#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxs s SER 2 N 0.00 -1.04 -0.86 1.67 0.01 -1.26 -5.07 113.70 107.14 1jxs s SER 2 Ca 0.00 0.75 -0.23 0.00 1.31 0.00 0.00 55.95 57.78 1jxs s SER 2 Cb 0.00 1.95 -0.21 0.00 0.21 0.00 0.00 66.02 67.97 1jxs s SER 2 CO 0.00 -0.27 2.23 1.17 0.41 0.00 0.00 173.24 176.78 1jxs n LYS 3 N 5.42 0.00 -2.69 12.44 4.81 -1.26 -4.80 118.16 132.08 1jxs n LYS 3 Ca -0.02 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.00 1jxs n LYS 3 Cb 0.51 -1.20 -0.02 0.00 0.02 0.00 0.00 35.03 34.33 1jxs n LYS 3 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1jxs s PRO 4 N 7.40 4.28 0.44 1.64 0.04 -1.26 -5.03 135.00 142.51 1jxs s PRO 4 Ca 1.17 1.33 -0.22 0.00 0.04 0.00 0.00 61.00 63.31 1jxs s PRO 4 Cb -1.01 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 29.81 1jxs s PRO 4 CO 0.44 -0.57 1.01 -1.25 0.04 0.00 0.00 177.00 176.66 1jxs s PRO 5 N 3.00 4.06 0.50 0.56 0.04 -1.26 -5.02 135.00 136.87 1jxs s PRO 5 Ca 0.44 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.85 1jxs s PRO 5 Cb -0.15 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 1jxs s PRO 5 CO 0.08 -0.21 0.16 0.71 0.04 0.00 0.00 177.00 177.78 1jxs s TYR 6 N -1.92 1.91 0.47 0.56 2.02 -1.26 -5.05 117.35 114.08 1jxs s TYR 6 Ca 0.62 -0.86 -0.19 0.00 -0.37 0.00 0.00 57.07 56.27 1jxs s TYR 6 Cb -0.16 -1.76 -0.09 0.00 -0.40 0.00 0.00 41.96 39.54 1jxs s TYR 6 CO 0.20 0.00 0.98 -1.12 -1.57 0.00 0.00 175.55 174.04 1jxs s SER 7 N -4.01 6.71 0.10 2.29 0.01 -1.26 -4.86 113.70 112.68 1jxs s SER 7 Ca 0.21 1.70 0.10 0.00 1.31 0.00 0.00 55.95 59.27 1jxs s SER 7 Cb 0.01 -2.53 0.48 0.00 0.21 0.00 0.00 66.02 64.19 1jxs s SER 7 CO 0.12 -0.52 1.31 -1.22 0.41 0.00 0.00 173.24 173.34 1jxs n TYR 8 N -1.01 0.24 0.06 2.43 4.01 -1.26 -1.65 117.16 119.97 1jxs n TYR 8 Ca 0.07 0.12 -0.22 0.00 -0.16 0.00 0.00 57.90 57.71 1jxs n TYR 8 Cb 0.54 -0.69 -0.15 0.00 -0.31 0.00 0.00 39.34 38.73 1jxs n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jxs h ALA 9 N 2.13 0.07 -0.05 -0.72 0.00 -1.94 -3.35 119.26 115.40 1jxs h ALA 9 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 54.91 53.81 1jxs h ALA 9 Cb 0.09 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jxs h ALA 9 CO 0.00 0.80 -0.33 1.96 0.00 0.00 0.00 179.25 181.68 1jxs h GLN 10 N -0.11 0.32 -0.19 0.00 4.20 -1.58 -3.10 115.11 114.64 1jxs h GLN 10 Ca -0.29 -0.27 0.06 0.00 0.06 0.00 0.00 58.65 58.21 1jxs h GLN 10 Cb 1.92 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1jxs h GLN 10 CO 0.15 0.92 0.75 -0.07 -0.67 0.00 0.00 178.83 179.91 1jxs h LEU 11 N -0.20 0.00 0.02 1.46 3.38 -1.48 0.72 115.31 119.21 1jxs h LEU 11 Ca -0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 1jxs h LEU 11 Cb 0.99 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1jxs h LEU 11 CO 0.07 0.00 -1.77 -0.38 0.09 0.00 0.00 178.44 176.44 1jxs n ILE 12 N -2.87 1.57 0.23 1.22 5.41 -1.18 -4.15 119.36 119.59 1jxs n ILE 12 Ca 0.04 -0.24 -0.15 0.00 1.00 0.00 0.00 62.75 63.40 1jxs n ILE 12 Cb 0.83 -1.92 -0.08 0.00 -0.71 0.00 0.00 39.64 37.76 1jxs n ILE 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1jxs h VAL 13 N -0.79 0.00 -1.15 1.39 2.07 -0.83 -0.36 116.25 116.58 1jxs h VAL 13 Ca -0.47 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.39 1jxs h VAL 13 Cb 1.52 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1jxs h VAL 13 CO -0.22 0.00 1.17 0.06 0.02 0.00 0.00 177.57 178.60 1jxs h GLN 14 N -0.83 0.00 0.10 1.57 3.07 -1.53 0.51 115.11 118.01 1jxs h GLN 14 Ca -0.05 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.50 1jxs h GLN 14 Cb 0.72 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.29 1jxs h GLN 14 CO -0.07 0.00 -0.95 0.00 0.09 0.00 0.00 178.83 177.91 1jxs h ALA 15 N 0.74 0.04 0.55 0.06 0.00 -1.25 -2.65 119.26 116.75 1jxs h ALA 15 Ca 0.55 -0.85 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1jxs h ALA 15 Cb 2.88 0.27 0.01 0.00 0.00 0.00 0.00 17.79 20.95 1jxs h ALA 15 CO -0.01 0.51 -0.26 0.82 0.00 0.00 0.00 179.25 180.31 1jxs h ILE 16 N -0.49 0.07 -0.71 0.00 1.08 0.62 -0.20 117.51 117.87 1jxs h ILE 16 Ca -0.20 -0.46 0.09 0.00 -0.39 0.00 0.00 64.86 63.90 1jxs h ILE 16 Cb 1.57 0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 35.35 1jxs h ILE 16 CO 0.07 0.01 0.36 0.71 -0.69 0.00 0.00 178.15 178.61 1jxs h THR 17 N -1.17 0.85 0.00 -0.27 1.35 -1.26 0.15 112.91 112.56 1jxs h THR 17 Ca -0.08 -0.21 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1jxs h THR 17 Cb 0.59 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1jxs h THR 17 CO 0.12 0.11 -0.20 -0.03 -0.25 0.00 0.00 175.52 175.28 1jxs h MET 18 N 0.61 0.00 -6.79 4.72 1.85 -1.48 -3.42 114.93 110.41 1jxs h MET 18 Ca 0.35 0.00 -0.52 0.00 -0.61 0.00 0.00 59.70 58.92 1jxs h MET 18 Cb 0.37 0.00 0.05 0.00 0.43 0.00 0.00 31.60 32.44 1jxs h MET 18 CO -0.27 0.20 0.63 0.00 -0.40 0.00 0.00 176.91 177.07 1jxs s ALA 19 N -4.45 3.51 -0.78 0.39 0.00 0.53 -4.89 121.76 116.06 1jxs s ALA 19 Ca -0.03 1.17 0.26 0.00 0.00 0.00 0.00 51.96 53.36 1jxs s ALA 19 Cb 0.15 -3.47 0.92 0.00 0.00 0.00 0.00 23.12 20.72 1jxs s ALA 19 CO 0.67 -0.55 1.80 -0.35 0.00 0.00 0.00 175.76 177.33 1jxs n PRO 20 N 1.64 0.19 0.00 0.00 -0.04 -1.26 -3.01 135.00 132.52 1jxs n PRO 20 Ca 0.03 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 1jxs n PRO 20 Cb 0.42 -1.73 0.10 0.00 -0.04 0.00 0.00 33.50 32.25 1jxs n PRO 20 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jxs n ASP 21 N -2.07 2.66 -0.64 3.54 -0.08 -1.26 -4.93 116.55 113.77 1jxs n ASP 21 Ca 0.06 -1.84 -0.08 0.00 -1.51 0.00 0.00 54.79 51.41 1jxs n ASP 21 Cb 0.39 0.11 -0.04 0.00 2.34 0.00 0.00 41.12 43.93 1jxs n ASP 21 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1jxs n LYS 22 N 0.93 -1.03 -3.96 -0.67 4.81 -1.16 -4.97 118.16 112.11 1jxs n LYS 22 Ca 0.13 0.73 -0.12 0.00 -0.87 0.00 0.00 58.31 58.18 1jxs n LYS 22 Cb 0.55 -4.74 -0.13 0.00 0.02 0.00 0.00 35.03 30.74 1jxs n LYS 22 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1jxs s GLN 23 N -2.44 0.21 -0.02 1.64 -0.21 -1.26 -2.95 119.66 114.62 1jxs s GLN 23 Ca 0.00 -0.31 -0.04 0.00 0.02 0.00 0.00 55.36 55.03 1jxs s GLN 23 Cb 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.97 1jxs s GLN 23 CO 0.00 0.00 0.10 -0.51 -2.12 0.00 0.00 175.29 172.76 1jxs s LEU 24 N -0.68 1.65 0.68 2.90 2.01 -1.11 -4.88 118.68 119.25 1jxs s LEU 24 Ca -0.06 0.02 -0.11 0.00 0.01 0.00 0.00 54.13 53.98 1jxs s LEU 24 Cb -0.05 0.43 -0.00 0.00 0.01 0.00 0.00 46.19 46.58 1jxs s LEU 24 CO -0.00 -0.16 1.08 -0.89 1.01 0.00 0.00 176.35 177.38 1jxs s THR 25 N -0.52 3.83 0.33 5.49 2.01 -1.26 -1.84 115.64 123.67 1jxs s THR 25 Ca -0.06 0.59 0.09 0.00 0.31 0.00 0.00 61.69 62.63 1jxs s THR 25 Cb -0.04 -3.58 0.32 0.00 0.01 0.00 0.00 72.50 69.21 1jxs s THR 25 CO 0.00 -0.78 1.76 0.25 -0.69 0.00 0.00 174.62 175.17 1jxs h LEU 26 N -0.57 0.69 -0.69 4.42 6.46 -1.91 0.49 115.31 124.19 1jxs h LEU 26 Ca -0.45 0.11 0.15 0.00 -0.12 0.00 0.00 57.88 57.57 1jxs h LEU 26 Cb 1.24 -0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 41.04 1jxs h LEU 26 CO 0.63 0.18 0.05 0.78 -0.62 0.00 0.00 178.44 179.46 1jxs h ASN 27 N 0.63 -0.22 0.00 1.25 2.35 -1.93 -3.10 115.58 114.57 1jxs h ASN 27 Ca 0.60 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.52 1jxs h ASN 27 Cb 1.11 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1jxs h ASN 27 CO -0.40 -0.12 0.00 0.61 -1.65 0.00 0.00 177.43 175.87 1jxs n GLY 28 N -1.38 0.00 0.19 2.83 0.00 0.17 0.12 105.19 107.12 1jxs n GLY 28 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.23 -0.61 5.03 -1.72 0.78 117.51 121.21 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 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.78 1jxs h ILE 29 CO 0.00 0.00 -0.22 1.88 -0.68 0.00 0.00 178.15 179.13 1jxs h TYR 30 N -0.06 -0.60 0.00 1.37 0.05 0.74 -0.66 116.97 117.81 1jxs h TYR 30 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1jxs h TYR 30 Cb 0.21 0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1jxs h TYR 30 CO -0.88 -0.29 0.00 2.41 -1.05 0.00 0.00 178.16 178.35 1jxs n THR 31 N -3.66 0.26 -0.05 -2.88 -1.04 0.35 -1.97 114.28 105.30 1jxs n THR 31 Ca -0.05 0.06 -0.05 0.00 -2.04 0.00 0.00 64.05 61.98 1jxs n THR 31 Cb 0.20 -1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 67.64 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 -1.07 0.00 -0.31 -1.42 -0.00 0.27 -3.99 115.22 108.70 1jxs n HIS 32 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1jxs n HIS 32 Cb 0.00 -0.26 0.27 0.00 -0.00 0.00 0.00 29.99 30.00 1jxs n HIS 32 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 1jxs h ILE 33 N -0.52 0.68 -0.00 3.57 -0.00 -1.09 -0.75 117.51 119.40 1jxs h ILE 33 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 64.86 64.65 1jxs h ILE 33 Cb 0.52 -0.00 -0.00 0.00 -0.00 0.00 0.00 36.82 37.33 1jxs h ILE 33 CO 0.00 0.12 -0.02 0.71 -0.00 0.00 0.00 178.15 178.96 1jxs h THR 34 N 0.63 0.95 0.00 2.19 1.35 -1.61 0.86 112.91 117.28 1jxs h THR 34 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.37 1jxs h THR 34 Cb 0.79 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1jxs h THR 34 CO -0.39 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.05 1jxs n LYS 35 N -5.12 0.02 0.00 4.72 3.00 -0.50 -4.18 118.16 116.09 1jxs n LYS 35 Ca -0.07 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1jxs n LYS 35 Cb 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1jxs n LYS 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1jxs n ASN 36 N -1.57 0.00 -4.32 3.14 3.02 -0.06 -5.00 115.26 110.46 1jxs n ASN 36 Ca 0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.25 1jxs n ASN 36 Cb 0.14 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.47 1jxs n ASN 36 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jxs n TYR 37 N -0.26 -1.43 0.11 3.10 4.01 0.10 -4.95 117.16 117.84 1jxs n TYR 37 Ca 0.00 0.16 -0.05 0.00 -0.16 0.00 0.00 57.90 57.85 1jxs n TYR 37 Cb 0.00 -1.63 -0.03 0.00 -0.31 0.00 0.00 39.34 37.37 1jxs n TYR 37 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1jxs h PRO 38 N -1.93 -0.33 -5.78 -0.72 0.13 -1.85 -3.44 132.00 118.08 1jxs h PRO 38 Ca -0.51 0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 1jxs h PRO 38 Cb 1.34 0.08 -0.12 0.00 0.13 0.00 0.00 31.00 32.42 1jxs h PRO 38 CO 0.37 -0.22 -0.59 1.52 -0.23 0.00 0.00 178.00 178.86 1jxs s TYR 39 N -2.72 2.53 0.00 1.56 1.13 -1.26 -4.95 117.35 113.64 1jxs s TYR 39 Ca -0.05 -0.61 0.00 0.00 -1.41 0.00 0.00 57.07 55.00 1jxs s TYR 39 Cb 0.01 -1.75 0.00 0.00 -1.10 0.00 0.00 41.96 39.11 1jxs s TYR 39 CO 0.15 0.41 0.00 0.98 -2.51 0.00 0.00 175.55 174.58 1jxs n TYR 40 N -1.01 0.00 1.09 -3.49 4.19 -1.26 -4.90 117.16 111.78 1jxs n TYR 40 Ca -0.04 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.29 1jxs n TYR 40 Cb 0.66 0.00 0.25 0.00 0.49 0.00 0.00 39.34 40.74 1jxs n TYR 40 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1jxs n ARG 41 N 0.00 0.38 0.00 2.98 0.63 -1.26 -3.48 116.66 115.91 1jxs n ARG 41 Ca 0.00 -0.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 1jxs n ARG 41 Cb 0.00 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1jxs n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1jxs n THR 42 N -1.10 0.00 0.25 5.15 -2.24 -1.26 -3.96 114.28 111.12 1jxs n THR 42 Ca 0.08 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.03 1jxs n THR 42 Cb 0.35 -0.46 0.81 0.00 -2.10 0.00 0.00 70.33 68.92 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxs h ALA 43 N -2.00 1.60 -6.40 6.98 0.00 -2.01 -3.45 119.26 113.98 1jxs h ALA 43 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1jxs h ALA 43 Cb 0.00 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jxs h ALA 43 CO 0.00 -0.42 -1.13 -0.40 0.00 0.00 0.00 179.25 177.30 1jxs n ASP 44 N -3.21 -5.88 -4.60 0.00 5.75 -1.23 -4.78 116.55 102.60 1jxs n ASP 44 Ca 0.01 -0.01 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 1jxs n ASP 44 Cb 0.44 -2.05 -0.02 0.00 -1.03 0.00 0.00 41.12 38.47 1jxs n ASP 44 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1jxs s LYS 45 N -2.30 3.55 0.00 0.11 2.20 -1.26 -4.67 119.74 117.37 1jxs s LYS 45 Ca 0.33 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1jxs s LYS 45 Cb -0.04 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1jxs s LYS 45 CO 0.78 -1.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 1jxs n GLY 46 N 5.10 0.00 0.00 5.54 0.00 -1.26 -4.52 105.19 110.05 1jxs n GLY 46 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.00 -0.07 1.61 4.27 -1.26 -4.48 117.44 117.50 1jxs n TRP 47 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 1jxs n TRP 47 Cb 0.00 -0.10 -0.10 0.00 -1.36 0.00 0.00 31.31 29.75 1jxs n TRP 47 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1jxs h GLN 48 N 0.00 0.00 -1.08 -2.67 4.20 -1.96 -3.13 115.11 110.46 1jxs h GLN 48 Ca 0.00 0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.02 1jxs h GLN 48 Cb 0.49 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.15 1jxs h GLN 48 CO 0.00 0.81 0.68 -0.91 -0.67 0.00 0.00 178.83 178.74 1jxs h ASN 49 N -1.00 0.45 -0.45 1.46 2.35 -1.96 0.54 115.58 116.98 1jxs h ASN 49 Ca -0.03 0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 1jxs h ASN 49 Cb 0.84 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1jxs h ASN 49 CO -0.02 -0.01 -0.26 0.28 -1.65 0.00 0.00 177.43 175.78 1jxs h SER 50 N 0.35 1.00 0.00 5.81 0.02 -1.79 -3.16 113.55 115.79 1jxs h SER 50 Ca 0.67 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1jxs h SER 50 Cb 1.71 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1jxs h SER 50 CO -0.41 1.20 0.00 -0.38 -1.14 0.00 0.00 176.83 176.10 1jxs n ILE 51 N -4.12 0.00 -0.46 3.27 2.08 0.19 -0.88 119.36 119.45 1jxs n ILE 51 Ca -0.01 1.30 0.39 0.00 0.56 0.00 0.00 62.75 64.99 1jxs n ILE 51 Cb 0.48 -2.11 0.60 0.00 -0.75 0.00 0.00 39.64 37.86 1jxs n ILE 51 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1jxs n ARG 52 N -1.68 0.01 0.22 0.38 0.63 -1.13 0.20 116.66 115.27 1jxs n ARG 52 Ca 0.00 0.97 -0.15 0.00 -0.92 0.00 0.00 57.85 57.74 1jxs n ARG 52 Cb 0.00 -2.30 -0.08 0.00 0.45 0.00 0.00 32.46 30.53 1jxs n ARG 52 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1jxs h HIS 53 N 0.00 -0.46 0.00 -0.14 2.76 -0.97 -2.37 115.15 113.97 1jxs h HIS 53 Ca 0.68 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.81 1jxs h HIS 53 Cb 3.13 0.15 -0.00 0.00 1.55 0.00 0.00 27.41 32.24 1jxs h HIS 53 CO 0.00 -0.26 -0.14 -2.95 -1.30 0.00 0.00 177.93 173.28 1jxs h ASN 54 N -0.53 0.00 -0.25 3.26 -1.07 -0.07 -1.53 115.58 115.38 1jxs h ASN 54 Ca -0.05 0.00 0.07 0.00 0.07 0.00 0.00 56.30 56.39 1jxs h ASN 54 Cb 0.40 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.64 1jxs h ASN 54 CO 0.08 0.14 0.22 -0.07 0.07 0.00 0.00 177.43 177.88 1jxs h LEU 55 N 0.00 0.00 0.00 6.14 -0.00 -1.10 0.15 115.31 120.50 1jxs h LEU 55 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 1jxs h LEU 55 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1jxs h LEU 55 CO 0.02 0.00 -1.41 -1.20 -0.00 0.00 0.00 178.44 175.84 1jxs n SER 56 N -4.08 1.94 -0.08 -0.43 7.64 -0.86 -4.59 113.62 113.17 1jxs n SER 56 Ca 0.03 0.33 -0.06 0.00 1.01 0.00 0.00 58.87 60.18 1jxs n SER 56 Cb 0.37 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 1jxs n SER 56 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1jxs h LEU 57 N -1.00 -0.85 -8.44 -3.43 5.85 -1.21 -3.18 115.31 103.06 1jxs h LEU 57 Ca -0.19 0.11 -0.53 0.00 0.84 0.00 0.00 57.88 58.11 1jxs h LEU 57 Cb 1.16 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 1jxs h LEU 57 CO -0.11 -0.17 1.14 0.20 -0.34 0.00 0.00 178.44 179.15 1jxs s ASN 58 N -3.80 5.95 0.00 1.25 0.01 0.51 -4.82 114.94 114.04 1jxs s ASN 58 Ca -0.06 -0.12 0.10 0.00 -0.71 0.00 0.00 52.86 52.08 1jxs s ASN 58 Cb 0.04 -2.55 0.63 0.00 0.41 0.00 0.00 41.25 39.77 1jxs s ASN 58 CO 0.27 -1.94 1.13 0.54 -1.51 0.00 0.00 177.10 175.60 1jxs n ARG 59 N 9.18 0.63 -0.04 -0.60 3.00 -1.20 -3.52 116.66 124.11 1jxs n ARG 59 Ca 0.09 0.00 0.24 0.00 -0.01 0.00 0.00 57.85 58.17 1jxs n ARG 59 Cb 0.50 -1.26 0.65 0.00 0.00 0.00 0.00 32.46 32.35 1jxs n ARG 59 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1jxs h TYR 60 N 0.00 0.00 -3.52 -1.55 0.05 -1.88 -3.16 116.97 106.91 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 -0.30 0.00 1.01 0.00 0.00 36.73 37.44 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 -4.56 3.52 -1.08 4.88 0.40 -1.23 -3.10 117.98 116.80 1jxs s PHE 61 Ca -0.04 -2.12 -0.22 0.00 -0.60 0.00 0.00 56.93 53.96 1jxs s PHE 61 Cb 0.15 -3.53 0.03 0.00 0.51 0.00 0.00 43.02 40.18 1jxs s PHE 61 CO 0.53 -0.95 1.63 0.96 0.70 0.00 0.00 175.22 178.09 1jxs s ILE 62 N 0.59 3.88 0.58 0.64 -4.36 0.23 -4.56 121.20 118.20 1jxs s ILE 62 Ca 0.13 -1.01 -0.10 0.00 -0.26 0.00 0.00 60.65 59.41 1jxs s ILE 62 Cb -0.20 -4.91 -0.04 0.00 1.25 0.00 0.00 42.46 38.56 1jxs s ILE 62 CO -0.04 -1.75 0.97 -1.59 0.24 0.00 0.00 174.94 172.77 1jxs s LYS 63 N 5.19 3.60 0.25 0.37 0.00 -1.25 -3.28 119.74 124.62 1jxs s LYS 63 Ca 0.53 0.64 0.12 0.00 0.00 0.00 0.00 55.97 57.25 1jxs s LYS 63 Cb -0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 37.83 35.63 1jxs s LYS 63 CO -0.03 -0.48 -0.19 0.14 0.00 0.00 0.00 175.35 174.80 1jxs s VAL 64 N -3.06 2.56 -0.06 1.79 -7.23 -1.08 -4.94 120.40 108.38 1jxs s VAL 64 Ca 0.53 -2.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1jxs s VAL 64 Cb -0.11 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 1jxs s VAL 64 CO 0.51 -0.32 0.10 1.55 -0.31 0.00 0.00 175.10 176.63 1jxs h PRO 65 N 2.49 -0.06 0.00 4.82 0.13 -1.93 -3.36 132.00 134.09 1jxs h PRO 65 Ca -0.42 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.36 1jxs h PRO 65 Cb 1.24 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 1jxs h PRO 65 CO 0.57 -0.04 -0.33 0.54 -0.23 0.00 0.00 178.00 178.51 1jxs n ARG 66 N -3.86 0.44 0.00 0.86 1.74 -1.26 -4.46 116.66 110.12 1jxs n ARG 66 Ca -0.01 -2.36 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 1jxs n ARG 66 Cb 0.03 1.67 0.00 0.00 -1.02 0.00 0.00 32.46 33.14 1jxs n ARG 66 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jxs n SER 67 N -1.93 0.00 -2.10 0.55 2.88 -1.26 -4.97 113.62 106.79 1jxs n SER 67 Ca 0.02 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.31 1jxs n SER 67 Cb 0.42 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1jxs n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jxs n GLN 68 N -0.72 3.56 -3.28 -1.46 10.64 -1.26 -4.86 117.38 119.99 1jxs n GLN 68 Ca 0.00 -4.18 -0.21 0.00 -1.83 0.00 0.00 57.00 50.78 1jxs n GLN 68 Cb 0.00 -2.28 -0.08 0.00 -0.86 0.00 0.00 30.24 27.03 1jxs n GLN 68 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1jxs s GLU 69 N -3.60 0.84 0.04 2.61 0.41 -1.26 -5.00 118.70 112.74 1jxs s GLU 69 Ca 0.51 -1.59 -0.25 0.00 -0.41 0.00 0.00 54.97 53.23 1jxs s GLU 69 Cb 0.41 -1.02 -0.17 0.00 -1.78 0.00 0.00 34.13 31.57 1jxs s GLU 69 CO 0.00 -1.32 1.53 1.49 -0.49 0.00 0.00 175.26 176.47 1jxs h GLU 70 N 5.95 -0.05 -6.12 1.61 4.22 -1.93 -3.38 114.58 114.88 1jxs h GLU 70 Ca 0.17 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 59.03 1jxs h GLU 70 Cb 0.98 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 1jxs h GLU 70 CO 0.26 0.16 0.83 -1.25 -2.18 0.00 0.00 179.01 176.84 1jxs s PRO 71 N -5.36 4.23 0.00 0.92 0.04 -1.26 -4.62 135.00 128.95 1jxs s PRO 71 Ca -0.14 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1jxs s PRO 71 Cb 0.04 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1jxs s PRO 71 CO 0.66 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1jxs n GLY 72 N 3.45 1.00 0.08 0.56 0.00 -1.26 -4.88 105.19 104.14 1jxs n GLY 72 Ca 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1jxs n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jxs n LYS 73 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.16 118.16 116.35 1jxs n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jxs n LYS 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1jxs n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jxs n GLY 74 N -1.02 -2.45 3.64 3.14 0.00 -1.26 -4.42 105.19 102.82 1jxs n GLY 74 Ca 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 1jxs n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jxs s SER 75 N -2.97 -0.86 -0.08 1.61 0.15 -1.26 -4.69 113.70 105.59 1jxs s SER 75 Ca 0.00 1.36 -0.06 0.00 0.70 0.00 0.00 55.95 57.96 1jxs s SER 75 Cb 0.00 1.42 0.03 0.00 -1.71 0.00 0.00 66.02 65.76 1jxs s SER 75 CO 0.00 -0.21 0.21 0.12 1.20 0.00 0.00 173.24 174.55 1jxs s PHE 76 N 1.68 -0.25 -0.47 3.44 5.36 -1.26 -4.31 117.98 122.17 1jxs s PHE 76 Ca -0.09 0.61 -0.13 0.00 -0.96 0.00 0.00 56.93 56.36 1jxs s PHE 76 Cb -0.05 0.04 0.09 0.00 -0.34 0.00 0.00 43.02 42.75 1jxs s PHE 76 CO -0.19 -0.16 0.37 -1.58 -1.46 0.00 0.00 175.22 172.20 1jxs s TRP 77 N 0.67 3.28 -0.00 10.12 0.52 -0.77 -2.64 118.94 130.14 1jxs s TRP 77 Ca -0.05 -1.21 -0.03 0.00 0.02 0.00 0.00 56.10 54.83 1jxs s TRP 77 Cb -0.06 -3.24 -0.04 0.00 -1.15 0.00 0.00 33.47 28.98 1jxs s TRP 77 CO -0.04 -0.86 0.19 1.03 0.02 0.00 0.00 176.95 177.29 1jxs s ARG 78 N 1.56 3.45 -0.15 4.98 0.52 -1.20 -2.76 118.95 125.34 1jxs s ARG 78 Ca 0.04 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 54.72 1jxs s ARG 78 Cb -0.25 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1jxs s ARG 78 CO 0.04 0.67 0.65 -1.50 0.02 0.00 0.00 175.30 175.18 1jxs s ILE 79 N -1.34 5.03 0.98 1.52 1.10 -1.15 0.75 121.20 128.09 1jxs s ILE 79 Ca 0.28 1.27 -0.15 0.00 -0.51 0.00 0.00 60.65 61.54 1jxs s ILE 79 Cb -0.13 -3.97 0.19 0.00 0.15 0.00 0.00 42.46 38.70 1jxs s ILE 79 CO 0.19 0.16 1.21 -1.81 -2.11 0.00 0.00 174.94 172.59 1jxs s ASP 80 N 1.02 2.96 0.00 4.50 1.01 -1.18 -4.85 116.67 120.13 1jxs s ASP 80 Ca 0.31 0.58 0.22 0.00 0.71 0.00 0.00 52.55 54.38 1jxs s ASP 80 Cb -0.16 -0.86 1.17 0.00 1.01 0.00 0.00 42.92 44.08 1jxs s ASP 80 CO 0.12 -2.86 1.73 -0.81 0.21 0.00 0.00 175.17 173.57 1jxs n PRO 81 N -3.91 0.39 -0.32 8.23 -0.04 -1.26 -2.43 135.00 135.67 1jxs n PRO 81 Ca 0.12 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 1jxs n PRO 81 Cb 0.60 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.23 2.41 -0.36 0.55 0.00 -1.26 -4.84 120.51 115.77 1jxs n ALA 82 Ca 0.12 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1jxs n ALA 82 Cb 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.97 0.00 -0.15 0.00 7.64 -1.02 -4.73 113.62 114.39 1jxs n SER 83 Ca 0.12 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.02 1jxs n SER 83 Cb 0.69 -0.11 0.05 0.00 -1.01 0.00 0.00 64.21 63.83 1jxs n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1jxs n GLU 84 N -2.01 -0.05 -0.31 1.43 2.13 -1.24 0.52 120.64 121.10 1jxs n GLU 84 Ca 0.00 0.63 0.09 0.00 0.66 0.00 0.00 57.16 58.55 1jxs n GLU 84 Cb 0.00 -0.94 0.21 0.00 0.27 0.00 0.00 31.44 30.98 1jxs n GLU 84 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jxs h SER 85 N 0.00 -0.51 0.00 4.31 4.64 -1.88 -0.50 113.55 119.61 1jxs h SER 85 Ca 0.18 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1jxs h SER 85 Cb 0.28 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1jxs h SER 85 CO -0.42 -0.28 0.00 0.29 -0.87 0.00 0.00 176.83 175.55 1jxs n LYS 86 N -5.46 0.00 -0.36 4.77 4.01 0.18 -4.06 118.16 117.25 1jxs n LYS 86 Ca 0.18 0.11 0.33 0.00 -0.51 0.00 0.00 58.31 58.42 1jxs n LYS 86 Cb 0.60 -0.66 0.58 0.00 -0.51 0.00 0.00 35.03 35.04 1jxs n LYS 86 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 1jxs n LEU 87 N -0.82 0.27 -0.18 -0.35 -0.00 -1.23 0.10 117.00 114.79 1jxs n LEU 87 Ca 0.00 1.43 -0.04 0.00 -0.00 0.00 0.00 56.01 57.39 1jxs n LEU 87 Cb 0.00 -0.70 0.02 0.00 -0.00 0.00 0.00 43.42 42.74 1jxs n LEU 87 CO 0.00 -1.58 0.67 0.16 -0.00 0.00 0.00 177.39 176.64 1jxs h ILE 88 N 0.00 0.26 -0.10 1.47 -0.00 -1.24 0.80 117.51 118.70 1jxs h ILE 88 Ca 0.80 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 65.61 1jxs h ILE 88 Cb 2.31 0.26 -0.01 0.00 -0.00 0.00 0.00 36.82 39.38 1jxs h ILE 88 CO -0.59 0.00 -0.14 -0.08 -0.00 0.00 0.00 178.15 177.34 1jxs h GLU 89 N -0.13 0.15 0.00 0.16 4.81 -0.48 0.62 114.58 119.71 1jxs h GLU 89 Ca 0.24 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1jxs h GLU 89 Cb 0.52 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1jxs h GLU 89 CO -0.63 0.30 -0.13 0.37 -0.73 0.00 0.00 179.01 178.19 1jxs h GLN 90 N 0.14 0.00 0.00 1.92 5.75 0.64 -2.79 115.11 120.77 1jxs h GLN 90 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1jxs h GLN 90 Cb 0.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1jxs h GLN 90 CO 0.02 0.13 -1.66 0.00 -2.65 0.00 0.00 178.83 174.67 1jxs n ALA 91 N -2.19 3.10 -0.72 3.38 0.00 0.29 -4.15 120.51 120.22 1jxs n ALA 91 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 1jxs n ALA 91 Cb 0.34 -0.81 0.20 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.18 2.25 -3.21 0.00 3.72 0.08 -4.49 117.46 113.63 1jxs n PHE 92 Ca -0.02 -1.29 -0.23 0.00 -0.05 0.00 0.00 57.45 55.85 1jxs n PHE 92 Cb 0.52 -0.70 -0.06 0.00 -0.94 0.00 0.00 39.48 38.30 1jxs n PHE 92 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1jxs n ARG 93 N -0.44 1.31 -0.58 -1.08 5.12 -1.20 -5.00 116.66 114.81 1jxs n ARG 93 Ca 0.41 -3.66 -0.30 0.00 -1.93 0.00 0.00 57.85 52.37 1jxs n ARG 93 Cb 1.32 -1.60 0.21 0.00 -1.16 0.00 0.00 32.46 31.23 1jxs n ARG 93 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1jxs n LYS 94 N 0.90 -1.46 -3.83 5.56 2.85 -1.26 -4.98 118.16 115.94 1jxs n LYS 94 Ca 0.24 -0.38 -0.36 0.00 -1.05 0.00 0.00 58.31 56.76 1jxs n LYS 94 Cb 0.53 -2.26 -0.13 0.00 -0.65 0.00 0.00 35.03 32.51 1jxs n LYS 94 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1jxs s ARG 95 N -4.50 2.82 -0.38 -1.58 3.00 -1.26 -5.02 118.95 112.03 1jxs s ARG 95 Ca 0.68 -1.02 0.02 0.00 0.00 0.00 0.00 55.73 55.40 1jxs s ARG 95 Cb -0.24 -3.28 0.15 0.00 0.00 0.00 0.00 34.95 31.59 1jxs s ARG 95 CO 0.62 -0.51 0.27 0.50 0.00 0.00 0.00 175.30 176.17 1jxs s ARG 96 N 1.40 0.72 0.00 3.54 3.52 -1.26 -5.02 118.95 121.85 1jxs s ARG 96 Ca -0.00 -1.69 0.00 0.00 -0.13 0.00 0.00 55.73 53.91 1jxs s ARG 96 Cb -0.18 -1.37 0.00 0.00 -1.56 0.00 0.00 34.95 31.84 1jxs s ARG 96 CO 0.00 -1.29 0.06 -0.35 -0.81 0.00 0.00 175.30 172.91 1jxs n PRO 97 N 3.50 0.00 0.00 5.12 -0.04 -1.26 -5.33 135.00 136.98 1jxs n PRO 97 Ca 0.20 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 64.03 1jxs n PRO 97 Cb 0.42 -0.82 0.56 0.00 -0.04 0.00 0.00 33.50 33.63 1jxs n PRO 97 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33