.42 5.16 0.36 1.09 1.04 -1.26 -4.90 113.70 115.61 2igq s SER 1017Ca 0.00 2.51 -0.28 0.00 0.48 0.00 0.00 55.95 58.66 2igq s SER 1017Cb 0.00 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.40 2igq s SER 1017CO 0.00 -1.62 1.47 -2.16 0.98 0.00 0.00 173.24 171.91 2igq s PRO 1018N -3.19 4.15 -0.23 4.02 0.04 -1.26 -5.01 135.00 133.52 2igq s PRO 1018Ca 0.76 2.52 0.02 0.00 0.04 0.00 0.00 61.00 64.34 2igq s PRO 1018Cb -0.34 -2.99 0.04 0.00 0.04 0.00 0.00 34.50 31.26 2igq s PRO 1018CO 0.38 -0.49 -0.14 -1.64 0.04 0.00 0.00 177.00 175.14 2igq s MET 1019N -1.93 2.57 -0.26 4.56 -1.94 -1.26 -5.03 119.30 116.01 2igq s MET 1019Ca 0.53 -1.13 -0.06 0.00 -1.71 0.00 0.00 55.69 53.33 2igq s MET 1019Cb -0.46 -2.76 -0.19 0.00 2.01 0.00 0.00 34.83 33.43 2igq s MET 1019CO 0.61 -0.42 2.97 0.27 -0.01 0.00 0.00 175.02 178.44 2igq n ASN 1020N 4.52 4.85 -4.63 3.03 6.94 -1.26 -4.93 115.26 123.78 2igq n ASN 1020Ca -0.17 -2.33 -0.50 0.00 -0.02 0.00 0.00 54.58 51.56 2igq n ASN 1020Cb 0.45 -1.20 -0.05 0.00 -2.36 0.00 0.00 39.78 36.62 2igq n ASN 1020CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2igq n ILE 1021N 2.83 0.02 -2.06 1.53 5.41 -1.26 -4.89 119.36 120.93 2igq n ILE 1021Ca 0.41 -0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.74 2igq n ILE 1021Cb 0.64 -1.13 -0.03 0.00 -0.71 0.00 0.00 39.64 38.42 2igq n ILE 1021CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2igq s ASP 1022N 0.79 5.71 -0.01 4.38 2.15 -1.26 -4.83 116.67 123.60 2igq s ASP 1022Ca 0.83 0.86 0.09 0.00 0.43 0.00 0.00 52.55 54.76 2igq s ASP 1022Cb -0.84 -2.53 0.26 0.00 -0.30 0.00 0.00 42.92 39.51 2igq s ASP 1022CO 0.44 -1.93 1.22 0.54 -0.17 0.00 0.00 175.17 175.27 2igq n ARG 1023N 8.67 2.89 -1.53 4.34 1.74 -1.26 -4.55 116.66 126.95 2igq n ARG 1023Ca 0.21 -1.99 -0.46 0.00 -0.77 0.00 0.00 57.85 54.84 2igq n ARG 1023Cb 0.49 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 2igq n ARG 1023CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2igq n ASN 1024N 0.28 2.79 0.17 0.55 2.85 -1.26 -4.85 115.26 115.79 2igq n ASN 1024Ca 0.10 0.31 0.14 0.00 -0.11 0.00 0.00 54.58 55.01 2igq n ASN 1024Cb 0.42 -1.43 0.70 0.00 1.24 0.00 0.00 39.78 40.71 2igq n ASN 1024CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2igq h ILE 1025N 7.09 0.81 0.00 -1.44 2.10 -1.97 0.52 117.51 124.62 2igq h ILE 1025Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2igq h ILE 1025Cb 1.28 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 2igq h ILE 1025CO 0.98 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 178.40 2igq n THR 1026N -4.35 0.49 0.79 2.19 -2.24 -1.26 -2.84 114.28 107.06 2igq n THR 1026Ca 0.02 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 2igq n THR 1026Cb 0.28 -0.79 0.30 0.00 -2.10 0.00 0.00 70.33 68.02 2igq n THR 1026CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2igq n HIS 1027N -1.36 0.32 -2.34 4.78 8.25 0.17 -4.89 115.22 120.16 2igq n HIS 1027Ca 0.08 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.22 2igq n HIS 1027Cb 0.18 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 2igq n HIS 1027CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2igq s LEU 1028N -3.64 4.43 0.26 2.41 1.43 -1.13 -4.96 118.68 117.48 2igq s LEU 1028Ca 0.10 2.25 -0.21 0.00 -1.03 0.00 0.00 54.13 55.23 2igq s LEU 1028Cb 0.16 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 2igq s LEU 1028CO 0.67 -0.42 0.79 -1.58 0.23 0.00 0.00 176.35 176.04 2igq s GLN 1029N -0.06 4.34 0.21 1.70 2.00 -1.26 -5.08 119.66 121.52 2igq s GLN 1029Ca 0.54 1.00 -0.16 0.00 -2.00 0.00 0.00 55.36 54.75 2igq s GLN 1029Cb -0.33 -2.84 0.02 0.00 0.80 0.00 0.00 33.01 30.65 2igq s GLN 1029CO 0.36 0.35 0.51 1.52 -0.50 0.00 0.00 175.29 177.53 2igq s TYR 1030N -1.57 0.03 0.34 1.67 -0.85 -1.26 -4.94 117.35 110.78 2igq s TYR 1030Ca 0.45 -0.39 0.07 0.00 -0.52 0.00 0.00 57.07 56.68 2igq s TYR 1030Cb -0.17 0.33 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 2igq s TYR 1030CO 0.22 -0.95 0.39 0.00 -1.52 0.00 0.00 175.55 173.69 2igq n VAL 1032N -1.53 1.71 -1.76 0.00 0.24 -1.26 -1.36 118.33 114.37 2igq n VAL 1032Ca -0.00 -2.11 -0.40 0.00 -2.04 0.00 0.00 64.34 59.79 2igq n VAL 1032Cb 0.59 -0.16 0.02 0.00 -1.47 0.00 0.00 33.84 32.83 2igq n VAL 1032CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2igq n ILE 1034N -0.34 0.00 -1.41 0.00 -5.35 -1.26 -3.87 119.36 107.13 2igq n ILE 1034Ca 0.06 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2igq n ILE 1034Cb 0.42 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 2igq n ILE 1034CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2igq n ASP 1035N 0.36 0.05 -1.88 7.28 5.75 -1.26 -5.02 116.55 121.84 2igq n ASP 1035Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.76 2igq n ASP 1035Cb 0.34 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.66 2igq n ASP 1035CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2igq n ASP 1036N 0.00 4.14 -2.89 -1.12 5.75 -1.26 -4.72 116.55 116.45 2igq n ASP 1036Ca 0.00 -3.11 -0.22 0.00 -0.01 0.00 0.00 54.79 51.45 2igq n ASP 1036Cb 0.00 -0.73 0.02 0.00 -1.03 0.00 0.00 41.12 39.38 2igq n ASP 1036CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2igq n SER 1038N -2.38 3.49 -4.87 0.00 3.41 -1.26 -4.61 113.62 107.41 2igq n SER 1038Ca -0.14 -1.98 -0.26 0.00 -0.26 0.00 0.00 58.87 56.23 2igq n SER 1038Cb 0.63 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 2igq n SER 1038CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2igq s SER 1039N -1.32 5.89 0.00 4.04 1.04 -1.26 -4.99 113.70 117.09 2igq s SER 1039Ca 0.41 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.90 2igq s SER 1039Cb 0.23 -1.65 0.29 0.00 0.10 0.00 0.00 66.02 65.00 2igq s SER 1039CO 0.32 0.05 1.16 -1.54 0.98 0.00 0.00 173.24 174.21 2igq n SER 1040N -0.54 0.00 0.22 7.02 3.41 -1.26 -2.17 113.62 120.31 2igq n SER 1040Ca -0.08 0.41 0.15 0.00 -0.26 0.00 0.00 58.87 59.08 2igq n SER 1040Cb 0.55 -0.44 0.47 0.00 -0.26 0.00 0.00 64.21 64.53 2igq n SER 1040CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2igq h ASN 1041N 0.00 0.00 -2.28 4.04 2.35 -1.98 -3.45 115.58 114.25 2igq h ASN 1041Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 2igq h ASN 1041Cb 0.10 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.48 2igq h ASN 1041CO 0.00 0.00 1.30 0.00 -1.65 0.00 0.00 177.43 177.08 2igq h MET 1043N 11.92 0.85 -0.38 0.00 4.05 -1.87 -1.52 114.93 127.97 2igq h MET 1043Ca -0.46 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 58.78 2igq h MET 1043Cb 1.23 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.83 2igq h MET 1043CO 0.95 0.56 -0.27 0.00 0.23 0.00 0.00 176.91 178.38 2igq h GLY 1045N 0.94 1.16 0.96 0.00 0.00 -1.67 -2.66 103.07 101.79 2igq h GLY 1045Ca 0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 2igq h GLY 1045CO 0.07 0.63 0.16 1.46 0.00 0.00 0.00 176.54 178.86 2igq h GLN 1046N 1.02 0.69 -0.87 4.80 4.20 -0.74 -1.47 115.11 122.74 2igq h GLN 1046Ca 0.23 -0.14 0.17 0.00 0.06 0.00 0.00 58.65 58.96 2igq h GLN 1046Cb 0.28 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 2igq h GLN 1046CO -0.01 0.65 0.57 -0.07 -0.67 0.00 0.00 178.83 179.30 2igq h LEU 1047N 0.59 0.53 -0.52 1.46 3.38 -0.82 0.81 115.31 120.75 2igq h LEU 1047Ca 0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2igq h LEU 1047Cb 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2igq h LEU 1047CO -0.01 0.25 0.00 -1.20 0.09 0.00 0.00 178.44 177.57 2igq n SER 1048N -4.54 0.79 0.00 -0.43 7.64 -0.79 -4.79 113.62 111.50 2igq n SER 1048Ca 0.18 -1.46 0.00 0.00 1.01 0.00 0.00 58.87 58.60 2igq n SER 1048Cb 0.56 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2igq n SER 1048CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2igq n MET 1049N -0.30 0.00 -4.09 1.43 2.81 0.28 -4.80 117.12 112.44 2igq n MET 1049Ca 0.17 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.96 2igq n MET 1049Cb 0.21 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.64 2igq n MET 1049CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2igq s ARG 1050N 0.00 1.29 -0.01 0.03 1.04 -0.62 -4.41 118.95 116.27 2igq s ARG 1050Ca 0.00 -1.41 -0.30 0.00 -1.04 0.00 0.00 55.73 52.98 2igq s ARG 1050Cb 0.00 0.35 -0.05 0.00 -2.04 0.00 0.00 34.95 33.21 2igq s ARG 1050CO 0.00 -0.47 1.42 0.00 -0.04 0.00 0.00 175.30 176.21 2igq n TRP 1052N 5.52 0.07 -3.72 0.00 7.02 -1.26 -4.91 117.44 120.14 2igq n TRP 1052Ca 0.13 -0.03 -0.36 0.00 -1.02 0.00 0.00 57.50 56.23 2igq n TRP 1052Cb 0.43 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.25 2igq n TRP 1052CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2igq s TYR 1053N -1.93 3.46 1.11 -5.99 2.02 -1.26 -0.34 117.35 114.41 2igq s TYR 1053Ca 0.37 0.42 -0.18 0.00 -0.37 0.00 0.00 57.07 57.30 2igq s TYR 1053Cb 0.20 -2.15 0.26 0.00 -0.40 0.00 0.00 41.96 39.86 2igq s TYR 1053CO 0.31 0.37 1.24 0.16 -1.57 0.00 0.00 175.55 176.06 2igq s ASP 1054N 0.11 1.81 0.59 2.29 1.47 0.91 -4.90 116.67 118.94 2igq s ASP 1054Ca 0.11 0.34 0.34 0.00 1.18 0.00 0.00 52.55 54.53 2igq s ASP 1054Cb -0.12 -0.40 1.82 0.00 -0.34 0.00 0.00 42.92 43.88 2igq s ASP 1054CO 0.00 -3.55 2.19 0.07 0.68 0.00 0.00 175.17 174.56 2igq h LYS 1055N -2.20 0.00 -0.39 2.11 2.10 -1.93 -2.07 116.57 114.20 2igq h LYS 1055Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2igq h LYS 1055Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2igq h LYS 1055CO 0.32 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.56 2igq n ASP 1056N -3.41 2.10 -0.20 7.07 8.00 -1.26 -4.94 116.55 123.92 2igq n ASP 1056Ca -0.02 -1.99 -0.03 0.00 0.71 0.00 0.00 54.79 53.47 2igq n ASP 1056Cb 0.17 -0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 2igq n ASP 1056CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2igq n GLY 1057N 1.13 0.59 3.90 0.44 0.00 -0.78 -5.03 105.19 105.44 2igq n GLY 1057Ca 0.13 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2igq n GLY 1057CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2igq s ARG 1058N -1.79 3.50 0.32 1.61 0.52 -1.26 -4.55 118.95 117.29 2igq s ARG 1058Ca 0.00 -0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 2igq s ARG 1058Cb 0.00 -3.07 -0.12 0.00 0.52 0.00 0.00 34.95 32.28 2igq s ARG 1058CO 0.00 0.65 1.56 1.28 0.02 0.00 0.00 175.30 178.81 2igq n LEU 1059N 0.93 4.44 -4.74 2.53 4.77 0.37 -0.06 117.00 125.24 2igq n LEU 1059Ca -0.10 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.68 2igq n LEU 1059Cb 0.53 -1.60 0.05 0.00 -2.33 0.00 0.00 43.42 40.07 2igq n LEU 1059CO 0.43 0.14 0.89 -0.76 -1.33 0.00 0.00 177.39 176.76 2igq s LEU 1060N -0.89 3.64 0.40 2.23 1.43 0.54 -4.72 118.68 121.31 2igq s LEU 1060Ca 0.61 2.55 0.17 0.00 -1.03 0.00 0.00 54.13 56.43 2igq s LEU 1060Cb -0.49 -4.57 1.05 0.00 0.03 0.00 0.00 46.19 42.21 2igq s LEU 1060CO 0.53 -1.80 1.81 -0.65 0.23 0.00 0.00 176.35 176.48 2igq h PRO 1061N 0.78 0.43 0.00 1.29 0.11 -1.94 -0.84 132.00 131.84 2igq h PRO 1061Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2igq h PRO 1061Cb 1.32 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2igq h PRO 1061CO 0.54 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 2igq n GLU 1062N -4.57 0.34 -1.79 1.05 0.00 -1.26 -4.84 120.64 109.56 2igq n GLU 1062Ca 0.22 0.09 -0.42 0.00 0.00 0.00 0.00 57.16 57.05 2igq n GLU 1062Cb 0.75 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.67 2igq n GLU 1062CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2igq s PHE 1063N -2.47 2.94 -0.82 -1.84 5.36 -0.32 -4.92 117.98 115.90 2igq s PHE 1063Ca 0.20 0.47 -0.24 0.00 -0.96 0.00 0.00 56.93 56.40 2igq s PHE 1063Cb 0.13 -4.07 0.06 0.00 -0.34 0.00 0.00 43.02 38.80 2igq s PHE 1063CO 0.28 -4.00 1.23 1.21 -1.46 0.00 0.00 175.22 172.48 2igq s ASN 1064N 1.10 6.32 0.35 6.13 3.84 -1.26 -4.84 114.94 126.57 2igq s ASN 1064Ca 0.72 -1.09 0.11 0.00 0.21 0.00 0.00 52.86 52.82 2igq s ASN 1064Cb -0.48 -2.51 0.65 0.00 -0.55 0.00 0.00 41.25 38.36 2igq s ASN 1064CO 0.33 -1.54 1.79 0.24 -2.79 0.00 0.00 177.10 175.13 2igq h MET 1065N 9.68 0.06 -0.00 0.43 2.86 -1.95 -2.45 114.93 123.56 2igq h MET 1065Ca -0.09 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 2igq h MET 1065Cb 1.04 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2igq h MET 1065CO 1.27 0.44 -0.70 0.00 1.06 0.00 0.00 176.91 178.97 2igq h ALA 1066N 1.56 0.84 -1.72 6.32 0.00 -2.02 -3.39 119.26 120.86 2igq h ALA 1066Ca 0.00 -0.64 -0.46 0.00 0.00 0.00 0.00 54.91 53.82 2igq h ALA 1066Cb 0.70 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.07 2igq h ALA 1066CO 0.05 0.88 -0.87 -1.91 0.00 0.00 0.00 179.25 177.40 2igq n GLU 1067N -3.70 0.47 -2.13 0.00 2.13 -1.16 -5.13 120.64 111.11 2igq n GLU 1067Ca -0.01 -2.80 -0.38 0.00 0.66 0.00 0.00 57.16 54.63 2igq n GLU 1067Cb 0.69 -1.48 -0.00 0.00 0.27 0.00 0.00 31.44 30.92 2igq n GLU 1067CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2igq s PRO 1068N -0.06 3.84 0.82 5.31 0.02 -0.93 -4.75 135.00 139.24 2igq s PRO 1068Ca 0.33 1.99 -0.12 0.00 0.02 0.00 0.00 61.00 63.22 2igq s PRO 1068Cb 0.09 -2.59 0.08 0.00 0.02 0.00 0.00 34.50 32.11 2igq s PRO 1068CO -0.15 -0.55 1.13 -1.25 -0.33 0.00 0.00 177.00 175.84 2igq s PRO 1069N -2.45 1.89 0.21 5.54 0.04 -1.26 -4.96 135.00 134.02 2igq s PRO 1069Ca 0.60 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 2igq s PRO 1069Cb -0.34 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 2igq s PRO 1069CO 0.43 -1.70 1.13 -0.51 0.04 0.00 0.00 177.00 176.38 2igq s LEU 1070N -5.75 4.50 -0.21 -3.56 1.43 -1.26 -4.49 118.68 109.34 2igq s LEU 1070Ca 0.61 2.18 -0.08 0.00 -1.03 0.00 0.00 54.13 55.82 2igq s LEU 1070Cb -0.13 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2igq s LEU 1070CO 0.52 -0.24 0.09 -0.63 0.23 0.00 0.00 176.35 176.32 2igq s ILE 1071N -0.45 4.89 -0.40 -0.59 1.01 -0.75 -4.52 121.20 120.38 2igq s ILE 1071Ca 0.49 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 2igq s ILE 1071Cb -0.31 -3.23 0.06 0.00 0.01 0.00 0.00 42.46 38.99 2igq s ILE 1071CO 0.37 0.41 0.24 -0.36 0.00 0.00 0.00 174.94 175.61 2igq s PHE 1072N 0.72 3.31 0.57 3.97 0.08 -1.26 -1.36 117.98 124.00 2igq s PHE 1072Ca 0.05 -1.36 -0.15 0.00 0.12 0.00 0.00 56.93 55.58 2igq s PHE 1072Cb -0.13 -2.79 -0.05 0.00 -0.57 0.00 0.00 43.02 39.47 2igq s PHE 1072CO 0.02 -0.79 1.02 -1.21 -0.10 0.00 0.00 175.22 174.15 2igq s GLU 1073N 1.46 3.64 0.76 0.44 2.02 -0.67 -4.53 118.70 121.83 2igq s GLU 1073Ca 0.02 0.99 -0.14 0.00 0.02 0.00 0.00 54.97 55.86 2igq s GLU 1073Cb -0.22 -2.09 0.06 0.00 0.10 0.00 0.00 34.13 31.98 2igq s GLU 1073CO 0.03 -0.53 1.20 0.00 0.02 0.00 0.00 175.26 175.98 2igq n ASN 1075N -3.00 0.03 0.10 0.00 0.23 -1.26 -4.88 115.26 106.48 2igq n ASN 1075Ca 0.13 -2.41 0.12 0.00 -0.53 0.00 0.00 54.58 51.90 2igq n ASN 1075Cb 0.50 0.95 0.45 0.00 -2.08 0.00 0.00 39.78 39.61 2igq n ASN 1075CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2igq n HIS 1076N -0.46 0.74 0.22 -2.53 1.44 -1.26 -2.14 115.22 111.22 2igq n HIS 1076Ca 0.02 0.25 0.11 0.00 -2.01 0.00 0.00 57.72 56.10 2igq n HIS 1076Cb 0.39 -0.91 0.26 0.00 0.12 0.00 0.00 29.99 29.85 2igq n HIS 1076CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2igq h ALA 1077N 2.44 0.95 -2.44 1.59 0.00 -1.95 -3.47 119.26 116.37 2igq h ALA 1077Ca 0.00 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.31 2igq h ALA 1077Cb 0.51 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.38 2igq h ALA 1077CO 0.00 0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.76 2igq h SER 1079N 0.14 0.00 -4.01 0.00 0.02 -1.50 -3.47 113.55 104.73 2igq h SER 1079Ca -0.47 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.03 2igq h SER 1079Cb 1.24 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.93 2igq h SER 1079CO 0.55 0.00 0.26 0.00 -1.14 0.00 0.00 176.83 176.49 2igq s TRP 1081N -3.22 3.46 -0.41 0.00 0.52 -1.26 -4.98 118.94 113.05 2igq s TRP 1081Ca 0.66 0.78 0.25 0.00 0.02 0.00 0.00 56.10 57.81 2igq s TRP 1081Cb -0.14 -2.46 1.03 0.00 -1.15 0.00 0.00 33.47 30.75 2igq s TRP 1081CO 0.55 -0.48 1.74 -0.09 0.02 0.00 0.00 176.95 178.69 2igq h ARG 1082N 0.07 0.00 -0.61 4.98 9.65 -1.98 -2.10 114.38 124.39 2igq h ARG 1082Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2igq h ARG 1082Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2igq h ARG 1082CO 0.61 0.00 0.00 0.27 2.80 0.00 0.00 179.97 183.65 2igq n ASN 1083N -2.34 5.39 -4.67 -3.80 2.04 -1.26 -4.98 115.26 105.64 2igq n ASN 1083Ca 0.02 -2.79 -0.30 0.00 -0.44 0.00 0.00 54.58 51.07 2igq n ASN 1083Cb 0.24 -0.66 0.16 0.00 -2.53 0.00 0.00 39.78 36.99 2igq n ASN 1083CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2igq h ARG 1085N -1.79 0.83 -1.84 0.00 2.43 -1.31 -3.28 114.38 109.43 2igq h ARG 1085Ca -0.51 -0.05 -0.39 0.00 -0.81 0.00 0.00 59.98 58.22 2igq h ARG 1085Cb 1.29 -0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 30.51 2igq h ARG 1085CO 0.52 0.55 0.30 -1.71 -1.51 0.00 0.00 179.97 178.12 2igq n ASN 1086N -4.55 6.30 -3.46 -3.80 5.15 -1.26 -4.74 115.26 108.88 2igq n ASN 1086Ca 0.16 -3.05 -0.17 0.00 -0.60 0.00 0.00 54.58 50.92 2igq n ASN 1086Cb 0.36 -1.19 -0.12 0.00 -0.53 0.00 0.00 39.78 38.30 2igq n ASN 1086CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2igq s ARG 1087N -1.38 0.23 0.16 1.20 0.52 -1.24 -1.83 118.95 116.61 2igq s ARG 1087Ca 0.49 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 2igq s ARG 1087Cb 0.32 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.76 2igq s ARG 1087CO -0.12 -0.73 0.00 0.28 0.02 0.00 0.00 175.30 174.75 2igq n VAL 1088N 5.32 0.18 -0.27 3.52 0.31 -1.26 -4.83 118.33 121.30 2igq n VAL 1088Ca -0.05 0.06 -0.03 0.00 -0.01 0.00 0.00 64.34 64.31 2igq n VAL 1088Cb 0.49 -0.56 0.14 0.00 -0.91 0.00 0.00 33.84 33.00 2igq n VAL 1088CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2igq h VAL 1089N 0.00 1.24 0.00 2.52 2.07 -1.95 -1.50 116.25 118.63 2igq h VAL 1089Ca 0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2igq h VAL 1089Cb 0.00 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2igq h VAL 1089CO 0.00 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.87 2igq n GLN 1090N -4.33 0.08 0.02 1.57 10.64 -1.26 -0.86 117.38 123.24 2igq n GLN 1090Ca 0.08 0.50 0.12 0.00 -1.83 0.00 0.00 57.00 55.87 2igq n GLN 1090Cb 0.12 -1.71 0.27 0.00 -0.86 0.00 0.00 30.24 28.05 2igq n GLN 1090CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2igq n ASN 1091N -1.87 0.50 0.00 2.61 3.02 -0.56 -5.06 115.26 113.90 2igq n ASN 1091Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2igq n ASN 1091Cb 0.07 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2igq n ASN 1091CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2igq n GLY 1092N 1.45 -2.36 3.73 7.41 0.00 -0.04 -4.92 105.19 110.47 2igq n GLY 1092Ca 0.05 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2igq n GLY 1092CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2igq s LEU 1093N 0.00 4.39 0.00 0.99 0.20 -1.26 -4.93 118.68 118.07 2igq s LEU 1093Ca 0.00 2.51 0.00 0.00 0.69 0.00 0.00 54.13 57.33 2igq s LEU 1093Cb 0.00 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.15 2igq s LEU 1093CO 0.00 -0.65 0.00 0.54 -0.29 0.00 0.00 176.35 175.95 2igq n ARG 1094N 2.91 3.16 -2.30 1.98 1.74 -1.26 -4.38 116.66 118.52 2igq n ARG 1094Ca 0.08 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 2igq n ARG 1094Cb 0.41 -0.90 -0.01 0.00 -1.02 0.00 0.00 32.46 30.94 2igq n ARG 1094CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2igq s ALA 1095N -1.80 3.01 -0.53 7.54 0.00 -1.26 -4.89 121.76 123.82 2igq s ALA 1095Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 2igq s ALA 1095Cb 0.00 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.78 2igq s ALA 1095CO 0.00 -0.59 1.19 1.03 0.00 0.00 0.00 175.76 177.39 2igq s ARG 1096N -2.64 3.59 0.34 0.00 0.52 -1.26 -4.97 118.95 114.54 2igq s ARG 1096Ca 0.62 0.42 0.09 0.00 -0.52 0.00 0.00 55.73 56.35 2igq s ARG 1096Cb -0.28 -3.98 -0.06 0.00 0.52 0.00 0.00 34.95 31.15 2igq s ARG 1096CO 0.34 -1.57 -0.07 -0.51 0.02 0.00 0.00 175.30 173.52 2igq s LEU 1097N 4.83 2.80 -0.14 2.53 1.43 -1.26 -0.59 118.68 128.27 2igq s LEU 1097Ca 0.46 -1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.35 2igq s LEU 1097Cb -0.08 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.11 2igq s LEU 1097CO 0.29 -0.22 0.32 -1.58 0.23 0.00 0.00 176.35 175.39 2igq s GLN 1098N -3.64 0.28 0.16 1.70 0.74 -0.24 -4.18 119.66 114.48 2igq s GLN 1098Ca 0.33 0.69 -0.30 0.00 0.05 0.00 0.00 55.36 56.13 2igq s GLN 1098Cb 0.02 -0.04 -0.07 0.00 1.10 0.00 0.00 33.01 34.02 2igq s GLN 1098CO 0.17 -0.18 1.09 -1.17 -0.55 0.00 0.00 175.29 174.65 2igq s LEU 1099N 1.55 4.47 0.06 3.68 2.96 -0.15 -1.60 118.68 129.66 2igq s LEU 1099Ca -0.08 2.05 -0.12 0.00 -0.22 0.00 0.00 54.13 55.76 2igq s LEU 1099Cb -0.10 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.01 2igq s LEU 1099CO -0.10 -0.23 0.27 -0.72 -1.32 0.00 0.00 176.35 174.25 2igq s TYR 1100N -0.06 -0.03 -0.12 5.38 -0.85 -0.33 -1.34 117.35 120.01 2igq s TYR 1100Ca 0.50 -0.21 -0.26 0.00 -0.52 0.00 0.00 57.07 56.58 2igq s TYR 1100Cb -0.29 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 2igq s TYR 1100CO 0.34 -0.53 0.87 0.50 -1.52 0.00 0.00 175.55 175.20 2igq s ARG 1101N -3.04 4.38 0.61 -3.49 6.06 -1.11 -0.57 118.95 121.80 2igq s ARG 1101Ca -0.02 1.12 -0.05 0.00 -2.50 0.00 0.00 55.73 54.29 2igq s ARG 1101Cb 0.01 -3.53 0.03 0.00 0.06 0.00 0.00 34.95 31.51 2igq s ARG 1101CO -0.06 -0.23 0.91 0.95 -2.50 0.00 0.00 175.30 174.36 2igq s THR 1102N 1.79 3.15 0.24 4.11 -4.23 0.43 -4.67 115.64 116.46 2igq s THR 1102Ca 0.42 -0.18 0.12 0.00 -1.18 0.00 0.00 61.69 60.87 2igq s THR 1102Cb -0.18 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 2igq s THR 1102CO 0.16 -0.27 1.62 0.08 -0.54 0.00 0.00 174.62 175.67 2igq h ARG 1103N -0.25 0.00 0.00 3.99 0.11 -1.98 -3.42 114.38 112.83 2igq h ARG 1103Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2igq h ARG 1103Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2igq h ARG 1103CO 0.60 0.59 -0.69 -0.25 0.10 0.00 0.00 179.97 180.32 2igq n ASP 1104N -3.73 3.43 -2.04 0.08 8.00 -1.26 -4.87 116.55 116.15 2igq n ASP 1104Ca -0.01 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.42 2igq n ASP 1104Cb 0.61 0.64 0.06 0.00 -0.02 0.00 0.00 41.12 42.41 2igq n ASP 1104CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2igq n MET 1105N -1.10 2.11 0.00 -1.24 0.00 -1.26 -5.06 117.12 110.56 2igq n MET 1105Ca 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 57.70 54.21 2igq n MET 1105Cb 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 31.66 2igq n MET 1105CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2igq n GLY 1106N -0.55 0.75 3.79 3.17 0.00 -1.26 -4.73 105.19 106.36 2igq n GLY 1106Ca 0.21 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 2igq n GLY 1106CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2igq s TRP 1107N 0.00 3.34 0.32 1.61 0.52 -1.26 -0.43 118.94 123.04 2igq s TRP 1107Ca 0.00 1.66 0.05 0.00 0.02 0.00 0.00 56.10 57.83 2igq s TRP 1107Cb 0.00 -3.00 -0.03 0.00 -1.15 0.00 0.00 33.47 29.28 2igq s TRP 1107CO 0.00 -0.33 0.20 0.20 0.02 0.00 0.00 176.95 177.04 2igq s GLY 1108N -1.78 2.19 -0.03 0.98 0.00 0.27 -4.75 107.32 104.19 2igq s GLY 1108Ca 0.58 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 43.56 2igq s GLY 1108CO 0.22 -1.55 -0.23 0.14 0.00 0.00 0.00 173.10 171.67 2igq s VAL 1109N -3.54 1.87 0.18 1.40 1.01 -1.25 -1.18 120.40 118.88 2igq s VAL 1109Ca 0.36 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2igq s VAL 1109Cb 0.04 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2igq s VAL 1109CO 0.21 0.53 -0.13 0.00 0.00 0.00 0.00 175.10 175.70 2igq s ARG 1110N -0.35 1.22 0.01 2.72 1.70 -0.63 -0.49 118.95 123.13 2igq s ARG 1110Ca 0.03 -1.52 -0.23 0.00 -0.47 0.00 0.00 55.73 53.54 2igq s ARG 1110Cb -0.11 -0.94 -0.05 0.00 -0.57 0.00 0.00 34.95 33.28 2igq s ARG 1110CO 0.01 0.15 0.68 0.45 -1.08 0.00 0.00 175.30 175.51 2igq s SER 1111N -3.21 7.07 0.00 -2.89 0.15 -0.86 -1.08 113.70 112.88 2igq s SER 1111Ca 0.20 1.28 0.28 0.00 0.70 0.00 0.00 55.95 58.41 2igq s SER 1111Cb 0.00 -2.41 1.16 0.00 -1.71 0.00 0.00 66.02 63.06 2igq s SER 1111CO 0.04 0.03 1.84 0.18 1.20 0.00 0.00 173.24 176.54 2igq n LEU 1112N 2.91 0.25 -4.22 3.45 4.77 0.24 -0.16 117.00 124.25 2igq n LEU 1112Ca -0.04 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 2igq n LEU 1112Cb 0.51 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2igq n LEU 1112CO 0.45 0.05 -0.31 0.00 -1.33 0.00 0.00 177.39 176.25 2igq s GLN 1113N -2.74 1.08 0.21 3.23 -2.07 -1.26 -4.53 119.66 113.59 2igq s GLN 1113Ca 0.21 -1.52 -0.30 0.00 -1.82 0.00 0.00 55.36 51.93 2igq s GLN 1113Cb 0.19 -0.12 -0.09 0.00 -1.09 0.00 0.00 33.01 31.90 2igq s GLN 1113CO 0.53 -0.18 1.39 -0.51 -1.32 0.00 0.00 175.29 175.19 2igq s ASP 1114N -3.15 6.77 -0.23 12.60 1.01 -1.26 -3.41 116.67 129.00 2igq s ASP 1114Ca 0.25 2.52 -0.00 0.00 0.71 0.00 0.00 52.55 56.03 2igq s ASP 1114Cb 0.07 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.41 2igq s ASP 1114CO 0.04 -0.63 -0.10 -0.63 0.21 0.00 0.00 175.17 174.06 2igq s ILE 1115N 0.19 2.59 0.77 0.77 1.01 0.48 -4.93 121.20 122.07 2igq s ILE 1115Ca 0.59 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 2igq s ILE 1115Cb -0.39 -2.28 0.05 0.00 0.01 0.00 0.00 42.46 39.85 2igq s ILE 1115CO 0.39 0.27 1.16 -2.65 0.00 0.00 0.00 174.94 174.11 2igq n PRO 1116N 4.63 0.41 -1.56 2.79 -0.02 -1.26 -0.44 135.00 139.54 2igq n PRO 1116Ca -0.17 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 2igq n PRO 1116Cb 0.47 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.57 2igq n PRO 1116CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2igq n PRO 1117N -2.73 1.01 -1.29 0.52 -0.02 -1.24 -3.18 135.00 128.07 2igq n PRO 1117Ca 0.14 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 2igq n PRO 1117Cb 0.50 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 2igq n PRO 1117CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2igq n GLY 1118N 1.40 1.14 3.79 -1.23 0.00 -0.07 -4.68 105.19 105.54 2igq n GLY 1118Ca 0.11 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2igq n GLY 1118CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2igq s THR 1119N -2.37 4.93 -0.04 2.61 2.01 -1.19 -0.48 115.64 121.11 2igq s THR 1119Ca 0.00 1.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.80 2igq s THR 1119Cb 0.00 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2igq s THR 1119CO 0.00 0.48 1.70 0.12 -0.69 0.00 0.00 174.62 176.24 2igq s PHE 1120N -0.56 1.88 -0.22 4.92 5.36 -1.26 -0.74 117.98 127.36 2igq s PHE 1120Ca 0.28 0.09 -0.17 0.00 -0.96 0.00 0.00 56.93 56.18 2igq s PHE 1120Cb -0.18 -3.97 -0.08 0.00 -0.34 0.00 0.00 43.02 38.45 2igq s PHE 1120CO 0.16 -4.13 -0.35 0.28 -1.46 0.00 0.00 175.22 169.72 2igq n VAL 1121N 5.46 1.51 -3.66 3.12 0.31 0.01 -4.72 118.33 120.36 2igq n VAL 1121Ca 0.18 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.38 2igq n VAL 1121Cb 0.42 -2.18 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 2igq n VAL 1121CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2igq s GLU 1123N -3.56 3.16 -0.67 0.00 2.12 -1.26 -0.87 118.70 117.61 2igq s GLU 1123Ca 0.08 -0.37 -0.27 0.00 0.36 0.00 0.00 54.97 54.77 2igq s GLU 1123Cb -0.03 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.44 2igq s GLU 1123CO -0.02 0.70 1.52 -0.47 -0.54 0.00 0.00 175.26 176.44 2igq s TYR 1124N -1.08 2.04 -0.14 5.30 5.04 0.10 -4.56 117.35 124.06 2igq s TYR 1124Ca 0.19 0.33 -0.03 0.00 -2.44 0.00 0.00 57.07 55.11 2igq s TYR 1124Cb -0.12 -4.40 -0.03 0.00 0.35 0.00 0.00 41.96 37.77 2igq s TYR 1124CO 0.09 -2.16 -0.03 0.08 -1.34 0.00 0.00 175.55 172.18 2igq s VAL 1125N 7.05 3.96 0.00 3.14 1.01 -1.26 -4.57 120.40 129.73 2igq s VAL 1125Ca 0.49 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2igq s VAL 1125Cb -0.10 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2igq s VAL 1125CO 0.18 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2igq n GLY 1126N 3.27 2.52 3.63 4.51 0.00 -1.26 -2.68 105.19 115.18 2igq n GLY 1126Ca -0.17 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2igq n GLY 1126CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2igq s GLU 1127N 2.05 4.08 -0.30 1.61 2.12 -0.36 -0.83 118.70 127.06 2igq s GLU 1127Ca 0.00 0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.76 2igq s GLU 1127Cb 0.00 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2igq s GLU 1127CO 0.00 -0.56 1.31 -1.17 -0.54 0.00 0.00 175.26 174.30 2igq s LEU 1128N 2.81 3.87 0.18 2.70 2.96 0.13 -0.58 118.68 130.74 2igq s LEU 1128Ca 0.32 1.20 0.05 0.00 -0.22 0.00 0.00 54.13 55.48 2igq s LEU 1128Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2igq s LEU 1128CO 0.10 -1.10 -0.10 0.27 -1.32 0.00 0.00 176.35 174.20 2igq s ILE 1129N 4.42 1.32 0.58 6.68 -4.36 -0.09 -4.56 121.20 125.19 2igq s ILE 1129Ca 0.57 -2.10 -0.14 0.00 -0.26 0.00 0.00 60.65 58.71 2igq s ILE 1129Cb -0.17 -1.99 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 2igq s ILE 1129CO 0.24 -0.63 1.02 -0.94 0.24 0.00 0.00 174.94 174.86 2igq s SER 1130N -3.24 6.25 0.34 4.36 1.04 -1.26 -0.85 113.70 120.34 2igq s SER 1130Ca 0.20 1.57 0.06 0.00 0.48 0.00 0.00 55.95 58.27 2igq s SER 1130Cb 0.02 -2.50 0.74 0.00 0.10 0.00 0.00 66.02 64.38 2igq s SER 1130CO 0.04 -0.85 1.90 -2.24 0.98 0.00 0.00 173.24 173.07 2igq h ASP 1131N 0.33 0.71 -0.26 7.02 2.03 -1.46 -0.82 116.42 123.97 2igq h ASP 1131Ca -0.46 0.02 0.01 0.00 -0.73 0.00 0.00 57.03 55.88 2igq h ASP 1131Cb 1.19 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.55 2igq h ASP 1131CO 0.60 0.41 0.15 0.28 -1.03 0.00 0.00 179.24 179.65 2igq h SER 1132N 0.78 0.23 -0.60 4.15 0.02 -1.94 -0.68 113.55 115.52 2igq h SER 1132Ca 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.34 2igq h SER 1132Cb 0.49 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2igq h SER 1132CO -0.17 0.17 0.29 -0.08 -1.14 0.00 0.00 176.83 175.90 2igq h GLU 1133N 0.31 0.86 -0.68 3.45 4.57 -1.85 -2.94 114.58 118.30 2igq h GLU 1133Ca 0.10 -0.13 0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2igq h GLU 1133Cb 0.01 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.38 2igq h GLU 1133CO -0.05 0.70 0.36 0.00 -1.18 0.00 0.00 179.01 178.83 2igq h ALA 1134N 1.12 0.92 -0.15 2.92 0.00 -0.73 -2.86 119.26 120.49 2igq h ALA 1134Ca 0.21 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2igq h ALA 1134Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2igq h ALA 1134CO -0.03 0.01 0.10 -0.44 0.00 0.00 0.00 179.25 178.90 2igq h ASP 1135N 0.65 0.03 -0.61 0.00 3.32 -0.95 -1.10 116.42 117.76 2igq h ASP 1135Ca 0.32 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 2igq h ASP 1135Cb 0.25 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2igq h ASP 1135CO -0.21 0.02 0.06 1.33 -1.72 0.00 0.00 179.24 178.71 2igq n VAL 1136N -4.50 2.78 -3.77 -1.35 0.24 -1.09 -4.89 118.33 105.75 2igq n VAL 1136Ca 0.00 -1.43 -0.36 0.00 -2.04 0.00 0.00 64.34 60.52 2igq n VAL 1136Cb 0.21 -0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.20 2igq n VAL 1136CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2igq s ARG 1137N -2.79 3.99 0.08 7.34 0.52 -0.42 -5.01 118.95 122.65 2igq s ARG 1137Ca 0.54 -0.19 -0.25 0.00 -0.52 0.00 0.00 55.73 55.31 2igq s ARG 1137Cb 0.42 -3.36 -0.16 0.00 0.52 0.00 0.00 34.95 32.37 2igq s ARG 1137CO 0.15 0.43 1.68 1.49 0.02 0.00 0.00 175.30 179.07 2igq h GLU 1138N 6.21 -0.18 -5.66 3.54 4.81 -1.90 -3.41 114.58 117.99 2igq h GLU 1138Ca -0.45 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.21 2igq h GLU 1138Cb 1.17 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 2igq h GLU 1138CO 0.71 -0.09 -0.01 -2.00 -0.73 0.00 0.00 179.01 176.89 2igq s GLU 1139N -6.02 4.25 0.00 1.92 2.56 -1.26 -4.96 118.70 115.19 2igq s GLU 1139Ca -0.14 0.51 0.05 0.00 0.00 0.00 0.00 54.97 55.39 2igq s GLU 1139Cb 0.05 -3.53 0.11 0.00 2.00 0.00 0.00 34.13 32.77 2igq s GLU 1139CO 0.65 -0.08 0.98 -0.40 -0.56 0.00 0.00 175.26 175.85 2igq n ASP 1140N 4.49 2.12 0.03 -1.70 5.75 -1.26 -4.72 116.55 121.25 2igq n ASP 1140Ca -0.04 -1.76 0.12 0.00 -0.01 0.00 0.00 54.79 53.10 2igq n ASP 1140Cb 0.51 -0.07 0.50 0.00 -1.03 0.00 0.00 41.12 41.02 2igq n ASP 1140CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2igq n SER 1141N 0.06 0.18 -0.32 -1.12 7.64 -1.26 -3.32 113.62 115.48 2igq n SER 1141Ca 0.05 0.52 0.08 0.00 1.01 0.00 0.00 58.87 60.53 2igq n SER 1141Cb 0.27 -0.57 0.17 0.00 -1.01 0.00 0.00 64.21 63.07 2igq n SER 1141CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2igq n TYR 1142N -1.67 0.18 -3.31 1.43 4.01 -1.26 -5.02 117.16 111.51 2igq n TYR 1142Ca 0.06 -1.10 -0.38 0.00 -0.16 0.00 0.00 57.90 56.32 2igq n TYR 1142Cb 0.31 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 2igq n TYR 1142CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2igq s LEU 1143N -2.95 4.25 -0.21 7.72 1.43 -1.21 -0.60 118.68 127.11 2igq s LEU 1143Ca 0.35 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2igq s LEU 1143Cb 0.31 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.88 2igq s LEU 1143CO 0.02 -0.03 -0.15 0.12 0.23 0.00 0.00 176.35 176.54 2igq s PHE 1144N 0.79 2.96 0.13 0.29 5.36 0.44 -4.98 117.98 122.98 2igq s PHE 1144Ca 0.25 -1.80 -0.30 0.00 -0.96 0.00 0.00 56.93 54.12 2igq s PHE 1144Cb -0.15 -1.95 -0.07 0.00 -0.34 0.00 0.00 43.02 40.51 2igq s PHE 1144CO 0.10 -0.81 1.18 -0.51 -1.46 0.00 0.00 175.22 173.72 2igq s ASP 1145N 1.25 7.11 -0.03 6.13 1.01 -1.26 -0.29 116.67 130.59 2igq s ASP 1145Ca 0.00 2.12 -0.02 0.00 0.71 0.00 0.00 52.55 55.36 2igq s ASP 1145Cb -0.16 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 2igq s ASP 1145CO -0.09 -0.39 -0.03 -0.07 0.21 0.00 0.00 175.17 174.79 2igq h LEU 1146N 5.90 0.00 -8.47 1.23 3.38 -1.94 -3.48 115.31 111.93 2igq h LEU 1146Ca -0.43 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.88 2igq h LEU 1146Cb 1.21 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.67 2igq h LEU 1146CO 0.77 0.16 -0.79 -0.69 0.09 0.00 0.00 178.44 177.98 2igq s VAL 1153N -1.25 2.83 0.22 1.22 1.01 -1.26 -5.02 120.40 118.14 2igq s VAL 1153Ca -0.03 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2igq s VAL 1153Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2igq s VAL 1153CO 0.04 0.52 -0.15 -0.31 0.00 0.00 0.00 175.10 175.20 2igq s TYR 1154N 0.63 1.80 0.08 5.22 2.02 -1.26 -1.14 117.35 124.70 2igq s TYR 1154Ca -0.08 -0.54 0.02 0.00 -0.37 0.00 0.00 57.07 56.10 2igq s TYR 1154Cb -0.16 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 2igq s TYR 1154CO 0.03 0.41 -0.07 0.00 -1.57 0.00 0.00 175.55 174.34 2igq s ILE 1156N -2.75 3.95 -0.37 0.00 1.01 0.60 -0.91 121.20 122.75 2igq s ILE 1156Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 2igq s ILE 1156Cb -0.01 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 2igq s ILE 1156CO -0.03 0.24 0.30 -0.62 0.00 0.00 0.00 174.94 174.82 2igq s ASP 1157N 1.53 6.11 -0.10 3.58 2.15 0.26 -0.42 116.67 129.79 2igq s ASP 1157Ca 0.04 -0.54 0.13 0.00 0.43 0.00 0.00 52.55 52.62 2igq s ASP 1157Cb -0.16 -2.16 0.55 0.00 -0.30 0.00 0.00 42.92 40.84 2igq s ASP 1157CO 0.02 -0.34 1.41 0.00 -0.17 0.00 0.00 175.17 176.08 2igq n ALA 1158N 5.22 3.02 0.21 3.66 0.00 0.23 -1.22 120.51 131.63 2igq n ALA 1158Ca -0.11 -1.19 -0.14 0.00 0.00 0.00 0.00 53.44 51.99 2igq n ALA 1158Cb 0.49 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 2igq n ALA 1158CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2igq h ARG 1159N 3.03 -0.52 0.00 0.00 9.65 -1.94 -3.36 114.38 121.25 2igq h ARG 1159Ca 0.00 0.04 -0.33 0.00 -1.10 0.00 0.00 59.98 58.59 2igq h ARG 1159Cb 1.20 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.84 2igq h ARG 1159CO 0.20 -0.23 -2.00 1.19 2.80 0.00 0.00 179.97 181.93 2igq n PHE 1160N -5.23 0.60 -3.95 2.20 3.72 -1.26 -4.62 117.46 108.92 2igq n PHE 1160Ca -0.10 0.21 -0.18 0.00 -0.05 0.00 0.00 57.45 57.33 2igq n PHE 1160Cb 0.28 -1.11 -0.16 0.00 -0.94 0.00 0.00 39.48 37.55 2igq n PHE 1160CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2igq s TYR 1161N -2.55 0.42 0.21 1.38 2.02 -1.26 -1.13 117.35 116.43 2igq s TYR 1161Ca -0.08 -0.05 -0.23 0.00 -0.37 0.00 0.00 57.07 56.35 2igq s TYR 1161Cb 0.07 -0.50 0.06 0.00 -0.40 0.00 0.00 41.96 41.19 2igq s TYR 1161CO 0.82 -0.16 0.93 0.20 -1.57 0.00 0.00 175.55 175.77 2igq s GLY 1162N 1.12 -0.06 0.00 0.71 0.00 -1.00 -3.53 107.32 104.56 2igq s GLY 1162Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2igq s GLY 1162CO -0.02 0.51 0.00 1.16 0.00 0.00 0.00 173.10 174.75 2igq n ASN 1163N -0.76 0.62 0.09 1.64 6.94 -1.09 -1.12 115.26 121.58 2igq n ASN 1163Ca -0.05 -0.25 0.18 0.00 -0.02 0.00 0.00 54.58 54.44 2igq n ASN 1163Cb 0.60 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.75 2igq n ASN 1163CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 2igq h VAL 1164N 0.08 0.64 0.00 3.53 3.04 -1.89 -2.78 116.25 118.86 2igq h VAL 1164Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2igq h VAL 1164Cb 0.00 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 2igq h VAL 1164CO 0.00 0.00 -0.09 0.28 -1.01 0.00 0.00 177.57 176.75 2igq h SER 1165N 0.00 0.00 0.00 3.17 0.02 -1.92 -2.05 113.55 112.77 2igq h SER 1165Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2igq h SER 1165Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2igq h SER 1165CO -0.00 0.09 0.20 0.08 -1.14 0.00 0.00 176.83 176.05 2igq h ARG 1166N 0.00 0.00 -0.02 3.45 0.11 -1.81 -1.93 114.38 114.19 2igq h ARG 1166Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2igq h ARG 1166Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2igq h ARG 1166CO 0.01 0.00 -0.36 1.19 0.10 0.00 0.00 179.97 180.91 2igq n PHE 1167N -2.84 0.00 -2.17 4.08 3.72 -0.77 -4.95 117.46 114.53 2igq n PHE 1167Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2igq n PHE 1167Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 2igq n PHE 1167CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2igq s ILE 1168N -2.20 3.50 0.60 4.37 1.01 -0.73 -3.96 121.20 123.79 2igq s ILE 1168Ca 0.18 0.97 -0.13 0.00 0.00 0.00 0.00 60.65 61.67 2igq s ILE 1168Cb 0.16 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2igq s ILE 1168CO 0.48 0.02 1.03 0.20 0.00 0.00 0.00 174.94 176.66 2igq s ASN 1169N 1.71 6.17 0.22 3.58 0.02 -1.26 -4.89 114.94 120.50 2igq s ASN 1169Ca 0.65 1.51 -0.30 0.00 -1.02 0.00 0.00 52.86 53.71 2igq s ASN 1169Cb -0.34 -2.49 -0.09 0.00 0.02 0.00 0.00 41.25 38.35 2igq s ASN 1169CO 0.28 -0.90 1.22 -2.28 0.02 0.00 0.00 177.10 175.44 2igq s HIS 1170N -2.98 3.36 0.00 2.20 5.65 -1.26 -2.89 115.29 119.37 2igq s HIS 1170Ca 0.57 1.42 0.01 0.00 0.25 0.00 0.00 55.06 57.30 2igq s HIS 1170Cb -0.11 -3.48 -0.00 0.00 -1.18 0.00 0.00 32.58 27.80 2igq s HIS 1170CO 0.47 -1.36 -0.02 -1.58 -0.65 0.00 0.00 174.74 171.60 2igq s HIS 1171N -0.35 0.21 -0.21 3.88 2.46 -0.65 -4.64 115.29 115.99 2igq s HIS 1171Ca 0.52 -0.07 0.17 0.00 0.47 0.00 0.00 55.06 56.15 2igq s HIS 1171Cb -0.34 -0.14 0.11 0.00 -0.13 0.00 0.00 32.58 32.08 2igq s HIS 1171CO 0.40 -0.01 1.46 0.00 -2.47 0.00 0.00 174.74 174.11 2igq n GLU 1173N -3.19 2.71 -2.16 0.00 -0.58 -1.26 -4.93 120.64 111.23 2igq n GLU 1173Ca 0.02 -4.71 -0.41 0.00 -0.42 0.00 0.00 57.16 51.64 2igq n GLU 1173Cb 0.70 -2.26 -0.02 0.00 -0.57 0.00 0.00 31.44 29.28 2igq n GLU 1173CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2igq s PRO 1174N -2.69 4.39 0.00 3.49 0.04 -1.25 -4.95 135.00 134.04 2igq s PRO 1174Ca 0.42 2.17 0.30 0.00 0.04 0.00 0.00 61.00 63.92 2igq s PRO 1174Cb 0.17 -3.09 1.41 0.00 0.04 0.00 0.00 34.50 33.03 2igq s PRO 1174CO -0.03 -0.15 1.96 0.27 0.04 0.00 0.00 177.00 179.09 2igq n ASN 1175N 0.93 0.37 -4.22 6.66 0.23 -1.15 -4.75 115.26 113.33 2igq n ASN 1175Ca 0.00 -0.66 -0.25 0.00 -0.53 0.00 0.00 54.58 53.14 2igq n ASN 1175Cb 0.42 -0.09 -0.15 0.00 -2.08 0.00 0.00 39.78 37.88 2igq n ASN 1175CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2igq s LEU 1176N -2.35 2.12 -0.07 -4.53 1.43 -0.69 -0.53 118.68 114.06 2igq s LEU 1176Ca 0.34 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 2igq s LEU 1176Cb 0.21 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 2igq s LEU 1176CO 0.44 0.18 -0.22 0.54 0.23 0.00 0.00 176.35 177.51 2igq s VAL 1177N -0.68 1.84 0.22 -1.59 0.11 -0.07 -4.44 120.40 115.79 2igq s VAL 1177Ca 0.07 -0.93 -0.30 0.00 -2.93 0.00 0.00 61.98 57.89 2igq s VAL 1177Cb -0.08 -1.58 -0.09 0.00 -1.53 0.00 0.00 36.38 33.10 2igq s VAL 1177CO 0.01 0.52 1.15 -2.16 -3.33 0.00 0.00 175.10 171.28 2igq s PRO 1178N 0.08 4.56 -0.05 1.54 0.04 -1.26 -1.30 135.00 138.60 2igq s PRO 1178Ca -0.08 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2igq s PRO 1178Cb -0.15 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.18 2igq s PRO 1178CO 0.05 0.04 -0.11 0.08 0.04 0.00 0.00 177.00 177.10 2igq s VAL 1179N -0.50 1.04 -0.01 -0.36 1.01 0.12 -4.91 120.40 116.80 2igq s VAL 1179Ca 0.49 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2igq s VAL 1179Cb -0.32 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2igq s VAL 1179CO 0.38 0.33 1.02 -0.13 0.00 0.00 0.00 175.10 176.70 2igq s ARG 1180N 0.51 4.52 -0.01 2.72 0.52 -1.26 -0.94 118.95 125.01 2igq s ARG 1180Ca -0.11 1.48 0.03 0.00 -0.52 0.00 0.00 55.73 56.61 2igq s ARG 1180Cb -0.14 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.87 2igq s ARG 1180CO 0.03 -0.13 -0.08 0.08 0.02 0.00 0.00 175.30 175.22 2igq s VAL 1181N 1.19 0.65 -0.06 3.52 1.01 0.38 -1.81 120.40 125.28 2igq s VAL 1181Ca 0.53 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2igq s VAL 1181Cb -0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 2igq s VAL 1181CO 0.27 0.18 -0.24 -0.36 0.00 0.00 0.00 175.10 174.95 2igq s PHE 1182N -0.18 2.47 0.00 5.22 0.08 -0.47 -1.01 117.98 124.09 2igq s PHE 1182Ca 0.03 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.41 2igq s PHE 1182Cb -0.03 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 2igq s PHE 1182CO -0.00 -0.18 0.00 -1.33 -0.10 0.00 0.00 175.22 173.61 2igq n MET 1183N 2.91 0.00 0.24 0.44 2.81 -1.26 -1.67 117.12 120.59 2igq n MET 1183Ca -0.17 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.85 2igq n MET 1183Cb 0.52 0.00 0.33 0.00 -0.71 0.00 0.00 33.22 33.36 2igq n MET 1183CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2igq h ALA 1184N 1.00 1.00 -2.32 3.04 0.00 -1.92 -3.43 119.26 116.63 2igq h ALA 1184Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2igq h ALA 1184Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 2igq h ALA 1184CO 0.00 0.00 -0.65 -3.38 0.00 0.00 0.00 179.25 175.22 2igq s HIS 1185N -3.35 1.19 -0.28 0.00 0.00 -1.26 -4.96 115.29 106.64 2igq s HIS 1185Ca 0.05 -1.08 0.17 0.00 -3.00 0.00 0.00 55.06 51.20 2igq s HIS 1185Cb 0.06 -0.68 0.49 0.00 -4.00 0.00 0.00 32.58 28.45 2igq s HIS 1185CO 0.63 -0.29 1.13 1.04 -1.00 0.00 0.00 174.74 176.25 2igq n GLN 1186N -0.25 2.33 -2.61 -0.38 6.02 -1.26 -4.78 117.38 116.46 2igq n GLN 1186Ca -0.05 -3.73 -0.42 0.00 -0.01 0.00 0.00 57.00 52.78 2igq n GLN 1186Cb 0.64 -1.81 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 2igq n GLN 1186CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2igq s ASP 1187N -3.70 6.46 0.35 1.08 -1.08 -1.26 -4.91 116.67 113.61 2igq s ASP 1187Ca 0.35 0.12 0.26 0.00 -0.52 0.00 0.00 52.55 52.76 2igq s ASP 1187Cb 0.36 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.50 2igq s ASP 1187CO -0.02 -1.43 1.78 -0.07 0.52 0.00 0.00 175.17 175.95 2igq h LEU 1188N 11.75 0.00 -1.62 -1.34 3.38 -1.98 0.86 115.31 126.35 2igq h LEU 1188Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2igq h LEU 1188Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2igq h LEU 1188CO 1.17 0.00 0.00 0.03 0.09 0.00 0.00 178.44 179.73 2igq h ARG 1189N 0.00 0.00 -2.13 1.13 3.08 -2.03 -3.38 114.38 111.05 2igq h ARG 1189Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2igq h ARG 1189Cb 0.21 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.85 2igq h ARG 1189CO 0.00 0.00 -0.78 1.19 -1.07 0.00 0.00 179.97 179.31 2igq n PHE 1190N -3.04 2.34 -1.50 3.04 3.72 0.30 -4.75 117.46 117.56 2igq n PHE 1190Ca 0.00 -3.95 -0.33 0.00 -0.05 0.00 0.00 57.45 53.13 2igq n PHE 1190Cb 0.27 -0.48 0.07 0.00 -0.94 0.00 0.00 39.48 38.40 2igq n PHE 1190CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2igq s PRO 1191N -2.19 2.42 0.06 -1.08 0.04 -1.26 -4.87 135.00 128.11 2igq s PRO 1191Ca 0.39 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 2igq s PRO 1191Cb 0.18 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 2igq s PRO 1191CO -0.06 -1.55 0.28 1.03 0.04 0.00 0.00 177.00 176.74 2igq s ARG 1192N -4.31 3.55 -0.38 4.56 0.52 -0.18 -4.87 118.95 117.84 2igq s ARG 1192Ca 0.67 -0.19 -0.07 0.00 -0.52 0.00 0.00 55.73 55.61 2igq s ARG 1192Cb -0.21 -3.00 0.06 0.00 0.52 0.00 0.00 34.95 32.32 2igq s ARG 1192CO 0.47 0.59 0.19 0.42 0.02 0.00 0.00 175.30 176.98 2igq s ILE 1193N -1.46 3.97 -0.20 1.52 -1.09 -1.26 -0.47 121.20 122.20 2igq s ILE 1193Ca 0.34 -1.33 -0.05 0.00 -2.23 0.00 0.00 60.65 57.38 2igq s ILE 1193Cb -0.13 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2igq s ILE 1193CO 0.22 -0.38 0.00 0.00 -1.23 0.00 0.00 174.94 173.55 2igq s ALA 1194N 1.39 3.02 -0.13 9.38 0.00 -0.11 0.03 121.76 135.35 2igq s ALA 1194Ca 0.01 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 2igq s ALA 1194Cb -0.21 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2igq s ALA 1194CO 0.02 -0.18 0.75 -0.06 0.00 0.00 0.00 175.76 176.29 2igq s PHE 1195N 1.06 3.48 0.02 0.00 0.08 -0.05 0.10 117.98 122.67 2igq s PHE 1195Ca 0.02 1.21 0.06 0.00 0.12 0.00 0.00 56.93 58.34 2igq s PHE 1195Cb -0.14 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.37 2igq s PHE 1195CO 0.02 -0.10 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.83 2igq s PHE 1196N 1.57 2.65 0.29 0.36 0.08 -0.42 -0.81 117.98 121.70 2igq s PHE 1196Ca 0.37 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.93 2igq s PHE 1196Cb -0.17 -1.51 -0.10 0.00 -0.57 0.00 0.00 43.02 40.66 2igq s PHE 1196CO 0.15 0.28 1.44 -1.54 -0.10 0.00 0.00 175.22 175.44 2igq s SER 1197N -1.38 6.60 0.00 1.36 1.04 0.08 -0.89 113.70 120.51 2igq s SER 1197Ca 0.15 2.76 0.24 0.00 0.48 0.00 0.00 55.95 59.57 2igq s SER 1197Cb -0.11 -2.64 0.24 0.00 0.10 0.00 0.00 66.02 63.62 2igq s SER 1197CO 0.06 -0.72 1.23 0.35 0.98 0.00 0.00 173.24 175.14 2igq n THR 1198N 1.77 0.00 -3.86 2.02 -2.24 0.31 -0.89 114.28 111.39 2igq n THR 1198Ca 0.05 -0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 2igq n THR 1198Cb 0.40 0.75 0.02 0.00 -2.10 0.00 0.00 70.33 69.40 2igq n THR 1198CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2igq s ARG 1199N -2.73 1.45 0.12 -0.78 1.70 -1.26 -4.83 118.95 112.61 2igq s ARG 1199Ca 0.16 -0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 54.18 2igq s ARG 1199Cb 0.18 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.86 2igq s ARG 1199CO 0.66 -0.68 1.83 -1.17 -1.08 0.00 0.00 175.30 174.87 2igq s LEU 1200N -3.33 4.40 -0.32 -1.89 2.96 -1.26 -3.64 118.68 115.61 2igq s LEU 1200Ca 0.20 2.75 -0.10 0.00 -0.22 0.00 0.00 54.13 56.76 2igq s LEU 1200Cb -0.03 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 2igq s LEU 1200CO 0.06 -1.00 0.16 -0.63 -1.32 0.00 0.00 176.35 173.61 2igq s ILE 1201N 2.80 4.60 0.39 6.68 1.01 0.41 -4.96 121.20 132.13 2igq s ILE 1201Ca 0.81 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 60.76 2igq s ILE 1201Cb -0.46 -3.37 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 2igq s ILE 1201CO 0.36 0.04 0.98 -1.61 0.00 0.00 0.00 174.94 174.71 2igq s GLU 1202N 1.61 4.30 0.18 2.79 2.02 -1.26 -0.39 118.70 127.94 2igq s GLU 1202Ca 0.04 1.29 -0.33 0.00 0.02 0.00 0.00 54.97 55.99 2igq s GLU 1202Cb -0.17 -2.45 -0.15 0.00 0.10 0.00 0.00 34.13 31.46 2igq s GLU 1202CO 0.06 0.02 1.28 0.00 0.02 0.00 0.00 175.26 176.64 2igq n ALA 1203N -0.15 -0.12 0.00 5.21 0.00 -1.22 -1.72 120.51 122.51 2igq n ALA 1203Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2igq n ALA 1203Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2igq n ALA 1203CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2igq n GLY 1204N 2.21 2.69 3.77 0.00 0.00 0.78 -4.92 105.19 109.70 2igq n GLY 1204Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2igq n GLY 1204CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2igq s GLU 1205N -0.73 4.45 0.16 1.61 2.12 -0.70 -4.75 118.70 120.87 2igq s GLU 1205Ca 0.00 1.74 -0.30 0.00 0.36 0.00 0.00 54.97 56.77 2igq s GLU 1205Cb 0.00 -2.97 -0.08 0.00 0.26 0.00 0.00 34.13 31.35 2igq s GLU 1205CO 0.00 0.06 1.19 -1.14 -0.54 0.00 0.00 175.26 174.83 2igq s GLN 1206N -1.81 4.49 0.36 4.30 0.74 -1.26 -2.02 119.66 124.46 2igq s GLN 1206Ca 0.49 1.85 -0.26 0.00 0.05 0.00 0.00 55.36 57.49 2igq s GLN 1206Cb -0.29 -3.26 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 2igq s GLN 1206CO 0.38 -0.11 1.14 -0.51 -0.55 0.00 0.00 175.29 175.64 2igq s LEU 1207N -0.00 4.29 -0.02 3.68 1.43 0.36 -4.93 118.68 123.50 2igq s LEU 1207Ca 0.54 2.30 -0.20 0.00 -1.03 0.00 0.00 54.13 55.73 2igq s LEU 1207Cb -0.32 -3.92 0.04 0.00 0.03 0.00 0.00 46.19 42.02 2igq s LEU 1207CO 0.35 -0.49 0.43 -0.83 0.23 0.00 0.00 176.35 176.04 2igq s GLY 1208N -1.10 -0.29 0.20 -3.19 0.00 -1.26 -4.07 107.32 97.60 2igq s GLY 1208Ca 0.53 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.89 2igq s GLY 1208CO 0.38 0.37 0.03 -0.11 0.00 0.00 0.00 173.10 173.77 2igq s PHE 1209N -1.38 1.29 -0.41 1.90 -0.12 -1.14 -1.71 117.98 116.41 2igq s PHE 1209Ca -0.12 -1.08 -0.22 0.00 -0.05 0.00 0.00 56.93 55.46 2igq s PHE 1209Cb -0.03 -0.74 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 2igq s PHE 1209CO 0.05 -0.27 0.70 0.34 -0.05 0.00 0.00 175.22 176.00 2igq s ASP 1210N -3.21 6.41 0.61 1.98 -1.08 -1.25 -1.63 116.67 118.50 2igq s ASP 1210Ca 0.28 -0.03 0.40 0.00 -0.52 0.00 0.00 52.55 52.68 2igq s ASP 1210Cb 0.07 -2.35 2.10 0.00 -1.46 0.00 0.00 42.92 41.28 2igq s ASP 1210CO 0.07 -0.76 2.23 1.88 0.52 0.00 0.00 175.17 179.11 2igq h TYR 1211N 8.73 0.00 0.00 -5.34 -1.99 -1.94 -3.48 116.97 112.94 2igq h TYR 1211Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 2igq h TYR 1211Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.83 2igq h TYR 1211CO 0.76 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.33 2igq n GLY 1212N -0.84 -1.10 0.25 3.88 0.00 -1.26 -4.52 105.19 101.61 2igq n GLY 1212Ca -0.02 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 2igq n GLY 1212CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2igq h GLU 1213N 0.00 0.67 -0.97 1.61 4.39 -2.00 -3.10 114.58 115.17 2igq h GLU 1213Ca 0.00 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.47 2igq h GLU 1213Cb 0.00 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 2igq h GLU 1213CO 0.00 0.85 0.63 -0.09 -1.16 0.00 0.00 179.01 179.24 2igq h ARG 1214N 0.58 1.20 -0.35 2.33 2.43 -2.00 -1.51 114.38 117.06 2igq h ARG 1214Ca 0.08 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2igq h ARG 1214Cb 0.72 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2igq h ARG 1214CO 0.06 0.79 0.18 0.35 -1.51 0.00 0.00 179.97 179.84 2igq h PHE 1215N 1.24 0.50 0.00 2.20 3.57 -1.77 -3.26 116.94 119.41 2igq h PHE 1215Ca 0.38 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.71 2igq h PHE 1215Cb -0.03 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2igq h PHE 1215CO -0.01 0.41 -0.73 -1.49 -2.23 0.00 0.00 178.31 174.26 2igq h TRP 1216N 0.44 0.00 -0.06 0.41 4.06 -1.51 0.10 115.95 119.38 2igq h TRP 1216Ca 0.12 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.09 2igq h TRP 1216Cb 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 2igq h TRP 1216CO -0.02 0.73 0.12 0.22 -3.56 0.00 0.00 178.44 175.92 2igq h ASP 1217N 0.00 0.00 0.00 -3.49 3.58 -1.32 0.81 116.42 116.00 2igq h ASP 1217Ca -0.01 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.22 2igq h ASP 1217Cb 1.46 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.47 2igq h ASP 1217CO 0.09 0.00 -1.83 0.00 -2.88 0.00 0.00 179.24 174.63 2igq n ILE 1218N -3.47 0.83 0.78 2.25 0.00 -1.11 -4.68 119.36 113.95 2igq n ILE 1218Ca -0.01 -0.34 0.13 0.00 0.00 0.00 0.00 62.75 62.53 2igq n ILE 1218Cb 0.20 -0.97 0.48 0.00 0.00 0.00 0.00 39.64 39.36 2igq n ILE 1218CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2igq n LYS 1219N -2.85 0.15 -2.56 9.51 0.00 0.00 -5.15 118.16 117.27 2igq n LYS 1219Ca -0.25 0.12 -0.43 0.00 0.00 0.00 0.00 58.31 57.76 2igq n LYS 1219Cb 0.79 -1.68 -0.02 0.00 0.00 0.00 0.00 35.03 34.12 2igq n LYS 1219CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2igq s GLY 1220N -3.34 1.40 -0.02 3.14 0.00 0.27 -4.98 107.32 103.79 2igq s GLY 1220Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.71 2igq s GLY 1220CO 0.57 2.43 -0.09 -0.56 0.00 0.00 0.00 173.10 175.45 2igq s SER 1224N 2.33 1.19 0.25 1.64 0.01 -1.26 -4.98 113.70 112.88 2igq s SER 1224Ca 0.50 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.28 2igq s SER 1224Cb -0.12 -0.27 -0.09 0.00 0.21 0.00 0.00 66.02 65.75 2igq s SER 1224CO 0.23 0.08 1.28 0.00 0.41 0.00 0.00 173.24 175.25 2igq n ARG 1226N 1.85 2.08 0.18 0.00 1.74 -1.26 -4.34 116.66 116.92 2igq n ARG 1226Ca 0.03 -2.49 0.17 0.00 -0.77 0.00 0.00 57.85 54.79 2igq n ARG 1226Cb 0.43 -1.53 0.79 0.00 -1.02 0.00 0.00 32.46 31.13 2igq n ARG 1226CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2igq n GLY 1228N -1.45 0.58 3.72 0.00 0.00 -1.26 -4.99 105.19 101.79 2igq n GLY 1228Ca 0.02 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2igq n GLY 1228CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2igq s SER 1229N -2.85 7.02 0.45 1.61 0.15 -1.26 -4.92 113.70 113.90 2igq s SER 1229Ca 0.00 2.10 0.21 0.00 0.70 0.00 0.00 55.95 58.96 2igq s SER 1229Cb 0.00 -2.58 1.18 0.00 -1.71 0.00 0.00 66.02 62.91 2igq s SER 1229CO 0.00 -0.50 1.87 -0.65 1.20 0.00 0.00 173.24 175.15 2igq h PRO 1230N 6.70 0.30 -0.86 5.44 0.11 -2.04 -1.59 132.00 140.07 2igq h PRO 1230Ca -0.42 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.33 2igq h PRO 1230Cb 1.21 -0.07 -0.20 0.00 0.11 0.00 0.00 31.00 32.05 2igq h PRO 1230CO 0.82 0.20 0.43 1.63 -0.21 0.00 0.00 178.00 180.87 2igq n LYS 1231N -4.46 3.16 -1.75 1.05 4.76 -1.26 -5.01 118.16 114.65 2igq n LYS 1231Ca 0.19 -3.05 -0.42 0.00 -2.87 0.00 0.00 58.31 52.16 2igq n LYS 1231Cb 0.75 -2.21 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 2igq n LYS 1231CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2igq n ARG 1233N 4.39 2.37 -0.86 0.00 1.74 -1.26 -4.56 116.66 118.48 2igq n ARG 1233Ca 0.16 -2.05 0.01 0.00 -0.77 0.00 0.00 57.85 55.20 2igq n ARG 1233Cb 0.36 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 2igq n ARG 1233CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2igq n HIS 1234N 1.32 0.00 1.20 -1.55 8.25 -1.26 -5.11 115.22 118.07 2igq n HIS 1234Ca 0.18 -0.19 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2igq n HIS 1234Cb 0.57 -0.06 0.27 0.00 1.12 0.00 0.00 29.99 31.89 2igq n HIS 1234CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43