#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxs n SER 2 N 0.00 -2.09 -0.03 -2.24 7.64 -1.26 -4.58 113.62 111.06 1jxs n SER 2 Ca 0.00 -0.08 -0.19 0.00 1.01 0.00 0.00 58.87 59.61 1jxs n SER 2 Cb 0.00 -1.84 -0.13 0.00 -1.01 0.00 0.00 64.21 61.23 1jxs n SER 2 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1jxs h LYS 3 N -0.38 0.13 -7.76 1.43 3.64 -1.93 -3.47 116.57 108.24 1jxs h LYS 3 Ca -0.25 -0.22 -0.45 0.00 -1.27 0.00 0.00 60.65 58.46 1jxs h LYS 3 Cb 1.17 0.08 0.15 0.00 -0.41 0.00 0.00 32.23 33.22 1jxs h LYS 3 CO 0.34 1.11 0.41 -1.25 -2.27 0.00 0.00 179.45 177.78 1jxs s PRO 4 N -2.37 0.93 -0.22 1.90 0.04 -1.26 -4.99 135.00 129.04 1jxs s PRO 4 Ca -0.20 -0.34 -0.29 0.00 0.04 0.00 0.00 61.00 60.21 1jxs s PRO 4 Cb 0.02 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1jxs s PRO 4 CO 0.72 -2.22 1.40 -1.25 0.04 0.00 0.00 177.00 175.69 1jxs s PRO 5 N -5.80 4.01 -0.32 0.56 0.04 -1.26 -4.80 135.00 127.43 1jxs s PRO 5 Ca 0.71 1.56 0.04 0.00 0.04 0.00 0.00 61.00 63.36 1jxs s PRO 5 Cb -0.05 -3.89 0.32 0.00 0.04 0.00 0.00 34.50 30.92 1jxs s PRO 5 CO 0.52 -1.01 1.41 0.98 0.04 0.00 0.00 177.00 178.94 1jxs n TYR 6 N 7.46 -0.33 0.00 0.56 9.36 -1.26 -4.79 117.16 128.17 1jxs n TYR 6 Ca 0.16 -0.68 0.00 0.00 3.32 0.00 0.00 57.90 60.69 1jxs n TYR 6 Cb 0.45 1.16 0.00 0.00 -0.63 0.00 0.00 39.34 40.32 1jxs n TYR 6 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1jxs n SER 7 N 0.46 0.00 0.00 2.98 7.64 -1.26 -4.65 113.62 118.78 1jxs n SER 7 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1jxs n SER 7 Cb 0.76 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1jxs n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1jxs n TYR 8 N -0.25 0.00 0.00 1.43 4.01 -1.26 -0.97 117.16 120.12 1jxs n TYR 8 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1jxs n TYR 8 Cb 0.00 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 1jxs n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jxs n ALA 9 N -3.90 0.00 -0.43 -0.72 0.00 -1.26 -3.75 120.51 110.45 1jxs n ALA 9 Ca 0.00 -0.01 0.33 0.00 0.00 0.00 0.00 53.44 53.76 1jxs n ALA 9 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 1jxs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxs n GLN 10 N -1.07 -0.01 0.22 0.00 0.00 -1.17 0.05 117.38 115.41 1jxs n GLN 10 Ca 0.00 0.76 -0.09 0.00 0.00 0.00 0.00 57.00 57.66 1jxs n GLN 10 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 30.24 28.54 1jxs n GLN 10 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1jxs h LEU 11 N 0.00 -0.51 -0.65 2.61 3.38 -1.25 -2.77 115.31 116.12 1jxs h LEU 11 Ca 0.61 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.73 1jxs h LEU 11 Cb 2.33 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 43.12 1jxs h LEU 11 CO -0.10 -0.16 0.15 0.40 0.09 0.00 0.00 178.44 178.81 1jxs h ILE 12 N -1.01 0.60 0.00 1.22 2.04 -0.47 -2.30 117.51 117.60 1jxs h ILE 12 Ca -0.06 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jxs h ILE 12 Cb 0.46 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1jxs h ILE 12 CO 0.10 0.05 0.00 0.52 0.00 0.00 0.00 178.15 178.82 1jxs n VAL 13 N -5.14 0.00 -0.26 1.67 0.31 -0.86 -2.17 118.33 111.88 1jxs n VAL 13 Ca 0.11 1.31 -0.10 0.00 -0.01 0.00 0.00 64.34 65.64 1jxs n VAL 13 Cb 0.37 -2.04 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 1jxs n VAL 13 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 1jxs h GLN 14 N 0.00 -0.19 -1.11 5.55 3.07 -1.32 0.18 115.11 121.30 1jxs h GLN 14 Ca 0.00 0.01 0.41 0.00 0.09 0.00 0.00 58.65 59.16 1jxs h GLN 14 Cb 0.00 0.04 -0.16 0.00 0.08 0.00 0.00 27.48 27.44 1jxs h GLN 14 CO 0.00 -0.12 0.65 0.00 0.09 0.00 0.00 178.83 179.44 1jxs h ALA 15 N 0.46 2.31 0.00 0.06 0.00 -1.26 0.93 119.26 121.76 1jxs h ALA 15 Ca 0.16 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jxs h ALA 15 Cb 0.53 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jxs h ALA 15 CO -0.76 -1.01 -0.44 0.82 0.00 0.00 0.00 179.25 177.86 1jxs h ILE 16 N 0.09 0.02 0.05 0.00 5.03 -0.22 -3.27 117.51 119.22 1jxs h ILE 16 Ca 0.82 -1.02 -0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1jxs h ILE 16 Cb 2.24 0.04 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1jxs h ILE 16 CO -0.63 0.01 -0.03 0.00 -0.68 0.00 0.00 178.15 176.82 1jxs h THR 17 N -1.00 1.28 0.00 -0.27 1.03 -0.72 -3.04 112.91 110.18 1jxs h THR 17 Ca -0.00 -1.49 0.00 0.00 -0.01 0.00 0.00 66.41 64.90 1jxs h THR 17 Cb 0.44 2.20 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 1jxs h THR 17 CO -0.00 0.35 0.03 -0.03 -0.01 0.00 0.00 175.52 175.86 1jxs h MET 18 N -0.78 0.00 -6.50 0.00 1.85 0.73 -3.41 114.93 106.80 1jxs h MET 18 Ca -0.01 0.00 -0.53 0.00 -0.61 0.00 0.00 59.70 58.55 1jxs h MET 18 Cb 0.63 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.63 1jxs h MET 18 CO 0.01 0.00 0.08 0.00 -0.40 0.00 0.00 176.91 176.60 1jxs s ALA 19 N -4.14 3.45 -1.21 0.39 0.00 -0.65 -4.96 121.76 114.65 1jxs s ALA 19 Ca -0.05 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 1jxs s ALA 19 Cb 0.13 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1jxs s ALA 19 CO 0.40 0.35 1.74 -1.25 0.00 0.00 0.00 175.76 176.99 1jxs s PRO 20 N -1.84 3.56 0.00 0.00 0.04 -1.26 -3.13 135.00 132.37 1jxs s PRO 20 Ca 0.41 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 59.84 1jxs s PRO 20 Cb -0.17 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 28.94 1jxs s PRO 20 CO 0.21 -2.64 0.00 -0.25 0.04 0.00 0.00 177.00 174.36 1jxs n ASP 21 N 9.91 0.00 0.00 6.66 8.00 -1.26 -4.93 116.55 134.93 1jxs n ASP 21 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1jxs n ASP 21 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1jxs n ASP 21 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jxs n LYS 22 N 0.00 -1.04 -4.46 -1.24 5.02 -1.16 -4.96 118.16 110.33 1jxs n LYS 22 Ca 0.00 0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 56.34 1jxs n LYS 22 Cb 0.00 -4.07 -0.16 0.00 -0.02 0.00 0.00 35.03 30.79 1jxs n LYS 22 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jxs s GLN 23 N -1.06 1.11 -0.10 1.97 -0.21 -1.26 -2.77 119.66 117.33 1jxs s GLN 23 Ca 0.00 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 54.93 1jxs s GLN 23 Cb 0.00 -1.02 0.03 0.00 1.00 0.00 0.00 33.01 33.02 1jxs s GLN 23 CO 0.00 0.12 0.28 -1.17 -2.12 0.00 0.00 175.29 172.40 1jxs s LEU 24 N 0.21 0.94 0.83 2.90 1.98 -1.02 -4.84 118.68 119.68 1jxs s LEU 24 Ca -0.04 0.56 -0.12 0.00 -2.89 0.00 0.00 54.13 51.64 1jxs s LEU 24 Cb -0.09 0.96 0.10 0.00 0.66 0.00 0.00 46.19 47.81 1jxs s LEU 24 CO 0.01 -0.10 1.19 -0.89 -1.89 0.00 0.00 176.35 174.67 1jxs s THR 25 N 0.14 2.00 0.25 3.68 2.01 -1.26 -2.08 115.64 120.38 1jxs s THR 25 Ca -0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1jxs s THR 25 Cb -0.02 -2.98 0.23 0.00 0.01 0.00 0.00 72.50 69.74 1jxs s THR 25 CO 0.00 0.00 1.78 0.25 -0.69 0.00 0.00 174.62 175.97 1jxs h LEU 26 N -1.15 0.58 -1.14 4.42 6.46 -1.93 0.22 115.31 122.78 1jxs h LEU 26 Ca -0.46 0.07 0.24 0.00 -0.12 0.00 0.00 57.88 57.60 1jxs h LEU 26 Cb 1.32 -0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 41.11 1jxs h LEU 26 CO 0.63 0.29 0.62 0.78 -0.62 0.00 0.00 178.44 180.15 1jxs h ASN 27 N 0.69 0.62 0.00 1.25 2.35 -1.92 -3.05 115.58 115.53 1jxs h ASN 27 Ca 0.43 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1jxs h ASN 27 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1jxs h ASN 27 CO -0.31 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.23 1jxs n GLY 28 N -1.37 -1.18 0.31 2.83 0.00 0.77 0.18 105.19 106.73 1jxs n GLY 28 Ca 0.25 0.22 -0.00 0.00 0.00 0.00 0.00 46.02 46.49 1jxs n GLY 28 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jxs h ILE 29 N 0.00 0.20 0.35 -0.61 5.03 -1.72 0.53 117.51 121.28 1jxs h ILE 29 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 1jxs h ILE 29 Cb 0.00 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 33.97 1jxs h ILE 29 CO 0.00 0.00 -0.35 1.88 -0.68 0.00 0.00 178.15 179.00 1jxs h TYR 30 N -0.04 -0.97 0.00 1.37 0.05 0.17 -0.43 116.97 117.11 1jxs h TYR 30 Ca 0.33 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1jxs h TYR 30 Cb 0.56 0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1jxs h TYR 30 CO -0.64 -0.46 0.00 2.41 -1.05 0.00 0.00 178.16 178.42 1jxs n THR 31 N -4.50 0.00 -0.02 -2.88 -1.04 -0.25 -3.40 114.28 102.19 1jxs n THR 31 Ca -0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1jxs n THR 31 Cb 0.32 -0.50 -0.01 0.00 -1.82 0.00 0.00 70.33 68.32 1jxs n THR 31 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jxs n HIS 32 N -0.79 0.00 -0.37 -1.42 -0.00 0.18 -4.01 115.22 108.81 1jxs n HIS 32 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.84 1jxs n HIS 32 Cb 0.04 -0.13 0.11 0.00 -0.00 0.00 0.00 29.99 30.00 1jxs n HIS 32 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1jxs n ILE 33 N -3.03 -0.45 -0.21 3.57 0.00 -0.27 0.89 119.36 119.86 1jxs n ILE 33 Ca -0.04 2.29 -0.02 0.00 0.00 0.00 0.00 62.75 64.98 1jxs n ILE 33 Cb 0.13 -3.12 0.09 0.00 0.00 0.00 0.00 39.64 36.74 1jxs n ILE 33 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1jxs h THR 34 N 0.00 0.96 -0.99 9.51 1.35 -1.66 0.75 112.91 122.83 1jxs h THR 34 Ca 0.43 -0.21 0.08 0.00 -0.55 0.00 0.00 66.41 66.16 1jxs h THR 34 Cb 0.68 0.28 -0.07 0.00 -1.73 0.00 0.00 68.15 67.31 1jxs h THR 34 CO -1.01 0.11 0.63 0.50 -0.25 0.00 0.00 175.52 175.50 1jxs h LYS 35 N 0.62 1.07 0.00 4.72 1.63 0.37 -3.30 116.57 121.69 1jxs h LYS 35 Ca 0.28 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1jxs h LYS 35 Cb 0.18 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1jxs h LYS 35 CO -0.18 0.71 0.00 0.09 -3.45 0.00 0.00 179.45 176.62 1jxs n ASN 36 N -4.55 0.00 -4.28 4.20 3.02 -0.49 -4.87 115.26 108.28 1jxs n ASN 36 Ca 0.16 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.27 1jxs n ASN 36 Cb 0.23 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 1jxs n ASN 36 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1jxs s TYR 37 N 0.00 3.34 0.00 3.10 1.51 0.25 -5.00 117.35 120.55 1jxs s TYR 37 Ca 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 57.07 54.53 1jxs s TYR 37 Cb 0.00 -3.71 0.00 0.00 -0.11 0.00 0.00 41.96 38.14 1jxs s TYR 37 CO 0.00 -1.01 0.00 -0.35 -1.11 0.00 0.00 175.55 173.08 1jxs n PRO 38 N 5.03 0.00 -2.12 -1.71 -0.04 -1.19 -3.87 135.00 131.09 1jxs n PRO 38 Ca -0.10 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1jxs n PRO 38 Cb 0.41 -0.01 -0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1jxs n PRO 38 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1jxs n TYR 39 N 0.00 -1.74 0.00 0.54 9.36 -1.26 -4.45 117.16 119.61 1jxs n TYR 39 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1jxs n TYR 39 Cb 0.00 -1.01 0.00 0.00 -0.63 0.00 0.00 39.34 37.70 1jxs n TYR 39 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1jxs n TYR 40 N -2.13 0.00 -2.16 2.98 4.01 -1.26 -4.91 117.16 113.69 1jxs n TYR 40 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1jxs n TYR 40 Cb 0.37 0.39 -0.05 0.00 -0.31 0.00 0.00 39.34 39.75 1jxs n TYR 40 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1jxs s ARG 41 N -1.98 2.79 0.00 -0.72 3.52 -1.26 -3.50 118.95 117.79 1jxs s ARG 41 Ca 0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1jxs s ARG 41 Cb 0.00 -5.16 0.00 0.00 -1.56 0.00 0.00 34.95 28.23 1jxs s ARG 41 CO 0.00 -3.21 0.00 -2.37 -0.81 0.00 0.00 175.30 168.91 1jxs n THR 42 N 7.64 0.00 0.08 4.11 5.66 -1.26 -5.03 114.28 125.47 1jxs n THR 42 Ca 0.40 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.40 1jxs n THR 42 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jxs n ALA 43 N -0.28 0.00 -2.43 1.79 0.00 -1.23 -5.01 120.51 113.36 1jxs n ALA 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1jxs n ALA 43 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1jxs n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxs s ASP 44 N -2.00 6.29 -0.29 0.00 1.01 -1.25 -4.68 116.67 115.75 1jxs s ASP 44 Ca 0.00 -2.13 0.12 0.00 0.71 0.00 0.00 52.55 51.25 1jxs s ASP 44 Cb 0.00 -2.58 0.79 0.00 1.01 0.00 0.00 42.92 42.13 1jxs s ASP 44 CO 0.00 -1.75 1.79 1.17 0.21 0.00 0.00 175.17 176.59 1jxs n LYS 45 N 8.41 4.27 0.08 8.23 4.81 -1.26 -4.32 118.16 138.38 1jxs n LYS 45 Ca 0.47 -3.13 0.13 0.00 -0.87 0.00 0.00 58.31 54.90 1jxs n LYS 45 Cb 0.47 -2.25 0.46 0.00 0.02 0.00 0.00 35.03 33.73 1jxs n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jxs n GLY 46 N 0.19 -1.66 0.13 3.14 0.00 -1.26 -3.06 105.19 102.67 1jxs n GLY 46 Ca 0.35 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.42 1jxs n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1jxs n TRP 47 N -2.07 0.05 0.00 1.61 4.27 -1.26 -3.69 117.44 116.35 1jxs n TRP 47 Ca 0.06 -0.03 0.00 0.00 -3.89 0.00 0.00 57.50 53.64 1jxs n TRP 47 Cb 0.41 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.36 1jxs n TRP 47 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1jxs n GLN 48 N -0.51 0.00 0.32 -2.67 1.13 -1.17 -2.05 117.38 112.42 1jxs n GLN 48 Ca 0.13 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.39 1jxs n GLN 48 Cb 0.12 -0.62 1.09 0.00 0.11 0.00 0.00 30.24 30.94 1jxs n GLN 48 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1jxs h ASN 49 N 0.00 0.00 -0.04 1.08 -0.00 -1.85 -0.88 115.58 113.90 1jxs h ASN 49 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.25 1jxs h ASN 49 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1jxs h ASN 49 CO 0.00 0.00 -0.10 0.28 -0.00 0.00 0.00 177.43 177.61 1jxs h SER 50 N 0.00 0.29 0.16 1.15 0.02 -1.64 -3.10 113.55 110.43 1jxs h SER 50 Ca -0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1jxs h SER 50 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1jxs h SER 50 CO 0.00 0.43 -0.08 -0.29 -1.14 0.00 0.00 176.83 175.75 1jxs h ILE 51 N 0.29 0.86 -1.22 3.27 6.09 -0.55 -3.01 117.51 123.24 1jxs h ILE 51 Ca 0.06 -1.12 0.36 0.00 -1.37 0.00 0.00 64.86 62.78 1jxs h ILE 51 Cb 0.37 1.44 -0.05 0.00 0.47 0.00 0.00 36.82 39.05 1jxs h ILE 51 CO 0.02 0.22 1.22 -0.09 -3.07 0.00 0.00 178.15 176.45 1jxs h ARG 52 N -0.85 0.00 -0.39 2.19 2.43 -1.57 0.22 114.38 116.41 1jxs h ARG 52 Ca -0.02 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1jxs h ARG 52 Cb 0.53 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 1jxs h ARG 52 CO 0.04 0.00 -0.22 1.25 -1.51 0.00 0.00 179.97 179.52 1jxs h HIS 53 N 0.00 -0.57 -0.02 2.20 2.76 -1.50 0.40 115.15 118.42 1jxs h HIS 53 Ca 0.58 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.78 1jxs h HIS 53 Cb 3.02 0.31 -0.00 0.00 1.55 0.00 0.00 27.41 32.29 1jxs h HIS 53 CO 0.00 -0.30 -0.06 -2.95 -1.30 0.00 0.00 177.93 173.32 1jxs h ASN 54 N -0.15 0.02 -0.32 3.26 -1.07 -0.74 -0.68 115.58 115.90 1jxs h ASN 54 Ca 0.19 -0.00 0.09 0.00 0.07 0.00 0.00 56.30 56.65 1jxs h ASN 54 Cb 0.45 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.68 1jxs h ASN 54 CO -0.49 0.09 0.31 -0.07 0.07 0.00 0.00 177.43 177.35 1jxs h LEU 55 N 0.02 0.00 0.00 6.14 3.38 -0.25 0.21 115.31 124.82 1jxs h LEU 55 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jxs h LEU 55 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1jxs h LEU 55 CO 0.01 0.00 -0.88 -0.24 0.09 0.00 0.00 178.44 177.42 1jxs n SER 56 N -3.89 1.83 -0.07 -0.43 2.88 -0.37 -4.54 113.62 109.03 1jxs n SER 56 Ca 0.05 0.37 -0.06 0.00 -1.33 0.00 0.00 58.87 57.90 1jxs n SER 56 Cb 0.47 -0.75 -0.04 0.00 -0.75 0.00 0.00 64.21 63.14 1jxs n SER 56 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1jxs h LEU 57 N -0.96 -0.82 -8.35 2.46 5.85 -1.14 -3.13 115.31 109.22 1jxs h LEU 57 Ca 0.00 0.11 -0.52 0.00 0.84 0.00 0.00 57.88 58.31 1jxs h LEU 57 Cb 0.88 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 1jxs h LEU 57 CO 0.00 -0.17 1.18 0.20 -0.34 0.00 0.00 178.44 179.31 1jxs s ASN 58 N -3.75 5.91 0.00 1.25 0.01 0.74 -4.80 114.94 114.29 1jxs s ASN 58 Ca -0.06 -0.42 0.11 0.00 -0.71 0.00 0.00 52.86 51.79 1jxs s ASN 58 Cb 0.04 -2.55 0.68 0.00 0.41 0.00 0.00 41.25 39.83 1jxs s ASN 58 CO 0.27 -1.99 1.15 0.54 -1.51 0.00 0.00 177.10 175.55 1jxs n ARG 59 N 9.22 0.58 -0.49 -0.60 1.74 -1.19 -3.56 116.66 122.37 1jxs n ARG 59 Ca 0.14 0.00 0.43 0.00 -0.77 0.00 0.00 57.85 57.66 1jxs n ARG 59 Cb 0.50 -1.31 0.78 0.00 -1.02 0.00 0.00 32.46 31.41 1jxs n ARG 59 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1jxs h TYR 60 N 0.00 0.00 -3.47 -1.55 0.05 -1.88 -3.08 116.97 107.04 1jxs h TYR 60 Ca 0.00 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 58.04 1jxs h TYR 60 Cb 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 37.45 1jxs h TYR 60 CO 0.00 0.00 -0.22 -0.06 -1.05 0.00 0.00 178.16 176.83 1jxs s PHE 61 N -4.89 3.50 -1.16 4.88 0.40 -1.23 -3.13 117.98 116.34 1jxs s PHE 61 Ca -0.05 -2.00 -0.21 0.00 -0.60 0.00 0.00 56.93 54.08 1jxs s PHE 61 Cb 0.24 -3.58 0.05 0.00 0.51 0.00 0.00 43.02 40.25 1jxs s PHE 61 CO 0.83 -0.97 1.64 0.96 0.70 0.00 0.00 175.22 178.38 1jxs s ILE 62 N 0.76 3.97 0.83 0.64 -4.36 0.99 -4.52 121.20 119.52 1jxs s ILE 62 Ca 0.11 -1.30 -0.12 0.00 -0.26 0.00 0.00 60.65 59.07 1jxs s ILE 62 Cb -0.21 -5.05 0.09 0.00 1.25 0.00 0.00 42.46 38.54 1jxs s ILE 62 CO -0.03 -1.89 1.19 -1.59 0.24 0.00 0.00 174.94 172.86 1jxs s LYS 63 N 4.79 1.82 -0.13 0.37 0.00 -1.25 -3.22 119.74 122.13 1jxs s LYS 63 Ca 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 55.97 56.55 1jxs s LYS 63 Cb 0.02 -1.94 0.03 0.00 0.00 0.00 0.00 37.83 35.94 1jxs s LYS 63 CO 0.00 -1.69 -0.04 0.14 0.00 0.00 0.00 175.35 173.77 1jxs s VAL 64 N -3.60 0.82 0.84 1.79 -7.23 -1.12 -4.91 120.40 107.00 1jxs s VAL 64 Ca 0.63 -0.31 -0.13 0.00 -1.81 0.00 0.00 61.98 60.37 1jxs s VAL 64 Cb -0.11 -0.98 0.10 0.00 0.56 0.00 0.00 36.38 35.96 1jxs s VAL 64 CO 0.49 0.21 1.19 -2.16 -0.31 0.00 0.00 175.10 174.52 1jxs s PRO 65 N 1.77 1.68 -0.86 4.82 0.04 -1.26 -4.10 135.00 137.09 1jxs s PRO 65 Ca 0.03 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1jxs s PRO 65 Cb -0.14 -1.92 0.34 0.00 0.04 0.00 0.00 34.50 32.82 1jxs s PRO 65 CO -0.07 -1.79 1.70 0.54 0.04 0.00 0.00 177.00 177.42 1jxs n ARG 66 N -3.44 4.14 0.05 4.56 1.74 -1.26 -4.84 116.66 117.61 1jxs n ARG 66 Ca 0.09 -4.34 -0.05 0.00 -0.77 0.00 0.00 57.85 52.78 1jxs n ARG 66 Cb 0.61 -2.36 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 1jxs n ARG 66 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1jxs h SER 67 N 3.52 -0.45 -0.83 0.55 0.87 -1.94 -3.31 113.55 111.97 1jxs h SER 67 Ca 0.47 0.04 -0.49 0.00 -1.23 0.00 0.00 61.79 60.59 1jxs h SER 67 Cb 0.31 0.16 -0.42 0.00 -0.44 0.00 0.00 62.40 62.01 1jxs h SER 67 CO 1.18 -0.17 -0.89 0.00 -0.53 0.00 0.00 176.83 176.42 1jxs n GLN 68 N -3.29 3.08 0.00 2.24 1.13 -1.26 -4.91 117.38 114.37 1jxs n GLN 68 Ca -0.03 -4.05 0.00 0.00 -1.94 0.00 0.00 57.00 50.99 1jxs n GLN 68 Cb 0.12 -2.09 0.00 0.00 0.11 0.00 0.00 30.24 28.39 1jxs n GLN 68 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1jxs n GLU 69 N -0.62 0.00 -4.30 -1.09 -0.58 -1.25 -5.10 120.64 107.71 1jxs n GLU 69 Ca 0.34 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.92 1jxs n GLU 69 Cb 0.88 -0.01 -0.10 0.00 -0.57 0.00 0.00 31.44 31.64 1jxs n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1jxs s GLU 70 N 0.00 1.31 -0.49 3.49 2.02 -1.26 -5.10 118.70 118.66 1jxs s GLU 70 Ca 0.00 -1.68 -0.29 0.00 0.02 0.00 0.00 54.97 53.03 1jxs s GLU 70 Cb 0.00 -0.35 0.02 0.00 0.10 0.00 0.00 34.13 33.90 1jxs s GLU 70 CO 0.00 -0.20 1.25 -1.25 0.02 0.00 0.00 175.26 175.08 1jxs s PRO 71 N -3.96 3.59 0.00 0.39 0.04 -1.26 -4.87 135.00 128.93 1jxs s PRO 71 Ca 0.31 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1jxs s PRO 71 Cb 0.07 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1jxs s PRO 71 CO 0.10 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1jxs n GLY 72 N 5.00 -0.69 3.56 0.56 0.00 -1.26 -5.18 105.19 107.19 1jxs n GLY 72 Ca 0.12 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1jxs n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jxs s LYS 73 N -0.23 0.76 0.00 1.61 2.20 -1.26 -5.03 119.74 117.80 1jxs s LYS 73 Ca 0.00 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1jxs s LYS 73 Cb 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1jxs s LYS 73 CO 0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1jxs n GLY 74 N 0.93 2.01 3.92 5.54 0.00 -1.26 -5.12 105.19 111.21 1jxs n GLY 74 Ca -0.14 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1jxs n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jxs s SER 75 N 0.00 6.42 -0.15 1.61 0.01 -1.26 -4.93 113.70 115.40 1jxs s SER 75 Ca 0.00 0.52 -0.03 0.00 1.31 0.00 0.00 55.95 57.75 1jxs s SER 75 Cb 0.00 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 1jxs s SER 75 CO 0.00 -0.07 -0.06 0.12 0.41 0.00 0.00 173.24 173.64 1jxs s PHE 76 N -1.89 2.97 -0.30 2.43 2.19 -1.26 -3.95 117.98 118.16 1jxs s PHE 76 Ca 0.40 -0.39 -0.22 0.00 0.33 0.00 0.00 56.93 57.05 1jxs s PHE 76 Cb -0.11 -1.93 -0.01 0.00 -1.31 0.00 0.00 43.02 39.66 1jxs s PHE 76 CO 0.28 -0.09 0.70 -1.58 1.83 0.00 0.00 175.22 176.37 1jxs s TRP 77 N 0.38 3.21 -0.13 10.12 0.52 -0.88 -2.79 118.94 129.37 1jxs s TRP 77 Ca -0.06 0.70 -0.02 0.00 0.02 0.00 0.00 56.10 56.74 1jxs s TRP 77 Cb -0.15 -3.08 -0.03 0.00 -1.15 0.00 0.00 33.47 29.06 1jxs s TRP 77 CO 0.04 -0.51 -0.05 0.50 0.02 0.00 0.00 176.95 176.94 1jxs s ARG 78 N 2.76 3.42 -0.09 4.98 3.52 -1.20 -2.42 118.95 129.92 1jxs s ARG 78 Ca 0.28 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.05 1jxs s ARG 78 Cb -0.15 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.42 1jxs s ARG 78 CO 0.12 0.35 1.04 -1.50 -0.81 0.00 0.00 175.30 174.49 1jxs s ILE 79 N 0.06 4.70 0.96 4.11 1.10 -1.12 -0.00 121.20 131.01 1jxs s ILE 79 Ca -0.01 1.97 -0.15 0.00 -0.51 0.00 0.00 60.65 61.94 1jxs s ILE 79 Cb -0.14 -4.26 0.19 0.00 0.15 0.00 0.00 42.46 38.39 1jxs s ILE 79 CO 0.03 0.02 1.26 -1.81 -2.11 0.00 0.00 174.94 172.33 1jxs s ASP 80 N 1.15 3.12 0.00 4.50 1.11 -1.18 -4.88 116.67 120.48 1jxs s ASP 80 Ca 0.50 0.45 0.24 0.00 0.18 0.00 0.00 52.55 53.91 1jxs s ASP 80 Cb -0.20 -0.63 1.14 0.00 1.07 0.00 0.00 42.92 44.31 1jxs s ASP 80 CO 0.20 -2.74 1.77 -0.81 1.18 0.00 0.00 175.17 174.76 1jxs n PRO 81 N -3.81 0.26 -0.44 8.23 -0.04 -1.26 -2.68 135.00 135.25 1jxs n PRO 81 Ca 0.13 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 1jxs n PRO 81 Cb 0.60 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.71 1jxs n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jxs n ALA 82 N -1.34 2.85 -0.37 0.55 0.00 -1.26 -4.82 120.51 116.12 1jxs n ALA 82 Ca 0.10 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1jxs n ALA 82 Cb 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1jxs n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jxs n SER 83 N -1.04 0.00 -0.27 0.00 7.64 -1.09 -4.71 113.62 114.15 1jxs n SER 83 Ca 0.15 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.26 1jxs n SER 83 Cb 0.71 -0.05 0.38 0.00 -1.01 0.00 0.00 64.21 64.24 1jxs n SER 83 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1jxs n GLU 84 N -1.97 -0.02 -0.26 1.43 -0.00 -1.25 -0.04 120.64 118.54 1jxs n GLU 84 Ca 0.00 0.71 0.06 0.00 -0.00 0.00 0.00 57.16 57.94 1jxs n GLU 84 Cb 0.00 -1.41 0.19 0.00 -0.00 0.00 0.00 31.44 30.23 1jxs n GLU 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1jxs h SER 85 N 0.00 0.11 0.00 -1.84 4.64 -1.88 -0.87 113.55 113.71 1jxs h SER 85 Ca 0.50 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1jxs h SER 85 Cb 1.61 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1jxs h SER 85 CO -0.27 -0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.98 1jxs n LYS 86 N -5.11 0.00 -0.33 4.77 4.76 0.94 -4.19 118.16 119.00 1jxs n LYS 86 Ca 0.15 0.36 0.32 0.00 -2.87 0.00 0.00 58.31 56.27 1jxs n LYS 86 Cb 0.47 -0.85 0.58 0.00 -1.84 0.00 0.00 35.03 33.40 1jxs n LYS 86 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1jxs n LEU 87 N -1.90 0.32 -0.22 -0.35 -0.00 -1.24 0.27 117.00 113.87 1jxs n LEU 87 Ca 0.00 1.57 -0.02 0.00 -0.00 0.00 0.00 56.01 57.55 1jxs n LEU 87 Cb 0.00 -0.76 0.04 0.00 -0.00 0.00 0.00 43.42 42.70 1jxs n LEU 87 CO 0.00 -1.75 0.67 0.16 -0.00 0.00 0.00 177.39 176.47 1jxs h ILE 88 N 0.00 0.22 -0.11 1.47 -0.00 -1.32 0.83 117.51 118.61 1jxs h ILE 88 Ca 0.83 0.00 -0.07 0.00 -0.00 0.00 0.00 64.86 65.62 1jxs h ILE 88 Cb 2.27 0.22 -0.01 0.00 -0.00 0.00 0.00 36.82 39.30 1jxs h ILE 88 CO -0.70 0.00 -0.26 -0.08 -0.00 0.00 0.00 178.15 177.11 1jxs h GLU 89 N -0.09 0.20 0.00 0.16 4.22 -0.35 -0.20 114.58 118.52 1jxs h GLU 89 Ca 0.28 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.66 1jxs h GLU 89 Cb 0.54 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jxs h GLU 89 CO -0.71 0.45 -0.01 0.37 -2.18 0.00 0.00 179.01 176.93 1jxs h GLN 90 N 0.18 0.00 0.00 1.92 5.75 0.81 -2.88 115.11 120.88 1jxs h GLN 90 Ca 0.03 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.33 1jxs h GLN 90 Cb 0.55 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 1jxs h GLN 90 CO 0.04 0.01 -2.17 0.00 -2.65 0.00 0.00 178.83 174.06 1jxs n ALA 91 N -2.09 2.09 1.33 3.38 0.00 0.30 -4.01 120.51 121.50 1jxs n ALA 91 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 53.44 52.54 1jxs n ALA 91 Cb 0.28 -0.47 0.11 0.00 0.00 0.00 0.00 19.45 19.37 1jxs n ALA 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1jxs n PHE 92 N -2.55 0.28 -3.27 0.00 3.72 -0.18 -4.67 117.46 110.79 1jxs n PHE 92 Ca -0.19 -0.14 0.03 0.00 -0.05 0.00 0.00 57.45 57.10 1jxs n PHE 92 Cb 0.89 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.41 1jxs n PHE 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1jxs s ARG 93 N -1.72 0.46 0.29 -1.08 3.52 -1.11 -5.04 118.95 114.26 1jxs s ARG 93 Ca 0.15 0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 56.37 1jxs s ARG 93 Cb 0.08 0.52 -0.12 0.00 -1.56 0.00 0.00 34.95 33.88 1jxs s ARG 93 CO 0.10 -0.40 1.58 1.17 -0.81 0.00 0.00 175.30 176.94 1jxs n LYS 94 N 5.39 2.65 -2.82 5.12 4.81 -1.26 -4.70 118.16 127.35 1jxs n LYS 94 Ca -0.05 0.94 -0.43 0.00 -0.87 0.00 0.00 58.31 57.90 1jxs n LYS 94 Cb 0.51 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 1jxs n LYS 94 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1jxs s ARG 95 N -0.56 3.28 -0.09 1.64 1.70 -1.26 -4.86 118.95 118.81 1jxs s ARG 95 Ca 0.64 -1.05 -0.25 0.00 -0.47 0.00 0.00 55.73 54.61 1jxs s ARG 95 Cb -0.51 -4.50 -0.21 0.00 -0.57 0.00 0.00 34.95 29.16 1jxs s ARG 95 CO 0.49 -1.87 0.88 -0.09 -1.08 0.00 0.00 175.30 173.63 1jxs h ARG 96 N 9.44 -0.04 -6.96 3.89 2.43 -1.94 -3.45 114.38 117.76 1jxs h ARG 96 Ca -0.13 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.58 1jxs h ARG 96 Cb 1.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1jxs h ARG 96 CO 1.19 0.64 0.37 -1.25 -1.51 0.00 0.00 179.97 179.41 1jxs s PRO 97 N -2.99 4.34 0.00 0.20 0.04 -1.26 -5.20 135.00 130.13 1jxs s PRO 97 Ca -0.16 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1jxs s PRO 97 Cb -0.01 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1jxs s PRO 97 CO 0.60 0.05 0.00 -2.13 0.04 0.00 0.00 177.00 175.56