#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p14 s PHE 979 N 0.00 -1.09 0.40 3.52 5.36 -1.26 -5.16 117.98 119.75 1p14 s PHE 979 Ca 0.00 1.94 -0.27 0.00 -0.96 0.00 0.00 56.93 57.64 1p14 s PHE 979 Cb 0.00 0.65 -0.10 0.00 -0.34 0.00 0.00 43.02 43.24 1p14 s PHE 979 CO 0.00 -0.54 1.40 -1.25 -1.46 0.00 0.00 175.22 173.37 1p14 s PRO 980 N 2.52 3.99 0.22 10.12 0.04 -1.26 -5.03 135.00 145.60 1p14 s PRO 980 Ca -0.06 2.38 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 1p14 s PRO 980 Cb -0.09 -2.84 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 1p14 s PRO 980 CO -0.18 -0.55 0.50 -1.54 0.04 0.00 0.00 177.00 175.26 1p14 s SER 981 N -0.44 6.53 -0.40 6.66 1.04 -1.26 -5.03 113.70 120.80 1p14 s SER 981 Ca 0.55 0.76 -0.27 0.00 0.48 0.00 0.00 55.95 57.47 1p14 s SER 981 Cb -0.43 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.55 1p14 s SER 981 CO 0.56 -0.08 1.02 -0.55 0.98 0.00 0.00 173.24 175.18 1p14 s SER 982 N -2.63 6.70 0.02 7.02 0.15 -1.26 -4.89 113.70 118.81 1p14 s SER 982 Ca 0.45 0.59 0.23 0.00 0.70 0.00 0.00 55.95 57.91 1p14 s SER 982 Cb -0.11 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1p14 s SER 982 CO 0.25 -1.01 1.04 1.33 1.20 0.00 0.00 173.24 176.04 1p14 n VAL 983 N 6.28 0.06 -2.00 4.45 0.24 -1.26 -4.93 118.33 121.18 1p14 n VAL 983 Ca 0.10 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 1p14 n VAL 983 Cb 0.48 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 1p14 n VAL 983 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1p14 s TYR 984 N -3.10 2.99 -0.23 6.34 5.04 -1.26 -4.99 117.35 122.13 1p14 s TYR 984 Ca 0.06 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.30 1p14 s TYR 984 Cb 0.16 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.59 1p14 s TYR 984 CO 0.81 -3.23 -0.02 0.08 -1.34 0.00 0.00 175.55 171.85 1p14 s VAL 985 N 1.44 3.50 -0.87 3.14 1.01 -1.26 -5.03 120.40 122.32 1p14 s VAL 985 Ca 0.69 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 1p14 s VAL 985 Cb -0.41 -2.63 -0.14 0.00 0.00 0.00 0.00 36.38 33.20 1p14 s VAL 985 CO 0.31 0.37 2.27 -2.84 0.00 0.00 0.00 175.10 175.21 1p14 s PRO 986 N 1.49 1.70 0.00 2.72 0.02 -1.26 -4.82 135.00 134.85 1p14 s PRO 986 Ca 0.05 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.22 1p14 s PRO 986 Cb -0.15 -4.88 0.00 0.00 0.02 0.00 0.00 34.50 29.49 1p14 s PRO 986 CO -0.02 -4.46 0.00 -0.40 -0.33 0.00 0.00 177.00 171.79 1p14 n ASP 987 N 17.98 0.00 0.17 2.53 5.68 -1.26 -4.87 116.55 136.78 1p14 n ASP 987 Ca 0.45 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.86 1p14 n ASP 987 Cb 0.44 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.03 1p14 n ASP 987 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1p14 h GLU 988 N 0.00 0.00 0.00 0.11 9.09 -2.03 -1.40 114.58 120.35 1p14 h GLU 988 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1p14 h GLU 988 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1p14 h GLU 988 CO 0.00 0.00 -0.14 -1.49 0.05 0.00 0.00 179.01 177.43 1p14 h TRP 989 N 0.00 0.00 -2.89 2.06 4.06 -1.92 -3.46 115.95 113.80 1p14 h TRP 989 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 1p14 h TRP 989 Cb 0.15 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.35 1p14 h TRP 989 CO 0.00 0.00 0.86 -2.00 -3.56 0.00 0.00 178.44 173.74 1p14 s GLU 990 N -3.22 4.23 -0.04 0.49 2.56 -0.53 -1.33 118.70 120.85 1p14 s GLU 990 Ca 0.06 2.34 0.06 0.00 0.00 0.00 0.00 54.97 57.43 1p14 s GLU 990 Cb 0.07 -3.16 -0.01 0.00 2.00 0.00 0.00 34.13 33.03 1p14 s GLU 990 CO 0.68 -0.58 -0.21 0.08 -0.56 0.00 0.00 175.26 174.67 1p14 s VAL 991 N 1.02 1.73 0.20 3.70 1.01 0.76 -4.85 120.40 123.97 1p14 s VAL 991 Ca 0.69 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1p14 s VAL 991 Cb -0.43 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 1p14 s VAL 991 CO 0.32 0.49 1.38 -0.94 0.00 0.00 0.00 175.10 176.35 1p14 s SER 992 N -0.19 6.79 0.27 3.32 1.04 -1.26 -4.36 113.70 119.31 1p14 s SER 992 Ca -0.00 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.93 1p14 s SER 992 Cb -0.11 -2.61 0.60 0.00 0.10 0.00 0.00 66.02 63.99 1p14 s SER 992 CO 0.02 -0.62 1.72 -0.09 0.98 0.00 0.00 173.24 175.25 1p14 h ARG 993 N 5.49 0.45 -0.12 4.02 2.43 -1.94 -0.96 114.38 123.76 1p14 h ARG 993 Ca -0.45 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 1p14 h ARG 993 Cb 1.21 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1p14 h ARG 993 CO 0.79 0.30 0.27 0.93 -1.51 0.00 0.00 179.97 180.75 1p14 h GLU 994 N 0.47 0.00 0.00 0.20 5.08 -2.02 -0.02 114.58 118.29 1p14 h GLU 994 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1p14 h GLU 994 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1p14 h GLU 994 CO -0.45 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.19 1p14 n LYS 995 N -3.30 0.16 -3.69 2.33 5.02 -0.36 -4.78 118.16 113.54 1p14 n LYS 995 Ca 0.00 0.14 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 1p14 n LYS 995 Cb 0.36 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1p14 n LYS 995 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p14 s ILE 996 N -3.07 5.39 -0.12 -0.18 -1.09 -0.02 -1.72 121.20 120.39 1p14 s ILE 996 Ca 0.12 0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.78 1p14 s ILE 996 Cb 0.15 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1p14 s ILE 996 CO 0.57 0.41 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.62 1p14 s THR 997 N 0.56 1.70 -0.05 2.92 2.01 -0.34 -5.00 115.64 117.44 1p14 s THR 997 Ca 0.09 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 1p14 s THR 997 Cb -0.12 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1p14 s THR 997 CO 0.00 0.48 0.42 -0.76 -0.69 0.00 0.00 174.62 174.07 1p14 s LEU 998 N 0.89 4.39 -0.23 4.42 1.43 -1.26 -0.37 118.68 127.94 1p14 s LEU 998 Ca -0.08 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1p14 s LEU 998 Cb -0.15 -2.60 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 1p14 s LEU 998 CO -0.01 0.20 -0.27 0.18 0.23 0.00 0.00 176.35 176.69 1p14 n LEU 999 N 2.57 2.08 -3.74 1.79 4.77 0.76 -4.95 117.00 120.28 1p14 n LEU 999 Ca -0.12 0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1p14 n LEU 999 Cb 0.52 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1p14 n LEU 999 CO 0.39 0.61 0.65 0.00 -1.33 0.00 0.00 177.39 177.72 1p14 s ARG 1000N -2.43 1.29 0.32 3.23 1.70 -1.07 -4.99 118.95 117.00 1p14 s ARG 1000Ca -0.32 -0.69 -0.26 0.00 -0.47 0.00 0.00 55.73 53.99 1p14 s ARG 1000Cb 0.11 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 1p14 s ARG 1000CO 0.44 -0.59 0.95 -1.21 -1.08 0.00 0.00 175.30 173.81 1p14 s GLU 1001N -3.43 4.58 -0.05 3.89 2.02 -1.26 -0.37 118.70 124.08 1p14 s GLU 1001Ca 0.11 1.33 0.08 0.00 0.02 0.00 0.00 54.97 56.51 1p14 s GLU 1001Cb -0.02 -2.79 -0.12 0.00 0.10 0.00 0.00 34.13 31.29 1p14 s GLU 1001CO 0.02 0.27 0.10 1.28 0.02 0.00 0.00 175.26 176.95 1p14 n LEU 1002N 0.54 0.00 0.00 1.80 4.77 0.56 -4.76 117.00 119.92 1p14 n LEU 1002Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1p14 n LEU 1002Cb 0.50 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1p14 n LEU 1002CO 0.44 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1p14 n GLY 1003N 2.26 3.63 3.73 -0.72 0.00 -1.11 -4.99 105.19 107.99 1p14 n GLY 1003Ca -0.09 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1p14 n GLY 1003CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p14 s GLN 1004N -2.39 4.33 0.51 1.61 -1.52 -1.26 -0.92 119.66 120.01 1p14 s GLN 1004Ca 0.00 2.14 0.07 0.00 -1.95 0.00 0.00 55.36 55.62 1p14 s GLN 1004Cb 0.00 -3.19 0.03 0.00 -0.22 0.00 0.00 33.01 29.63 1p14 s GLN 1004CO 0.00 -0.37 0.46 0.20 -0.25 0.00 0.00 175.29 175.33 1p14 s GLY 1005N 0.63 2.18 0.53 3.09 0.00 0.24 -4.88 107.32 109.12 1p14 s GLY 1005Ca 0.61 -1.63 0.21 0.00 0.00 0.00 0.00 44.72 43.91 1p14 s GLY 1005CO 0.36 -1.82 2.09 1.48 0.00 0.00 0.00 173.10 175.21 1p14 h SER 1006N 0.75 0.00 0.00 1.64 4.64 -1.96 -2.89 113.55 115.73 1p14 h SER 1006Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1p14 h SER 1006Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1p14 h SER 1006CO 0.55 0.00 -1.68 0.49 -0.87 0.00 0.00 176.83 175.31 1p14 n PHE 1007N -4.38 0.00 -3.68 4.77 3.72 -1.26 -5.04 117.46 111.59 1p14 n PHE 1007Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1p14 n PHE 1007Cb 0.32 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1p14 n PHE 1007CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1p14 n GLY 1008N 1.54 -1.29 3.76 1.37 0.00 -1.09 0.34 105.19 109.81 1p14 n GLY 1008Ca -0.03 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1p14 n GLY 1008CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p14 s MET 1009N -1.36 4.28 -0.10 1.61 -2.45 -1.26 0.83 119.30 120.85 1p14 s MET 1009Ca 0.00 2.30 -0.01 0.00 -1.25 0.00 0.00 55.69 56.73 1p14 s MET 1009Cb 0.00 -3.08 -0.03 0.00 1.25 0.00 0.00 34.83 32.97 1p14 s MET 1009CO 0.00 -0.35 -0.05 0.08 1.05 0.00 0.00 175.02 175.75 1p14 s VAL 1010N -0.54 3.83 0.23 10.11 1.01 -0.10 -2.40 120.40 132.55 1p14 s VAL 1010Ca 0.55 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.22 1p14 s VAL 1010Cb -0.42 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1p14 s VAL 1010CO 0.49 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.65 1p14 s TYR 1011N -0.39 2.13 -0.05 5.22 1.51 0.37 -0.32 117.35 125.83 1p14 s TYR 1011Ca 0.06 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.61 1p14 s TYR 1011Cb -0.12 -0.98 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1p14 s TYR 1011CO 0.02 0.56 0.31 -2.00 -1.11 0.00 0.00 175.55 173.34 1p14 s GLU 1012N -3.26 3.77 0.00 -0.62 2.12 0.50 0.77 118.70 121.98 1p14 s GLU 1012Ca 0.25 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1p14 s GLU 1012Cb -0.05 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1p14 s GLU 1012CO 0.11 0.71 0.00 0.41 -0.54 0.00 0.00 175.26 175.95 1p14 n GLY 1013N 1.92 3.04 3.00 -1.50 0.00 0.51 -0.17 105.19 112.00 1p14 n GLY 1013Ca -0.16 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1p14 n GLY 1013CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p14 s ASN 1014N 0.01 0.78 -0.09 1.61 0.01 0.50 -1.43 114.94 116.33 1p14 s ASN 1014Ca 0.00 -0.25 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 1p14 s ASN 1014Cb 0.00 -0.04 0.01 0.00 0.41 0.00 0.00 41.25 41.63 1p14 s ASN 1014CO 0.00 -0.01 -0.15 0.00 -1.51 0.00 0.00 177.10 175.43 1p14 s ALA 1015N -0.54 1.56 -0.04 0.60 0.00 0.60 -1.20 121.76 122.73 1p14 s ALA 1015Ca -0.01 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 1p14 s ALA 1015Cb -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1p14 s ALA 1015CO 0.00 0.07 0.69 0.50 0.00 0.00 0.00 175.76 177.02 1p14 s ARG 1016N 0.74 4.43 -1.19 0.00 3.52 -0.70 -0.31 118.95 125.44 1p14 s ARG 1016Ca -0.12 0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 56.07 1p14 s ARG 1016Cb -0.16 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1p14 s ARG 1016CO 0.03 0.14 0.71 -0.25 -0.81 0.00 0.00 175.30 175.12 1p14 n ASP 1017N 3.47 -4.46 -0.03 -2.12 8.00 0.14 -4.88 116.55 116.67 1p14 n ASP 1017Ca -0.02 -1.19 0.02 0.00 0.71 0.00 0.00 54.79 54.31 1p14 n ASP 1017Cb 0.51 -2.35 -0.10 0.00 -0.02 0.00 0.00 41.12 39.16 1p14 n ASP 1017CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p14 n ILE 1018N -4.71 0.30 -4.46 0.53 3.06 -1.26 -4.93 119.36 107.88 1p14 n ILE 1018Ca -0.11 -0.37 -0.29 0.00 -2.50 0.00 0.00 62.75 59.48 1p14 n ILE 1018Cb 0.58 -0.12 -0.17 0.00 0.54 0.00 0.00 39.64 40.47 1p14 n ILE 1018CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1p14 s ILE 1019N -2.66 1.62 0.23 9.51 1.01 -1.26 -5.03 121.20 124.62 1p14 s ILE 1019Ca -0.05 -0.71 -0.32 0.00 0.00 0.00 0.00 60.65 59.57 1p14 s ILE 1019Cb 0.06 -1.47 -0.13 0.00 0.01 0.00 0.00 42.46 40.93 1p14 s ILE 1019CO 0.51 0.47 1.48 1.17 0.00 0.00 0.00 174.94 178.56 1p14 n LYS 1020N 4.22 2.16 0.00 2.79 4.81 -1.26 -1.73 118.16 129.15 1p14 n LYS 1020Ca -0.19 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1p14 n LYS 1020Cb 0.51 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1p14 n LYS 1020CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p14 n GLY 1021N 2.48 2.16 2.88 3.14 0.00 -1.26 -5.05 105.19 109.55 1p14 n GLY 1021Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1p14 n GLY 1021CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p14 s GLU 1022N -0.99 0.94 0.21 1.61 -1.05 -0.71 -5.03 118.70 113.68 1p14 s GLU 1022Ca 0.00 -0.11 -0.09 0.00 -0.15 0.00 0.00 54.97 54.63 1p14 s GLU 1022Cb 0.00 -1.00 0.27 0.00 -0.44 0.00 0.00 34.13 32.96 1p14 s GLU 1022CO 0.00 -0.14 1.80 0.00 0.95 0.00 0.00 175.26 177.87 1p14 h ALA 1023N 7.51 0.92 -3.06 -0.84 0.00 -1.95 -3.37 119.26 118.46 1p14 h ALA 1023Ca -0.32 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 1p14 h ALA 1023Cb 1.15 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.61 1p14 h ALA 1023CO 0.42 0.02 -0.58 -1.83 0.00 0.00 0.00 179.25 177.28 1p14 s GLU 1024N -6.08 0.31 -0.04 0.00 -1.05 -1.26 -0.69 118.70 109.89 1p14 s GLU 1024Ca -0.13 -0.27 0.04 0.00 -0.15 0.00 0.00 54.97 54.46 1p14 s GLU 1024Cb 0.17 0.13 -0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1p14 s GLU 1024CO 0.76 -0.06 -0.17 0.99 0.95 0.00 0.00 175.26 177.73 1p14 s THR 1025N -0.92 1.39 0.18 1.83 2.01 0.57 -4.94 115.64 115.76 1p14 s THR 1025Ca -0.10 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1p14 s THR 1025Cb -0.06 -1.19 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 1p14 s THR 1025CO 0.00 0.40 1.15 -0.13 -0.69 0.00 0.00 174.62 175.35 1p14 s ARG 1026N 0.03 4.54 0.14 4.92 0.52 -1.26 -0.29 118.95 127.55 1p14 s ARG 1026Ca -0.03 1.80 -0.01 0.00 -0.52 0.00 0.00 55.73 56.96 1p14 s ARG 1026Cb -0.11 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1p14 s ARG 1026CO 0.02 -0.01 0.07 0.14 0.02 0.00 0.00 175.30 175.54 1p14 s VAL 1027N -0.13 0.09 -0.10 3.52 -7.23 -0.51 -3.74 120.40 112.29 1p14 s VAL 1027Ca 0.51 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1p14 s VAL 1027Cb -0.31 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1p14 s VAL 1027CO 0.36 -0.42 -0.03 0.00 -0.31 0.00 0.00 175.10 174.70 1p14 s ALA 1028N -4.06 3.09 -0.19 1.32 0.00 -0.57 -0.36 121.76 120.99 1p14 s ALA 1028Ca 0.25 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1p14 s ALA 1028Cb 0.07 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.80 1p14 s ALA 1028CO 0.03 0.45 -0.15 0.08 0.00 0.00 0.00 175.76 176.17 1p14 s VAL 1029N -0.43 1.90 0.15 0.00 1.01 0.23 -0.45 120.40 122.82 1p14 s VAL 1029Ca 0.07 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1p14 s VAL 1029Cb -0.12 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 1p14 s VAL 1029CO 0.02 0.33 0.60 -0.54 0.00 0.00 0.00 175.10 175.51 1p14 s LYS 1030N 1.31 4.09 0.28 2.72 1.02 0.19 -0.47 119.74 128.88 1p14 s LYS 1030Ca 0.01 0.63 0.02 0.00 0.02 0.00 0.00 55.97 56.65 1p14 s LYS 1030Cb -0.15 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1p14 s LYS 1030CO -0.10 0.48 0.13 0.95 -0.92 0.00 0.00 175.35 175.89 1p14 s THR 1031N -1.42 0.43 -0.07 2.17 -4.23 -1.01 -1.69 115.64 109.82 1p14 s THR 1031Ca 0.38 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1p14 s THR 1031Cb -0.16 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1p14 s THR 1031CO 0.20 0.00 -0.17 0.54 -0.54 0.00 0.00 174.62 174.65 1p14 s VAL 1032N -3.69 2.82 0.43 2.29 0.11 -1.26 -2.89 120.40 118.21 1p14 s VAL 1032Ca 0.37 -0.79 -0.21 0.00 -2.93 0.00 0.00 61.98 58.41 1p14 s VAL 1032Cb 0.06 -2.11 -0.13 0.00 -1.53 0.00 0.00 36.38 32.67 1p14 s VAL 1032CO 0.15 0.57 0.37 0.59 -3.33 0.00 0.00 175.10 173.45 1p14 n ASN 1033N 2.77 -1.64 0.20 3.54 5.03 0.15 -4.85 115.26 120.46 1p14 n ASN 1033Ca -0.17 0.85 0.06 0.00 0.87 0.00 0.00 54.58 56.19 1p14 n ASN 1033Cb 0.52 -1.03 0.44 0.00 -1.02 0.00 0.00 39.78 38.69 1p14 n ASN 1033CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 1p14 h GLU 1034N 0.56 0.00 -0.00 3.52 -0.00 -1.99 -2.54 114.58 114.13 1p14 h GLU 1034Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 1p14 h GLU 1034Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.17 1p14 h GLU 1034CO 0.49 0.31 -0.04 0.43 -0.00 0.00 0.00 179.01 180.20 1p14 n SER 1035N -3.80 0.14 -4.77 3.06 7.64 -1.26 -4.90 113.62 109.73 1p14 n SER 1035Ca -0.01 -0.22 -0.40 0.00 1.01 0.00 0.00 58.87 59.24 1p14 n SER 1035Cb 0.40 -0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1p14 n SER 1035CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p14 s ALA 1036N -2.58 3.29 0.78 -0.43 0.00 -0.96 -5.00 121.76 116.85 1p14 s ALA 1036Ca 0.27 1.47 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 1p14 s ALA 1036Cb 0.20 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.79 1p14 s ALA 1036CO 0.48 -1.16 1.11 -1.54 0.00 0.00 0.00 175.76 174.65 1p14 s SER 1037N -0.47 4.72 0.22 0.00 1.04 -1.26 -4.85 113.70 113.10 1p14 s SER 1037Ca 0.60 1.15 -0.09 0.00 0.48 0.00 0.00 55.95 58.09 1p14 s SER 1037Cb -0.44 -1.86 0.22 0.00 0.10 0.00 0.00 66.02 64.04 1p14 s SER 1037CO 0.57 -1.81 1.87 0.25 0.98 0.00 0.00 173.24 175.10 1p14 h LEU 1038N -0.98 0.83 -0.76 2.42 6.46 -1.99 -1.01 115.31 120.27 1p14 h LEU 1038Ca -0.47 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.34 1p14 h LEU 1038Cb 1.28 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.96 1p14 h LEU 1038CO 0.62 0.58 0.46 -0.09 -0.62 0.00 0.00 178.44 179.38 1p14 h ARG 1039N 0.98 0.82 -0.21 1.25 2.43 -1.97 -1.25 114.38 116.44 1p14 h ARG 1039Ca 0.31 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 1p14 h ARG 1039Cb -0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1p14 h ARG 1039CO -0.11 0.54 -0.38 0.93 -1.51 0.00 0.00 179.97 179.45 1p14 h GLU 1040N 0.85 0.47 -0.38 0.20 5.08 -1.71 -1.17 114.58 117.91 1p14 h GLU 1040Ca 0.33 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1p14 h GLU 1040Cb 0.15 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1p14 h GLU 1040CO -0.16 0.78 -0.06 0.00 -1.00 0.00 0.00 179.01 178.56 1p14 h ARG 1041N 0.39 0.64 -0.26 2.33 3.08 -0.48 -0.78 114.38 119.31 1p14 h ARG 1041Ca 0.04 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 1p14 h ARG 1041Cb 0.84 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1p14 h ARG 1041CO 0.07 0.71 -0.27 0.82 -1.07 0.00 0.00 179.97 180.22 1p14 h ILE 1042N 0.60 1.31 -0.77 2.04 2.04 -0.92 -2.69 117.51 119.11 1p14 h ILE 1042Ca 0.11 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1p14 h ILE 1042Cb 0.47 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 1p14 h ILE 1042CO 0.02 0.46 0.51 -0.33 0.00 0.00 0.00 178.15 178.81 1p14 h GLU 1043N 0.37 1.00 -0.08 2.37 5.08 -0.88 0.97 114.58 123.40 1p14 h GLU 1043Ca 0.04 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1p14 h GLU 1043Cb 0.84 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1p14 h GLU 1043CO 0.07 0.66 -0.00 0.35 -1.00 0.00 0.00 179.01 179.09 1p14 h PHE 1044N 1.03 -0.01 -0.21 4.33 3.57 -1.00 -1.37 116.94 123.28 1p14 h PHE 1044Ca 0.29 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 1p14 h PHE 1044Cb -0.09 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1p14 h PHE 1044CO -0.00 -0.01 -0.35 1.25 -2.23 0.00 0.00 178.31 176.97 1p14 h LEU 1045N 0.02 0.47 -1.11 0.59 5.85 -1.06 -2.84 115.31 117.24 1p14 h LEU 1045Ca 0.04 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1p14 h LEU 1045Cb 0.05 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1p14 h LEU 1045CO -0.07 0.79 0.23 0.78 -0.34 0.00 0.00 178.44 179.83 1p14 h ASN 1046N 0.39 0.79 -0.28 1.25 2.35 -0.42 -1.55 115.58 118.11 1p14 h ASN 1046Ca 0.04 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1p14 h ASN 1046Cb 0.79 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1p14 h ASN 1046CO 0.06 0.71 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.11 1p14 h GLU 1047N 0.85 0.70 -0.25 0.81 5.08 -1.03 -2.27 114.58 118.46 1p14 h GLU 1047Ca 0.20 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1p14 h GLU 1047Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1p14 h GLU 1047CO -0.02 0.79 0.15 0.00 -1.00 0.00 0.00 179.01 178.94 1p14 h ALA 1048N 1.24 0.32 -0.83 3.43 0.00 -1.20 -1.82 119.26 120.40 1p14 h ALA 1048Ca 0.11 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1p14 h ALA 1048Cb 0.57 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1p14 h ALA 1048CO 0.04 -0.17 0.48 1.03 0.00 0.00 0.00 179.25 180.62 1p14 h SER 1049N 0.32 0.69 -0.59 0.00 0.87 -0.97 -1.27 113.55 112.58 1p14 h SER 1049Ca 0.09 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1p14 h SER 1049Cb 0.02 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1p14 h SER 1049CO -0.02 0.39 0.24 0.58 -0.53 0.00 0.00 176.83 177.50 1p14 h VAL 1050N 0.80 1.22 0.00 2.23 2.07 -0.88 -2.33 116.25 119.37 1p14 h VAL 1050Ca 0.40 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1p14 h VAL 1050Cb 0.36 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1p14 h VAL 1050CO -0.25 0.28 0.00 0.23 0.02 0.00 0.00 177.57 177.86 1p14 n MET 1051N -4.31 0.14 0.24 1.57 2.81 -0.50 -2.29 117.12 114.78 1p14 n MET 1051Ca 0.05 0.45 0.07 0.00 -1.81 0.00 0.00 57.70 56.46 1p14 n MET 1051Cb 0.17 -1.81 0.57 0.00 -0.71 0.00 0.00 33.22 31.44 1p14 n MET 1051CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1p14 h LYS 1052N 0.00 0.00 -0.00 0.03 1.57 -1.23 -2.51 116.57 114.43 1p14 h LYS 1052Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p14 h LYS 1052Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1p14 h LYS 1052CO 0.00 0.15 -0.03 0.41 -0.57 0.00 0.00 179.45 179.42 1p14 n GLY 1053N -1.00 -0.98 3.76 3.86 0.00 -0.97 -4.82 105.19 105.03 1p14 n GLY 1053Ca -0.02 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1p14 n GLY 1053CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p14 s PHE 1054N -2.27 3.45 -0.14 1.61 0.08 -0.95 -4.98 117.98 114.79 1p14 s PHE 1054Ca 0.37 0.41 0.22 0.00 0.12 0.00 0.00 56.93 58.05 1p14 s PHE 1054Cb 0.21 -2.15 0.46 0.00 -0.57 0.00 0.00 43.02 40.97 1p14 s PHE 1054CO 0.42 0.36 1.15 0.25 -0.10 0.00 0.00 175.22 177.30 1p14 n THR 1055N 3.25 0.89 -3.31 0.64 -2.24 -1.26 -4.80 114.28 107.44 1p14 n THR 1055Ca -0.16 -2.19 -0.38 0.00 -2.27 0.00 0.00 64.05 59.05 1p14 n THR 1055Cb 0.52 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 1p14 n THR 1055CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p14 h HIS 1057N 5.26 0.00 -0.49 0.00 2.76 -1.96 -2.90 115.15 117.82 1p14 h HIS 1057Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1p14 h HIS 1057Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1p14 h HIS 1057CO 0.67 0.12 0.00 0.72 -1.30 0.00 0.00 177.93 178.14 1p14 n HIS 1058N -3.42 1.73 -4.26 5.26 8.25 -1.26 -4.83 115.22 116.68 1p14 n HIS 1058Ca -0.01 -0.76 -0.22 0.00 -0.26 0.00 0.00 57.72 56.47 1p14 n HIS 1058Cb 0.29 -0.44 -0.16 0.00 1.12 0.00 0.00 29.99 30.80 1p14 n HIS 1058CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1p14 s VAL 1059N -2.72 0.72 0.05 1.59 1.01 -1.10 -0.92 120.40 119.04 1p14 s VAL 1059Ca 0.51 -0.22 -0.33 0.00 0.00 0.00 0.00 61.98 61.93 1p14 s VAL 1059Cb 0.39 -0.72 -0.12 0.00 0.00 0.00 0.00 36.38 35.93 1p14 s VAL 1059CO 0.15 0.27 1.76 0.52 0.00 0.00 0.00 175.10 177.79 1p14 n VAL 1060N 4.05 0.32 -3.68 2.92 0.31 -0.02 -4.69 118.33 117.54 1p14 n VAL 1060Ca -0.23 -0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 1p14 n VAL 1060Cb 0.51 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 1p14 n VAL 1060CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1p14 s ARG 1061N 2.60 3.58 0.28 5.55 0.52 -1.26 -4.94 118.95 125.28 1p14 s ARG 1061Ca 0.85 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.60 1p14 s ARG 1061Cb -0.64 -2.85 -0.09 0.00 0.52 0.00 0.00 34.95 31.89 1p14 s ARG 1061CO 0.43 0.44 1.02 -1.17 0.02 0.00 0.00 175.30 176.04 1p14 s LEU 1062N -2.89 4.51 -0.02 2.53 2.96 -1.26 -1.34 118.68 123.17 1p14 s LEU 1062Ca 0.40 2.08 0.02 0.00 -0.22 0.00 0.00 54.13 56.41 1p14 s LEU 1062Cb -0.12 -3.73 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 1p14 s LEU 1062CO 0.26 -0.07 0.01 0.18 -1.32 0.00 0.00 176.35 175.42 1p14 n LEU 1063N 1.07 0.01 -3.61 -0.68 4.77 0.12 -4.86 117.00 113.82 1p14 n LEU 1063Ca -0.00 -0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1p14 n LEU 1063Cb 0.47 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1p14 n LEU 1063CO 0.50 0.06 1.07 -0.83 -1.33 0.00 0.00 177.39 176.86 1p14 s GLY 1064N -3.29 -0.37 0.00 -0.72 0.00 -0.91 -4.99 107.32 97.04 1p14 s GLY 1064Ca -0.01 1.11 0.02 0.00 0.00 0.00 0.00 44.72 45.83 1p14 s GLY 1064CO 0.10 0.30 -0.05 0.14 0.00 0.00 0.00 173.10 173.58 1p14 s VAL 1065N -2.35 0.42 -0.34 1.40 1.01 -0.44 -0.23 120.40 119.86 1p14 s VAL 1065Ca 0.13 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1p14 s VAL 1065Cb 0.03 -0.38 0.10 0.00 0.00 0.00 0.00 36.38 36.12 1p14 s VAL 1065CO -0.04 0.01 0.05 -0.69 0.00 0.00 0.00 175.10 174.43 1p14 s VAL 1066N -0.36 2.37 -1.57 2.92 1.01 0.27 -0.17 120.40 124.87 1p14 s VAL 1066Ca -0.00 -2.24 0.13 0.00 0.00 0.00 0.00 61.98 59.87 1p14 s VAL 1066Cb -0.03 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.73 1p14 s VAL 1066CO -0.00 -0.55 0.88 -1.54 0.00 0.00 0.00 175.10 173.90 1p14 n SER 1067N 4.30 1.97 -4.54 3.32 3.41 -1.26 -1.59 113.62 119.24 1p14 n SER 1067Ca 0.01 -1.49 -0.43 0.00 -0.26 0.00 0.00 58.87 56.71 1p14 n SER 1067Cb 0.42 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1p14 n SER 1067CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1p14 s LYS 1068N -1.20 3.41 0.69 4.33 3.01 -1.26 -4.89 119.74 123.83 1p14 s LYS 1068Ca 0.15 -0.10 0.00 0.00 -1.01 0.00 0.00 55.97 55.01 1p14 s LYS 1068Cb 0.11 -4.00 0.00 0.00 -1.01 0.00 0.00 37.83 32.93 1p14 s LYS 1068CO 0.19 -1.38 0.00 0.41 0.51 0.00 0.00 175.35 175.08 1p14 n GLY 1069N 5.05 -2.17 3.42 -3.33 0.00 -1.26 -4.95 105.19 101.96 1p14 n GLY 1069Ca 0.03 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1p14 n GLY 1069CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p14 s GLN 1070N -0.30 1.53 0.39 1.61 -1.52 -1.26 -4.10 119.66 116.01 1p14 s GLN 1070Ca 0.00 -1.29 -0.16 0.00 -1.95 0.00 0.00 55.36 51.96 1p14 s GLN 1070Cb 0.00 -1.97 -0.09 0.00 -0.22 0.00 0.00 33.01 30.73 1p14 s GLN 1070CO 0.00 0.46 0.83 -1.25 -0.25 0.00 0.00 175.29 175.08 1p14 s PRO 1071N -2.08 4.02 0.23 2.91 0.04 -1.26 -5.12 135.00 133.74 1p14 s PRO 1071Ca 0.15 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 1p14 s PRO 1071Cb -0.10 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1p14 s PRO 1071CO 0.07 0.02 1.31 0.99 0.04 0.00 0.00 177.00 179.44 1p14 s THR 1072N -2.18 3.08 -0.06 1.26 2.01 -1.26 -4.95 115.64 113.54 1p14 s THR 1072Ca 0.56 0.93 0.04 0.00 0.31 0.00 0.00 61.69 63.54 1p14 s THR 1072Cb -0.10 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1p14 s THR 1072CO 0.20 0.16 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.35 1p14 s LEU 1073N -0.54 1.91 -0.25 4.42 1.43 -0.62 -4.36 118.68 120.67 1p14 s LEU 1073Ca 0.55 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1p14 s LEU 1073Cb -0.37 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 44.80 1p14 s LEU 1073CO 0.42 0.14 -0.07 -0.69 0.23 0.00 0.00 176.35 176.37 1p14 s VAL 1074N 0.22 2.73 -0.25 -1.59 1.01 -0.68 -0.57 120.40 121.27 1p14 s VAL 1074Ca -0.09 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 1p14 s VAL 1074Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1p14 s VAL 1074CO 0.04 0.16 0.47 -0.69 0.00 0.00 0.00 175.10 175.08 1p14 s VAL 1075N 1.28 5.11 0.37 2.92 1.01 0.68 -0.64 120.40 131.14 1p14 s VAL 1075Ca -0.01 0.80 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1p14 s VAL 1075Cb -0.17 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1p14 s VAL 1075CO -0.05 0.13 0.03 -0.04 0.00 0.00 0.00 175.10 175.17 1p14 s MET 1076N 2.07 2.05 0.43 2.72 -1.94 0.40 0.11 119.30 125.15 1p14 s MET 1076Ca 0.20 -1.87 -0.24 0.00 -1.71 0.00 0.00 55.69 52.07 1p14 s MET 1076Cb -0.16 -1.85 -0.08 0.00 2.01 0.00 0.00 34.83 34.76 1p14 s MET 1076CO 0.09 0.04 1.17 -1.83 -0.01 0.00 0.00 175.02 174.49 1p14 s GLU 1077N -3.74 3.88 0.14 2.03 -1.05 -0.45 -1.51 118.70 118.00 1p14 s GLU 1077Ca 0.36 1.82 -0.26 0.00 -0.15 0.00 0.00 54.97 56.74 1p14 s GLU 1077Cb 0.03 -2.52 -0.07 0.00 -0.44 0.00 0.00 34.13 31.12 1p14 s GLU 1077CO 0.19 -0.46 0.79 -1.17 0.95 0.00 0.00 175.26 175.56 1p14 s LEU 1078N -2.80 4.56 -0.65 1.83 2.96 -1.25 -4.33 118.68 119.01 1p14 s LEU 1078Ca 0.61 1.62 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1p14 s LEU 1078Cb -0.30 -3.30 0.17 0.00 0.50 0.00 0.00 46.19 43.26 1p14 s LEU 1078CO 0.37 0.15 0.47 -0.04 -1.32 0.00 0.00 176.35 175.98 1p14 s MET 1079N -0.86 2.60 0.55 1.98 -1.94 -1.26 -4.75 119.30 115.62 1p14 s MET 1079Ca 0.37 -2.65 0.36 0.00 -1.71 0.00 0.00 55.69 52.05 1p14 s MET 1079Cb -0.23 -3.72 1.53 0.00 2.01 0.00 0.00 34.83 34.43 1p14 s MET 1079CO 0.26 -1.18 1.81 0.00 -0.01 0.00 0.00 175.02 175.90 1p14 h ALA 1080N 6.81 3.05 -0.58 3.03 0.00 -1.82 -1.08 119.26 128.68 1p14 h ALA 1080Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1p14 h ALA 1080Cb 0.93 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1p14 h ALA 1080CO 0.72 -1.39 0.00 0.72 0.00 0.00 0.00 179.25 179.30 1p14 n HIS 1081N -4.16 0.95 -4.51 0.00 8.25 -0.13 -4.94 115.22 110.69 1p14 n HIS 1081Ca 0.24 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1p14 n HIS 1081Cb 1.19 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 32.23 1p14 n HIS 1081CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p14 n GLY 1082N 1.30 -0.53 3.77 -1.41 0.00 -0.41 -4.56 105.19 103.35 1p14 n GLY 1082Ca 0.21 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1p14 n GLY 1082CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1p14 s ASP 1083N -4.00 5.15 0.27 1.61 -4.77 -1.26 -0.27 116.67 113.40 1p14 s ASP 1083Ca 0.00 2.00 -0.01 0.00 -3.30 0.00 0.00 52.55 51.24 1p14 s ASP 1083Cb 0.00 -2.55 0.38 0.00 -1.09 0.00 0.00 42.92 39.66 1p14 s ASP 1083CO 0.00 -1.60 1.77 0.25 0.70 0.00 0.00 175.17 176.30 1p14 h LEU 1084N 0.08 0.71 0.35 2.11 5.85 -0.16 -2.28 115.31 121.97 1p14 h LEU 1084Ca -0.47 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 1p14 h LEU 1084Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1p14 h LEU 1084CO 0.54 0.78 -0.17 0.50 -0.34 0.00 0.00 178.44 179.75 1p14 h LYS 1085N 0.69 -0.46 -0.29 1.25 3.64 -1.76 0.52 116.57 120.15 1p14 h LYS 1085Ca 0.14 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1p14 h LYS 1085Cb 0.44 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1p14 h LYS 1085CO 0.02 -0.31 0.08 0.77 -2.27 0.00 0.00 179.45 177.74 1p14 h SER 1086N -0.48 0.06 -0.25 4.20 0.02 -1.88 -1.56 113.55 113.67 1p14 h SER 1086Ca -0.05 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1p14 h SER 1086Cb 0.37 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1p14 h SER 1086CO 0.08 0.07 -0.03 0.22 -1.14 0.00 0.00 176.83 176.03 1p14 h TYR 1087N 0.20 -0.06 -0.30 3.45 3.20 -1.23 -2.06 116.97 120.16 1p14 h TYR 1087Ca 0.13 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1p14 h TYR 1087Cb 0.12 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1p14 h TYR 1087CO -0.15 -0.07 0.10 -0.07 -1.64 0.00 0.00 178.16 176.33 1p14 h LEU 1088N 0.04 0.10 -2.45 2.82 3.38 -0.55 -1.85 115.31 116.80 1p14 h LEU 1088Ca 0.12 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1p14 h LEU 1088Cb 0.17 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1p14 h LEU 1088CO -0.22 0.09 0.00 0.03 0.09 0.00 0.00 178.44 178.43 1p14 h ARG 1089N 0.23 0.00 0.00 1.13 3.08 -0.93 -1.17 114.38 116.72 1p14 h ARG 1089Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1p14 h ARG 1089Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1p14 h ARG 1089CO -0.15 0.00 -0.03 -1.13 -1.07 0.00 0.00 179.97 177.59 1p14 n SER 1090N -3.07 0.69 -0.65 7.04 3.41 -0.70 -2.97 113.62 117.37 1p14 n SER 1090Ca -0.02 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1p14 n SER 1090Cb 0.15 -0.70 0.38 0.00 -0.26 0.00 0.00 64.21 63.78 1p14 n SER 1090CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p14 n LEU 1091N -2.14 2.01 -4.77 1.04 4.77 -0.44 -3.63 117.00 113.84 1p14 n LEU 1091Ca 0.06 -0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 54.96 1p14 n LEU 1091Cb 0.42 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1p14 n LEU 1091CO 0.30 0.34 0.91 -0.13 -1.33 0.00 0.00 177.39 177.48 1p14 s ARG 1092N -1.99 4.13 0.33 3.23 0.52 -1.16 -4.45 118.95 119.57 1p14 s ARG 1092Ca 0.35 2.04 0.05 0.00 -0.52 0.00 0.00 55.73 57.65 1p14 s ARG 1092Cb 0.21 -2.83 0.69 0.00 0.52 0.00 0.00 34.95 33.53 1p14 s ARG 1092CO 0.32 -0.31 1.89 -1.00 0.02 0.00 0.00 175.30 176.21 1p14 h PRO 1093N 2.91 0.82 -0.02 3.54 0.13 -1.91 -0.87 132.00 136.60 1p14 h PRO 1093Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1p14 h PRO 1093Cb 1.24 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1p14 h PRO 1093CO 0.63 0.54 0.00 0.39 -0.23 0.00 0.00 178.00 179.34 1p14 n GLU 1094N -4.54 1.37 -1.69 0.86 4.71 -1.26 -4.91 120.64 115.18 1p14 n GLU 1094Ca 0.16 -0.54 -0.42 0.00 -0.01 0.00 0.00 57.16 56.35 1p14 n GLU 1094Cb 0.35 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 1p14 n GLU 1094CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1p14 n ALA 1095N -0.33 2.26 0.37 0.62 0.00 -0.33 -4.86 120.51 118.23 1p14 n ALA 1095Ca 0.20 0.32 0.13 0.00 0.00 0.00 0.00 53.44 54.09 1p14 n ALA 1095Cb 0.24 -2.60 0.55 0.00 0.00 0.00 0.00 19.45 17.64 1p14 n ALA 1095CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1p14 h GLU 1096N 8.50 0.00 -0.11 0.00 3.07 -1.91 -2.93 114.58 121.20 1p14 h GLU 1096Ca -0.46 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.32 1p14 h GLU 1096Cb 1.22 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.07 1p14 h GLU 1096CO 0.95 0.00 -0.54 0.27 -1.40 0.00 0.00 179.01 178.29 1p14 n ASN 1097N -2.44 2.18 -4.69 1.42 6.94 -1.26 -5.05 115.26 112.37 1p14 n ASN 1097Ca 0.02 -3.89 -0.42 0.00 -0.02 0.00 0.00 54.58 50.27 1p14 n ASN 1097Cb 0.24 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 1p14 n ASN 1097CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1p14 s ASN 1098N -3.28 6.42 0.00 0.53 3.84 -1.11 -4.84 114.94 116.50 1p14 s ASN 1098Ca 0.40 2.76 0.07 0.00 0.21 0.00 0.00 52.86 56.30 1p14 s ASN 1098Cb 0.38 -2.56 0.45 0.00 -0.55 0.00 0.00 41.25 38.96 1p14 s ASN 1098CO -0.05 -1.01 0.87 -0.81 -2.79 0.00 0.00 177.10 173.30 1p14 n PRO 1099N 5.88 0.43 -1.02 0.43 -0.04 -1.26 -4.79 135.00 134.63 1p14 n PRO 1099Ca 0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1p14 n PRO 1099Cb 0.38 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1p14 n PRO 1099CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p14 n GLY 1100N -0.11 0.48 3.63 0.55 0.00 -1.26 -5.03 105.19 103.44 1p14 n GLY 1100Ca 0.06 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1p14 n GLY 1100CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p14 s ARG 1101N -1.08 2.28 0.75 1.61 1.04 -1.26 -5.12 118.95 117.17 1p14 s ARG 1101Ca 0.00 -1.18 -0.11 0.00 -1.04 0.00 0.00 55.73 53.41 1p14 s ARG 1101Cb 0.00 -2.28 0.04 0.00 -2.04 0.00 0.00 34.95 30.68 1p14 s ARG 1101CO 0.00 0.44 1.08 -2.14 -0.04 0.00 0.00 175.30 174.64 1p14 s PRO 1102N -2.93 2.43 1.14 3.89 0.02 -1.26 -4.95 135.00 133.33 1p14 s PRO 1102Ca 0.27 1.03 -0.13 0.00 0.02 0.00 0.00 61.00 62.19 1p14 s PRO 1102Cb -0.09 -1.93 0.27 0.00 0.02 0.00 0.00 34.50 32.77 1p14 s PRO 1102CO 0.17 -1.48 1.04 -2.14 -0.33 0.00 0.00 177.00 174.26 1p14 s PRO 1103N -4.97 -0.73 0.24 5.54 0.02 -1.26 -4.88 135.00 128.96 1p14 s PRO 1103Ca 0.60 0.85 -0.31 0.00 0.02 0.00 0.00 61.00 62.16 1p14 s PRO 1103Cb -0.16 -1.57 -0.13 0.00 0.02 0.00 0.00 34.50 32.66 1p14 s PRO 1103CO 0.56 -3.60 1.53 -2.30 -0.33 0.00 0.00 177.00 172.85 1p14 n PRO 1104N -4.83 2.36 -1.95 5.54 -0.02 -1.26 -4.99 135.00 129.85 1p14 n PRO 1104Ca 0.04 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 62.07 1p14 n PRO 1104Cb 0.54 -2.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.51 1p14 n PRO 1104CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p14 s THR 1105N 0.23 2.65 0.21 3.45 -4.23 -1.26 -4.82 115.64 111.87 1p14 s THR 1105Ca 0.69 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1p14 s THR 1105Cb -0.58 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.21 1p14 s THR 1105CO 0.46 -0.25 1.79 0.25 -0.54 0.00 0.00 174.62 176.32 1p14 h LEU 1106N -0.83 0.46 -0.37 4.79 5.85 -1.99 0.00 115.31 123.23 1p14 h LEU 1106Ca -0.45 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.36 1p14 h LEU 1106Cb 1.30 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1p14 h LEU 1106CO 0.64 0.29 0.11 -0.61 -0.34 0.00 0.00 178.44 178.53 1p14 h GLN 1107N 0.61 0.24 -0.38 1.25 4.15 -1.96 0.23 115.11 119.25 1p14 h GLN 1107Ca 0.31 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.63 1p14 h GLN 1107Cb 0.26 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1p14 h GLN 1107CO -0.22 0.16 -0.10 0.93 -1.93 0.00 0.00 178.83 177.66 1p14 h GLU 1108N 0.25 0.66 -0.51 1.69 5.08 -1.73 -1.74 114.58 118.28 1p14 h GLU 1108Ca 0.17 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1p14 h GLU 1108Cb 0.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1p14 h GLU 1108CO -0.20 0.75 -0.16 0.52 -1.00 0.00 0.00 179.01 178.93 1p14 h MET 1109N 0.61 1.01 -0.43 2.33 2.86 -0.34 -0.66 114.93 120.31 1p14 h MET 1109Ca 0.11 -0.40 -0.10 0.00 -2.06 0.00 0.00 59.70 57.24 1p14 h MET 1109Cb 0.54 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1p14 h MET 1109CO 0.03 1.08 -0.15 0.82 1.06 0.00 0.00 176.91 179.76 1p14 h ILE 1110N 0.89 1.26 -0.37 -1.22 1.08 -0.80 -0.82 117.51 117.52 1p14 h ILE 1110Ca 0.13 -1.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.32 1p14 h ILE 1110Cb 0.73 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 1p14 h ILE 1110CO 0.06 0.42 0.08 -0.61 -0.69 0.00 0.00 178.15 177.41 1p14 h GLN 1111N 0.72 0.60 -0.68 2.37 5.75 -1.10 -1.31 115.11 121.47 1p14 h GLN 1111Ca 0.11 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1p14 h GLN 1111Cb 0.65 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 1p14 h GLN 1111CO 0.05 0.65 0.31 0.52 -2.65 0.00 0.00 178.83 177.70 1p14 h MET 1112N 0.46 1.00 -0.69 1.69 2.86 -0.93 -1.20 114.93 118.13 1p14 h MET 1112Ca 0.12 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1p14 h MET 1112Cb 0.32 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1p14 h MET 1112CO 0.00 0.81 0.35 0.00 1.06 0.00 0.00 176.91 179.13 1p14 h ALA 1113N 1.14 0.88 -0.48 6.32 0.00 -0.95 -1.24 119.26 124.94 1p14 h ALA 1113Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1p14 h ALA 1113Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1p14 h ALA 1113CO -0.02 0.43 -0.11 0.00 0.00 0.00 0.00 179.25 179.54 1p14 h ALA 1114N 1.17 0.66 -0.34 0.00 0.00 -0.93 -0.57 119.26 119.24 1p14 h ALA 1114Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1p14 h ALA 1114Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1p14 h ALA 1114CO -0.03 0.56 0.05 0.93 0.00 0.00 0.00 179.25 180.75 1p14 h GLU 1115N 0.76 0.56 -0.33 0.00 5.08 -1.01 0.12 114.58 119.75 1p14 h GLU 1115Ca 0.12 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1p14 h GLU 1115Cb 0.66 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1p14 h GLU 1115CO 0.05 0.65 0.10 0.82 -1.00 0.00 0.00 179.01 179.63 1p14 h ILE 1116N 0.39 1.21 -0.63 3.13 2.04 -1.20 -0.99 117.51 121.45 1p14 h ILE 1116Ca 0.10 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1p14 h ILE 1116Cb 0.36 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1p14 h ILE 1116CO 0.01 0.23 0.25 0.00 0.00 0.00 0.00 178.15 178.64 1p14 h ALA 1117N 0.94 1.26 -0.32 1.87 0.00 -0.95 -0.58 119.26 121.49 1p14 h ALA 1117Ca 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1p14 h ALA 1117Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p14 h ALA 1117CO -0.00 0.55 -0.00 0.22 0.00 0.00 0.00 179.25 180.01 1p14 h ASP 1118N 0.90 0.55 -0.64 0.00 -0.00 -0.45 0.20 116.42 116.98 1p14 h ASP 1118Ca 0.21 -0.31 -0.02 0.00 -0.00 0.00 0.00 57.03 56.91 1p14 h ASP 1118Cb 0.17 -0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 39.33 1p14 h ASP 1118CO -0.02 0.73 0.32 1.23 -0.00 0.00 0.00 179.24 181.50 1p14 h GLY 1119N 0.36 0.98 1.29 -0.78 0.00 -0.90 -1.16 103.07 102.85 1p14 h GLY 1119Ca 0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 1p14 h GLY 1119CO 0.02 0.45 0.02 -0.33 0.00 0.00 0.00 176.54 176.70 1p14 h MET 1120N 0.87 0.87 -0.83 4.80 2.86 -0.88 -1.68 114.93 120.95 1p14 h MET 1120Ca 0.22 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1p14 h MET 1120Cb 0.10 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1p14 h MET 1120CO -0.03 0.86 0.46 0.00 1.06 0.00 0.00 176.91 179.26 1p14 h ALA 1121N 1.21 1.26 -0.14 6.32 0.00 -0.14 -0.09 119.26 127.68 1p14 h ALA 1121Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1p14 h ALA 1121Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1p14 h ALA 1121CO 0.02 0.61 0.04 -0.92 0.00 0.00 0.00 179.25 178.99 1p14 h TYR 1122N 1.15 0.23 -0.91 0.00 3.20 -0.74 -0.23 116.97 119.67 1p14 h TYR 1122Ca 0.29 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1p14 h TYR 1122Cb 0.01 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1p14 h TYR 1122CO 0.01 0.36 0.57 -0.07 -1.64 0.00 0.00 178.16 177.39 1p14 h LEU 1123N 0.03 1.08 -0.90 2.82 3.38 -0.95 -0.79 115.31 119.99 1p14 h LEU 1123Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1p14 h LEU 1123Cb 0.25 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1p14 h LEU 1123CO -0.00 0.81 0.49 -1.13 0.09 0.00 0.00 178.44 178.70 1p14 h ASN 1124N 1.25 1.12 -0.08 -0.43 -0.00 -0.76 0.46 115.58 117.14 1p14 h ASN 1124Ca 0.33 -0.10 -0.06 0.00 -0.00 0.00 0.00 56.30 56.46 1p14 h ASN 1124Cb -0.08 -0.29 -0.01 0.00 -0.00 0.00 0.00 38.32 37.93 1p14 h ASN 1124CO -0.07 0.91 -0.12 0.00 -0.00 0.00 0.00 177.43 178.15 1p14 h ALA 1125N 1.26 1.34 -0.03 1.57 0.00 -0.11 -0.81 119.26 122.49 1p14 h ALA 1125Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p14 h ALA 1125Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1p14 h ALA 1125CO -0.05 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.28 1p14 n LYS 1126N -4.23 1.16 -2.65 0.00 4.76 -0.39 -4.90 118.16 111.92 1p14 n LYS 1126Ca 0.00 -0.24 -0.12 0.00 -2.87 0.00 0.00 58.31 55.08 1p14 n LYS 1126Cb 0.30 -1.36 0.02 0.00 -1.84 0.00 0.00 35.03 32.15 1p14 n LYS 1126CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1p14 n LYS 1127N -0.58 -2.53 -4.63 1.97 5.02 -0.31 -5.04 118.16 112.05 1p14 n LYS 1127Ca 0.16 0.47 -0.33 0.00 -2.02 0.00 0.00 58.31 56.59 1p14 n LYS 1127Cb 0.13 -4.42 -0.13 0.00 -0.02 0.00 0.00 35.03 30.60 1p14 n LYS 1127CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p14 s PHE 1128N -2.86 2.90 -0.19 2.13 0.40 0.07 -5.00 117.98 115.43 1p14 s PHE 1128Ca 0.16 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 1p14 s PHE 1128Cb -0.07 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 1p14 s PHE 1128CO 0.19 0.05 0.10 0.08 0.70 0.00 0.00 175.22 176.34 1p14 s VAL 1129N -0.12 5.14 -0.01 -0.44 1.01 -1.26 -3.85 120.40 120.88 1p14 s VAL 1129Ca 0.01 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1p14 s VAL 1129Cb -0.13 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.76 1p14 s VAL 1129CO 0.03 0.45 1.09 -0.74 0.00 0.00 0.00 175.10 175.93 1p14 h HIS 1130N 6.66 -0.42 0.00 5.22 2.76 -1.97 -3.45 115.15 123.94 1p14 h HIS 1130Ca -0.39 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1p14 h HIS 1130Cb 1.16 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.26 1p14 h HIS 1130CO 0.57 -0.08 0.00 0.54 -1.30 0.00 0.00 177.93 177.66 1p14 n ARG 1131N -5.12 0.00 -1.19 5.26 1.74 -1.26 -4.23 116.66 111.85 1p14 n ARG 1131Ca -0.09 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.02 1p14 n ARG 1131Cb 0.27 -2.03 0.03 0.00 -1.02 0.00 0.00 32.46 29.71 1p14 n ARG 1131CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1p14 n ASN 1132N 0.00 0.84 -4.71 0.55 4.13 -1.26 -5.04 115.26 109.77 1p14 n ASN 1132Ca 0.00 -2.13 -0.42 0.00 1.68 0.00 0.00 54.58 53.71 1p14 n ASN 1132Cb 0.00 -0.29 -0.03 0.00 -1.54 0.00 0.00 39.78 37.92 1p14 n ASN 1132CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1p14 s LEU 1133N -0.25 4.37 -0.03 3.41 2.96 -1.26 -4.80 118.68 123.09 1p14 s LEU 1133Ca 0.27 2.70 -0.29 0.00 -0.22 0.00 0.00 54.13 56.59 1p14 s LEU 1133Cb 0.30 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.51 1p14 s LEU 1133CO -0.12 -0.90 0.90 0.00 -1.32 0.00 0.00 176.35 174.91 1p14 s ALA 1134N 1.53 -1.84 0.31 5.97 0.00 -1.26 -4.77 121.76 121.69 1p14 s ALA 1134Ca 0.73 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.83 1p14 s ALA 1134Cb -0.46 0.27 0.67 0.00 0.00 0.00 0.00 23.12 23.61 1p14 s ALA 1134CO 0.32 -0.64 1.84 0.00 0.00 0.00 0.00 175.76 177.28 1p14 h ALA 1135N 2.08 1.64 -0.00 0.00 0.00 -1.92 0.13 119.26 121.18 1p14 h ALA 1135Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1p14 h ALA 1135Cb 1.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1p14 h ALA 1135CO 0.31 0.09 0.00 0.07 0.00 0.00 0.00 179.25 179.72 1p14 h ARG 1136N 0.87 0.00 -0.18 0.00 -0.00 -1.95 -1.48 114.38 111.64 1p14 h ARG 1136Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.48 1p14 h ARG 1136Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.60 1p14 h ARG 1136CO -0.26 0.00 0.00 0.09 -0.00 0.00 0.00 179.97 179.80 1p14 n ASN 1137N -3.35 3.08 -4.85 0.08 3.02 0.42 -4.69 115.26 108.97 1p14 n ASN 1137Ca -0.03 -1.94 -0.31 0.00 -0.03 0.00 0.00 54.58 52.27 1p14 n ASN 1137Cb 0.07 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 1p14 n ASN 1137CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p14 s MET 1139N -2.44 1.41 -0.17 0.00 -1.94 0.11 0.08 119.30 116.35 1p14 s MET 1139Ca 0.32 -1.44 -0.01 0.00 -1.71 0.00 0.00 55.69 52.85 1p14 s MET 1139Cb -0.13 -1.69 -0.00 0.00 2.01 0.00 0.00 34.83 35.02 1p14 s MET 1139CO 0.25 0.37 -0.12 0.08 -0.01 0.00 0.00 175.02 175.58 1p14 s VAL 1140N -1.64 2.87 0.82 -6.03 1.01 0.62 -0.75 120.40 117.31 1p14 s VAL 1140Ca 0.17 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1p14 s VAL 1140Cb -0.08 -2.24 0.12 0.00 0.00 0.00 0.00 36.38 34.19 1p14 s VAL 1140CO 0.08 0.50 1.16 0.00 0.00 0.00 0.00 175.10 176.84 1p14 s ALA 1141N 0.92 2.79 0.45 5.51 0.00 0.18 -0.95 121.76 130.65 1p14 s ALA 1141Ca -0.03 -1.07 0.15 0.00 0.00 0.00 0.00 51.96 51.01 1p14 s ALA 1141Cb -0.15 -2.67 1.07 0.00 0.00 0.00 0.00 23.12 21.38 1p14 s ALA 1141CO -0.01 -1.81 2.00 1.12 0.00 0.00 0.00 175.76 177.07 1p14 h HIS 1142N -1.06 0.36 -0.55 0.00 2.07 -1.89 0.86 115.15 114.94 1p14 h HIS 1142Ca -0.44 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 1p14 h HIS 1142Cb 1.28 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1p14 h HIS 1142CO -0.26 0.18 0.00 -0.40 -3.07 0.00 0.00 177.93 174.38 1p14 n ASP 1143N -4.47 4.88 0.00 3.10 5.75 -1.26 -4.92 116.55 119.63 1p14 n ASP 1143Ca 0.08 -2.65 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 1p14 n ASP 1143Cb 0.35 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1p14 n ASP 1143CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1p14 n PHE 1144N 0.76 0.00 -2.08 2.11 3.01 0.30 -5.00 117.46 116.56 1p14 n PHE 1144Ca 0.24 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.29 1p14 n PHE 1144Cb 0.98 -0.80 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1p14 n PHE 1144CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1p14 s THR 1145N -1.76 2.83 -0.13 4.37 2.01 -1.26 -4.63 115.64 117.07 1p14 s THR 1145Ca 0.00 0.69 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 1p14 s THR 1145Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1p14 s THR 1145CO 0.00 0.11 0.20 -0.69 -0.69 0.00 0.00 174.62 173.54 1p14 s VAL 1146N 0.01 5.39 0.09 3.82 1.01 -1.26 -0.65 120.40 128.81 1p14 s VAL 1146Ca 0.58 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1p14 s VAL 1146Cb -0.40 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1p14 s VAL 1146CO 0.42 0.54 -0.08 -0.54 0.00 0.00 0.00 175.10 175.44 1p14 s LYS 1147N -0.50 0.77 0.10 2.72 1.02 0.07 -4.43 119.74 119.49 1p14 s LYS 1147Ca 0.15 -1.18 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 1p14 s LYS 1147Cb -0.13 -0.29 -0.07 0.00 -0.52 0.00 0.00 37.83 36.83 1p14 s LYS 1147CO 0.04 0.02 1.27 0.42 -0.92 0.00 0.00 175.35 176.17 1p14 s ILE 1148N -2.91 3.70 0.00 2.17 -1.09 -0.09 -0.71 121.20 122.26 1p14 s ILE 1148Ca 0.06 1.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.73 1p14 s ILE 1148Cb 0.00 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1p14 s ILE 1148CO -0.03 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 1p14 n GLY 1149N 3.13 0.61 3.83 6.18 0.00 -0.73 -0.84 105.19 117.38 1p14 n GLY 1149Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1p14 n GLY 1149CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p14 s ASP 1150N -1.00 6.57 -0.05 1.61 1.01 -1.26 -4.72 116.67 118.82 1p14 s ASP 1150Ca 0.00 1.65 -0.29 0.00 0.71 0.00 0.00 52.55 54.62 1p14 s ASP 1150Cb 0.00 -2.52 0.11 0.00 1.01 0.00 0.00 42.92 41.51 1p14 s ASP 1150CO 0.00 -0.62 0.89 0.72 0.21 0.00 0.00 175.17 176.37 1p14 s PHE 1151N -2.46 -0.39 0.00 4.23 -0.12 -1.26 -4.99 117.98 112.99 1p14 s PHE 1151Ca 0.61 0.43 0.00 0.00 -0.05 0.00 0.00 56.93 57.92 1p14 s PHE 1151Cb -0.11 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1p14 s PHE 1151CO 0.27 -0.50 0.41 0.41 -0.05 0.00 0.00 175.22 175.77 1p14 n GLY 1152N 0.16 -1.19 0.00 1.99 0.00 -1.26 -5.13 105.19 99.76 1p14 n GLY 1152Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1p14 n GLY 1152CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p14 n PRO 1172N -1.29 0.00 -0.31 1.61 -0.04 -1.26 -5.10 135.00 128.61 1p14 n PRO 1172Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1p14 n PRO 1172Cb 0.00 0.00 0.34 0.00 -0.04 0.00 0.00 33.50 33.80 1p14 n PRO 1172CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1p14 h VAL 1173N 0.00 0.22 0.00 0.52 2.07 -1.97 -0.82 116.25 116.27 1p14 h VAL 1173Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1p14 h VAL 1173Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1p14 h VAL 1173CO 0.00 0.03 0.00 0.54 0.02 0.00 0.00 177.57 178.16 1p14 n ARG 1174N -5.26 0.09 0.00 1.57 1.74 -1.26 -2.39 116.66 111.15 1p14 n ARG 1174Ca 0.25 0.23 0.01 0.00 -0.77 0.00 0.00 57.85 57.57 1p14 n ARG 1174Cb 0.80 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 1p14 n ARG 1174CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1p14 n TRP 1175N -1.39 0.00 -3.21 -1.55 8.01 -0.33 -4.95 117.44 114.02 1p14 n TRP 1175Ca 0.05 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.87 1p14 n TRP 1175Cb 0.12 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.36 1p14 n TRP 1175CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1p14 s MET 1176N -0.34 4.19 0.60 -0.99 -1.94 -1.01 -3.87 119.30 115.94 1p14 s MET 1176Ca 0.03 0.75 -0.17 0.00 -1.71 0.00 0.00 55.69 54.59 1p14 s MET 1176Cb 0.02 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 1p14 s MET 1176CO 0.04 0.50 1.10 0.00 -0.01 0.00 0.00 175.02 176.65 1p14 s ALA 1177N -1.35 2.63 0.26 3.03 0.00 -1.26 -4.83 121.76 120.23 1p14 s ALA 1177Ca 0.37 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1p14 s ALA 1177Cb -0.18 -3.30 0.47 0.00 0.00 0.00 0.00 23.12 20.11 1p14 s ALA 1177CO 0.20 -0.94 1.81 -1.00 0.00 0.00 0.00 175.76 175.84 1p14 h PRO 1178N 0.58 0.83 -0.02 0.00 0.13 -1.91 -1.13 132.00 130.48 1p14 h PRO 1178Ca -0.48 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1p14 h PRO 1178Cb 1.24 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1p14 h PRO 1178CO 0.56 0.55 -0.26 1.05 -0.23 0.00 0.00 178.00 179.67 1p14 h GLU 1179N 0.85 0.03 -0.17 0.86 9.09 -1.90 0.67 114.58 124.01 1p14 h GLU 1179Ca 0.44 -0.01 -0.17 0.00 0.05 0.00 0.00 59.36 59.68 1p14 h GLU 1179Cb 0.44 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.55 1p14 h GLU 1179CO -0.27 0.29 -0.55 0.77 0.05 0.00 0.00 179.01 179.30 1p14 h SER 1180N 0.03 0.78 0.18 3.06 0.02 -1.32 0.17 113.55 116.47 1p14 h SER 1180Ca 0.00 -0.60 -0.09 0.00 -0.84 0.00 0.00 61.79 60.27 1p14 h SER 1180Cb 0.47 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1p14 h SER 1180CO 0.03 1.24 -0.32 -0.07 -1.14 0.00 0.00 176.83 176.57 1p14 h LEU 1181N 0.36 0.22 0.00 5.07 3.38 -0.78 0.78 115.31 124.34 1p14 h LEU 1181Ca -0.02 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1p14 h LEU 1181Cb 1.17 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1p14 h LEU 1181CO 0.12 0.54 -0.61 0.50 0.09 0.00 0.00 178.44 179.08 1p14 h LYS 1182N 0.19 0.00 -0.19 1.13 3.64 -0.80 -3.41 116.57 117.14 1p14 h LYS 1182Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1p14 h LYS 1182Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1p14 h LYS 1182CO 0.05 0.75 0.00 -0.25 -2.27 0.00 0.00 179.45 177.73 1p14 n ASP 1183N -4.55 2.68 -1.84 4.20 8.00 0.60 -4.98 116.55 120.66 1p14 n ASP 1183Ca -0.18 -2.22 -0.20 0.00 0.71 0.00 0.00 54.79 52.89 1p14 n ASP 1183Cb 0.48 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 1p14 n ASP 1183CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p14 n GLY 1184N -0.13 1.21 3.67 0.44 0.00 0.27 -4.95 105.19 105.69 1p14 n GLY 1184Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1p14 n GLY 1184CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p14 s VAL 1185N -2.82 5.02 -0.11 1.61 -7.23 -1.23 -4.94 120.40 110.69 1p14 s VAL 1185Ca 0.00 1.25 0.03 0.00 -1.81 0.00 0.00 61.98 61.45 1p14 s VAL 1185Cb 0.00 -3.97 0.00 0.00 0.56 0.00 0.00 36.38 32.98 1p14 s VAL 1185CO 0.00 0.14 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.34 1p14 s PHE 1186N 1.70 2.61 0.31 2.82 0.40 -1.26 -3.59 117.98 120.97 1p14 s PHE 1186Ca 0.31 -1.09 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 1p14 s PHE 1186Cb -0.16 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 1p14 s PHE 1186CO 0.11 -0.45 0.36 0.95 0.70 0.00 0.00 175.22 176.89 1p14 s THR 1187N 0.46 0.00 0.47 0.64 -4.23 -1.26 -4.97 115.64 106.75 1p14 s THR 1187Ca -0.15 -1.78 0.27 0.00 -1.18 0.00 0.00 61.69 58.84 1p14 s THR 1187Cb -0.17 -2.54 0.30 0.00 1.34 0.00 0.00 72.50 71.43 1p14 s THR 1187CO 0.06 0.00 2.12 0.00 -0.54 0.00 0.00 174.62 176.26 1p14 h THR 1188N 2.20 0.60 -0.10 3.99 1.03 -1.99 -0.62 112.91 118.02 1p14 h THR 1188Ca -0.28 -0.38 -0.14 0.00 -0.01 0.00 0.00 66.41 65.60 1p14 h THR 1188Cb 1.24 1.24 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 1p14 h THR 1188CO 0.40 0.09 -0.55 -1.28 -0.01 0.00 0.00 175.52 174.16 1p14 h SER 1189N 0.00 0.34 1.21 0.00 0.87 -1.92 -0.90 113.55 113.14 1p14 h SER 1189Ca -0.00 -0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.26 1p14 h SER 1189Cb 0.23 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1p14 h SER 1189CO 0.01 0.82 -0.56 0.77 -0.53 0.00 0.00 176.83 177.34 1p14 h SER 1190N 0.23 0.00 -0.16 6.23 4.64 -1.53 -2.68 113.55 120.29 1p14 h SER 1190Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1p14 h SER 1190Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 1p14 h SER 1190CO 0.09 0.56 -0.14 0.44 -0.87 0.00 0.00 176.83 176.91 1p14 h ASP 1191N 0.00 0.53 -0.70 4.97 3.45 -0.75 -2.39 116.42 121.52 1p14 h ASP 1191Ca -0.01 -0.14 -0.05 0.00 0.43 0.00 0.00 57.03 57.26 1p14 h ASP 1191Cb 1.31 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.91 1p14 h ASP 1191CO 0.07 0.69 0.24 -0.03 -1.57 0.00 0.00 179.24 178.65 1p14 h MET 1192N 0.49 1.08 -0.22 3.56 4.05 -0.84 0.06 114.93 123.11 1p14 h MET 1192Ca 0.09 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1p14 h MET 1192Cb 0.53 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 1p14 h MET 1192CO 0.03 0.91 0.05 2.35 0.23 0.00 0.00 176.91 180.49 1p14 h TRP 1193N 1.02 0.08 -0.66 1.39 2.91 -1.23 -1.19 115.95 118.28 1p14 h TRP 1193Ca 0.23 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.26 1p14 h TRP 1193Cb 0.27 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 1p14 h TRP 1193CO 0.02 0.03 0.40 0.77 -1.03 0.00 0.00 178.44 178.63 1p14 h SER 1194N 0.14 0.77 -0.77 2.65 0.02 -1.03 -1.48 113.55 113.84 1p14 h SER 1194Ca 0.10 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1p14 h SER 1194Cb 0.09 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1p14 h SER 1194CO -0.12 0.59 0.50 0.15 -1.14 0.00 0.00 176.83 176.80 1p14 h PHE 1195N 0.90 0.95 -0.77 3.45 3.57 -0.05 -0.91 116.94 124.08 1p14 h PHE 1195Ca 0.24 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1p14 h PHE 1195Cb -0.05 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 1p14 h PHE 1195CO 0.00 0.57 0.50 0.78 -2.23 0.00 0.00 178.31 177.94 1p14 h GLY 1196N 1.01 1.09 1.36 2.40 0.00 -0.21 -0.80 103.07 107.91 1p14 h GLY 1196Ca 0.30 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1p14 h GLY 1196CO -0.09 0.37 0.24 -2.08 0.00 0.00 0.00 176.54 174.98 1p14 h VAL 1197N 1.01 1.20 -0.62 4.60 2.07 -0.82 -0.70 116.25 123.00 1p14 h VAL 1197Ca 0.29 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1p14 h VAL 1197Cb -0.08 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1p14 h VAL 1197CO -0.08 0.25 0.14 0.58 0.02 0.00 0.00 177.57 178.48 1p14 h VAL 1198N 0.82 1.25 -0.59 2.57 2.07 -0.09 0.19 116.25 122.46 1p14 h VAL 1198Ca 0.20 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1p14 h VAL 1198Cb 0.15 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1p14 h VAL 1198CO -0.02 0.34 0.15 -0.07 0.02 0.00 0.00 177.57 178.00 1p14 h LEU 1199N 0.93 0.85 -0.76 2.57 3.38 -0.24 0.57 115.31 122.61 1p14 h LEU 1199Ca 0.20 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1p14 h LEU 1199Cb 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1p14 h LEU 1199CO 0.00 0.82 0.06 -0.25 0.09 0.00 0.00 178.44 179.17 1p14 h TRP 1200N 0.88 1.07 -0.60 1.13 7.01 -0.11 -1.06 115.95 124.26 1p14 h TRP 1200Ca 0.19 -0.15 -0.08 0.00 2.11 0.00 0.00 58.89 60.96 1p14 h TRP 1200Cb 0.30 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 1p14 h TRP 1200CO 0.02 0.92 0.07 0.93 -2.79 0.00 0.00 178.44 177.59 1p14 h GLU 1201N 0.93 1.02 -0.61 2.65 5.08 0.27 -1.36 114.58 122.56 1p14 h GLU 1201Ca 0.18 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1p14 h GLU 1201Cb 0.46 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1p14 h GLU 1201CO 0.02 0.97 0.29 0.82 -1.00 0.00 0.00 179.01 180.11 1p14 h ILE 1202N 0.92 1.21 0.00 3.13 2.04 -0.54 0.39 117.51 124.66 1p14 h ILE 1202Ca 0.18 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1p14 h ILE 1202Cb 0.46 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1p14 h ILE 1202CO 0.02 0.25 0.00 0.35 0.00 0.00 0.00 178.15 178.76 1p14 n THR 1203N -4.51 0.34 -0.02 -0.27 -2.24 -0.44 -3.08 114.28 104.06 1p14 n THR 1203Ca 0.04 -0.04 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1p14 n THR 1203Cb 0.13 -0.62 0.10 0.00 -2.10 0.00 0.00 70.33 67.83 1p14 n THR 1203CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p14 n SER 1204N -1.77 2.47 -3.65 3.42 3.41 -0.53 -4.85 113.62 112.11 1p14 n SER 1204Ca 0.06 -1.85 -0.21 0.00 -0.26 0.00 0.00 58.87 56.61 1p14 n SER 1204Cb 0.34 -0.13 0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1p14 n SER 1204CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p14 n LEU 1205N 0.32 -3.28 -2.95 1.04 4.77 -0.34 -3.27 117.00 113.30 1p14 n LEU 1205Ca 0.08 -0.76 -0.18 0.00 -0.03 0.00 0.00 56.01 55.12 1p14 n LEU 1205Cb 0.34 -2.77 0.07 0.00 -2.33 0.00 0.00 43.42 38.72 1p14 n LEU 1205CO 0.06 0.42 0.17 0.00 -1.33 0.00 0.00 177.39 176.71 1p14 n ALA 1206N -4.31 -1.18 -1.43 -1.18 0.00 0.12 -4.04 120.51 108.50 1p14 n ALA 1206Ca -0.26 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1p14 n ALA 1206Cb 0.66 -3.89 0.11 0.00 0.00 0.00 0.00 19.45 16.33 1p14 n ALA 1206CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p14 s GLU 1207N -5.81 1.68 -0.16 0.00 0.41 -1.20 -4.94 118.70 108.67 1p14 s GLU 1207Ca 0.35 0.66 -0.29 0.00 -0.41 0.00 0.00 54.97 55.28 1p14 s GLU 1207Cb -0.16 -1.87 -0.00 0.00 -1.78 0.00 0.00 34.13 30.32 1p14 s GLU 1207CO 0.58 -1.91 0.99 -1.14 -0.49 0.00 0.00 175.26 173.29 1p14 s GLN 1208N -5.09 4.34 0.28 1.61 2.00 -1.26 -4.91 119.66 116.62 1p14 s GLN 1208Ca 0.62 1.31 -0.30 0.00 -2.00 0.00 0.00 55.36 54.98 1p14 s GLN 1208Cb -0.16 -3.58 -0.12 0.00 0.80 0.00 0.00 33.01 29.95 1p14 s GLN 1208CO 0.55 -0.43 1.63 -2.30 -0.50 0.00 0.00 175.29 174.24 1p14 n PRO 1209N 5.53 2.76 -3.43 1.67 -0.02 -1.26 -2.38 135.00 137.87 1p14 n PRO 1209Ca 0.09 0.98 -0.24 0.00 -2.02 0.00 0.00 63.50 62.31 1p14 n PRO 1209Cb 0.48 -2.79 0.05 0.00 -0.02 0.00 0.00 33.50 31.22 1p14 n PRO 1209CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1p14 n TYR 1210N 2.52 -2.39 -1.70 6.00 4.02 -1.26 -4.90 117.16 119.45 1p14 n TYR 1210Ca 0.10 0.78 -0.44 0.00 -0.01 0.00 0.00 57.90 58.34 1p14 n TYR 1210Cb 0.37 -4.52 -0.03 0.00 -0.02 0.00 0.00 39.34 35.13 1p14 n TYR 1210CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1p14 n GLN 1211N -4.52 2.56 0.00 -0.72 1.13 -1.00 -1.29 117.38 113.53 1p14 n GLN 1211Ca -0.03 0.93 0.00 0.00 -1.94 0.00 0.00 57.00 55.96 1p14 n GLN 1211Cb 0.57 -2.75 0.00 0.00 0.11 0.00 0.00 30.24 28.17 1p14 n GLN 1211CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p14 n GLY 1212N 3.82 2.13 3.79 1.08 0.00 -1.26 -5.07 105.19 109.67 1p14 n GLY 1212Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1p14 n GLY 1212CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p14 s LEU 1213N 0.00 3.97 0.79 0.99 1.43 -0.41 -5.10 118.68 120.35 1p14 s LEU 1213Ca 0.00 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 1p14 s LEU 1213Cb 0.00 -2.11 0.07 0.00 0.03 0.00 0.00 46.19 44.18 1p14 s LEU 1213CO 0.00 0.34 1.13 -0.94 0.23 0.00 0.00 176.35 177.11 1p14 s SER 1214N -1.31 4.62 0.46 2.29 1.04 -1.26 -4.80 113.70 114.74 1p14 s SER 1214Ca 0.18 1.01 0.14 0.00 0.48 0.00 0.00 55.95 57.76 1p14 s SER 1214Cb -0.12 -1.66 1.04 0.00 0.10 0.00 0.00 66.02 65.39 1p14 s SER 1214CO 0.08 -1.86 2.04 0.78 0.98 0.00 0.00 173.24 175.26 1p14 h ASN 1215N -1.02 0.07 -0.21 7.02 2.35 -1.99 0.16 115.58 121.97 1p14 h ASN 1215Ca -0.47 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1p14 h ASN 1215Cb 1.30 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 1p14 h ASN 1215CO 0.63 0.17 0.08 -0.08 -1.65 0.00 0.00 177.43 176.58 1p14 h GLU 1216N 0.08 0.31 -0.29 0.81 4.57 -2.00 -1.77 114.58 116.28 1p14 h GLU 1216Ca 0.02 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1p14 h GLU 1216Cb 0.20 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1p14 h GLU 1216CO 0.01 0.37 -0.39 1.96 -1.18 0.00 0.00 179.01 179.78 1p14 h GLN 1217N 0.18 0.69 -0.50 1.92 4.20 -1.67 -3.02 115.11 116.91 1p14 h GLN 1217Ca 0.07 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1p14 h GLN 1217Cb 0.18 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1p14 h GLN 1217CO -0.01 0.96 0.27 0.28 -0.67 0.00 0.00 178.83 179.66 1p14 h VAL 1218N 0.57 1.18 -0.44 -0.54 2.07 -0.89 0.15 116.25 118.35 1p14 h VAL 1218Ca 0.05 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1p14 h VAL 1218Cb 0.92 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1p14 h VAL 1218CO 0.08 0.19 0.01 0.25 0.02 0.00 0.00 177.57 178.13 1p14 h LEU 1219N 0.67 -0.15 -0.12 2.57 5.85 -1.23 0.56 115.31 123.46 1p14 h LEU 1219Ca 0.18 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 1p14 h LEU 1219Cb 0.06 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1p14 h LEU 1219CO -0.03 -0.04 -0.31 0.11 -0.34 0.00 0.00 178.44 177.83 1p14 h LYS 1220N 0.13 0.42 -0.11 1.25 1.79 -1.38 -2.52 116.57 116.15 1p14 h LYS 1220Ca 0.22 -0.29 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1p14 h LYS 1220Cb 0.31 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 1p14 h LYS 1220CO -0.35 0.91 -0.20 0.35 -1.08 0.00 0.00 179.45 179.08 1p14 h PHE 1221N -0.01 -0.53 -0.48 -1.35 3.57 -0.34 0.81 116.94 118.61 1p14 h PHE 1221Ca -0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1p14 h PHE 1221Cb 0.93 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1p14 h PHE 1221CO 0.11 -0.28 0.08 0.28 -2.23 0.00 0.00 178.31 176.27 1p14 h VAL 1222N -0.27 1.25 0.00 1.41 2.07 -0.98 0.03 116.25 119.75 1p14 h VAL 1222Ca 0.09 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1p14 h VAL 1222Cb 0.40 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1p14 h VAL 1222CO -0.26 0.32 -0.05 0.24 0.02 0.00 0.00 177.57 177.84 1p14 h MET 1223N 0.67 0.00 -0.00 1.57 2.86 -1.19 -1.36 114.93 117.48 1p14 h MET 1223Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1p14 h MET 1223Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1p14 h MET 1223CO 0.01 0.05 -0.02 -0.25 1.06 0.00 0.00 176.91 177.76 1p14 n ASP 1224N -3.22 0.03 0.00 1.22 8.00 0.26 -4.88 116.55 117.96 1p14 n ASP 1224Ca -0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1p14 n ASP 1224Cb 0.27 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1p14 n ASP 1224CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p14 n GLY 1225N 1.42 0.88 3.85 0.44 0.00 -0.51 -5.08 105.19 106.19 1p14 n GLY 1225Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1p14 n GLY 1225CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p14 s GLY 1226N -1.36 1.82 0.21 -0.02 0.00 -0.05 -4.99 107.32 102.94 1p14 s GLY 1226Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.68 1p14 s GLY 1226CO 0.00 0.35 0.39 -2.52 0.00 0.00 0.00 173.10 171.32 1p14 s TYR 1227N -2.93 0.40 0.40 1.90 1.13 -1.26 -4.32 117.35 112.67 1p14 s TYR 1227Ca 0.58 -0.75 -0.27 0.00 -1.41 0.00 0.00 57.07 55.22 1p14 s TYR 1227Cb -0.12 0.06 -0.10 0.00 -1.10 0.00 0.00 41.96 40.70 1p14 s TYR 1227CO 0.46 -0.87 1.48 1.28 -2.51 0.00 0.00 175.55 175.40 1p14 n LEU 1228N -0.31 4.94 -4.80 -3.49 4.77 -1.26 -5.00 117.00 111.84 1p14 n LEU 1228Ca -0.04 1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 56.81 1p14 n LEU 1228Cb 0.63 -1.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 1p14 n LEU 1228CO 0.23 0.09 0.71 -1.81 -1.33 0.00 0.00 177.39 175.29 1p14 s ASP 1229N -0.23 6.05 0.23 -1.43 -0.00 -1.26 -4.99 116.67 115.04 1p14 s ASP 1229Ca 0.56 1.84 -0.30 0.00 -0.00 0.00 0.00 52.55 54.65 1p14 s ASP 1229Cb -0.46 -2.54 -0.09 0.00 -0.00 0.00 0.00 42.92 39.83 1p14 s ASP 1229CO 0.62 -0.98 1.13 -1.10 -0.00 0.00 0.00 175.17 174.84 1p14 s GLN 1230N -3.75 4.58 0.75 8.23 -1.52 -1.26 -5.00 119.66 121.69 1p14 s GLN 1230Ca 0.65 1.82 -0.15 0.00 -1.95 0.00 0.00 55.36 55.73 1p14 s GLN 1230Cb -0.16 -3.22 0.05 0.00 -0.22 0.00 0.00 33.01 29.46 1p14 s GLN 1230CO 0.30 0.08 1.22 -2.14 -0.25 0.00 0.00 175.29 174.50 1p14 s PRO 1231N -0.85 2.00 0.24 2.91 0.02 -1.26 -4.87 135.00 133.18 1p14 s PRO 1231Ca 0.48 1.80 -0.31 0.00 0.02 0.00 0.00 61.00 62.99 1p14 s PRO 1231Cb -0.32 -1.81 -0.14 0.00 0.02 0.00 0.00 34.50 32.25 1p14 s PRO 1231CO 0.39 -1.95 1.33 -0.25 -0.33 0.00 0.00 177.00 176.18 1p14 n ASP 1232N -2.84 2.42 -4.07 2.53 10.43 -1.26 -2.24 116.55 121.53 1p14 n ASP 1232Ca 0.14 1.15 -0.31 0.00 2.57 0.00 0.00 54.79 58.34 1p14 n ASP 1232Cb 0.50 -1.39 -0.01 0.00 1.84 0.00 0.00 41.12 42.06 1p14 n ASP 1232CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1p14 n ASN 1233N 1.93 -2.41 -4.74 -2.24 4.13 -1.26 -4.93 115.26 105.73 1p14 n ASN 1233Ca 0.11 -0.97 -0.41 0.00 1.68 0.00 0.00 54.58 55.00 1p14 n ASN 1233Cb 0.31 -3.07 -0.05 0.00 -1.54 0.00 0.00 39.78 35.43 1p14 n ASN 1233CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p14 n PRO 1235N 1.96 2.56 -0.34 0.00 -0.02 -1.26 -4.86 135.00 133.04 1p14 n PRO 1235Ca 0.01 0.91 0.10 0.00 -2.02 0.00 0.00 63.50 62.50 1p14 n PRO 1235Cb 0.47 -2.70 0.29 0.00 -0.02 0.00 0.00 33.50 31.54 1p14 n PRO 1235CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1p14 h GLU 1236N 5.42 0.84 -0.30 -0.52 4.81 -1.99 -1.78 114.58 121.06 1p14 h GLU 1236Ca -0.45 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1p14 h GLU 1236Cb 1.23 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1p14 h GLU 1236CO 0.85 0.55 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.58 1p14 h ARG 1237N 0.86 0.47 0.03 1.92 2.43 -2.00 -0.53 114.38 117.56 1p14 h ARG 1237Ca 0.51 -0.09 -0.22 0.00 -0.81 0.00 0.00 59.98 59.37 1p14 h ARG 1237Cb 0.66 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1p14 h ARG 1237CO -0.28 0.50 -1.03 0.28 -1.51 0.00 0.00 179.97 177.93 1p14 h VAL 1238N 0.45 1.63 -0.69 0.20 2.07 -1.72 -2.88 116.25 115.31 1p14 h VAL 1238Ca 0.10 -3.20 -0.06 0.00 0.82 0.00 0.00 66.70 64.35 1p14 h VAL 1238Cb 0.31 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1p14 h VAL 1238CO 0.01 0.92 0.18 0.74 0.02 0.00 0.00 177.57 179.44 1p14 h THR 1239N 0.03 1.26 -0.72 2.57 2.02 -0.82 -1.57 112.91 115.68 1p14 h THR 1239Ca -0.04 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1p14 h THR 1239Cb 1.76 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1p14 h THR 1239CO 0.15 0.36 0.33 0.44 0.37 0.00 0.00 175.52 177.17 1p14 h ASP 1240N 1.02 0.94 -0.20 4.18 3.32 -1.08 -1.26 116.42 123.34 1p14 h ASP 1240Ca 0.22 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1p14 h ASP 1240Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1p14 h ASP 1240CO 0.00 0.80 0.08 -0.07 -1.72 0.00 0.00 179.24 178.33 1p14 h LEU 1241N 1.02 0.28 -0.48 1.55 3.38 -1.22 -2.52 115.31 117.32 1p14 h LEU 1241Ca 0.25 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1p14 h LEU 1241Cb 0.13 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1p14 h LEU 1241CO -0.03 0.37 0.24 0.24 0.09 0.00 0.00 178.44 179.36 1p14 h MET 1242N 0.17 0.46 -0.90 1.13 2.86 -0.97 -2.11 114.93 115.57 1p14 h MET 1242Ca 0.07 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1p14 h MET 1242Cb 0.18 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1p14 h MET 1242CO -0.01 0.31 0.59 0.00 1.06 0.00 0.00 176.91 178.86 1p14 h ARG 1243N 0.48 1.05 -0.48 1.72 -0.00 -1.08 -1.42 114.38 114.64 1p14 h ARG 1243Ca 0.21 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.98 59.56 1p14 h ARG 1243Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 29.97 29.84 1p14 h ARG 1243CO -0.15 0.69 0.04 0.52 0.00 0.00 0.00 179.97 181.08 1p14 h MET 1244N 1.08 0.82 0.00 0.04 2.07 -0.99 -2.89 114.93 115.07 1p14 h MET 1244Ca 0.37 -0.24 -0.04 0.00 -2.07 0.00 0.00 59.70 57.72 1p14 h MET 1244Cb 0.10 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 1p14 h MET 1244CO -0.12 0.84 -0.18 0.00 1.07 0.00 0.00 176.91 178.52 1p14 n TRP 1246N -3.81 2.27 -1.98 0.00 8.01 -0.61 -3.98 117.44 117.34 1p14 n TRP 1246Ca -0.02 -1.02 -0.41 0.00 -1.31 0.00 0.00 57.50 54.74 1p14 n TRP 1246Cb 0.28 -0.62 -0.02 0.00 -2.01 0.00 0.00 31.31 28.94 1p14 n TRP 1246CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1p14 s GLN 1247N -2.82 4.25 0.18 -0.99 -1.52 -1.19 -4.90 119.66 112.68 1p14 s GLN 1247Ca 0.53 2.35 -0.11 0.00 -1.95 0.00 0.00 55.36 56.18 1p14 s GLN 1247Cb 0.41 -3.07 0.09 0.00 -0.22 0.00 0.00 33.01 30.23 1p14 s GLN 1247CO 0.14 -0.40 1.75 0.35 -0.25 0.00 0.00 175.29 176.87 1p14 h PHE 1248N 4.27 0.96 -3.38 0.91 3.04 -1.94 -3.39 116.94 117.40 1p14 h PHE 1248Ca -0.48 -0.07 -0.57 0.00 3.98 0.00 0.00 57.97 60.84 1p14 h PHE 1248Cb 1.22 -0.29 -0.06 0.00 2.56 0.00 0.00 35.95 39.38 1p14 h PHE 1248CO 0.58 0.75 0.89 1.21 -2.02 0.00 0.00 178.31 179.72 1p14 s ASN 1249N -6.12 6.80 0.54 0.41 3.84 -1.26 -4.85 114.94 114.30 1p14 s ASN 1249Ca -0.13 0.92 0.26 0.00 0.21 0.00 0.00 52.86 54.13 1p14 s ASN 1249Cb 0.13 -2.54 1.44 0.00 -0.55 0.00 0.00 41.25 39.73 1p14 s ASN 1249CO 0.80 -1.02 2.00 1.55 -2.79 0.00 0.00 177.10 177.64 1p14 h PRO 1250N 8.64 0.00 0.00 0.43 0.13 -1.95 0.11 132.00 139.36 1p14 h PRO 1250Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1p14 h PRO 1250Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1p14 h PRO 1250CO 1.06 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.92 1p14 h ASN 1251N 0.00 0.00 0.17 1.44 2.35 -1.93 -2.79 115.58 114.81 1p14 h ASN 1251Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1p14 h ASN 1251Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1p14 h ASN 1251CO -0.00 0.00 -0.21 0.23 -1.65 0.00 0.00 177.43 175.80 1p14 n MET 1252N -2.89 1.05 -2.96 0.81 2.81 0.39 -4.91 117.12 111.41 1p14 n MET 1252Ca 0.00 -0.64 -0.32 0.00 -1.81 0.00 0.00 57.70 54.94 1p14 n MET 1252Cb 0.25 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.23 1p14 n MET 1252CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1p14 s ARG 1253N -2.39 3.96 0.93 0.03 0.52 -1.06 -4.92 118.95 116.03 1p14 s ARG 1253Ca 0.27 0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 56.05 1p14 s ARG 1253Cb 0.20 -2.36 0.15 0.00 0.52 0.00 0.00 34.95 33.45 1p14 s ARG 1253CO 0.48 0.04 1.11 -1.25 0.02 0.00 0.00 175.30 175.70 1p14 s PRO 1254N -3.34 1.02 0.43 3.54 0.04 -1.26 -5.06 135.00 130.36 1p14 s PRO 1254Ca 0.55 0.51 0.02 0.00 0.04 0.00 0.00 61.00 62.12 1p14 s PRO 1254Cb -0.10 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1p14 s PRO 1254CO 0.22 -2.33 0.62 0.95 0.04 0.00 0.00 177.00 176.50 1p14 s THR 1255N -3.09 3.86 0.31 1.26 -4.23 -1.26 -4.93 115.64 107.56 1p14 s THR 1255Ca 0.64 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1p14 s THR 1255Cb -0.17 -3.40 0.12 0.00 1.34 0.00 0.00 72.50 70.39 1p14 s THR 1255CO 0.56 -0.24 1.81 -0.26 -0.54 0.00 0.00 174.62 175.94 1p14 h PHE 1256N 0.51 0.53 -0.37 3.99 0.04 -1.93 -1.70 116.94 118.01 1p14 h PHE 1256Ca -0.45 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.16 1p14 h PHE 1256Cb 1.26 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 1p14 h PHE 1256CO 0.43 0.60 -0.09 -0.07 -0.60 0.00 0.00 178.31 178.59 1p14 h LEU 1257N 0.46 0.60 -1.17 1.54 3.38 -1.94 -2.04 115.31 116.15 1p14 h LEU 1257Ca 0.09 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1p14 h LEU 1257Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1p14 h LEU 1257CO 0.03 0.73 -0.41 -0.33 0.09 0.00 0.00 178.44 178.55 1p14 h GLU 1258N 0.58 0.00 -0.17 1.13 5.08 -1.73 -0.79 114.58 118.67 1p14 h GLU 1258Ca 0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1p14 h GLU 1258Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1p14 h GLU 1258CO 0.03 0.41 -0.07 0.82 -1.00 0.00 0.00 179.01 179.20 1p14 h ILE 1259N 0.00 1.30 -0.79 3.13 1.08 -0.73 -1.65 117.51 119.85 1p14 h ILE 1259Ca -0.00 -1.09 -0.05 0.00 -0.39 0.00 0.00 64.86 63.33 1p14 h ILE 1259Cb 0.74 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1p14 h ILE 1259CO 0.05 0.32 0.32 0.58 -0.69 0.00 0.00 178.15 178.73 1p14 h VAL 1260N 0.04 1.26 -0.69 1.67 2.07 -1.15 -2.33 116.25 117.12 1p14 h VAL 1260Ca 0.04 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1p14 h VAL 1260Cb 0.53 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1p14 h VAL 1260CO 0.02 0.33 0.38 -1.13 0.02 0.00 0.00 177.57 177.19 1p14 h ASN 1261N 1.15 0.85 0.39 0.57 -1.24 -1.03 0.31 115.58 116.57 1p14 h ASN 1261Ca 0.26 -0.07 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 1p14 h ASN 1261Cb 0.21 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1p14 h ASN 1261CO -0.02 0.68 -0.36 -0.07 -1.29 0.00 0.00 177.43 176.37 1p14 h LEU 1262N 0.96 0.00 0.00 0.34 3.38 -0.78 -3.24 115.31 115.97 1p14 h LEU 1262Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1p14 h LEU 1262Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1p14 h LEU 1262CO -0.04 0.36 -0.94 0.18 0.09 0.00 0.00 178.44 178.10 1p14 n LEU 1263N -4.06 0.85 -0.36 1.67 4.77 -0.76 -4.72 117.00 114.39 1p14 n LEU 1263Ca -0.02 -0.48 0.27 0.00 -0.03 0.00 0.00 56.01 55.76 1p14 n LEU 1263Cb 0.41 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.03 1p14 n LEU 1263CO 0.38 0.21 1.19 0.07 -1.33 0.00 0.00 177.39 177.92 1p14 h LYS 1264N 0.00 0.28 0.00 3.23 2.10 -0.45 -1.73 116.57 120.00 1p14 h LYS 1264Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1p14 h LYS 1264Cb 0.47 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1p14 h LYS 1264CO 0.00 0.18 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 1p14 n ASP 1265N -4.79 0.00 -2.05 7.07 8.00 -1.26 -3.83 116.55 119.68 1p14 n ASP 1265Ca 0.31 -0.21 -0.24 0.00 0.71 0.00 0.00 54.79 55.36 1p14 n ASP 1265Cb 1.08 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 41.94 1p14 n ASP 1265CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1p14 n ASP 1266N -1.26 4.86 -4.60 -2.24 8.00 -0.65 -5.06 116.55 115.61 1p14 n ASP 1266Ca 0.15 -3.72 -0.27 0.00 0.71 0.00 0.00 54.79 51.66 1p14 n ASP 1266Cb 0.22 -0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 40.87 1p14 n ASP 1266CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1p14 s LEU 1267N -3.60 2.85 0.53 0.64 1.43 -1.25 -4.75 118.68 114.52 1p14 s LEU 1267Ca 0.50 -1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 52.09 1p14 s LEU 1267Cb 0.41 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.61 1p14 s LEU 1267CO 0.03 -0.37 1.26 1.57 0.23 0.00 0.00 176.35 179.07 1p14 n HIS 1268N -0.93 1.98 0.04 0.29 -0.00 -1.26 -4.87 115.22 110.46 1p14 n HIS 1268Ca -0.05 0.45 0.20 0.00 -0.00 0.00 0.00 57.72 58.32 1p14 n HIS 1268Cb 0.66 -2.32 0.71 0.00 -0.00 0.00 0.00 29.99 29.03 1p14 n HIS 1268CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1p14 h PRO 1269N 1.39 0.00 0.00 1.57 0.11 -2.00 -1.60 132.00 131.47 1p14 h PRO 1269Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p14 h PRO 1269Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1p14 h PRO 1269CO 0.56 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.01 1p14 h SER 1270N 0.00 0.00 -0.45 -2.05 4.64 -2.02 -3.37 113.55 110.30 1p14 h SER 1270Ca 0.22 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.63 1p14 h SER 1270Cb 0.94 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.94 1p14 h SER 1270CO -0.00 0.00 -0.09 0.15 -0.87 0.00 0.00 176.83 176.01 1p14 h PHE 1271N 0.00 -0.20 0.00 4.77 3.57 -1.64 -1.09 116.94 122.35 1p14 h PHE 1271Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1p14 h PHE 1271Cb 0.62 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1p14 h PHE 1271CO 0.00 -0.18 -0.05 -1.35 -2.23 0.00 0.00 178.31 174.50 1p14 h PRO 1272N 0.02 0.00 0.00 6.41 0.11 -1.81 0.14 132.00 136.87 1p14 h PRO 1272Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1p14 h PRO 1272Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1p14 h PRO 1272CO -0.45 0.05 -0.11 0.93 -0.21 0.00 0.00 178.00 178.22 1p14 h GLU 1273N 0.00 0.00 0.00 1.05 5.08 -1.45 -3.38 114.58 115.88 1p14 h GLU 1273Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p14 h GLU 1273Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1p14 h GLU 1273CO 0.01 0.11 -0.63 1.33 -1.00 0.00 0.00 179.01 178.82 1p14 n VAL 1274N -3.13 0.00 -1.78 3.13 0.24 -0.79 -5.07 118.33 110.93 1p14 n VAL 1274Ca 0.03 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.34 61.88 1p14 n VAL 1274Cb 0.56 0.60 0.05 0.00 -1.47 0.00 0.00 33.84 33.57 1p14 n VAL 1274CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1p14 s SER 1275N -1.52 5.12 0.07 -1.34 1.04 0.43 -4.29 113.70 113.21 1p14 s SER 1275Ca 0.00 2.03 -0.15 0.00 0.48 0.00 0.00 55.95 58.31 1p14 s SER 1275Cb 0.00 -2.56 -0.17 0.00 0.10 0.00 0.00 66.02 63.39 1p14 s SER 1275CO 0.00 -1.62 1.26 0.15 0.98 0.00 0.00 173.24 174.01 1p14 h PHE 1276N 0.11 0.90 -0.78 5.02 3.57 -1.89 -3.04 116.94 120.84 1p14 h PHE 1276Ca -0.47 -0.40 0.18 0.00 3.53 0.00 0.00 57.97 60.81 1p14 h PHE 1276Cb 1.25 -0.14 -0.12 0.00 2.79 0.00 0.00 35.95 39.73 1p14 h PHE 1276CO 0.54 1.21 0.17 0.35 -2.23 0.00 0.00 178.31 178.36 1p14 h PHE 1277N 0.33 0.26 -0.03 0.41 3.57 -1.92 -0.71 116.94 118.85 1p14 h PHE 1277Ca -0.05 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1p14 h PHE 1277Cb 1.30 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1p14 h PHE 1277CO 0.10 -0.13 0.00 0.72 -2.23 0.00 0.00 178.31 176.77 1p14 n HIS 1278N -5.19 0.02 -1.80 0.41 8.25 -1.23 -4.77 115.22 110.90 1p14 n HIS 1278Ca 0.16 -0.01 -0.30 0.00 -0.26 0.00 0.00 57.72 57.31 1p14 n HIS 1278Cb 0.52 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.68 1p14 n HIS 1278CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1p14 s SER 1279N -1.97 5.27 0.02 0.41 1.04 -0.27 -4.94 113.70 113.27 1p14 s SER 1279Ca 0.35 1.20 0.19 0.00 0.48 0.00 0.00 55.95 58.17 1p14 s SER 1279Cb 0.21 -2.00 0.79 0.00 0.10 0.00 0.00 66.02 65.11 1p14 s SER 1279CO 0.32 -1.46 1.59 -1.84 0.98 0.00 0.00 173.24 172.84 1p14 n GLU 1280N -3.09 0.02 0.08 4.02 0.28 -1.26 -2.37 120.64 118.31 1p14 n GLU 1280Ca 0.07 0.20 0.13 0.00 -0.16 0.00 0.00 57.16 57.40 1p14 n GLU 1280Cb 0.57 -1.53 0.45 0.00 1.43 0.00 0.00 31.44 32.36 1p14 n GLU 1280CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1p14 n GLU 1281N -1.55 0.20 -2.95 3.44 1.02 -1.26 -4.52 120.64 115.01 1p14 n GLU 1281Ca 0.04 0.16 -0.44 0.00 -0.02 0.00 0.00 57.16 56.90 1p14 n GLU 1281Cb 0.22 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 29.89 1p14 n GLU 1281CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1p14 s ASN 1282N -4.14 6.64 0.00 1.62 2.47 -1.00 -5.11 114.94 115.42 1p14 s ASN 1282Ca 0.11 -2.10 0.00 0.00 0.42 0.00 0.00 52.86 51.30 1p14 s ASN 1282Cb 0.14 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 1p14 s ASN 1282CO 0.59 -1.03 0.17 0.29 -3.72 0.00 0.00 177.10 173.40