#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 -2.32 -3.92 -2.24 3.41 -1.26 -5.08 113.62 102.21 1jxs n SER 2 Ca 0.00 -3.29 -0.34 0.00 -0.26 0.00 0.00 58.87 54.98 1jxs n SER 2 Cb 0.00 1.47 -0.14 0.00 -0.26 0.00 0.00 64.21 65.28 1jxs n SER 2 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jxs n LYS 3 N 1.36 0.00 -2.65 4.33 3.00 -1.26 -4.81 118.16 118.14 1jxs n LYS 3 Ca 0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.99 1jxs n LYS 3 Cb 0.63 -1.26 -0.02 0.00 0.00 0.00 0.00 35.03 34.38 1jxs n LYS 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1jxs s PRO 4 N 7.64 4.20 0.46 1.64 0.04 -1.26 -5.03 135.00 142.70 1jxs s PRO 4 Ca 1.18 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 63.30 1jxs s PRO 4 Cb -1.06 -3.67 -0.10 0.00 0.04 0.00 0.00 34.50 29.72 1jxs s PRO 4 CO 0.44 -0.71 1.00 -1.25 0.04 0.00 0.00 177.00 176.51 1jxs s PRO 5 N 3.34 4.00 0.05 0.56 0.04 -1.26 -5.08 135.00 136.65 1jxs s PRO 5 Ca 0.45 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1jxs s PRO 5 Cb -0.14 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1jxs s PRO 5 CO 0.09 -0.25 0.00 0.98 0.04 0.00 0.00 177.00 177.86 1jxs n TYR 6 N -0.84 0.12 -2.73 0.56 9.36 -1.26 -4.95 117.16 117.41 1jxs n TYR 6 Ca 0.08 -0.27 -0.34 0.00 3.32 0.00 0.00 57.90 60.70 1jxs n TYR 6 Cb 0.53 -0.04 -0.06 0.00 -0.63 0.00 0.00 39.34 39.15 1jxs n TYR 6 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1jxs s SER 7 N -1.30 6.82 0.00 2.98 0.01 -1.26 -4.89 113.70 116.06 1jxs s SER 7 Ca 0.00 1.78 0.14 0.00 1.31 0.00 0.00 55.95 59.18 1jxs s SER 7 Cb 0.00 -2.55 0.78 0.00 0.21 0.00 0.00 66.02 64.46 1jxs s SER 7 CO 0.00 -0.44 1.32 -1.22 0.41 0.00 0.00 173.24 173.31 1jxs n TYR 8 N -0.58 0.00 0.38 2.43 4.01 -1.26 -1.57 117.16 120.57 1jxs n TYR 8 Ca 0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.92 1jxs n TYR 8 Cb 0.53 -0.14 -0.01 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.14 3.11 -0.12 -0.72 0.00 -1.26 -4.30 120.51 116.07 1jxs n ALA 9 Ca 0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 1jxs n ALA 9 Cb 0.08 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1jxs n ALA 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jxs n GLN 10 N -2.17 0.64 0.26 0.00 1.13 -0.61 -4.05 117.38 112.59 1jxs n GLN 10 Ca 0.01 0.13 0.08 0.00 -1.94 0.00 0.00 57.00 55.28 1jxs n GLN 10 Cb 0.48 -1.49 0.43 0.00 0.11 0.00 0.00 30.24 29.77 1jxs n GLN 10 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1jxs h LEU 11 N 0.00 0.00 0.03 1.08 3.38 -1.61 0.26 115.31 118.46 1jxs h LEU 11 Ca -0.55 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.07 1jxs h LEU 11 Cb 1.89 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 1jxs h LEU 11 CO -0.07 0.00 -1.95 -0.38 0.09 0.00 0.00 178.44 176.13 1jxs n ILE 12 N -2.43 1.58 0.00 1.22 5.41 -1.26 -4.16 119.36 119.72 1jxs n ILE 12 Ca -0.01 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1jxs n ILE 12 Cb 0.52 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 1jxs n ILE 12 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1jxs n VAL 13 N -4.00 0.00 -0.25 1.39 0.31 0.85 -0.73 118.33 115.90 1jxs n VAL 13 Ca -0.40 1.48 0.30 0.00 -0.01 0.00 0.00 64.34 65.71 1jxs n VAL 13 Cb 0.86 -2.23 0.46 0.00 -0.91 0.00 0.00 33.84 32.03 1jxs n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jxs n GLN 14 N -2.44 0.01 -0.07 5.55 0.00 -0.77 -0.40 117.38 119.27 1jxs n GLN 14 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 57.00 57.92 1jxs n GLN 14 Cb 0.00 -2.52 -0.09 0.00 0.00 0.00 0.00 30.24 27.64 1jxs n GLN 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jxs h ALA 15 N 0.55 0.02 0.38 2.61 0.00 -1.09 -2.68 119.26 119.05 1jxs h ALA 15 Ca 0.53 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jxs h ALA 15 Cb 2.99 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.84 1jxs h ALA 15 CO -0.01 0.06 -0.18 0.82 0.00 0.00 0.00 179.25 179.94 1jxs h ILE 16 N -1.00 0.61 0.39 0.00 1.08 0.14 0.52 117.51 119.25 1jxs h ILE 16 Ca -0.02 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1jxs h ILE 16 Cb 0.70 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 1jxs h ILE 16 CO -0.01 0.07 -0.42 0.71 -0.69 0.00 0.00 178.15 177.81 1jxs h THR 17 N -0.73 0.16 -0.30 -0.27 1.35 -1.41 -0.75 112.91 110.96 1jxs h THR 17 Ca -0.05 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.89 1jxs h THR 17 Cb 0.51 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 1jxs h THR 17 CO 0.09 0.00 0.25 -0.03 -0.25 0.00 0.00 175.52 175.58 1jxs h MET 18 N -0.84 0.00 -6.84 4.72 1.85 -1.51 -3.41 114.93 108.91 1jxs h MET 18 Ca -0.03 0.00 -0.52 0.00 -0.61 0.00 0.00 59.70 58.54 1jxs h MET 18 Cb 0.75 0.00 0.05 0.00 0.43 0.00 0.00 31.60 32.84 1jxs h MET 18 CO -0.08 0.00 0.62 0.00 -0.40 0.00 0.00 176.91 177.05 1jxs s ALA 19 N -4.86 3.50 -0.33 0.39 0.00 0.17 -4.90 121.76 115.72 1jxs s ALA 19 Ca -0.05 1.19 0.24 0.00 0.00 0.00 0.00 51.96 53.34 1jxs s ALA 19 Cb 0.17 -3.46 0.45 0.00 0.00 0.00 0.00 23.12 20.28 1jxs s ALA 19 CO 0.64 -0.56 1.64 -1.00 0.00 0.00 0.00 175.76 176.48 1jxs h PRO 20 N 3.77 0.00 -0.02 0.00 0.13 -1.81 -3.08 132.00 130.99 1jxs h PRO 20 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jxs h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jxs h PRO 20 CO 0.68 0.06 0.00 -3.47 -0.23 0.00 0.00 178.00 175.03 1jxs n ASP 21 N -3.12 1.42 -1.57 1.44 -0.08 -1.26 -4.88 116.55 108.50 1jxs n ASP 21 Ca 0.03 -1.49 -0.13 0.00 -1.51 0.00 0.00 54.79 51.69 1jxs n ASP 21 Cb 0.52 -0.01 -0.05 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 0.12 -1.45 -3.81 -0.67 3.00 -1.17 -4.89 118.16 109.29 1jxs n LYS 22 Ca 0.19 0.75 -0.14 0.00 -0.00 0.00 0.00 58.31 59.12 1jxs n LYS 22 Cb 0.34 -5.07 -0.15 0.00 0.00 0.00 0.00 35.03 30.15 1jxs n LYS 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1jxs s GLN 23 N -3.47 -0.01 -0.05 1.64 -0.21 -1.26 -3.04 119.66 113.26 1jxs s GLN 23 Ca 0.00 0.12 -0.15 0.00 0.02 0.00 0.00 55.36 55.35 1jxs s GLN 23 Cb 0.00 -0.14 0.03 0.00 1.00 0.00 0.00 33.01 33.90 1jxs s GLN 23 CO 0.00 -0.10 0.34 -1.17 -2.12 0.00 0.00 175.29 172.24 1jxs s LEU 24 N 0.64 0.71 0.82 2.90 1.98 -1.16 -4.94 118.68 119.64 1jxs s LEU 24 Ca -0.05 0.30 -0.12 0.00 -2.89 0.00 0.00 54.13 51.37 1jxs s LEU 24 Cb -0.08 1.32 0.09 0.00 0.66 0.00 0.00 46.19 48.18 1jxs s LEU 24 CO -0.02 -0.36 1.17 -0.89 -1.89 0.00 0.00 176.35 174.36 1jxs s THR 25 N -0.88 2.03 -0.55 3.68 2.01 -1.26 -2.38 115.64 118.29 1jxs s THR 25 Ca -0.09 0.01 0.23 0.00 0.31 0.00 0.00 61.69 62.14 1jxs s THR 25 Cb -0.04 -2.97 0.24 0.00 0.01 0.00 0.00 72.50 69.74 1jxs s THR 25 CO 0.03 -0.01 1.69 0.00 -0.69 0.00 0.00 174.62 175.64 1jxs n LEU 26 N -3.39 0.60 0.10 4.42 -0.00 -1.26 -1.26 117.00 116.21 1jxs n LEU 26 Ca 0.08 0.64 0.12 0.00 -0.00 0.00 0.00 56.01 56.85 1jxs n LEU 26 Cb 0.61 -0.56 0.15 0.00 -0.00 0.00 0.00 43.42 43.62 1jxs n LEU 26 CO 0.57 -0.51 0.39 0.78 -0.00 0.00 0.00 177.39 178.62 1jxs h ASN 27 N 0.00 0.00 -1.00 1.45 4.21 -1.99 -3.30 115.58 114.95 1jxs h ASN 27 Ca 0.00 -0.09 0.21 0.00 1.21 0.00 0.00 56.30 57.63 1jxs h ASN 27 Cb 0.37 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.46 1jxs h ASN 27 CO 0.00 0.05 0.62 1.23 -1.29 0.00 0.00 177.43 178.03 1jxs h GLY 28 N 4.29 1.66 0.68 2.83 0.00 -1.52 0.51 103.07 111.51 1jxs h GLY 28 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.07 1jxs h GLY 28 CO 0.00 -0.10 0.36 -2.22 0.00 0.00 0.00 176.54 174.58 1jxs h ILE 29 N 0.65 0.96 0.17 2.60 5.03 -1.73 0.11 117.51 125.31 1jxs h ILE 29 Ca 0.58 -0.23 -0.01 0.00 -0.12 0.00 0.00 64.86 65.09 1jxs h ILE 29 Cb 1.06 0.24 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 1jxs h ILE 29 CO -0.37 0.12 -0.08 1.88 -0.68 0.00 0.00 178.15 179.02 1jxs h TYR 30 N 0.66 -0.21 0.00 1.37 0.05 -0.23 -1.11 116.97 117.51 1jxs h TYR 30 Ca 0.29 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.07 1jxs h TYR 30 Cb 0.18 0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1jxs h TYR 30 CO -0.08 -0.04 0.00 2.41 -1.05 0.00 0.00 178.16 179.40 1jxs n THR 31 N -5.14 0.00 -0.08 -2.88 -1.04 -0.73 -2.18 114.28 102.23 1jxs n THR 31 Ca -0.09 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.84 1jxs n THR 31 Cb 0.15 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 68.08 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 -0.89 0.00 -0.34 -1.42 -0.00 0.36 -3.59 115.22 109.34 1jxs n HIS 32 Ca 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.86 1jxs n HIS 32 Cb 0.06 -0.47 0.15 0.00 -0.00 0.00 0.00 29.99 29.73 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 -0.95 1.07 -0.12 3.57 -0.00 -1.28 -0.95 117.51 118.85 1jxs h ILE 33 Ca 0.00 -0.36 -0.12 0.00 -0.00 0.00 0.00 64.86 64.38 1jxs h ILE 33 Cb 0.95 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.82 37.66 1jxs h ILE 33 CO 0.00 0.19 -0.45 0.71 -0.00 0.00 0.00 178.15 178.61 1jxs h THR 34 N 1.06 1.32 -0.83 2.19 1.35 -1.66 0.53 112.91 116.88 1jxs h THR 34 Ca 0.40 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1jxs h THR 34 Cb 0.16 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 1jxs h THR 34 CO -0.17 0.49 0.53 0.50 -0.25 0.00 0.00 175.52 176.62 1jxs h LYS 35 N 0.23 1.11 0.00 4.72 1.63 -1.24 -3.37 116.57 119.64 1jxs h LYS 35 Ca 0.02 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1jxs h LYS 35 Cb 0.88 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1jxs h LYS 35 CO 0.07 0.75 -0.01 0.09 -3.45 0.00 0.00 179.45 176.90 1jxs n ASN 36 N -4.39 0.03 -4.31 4.20 3.02 -0.96 -5.00 115.26 107.84 1jxs n ASN 36 Ca 0.09 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 1jxs n ASN 36 Cb 0.04 -0.49 0.15 0.00 -0.61 0.00 0.00 39.78 38.87 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 -2.53 -1.53 0.00 3.10 4.01 0.18 -4.99 117.16 115.41 1jxs n TYR 37 Ca -0.00 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1jxs n TYR 37 Cb 0.01 -1.63 0.00 0.00 -0.31 0.00 0.00 39.34 37.40 1jxs n TYR 37 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1jxs n PRO 38 N -1.70 0.00 -3.26 -0.72 -0.04 -1.26 -4.56 135.00 123.45 1jxs n PRO 38 Ca 0.03 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.30 1jxs n PRO 38 Cb 0.59 -0.11 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 1jxs n PRO 38 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1jxs s TYR 39 N 0.00 2.82 0.00 0.54 -0.85 -1.26 -4.85 117.35 113.75 1jxs s TYR 39 Ca 0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1jxs s TYR 39 Cb 0.00 -2.24 0.00 0.00 0.38 0.00 0.00 41.96 40.10 1jxs s TYR 39 CO 0.00 -0.25 0.00 0.98 -1.52 0.00 0.00 175.55 174.76 1jxs n TYR 40 N -1.71 0.00 -1.72 -3.49 9.36 -1.26 -4.95 117.16 113.39 1jxs n TYR 40 Ca 0.05 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.88 1jxs n TYR 40 Cb 0.60 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.29 1jxs n TYR 40 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1jxs n ARG 41 N 0.00 4.18 0.11 2.98 0.63 -1.26 -3.55 116.66 119.76 1jxs n ARG 41 Ca 0.00 -2.93 0.00 0.00 -0.92 0.00 0.00 57.85 54.00 1jxs n ARG 41 Cb 0.00 -2.72 0.00 0.00 0.45 0.00 0.00 32.46 30.19 1jxs n ARG 41 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1jxs n THR 42 N 2.59 0.00 -1.38 5.15 -1.04 -1.26 -4.94 114.28 113.39 1jxs n THR 42 Ca 0.68 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.77 1jxs n THR 42 Cb 0.25 -0.18 0.17 0.00 -1.82 0.00 0.00 70.33 68.75 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jxs n ALA 43 N -3.11 2.99 -3.73 2.41 0.00 -1.26 -4.92 120.51 112.91 1jxs n ALA 43 Ca 0.00 -2.96 -0.30 0.00 0.00 0.00 0.00 53.44 50.18 1jxs n ALA 43 Cb 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.03 3.96 -0.38 0.00 1.01 -1.23 -4.97 116.67 112.03 1jxs s ASP 44 Ca 0.35 -1.78 0.05 0.00 0.71 0.00 0.00 52.55 51.87 1jxs s ASP 44 Cb 0.33 -0.88 0.62 0.00 1.01 0.00 0.00 42.92 43.99 1jxs s ASP 44 CO -0.03 -0.39 1.81 1.17 0.21 0.00 0.00 175.17 177.94 1jxs n LYS 45 N 4.66 2.39 -0.04 8.23 4.81 -1.26 -4.32 118.16 132.63 1jxs n LYS 45 Ca -0.00 -2.73 -0.03 0.00 -0.87 0.00 0.00 58.31 54.68 1jxs n LYS 45 Cb 0.41 -2.08 -0.01 0.00 0.02 0.00 0.00 35.03 33.37 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 -0.82 -0.70 0.28 3.14 0.00 -1.26 -4.36 105.19 101.47 1jxs n GLY 46 Ca 0.51 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.59 1jxs n GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1jxs h TRP 47 N -0.54 0.00 0.00 1.61 5.08 -1.97 -3.10 115.95 117.03 1jxs h TRP 47 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1jxs h TRP 47 Cb 0.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.49 1jxs h TRP 47 CO -0.14 0.01 0.00 1.04 -1.28 0.00 0.00 178.44 178.07 1jxs n GLN 48 N -3.11 0.00 0.14 0.12 1.13 -1.26 -1.48 117.38 112.92 1jxs n GLN 48 Ca 0.00 0.43 0.11 0.00 -1.94 0.00 0.00 57.00 55.60 1jxs n GLN 48 Cb 0.30 -1.15 0.53 0.00 0.11 0.00 0.00 30.24 30.02 1jxs n GLN 48 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1jxs n ASN 49 N -1.31 0.59 -0.24 1.08 4.13 -1.25 -2.33 115.26 115.93 1jxs n ASN 49 Ca 0.00 0.71 -0.01 0.00 1.68 0.00 0.00 54.58 56.96 1jxs n ASN 49 Cb 0.00 -0.81 0.21 0.00 -1.54 0.00 0.00 39.78 37.63 1jxs n ASN 49 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1jxs h SER 50 N 0.00 0.92 0.00 6.41 0.87 -1.18 -2.10 113.55 118.47 1jxs h SER 50 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1jxs h SER 50 Cb 0.17 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1jxs h SER 50 CO 0.00 0.70 0.00 -0.38 -0.53 0.00 0.00 176.83 176.62 1jxs n ILE 51 N -4.39 0.00 -0.61 2.23 2.08 -0.97 -1.49 119.36 116.21 1jxs n ILE 51 Ca 0.08 1.33 0.49 0.00 0.56 0.00 0.00 62.75 65.21 1jxs n ILE 51 Cb 0.06 -2.32 0.81 0.00 -0.75 0.00 0.00 39.64 37.43 1jxs n ILE 51 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1jxs h ARG 52 N 0.00 0.00 -0.20 0.38 2.43 -1.72 0.75 114.38 116.02 1jxs h ARG 52 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1jxs h ARG 52 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1jxs h ARG 52 CO 0.00 0.00 -0.11 1.25 -1.51 0.00 0.00 179.97 179.60 1jxs h HIS 53 N 0.00 0.50 -0.07 2.20 2.76 -0.94 -2.56 115.15 117.04 1jxs h HIS 53 Ca 0.84 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.89 1jxs h HIS 53 Cb 3.41 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 32.25 1jxs h HIS 53 CO 0.00 0.73 0.00 0.09 -1.30 0.00 0.00 177.93 177.45 1jxs n ASN 54 N -4.54 0.44 0.04 3.26 4.13 0.25 -3.10 115.26 115.73 1jxs n ASN 54 Ca -0.05 -2.01 0.11 0.00 1.68 0.00 0.00 54.58 54.32 1jxs n ASN 54 Cb 0.33 -0.08 0.06 0.00 -1.54 0.00 0.00 39.78 38.56 1jxs n ASN 54 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1jxs n LEU 55 N -0.28 0.63 -0.04 3.41 7.99 -0.70 -3.71 117.00 124.31 1jxs n LEU 55 Ca 0.02 0.06 -0.04 0.00 -0.01 0.00 0.00 56.01 56.04 1jxs n LEU 55 Cb 0.08 -0.12 -0.01 0.00 -0.11 0.00 0.00 43.42 43.25 1jxs n LEU 55 CO 0.02 0.01 -0.31 -1.20 -1.51 0.00 0.00 177.39 174.40 1jxs n SER 56 N -2.02 0.90 -0.23 -1.43 7.64 -1.18 -4.59 113.62 112.71 1jxs n SER 56 Ca 0.02 0.15 -0.05 0.00 1.01 0.00 0.00 58.87 60.00 1jxs n SER 56 Cb 0.44 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1jxs n SER 56 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1jxs h LEU 57 N -0.46 -1.27 -8.08 -3.43 8.10 -1.80 -2.87 115.31 105.50 1jxs h LEU 57 Ca 0.00 0.24 -0.54 0.00 0.11 0.00 0.00 57.88 57.69 1jxs h LEU 57 Cb 0.46 0.62 -0.08 0.00 -0.44 0.00 0.00 40.66 41.22 1jxs h LEU 57 CO 0.00 -0.31 1.45 0.20 -4.11 0.00 0.00 178.44 175.67 1jxs s ASN 58 N -5.19 6.22 0.00 0.17 0.01 -1.24 -4.77 114.94 110.13 1jxs s ASN 58 Ca -0.14 -1.48 0.12 0.00 -0.71 0.00 0.00 52.86 50.64 1jxs s ASN 58 Cb 0.16 -2.57 0.68 0.00 0.41 0.00 0.00 41.25 39.92 1jxs s ASN 58 CO 0.69 -1.78 1.14 0.54 -1.51 0.00 0.00 177.10 176.18 1jxs n ARG 59 N 8.77 0.34 -0.38 -0.60 3.00 -1.09 -3.33 116.66 123.37 1jxs n ARG 59 Ca 0.38 0.02 0.33 0.00 -0.01 0.00 0.00 57.85 58.57 1jxs n ARG 59 Cb 0.49 -1.50 0.60 0.00 0.00 0.00 0.00 32.46 32.05 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 0.71 -3.00 -1.55 0.05 -1.88 -3.06 116.97 108.23 1jxs h TYR 60 Ca 0.00 0.03 -0.72 0.00 0.05 0.00 0.00 58.73 58.09 1jxs h TYR 60 Cb 0.01 -0.17 -0.21 0.00 1.01 0.00 0.00 36.73 37.37 1jxs h TYR 60 CO 0.00 -0.31 0.13 -0.06 -1.05 0.00 0.00 178.16 176.86 1jxs s PHE 61 N -5.44 3.14 -1.07 4.88 0.08 -1.21 -3.09 117.98 115.27 1jxs s PHE 61 Ca -0.09 -1.18 -0.22 0.00 0.12 0.00 0.00 56.93 55.57 1jxs s PHE 61 Cb 0.32 -3.98 0.03 0.00 -0.57 0.00 0.00 43.02 38.81 1jxs s PHE 61 CO 0.80 -1.24 1.62 0.96 -0.10 0.00 0.00 175.22 177.27 1jxs s ILE 62 N 2.21 3.86 0.61 0.64 -4.36 0.21 -4.50 121.20 119.88 1jxs s ILE 62 Ca 0.13 -0.95 -0.10 0.00 -0.26 0.00 0.00 60.65 59.46 1jxs s ILE 62 Cb -0.22 -4.89 -0.04 0.00 1.25 0.00 0.00 42.46 38.57 1jxs s ILE 62 CO 0.02 -1.74 1.00 -1.59 0.24 0.00 0.00 174.94 172.87 1jxs s LYS 63 N 5.24 3.54 -0.12 0.37 -2.85 -1.25 -3.43 119.74 121.24 1jxs s LYS 63 Ca 0.53 0.65 0.03 0.00 -1.00 0.00 0.00 55.97 56.17 1jxs s LYS 63 Cb -0.00 -2.12 0.01 0.00 -2.06 0.00 0.00 37.83 33.66 1jxs s LYS 63 CO -0.03 -0.55 -0.21 0.14 0.10 0.00 0.00 175.35 174.80 1jxs s VAL 64 N -3.13 1.94 -0.77 1.79 -7.23 -1.11 -4.95 120.40 106.95 1jxs s VAL 64 Ca 0.54 -0.92 -0.26 0.00 -1.81 0.00 0.00 61.98 59.53 1jxs s VAL 64 Cb -0.11 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.14 1jxs s VAL 64 CO 0.52 0.53 1.45 -2.16 -0.31 0.00 0.00 175.10 175.13 1jxs s PRO 65 N 0.73 3.12 0.00 4.82 0.04 -1.26 -4.05 135.00 138.40 1jxs s PRO 65 Ca -0.10 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.72 1jxs s PRO 65 Cb -0.16 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1jxs s PRO 65 CO 0.01 -2.33 0.70 -2.13 0.04 0.00 0.00 177.00 173.29 1jxs n ARG 66 N 9.24 0.54 0.00 4.56 0.63 -1.26 -5.00 116.66 125.37 1jxs n ARG 66 Ca 0.13 -0.89 0.00 0.00 -0.92 0.00 0.00 57.85 56.16 1jxs n ARG 66 Cb 0.50 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.40 1jxs n ARG 66 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1jxs n SER 67 N -0.18 -0.63 -4.38 6.15 7.64 -1.26 -4.84 113.62 116.12 1jxs n SER 67 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.44 1jxs n SER 67 Cb 0.10 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1jxs n SER 67 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1jxs s GLN 68 N -0.94 3.05 -1.50 1.43 0.74 -1.26 -4.50 119.66 116.68 1jxs s GLN 68 Ca 0.00 -1.29 -0.19 0.00 0.05 0.00 0.00 55.36 53.93 1jxs s GLN 68 Cb 0.00 -4.24 0.19 0.00 1.10 0.00 0.00 33.01 30.06 1jxs s GLN 68 CO 0.00 -1.47 0.48 -1.91 -0.55 0.00 0.00 175.29 171.84 1jxs n GLU 69 N 6.20 -1.20 -3.46 1.67 2.13 -1.26 -4.85 120.64 119.88 1jxs n GLU 69 Ca -0.10 0.11 -0.25 0.00 0.66 0.00 0.00 57.16 57.59 1jxs n GLU 69 Cb 0.43 -4.68 -0.12 0.00 0.27 0.00 0.00 31.44 27.34 1jxs n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1jxs s GLU 70 N -6.79 0.43 0.03 5.31 0.41 -1.26 -4.99 118.70 111.85 1jxs s GLU 70 Ca 0.67 -0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 54.20 1jxs s GLU 70 Cb -0.39 -1.07 -0.29 0.00 -1.78 0.00 0.00 34.13 30.60 1jxs s GLU 70 CO 0.82 -1.13 1.07 -1.00 -0.49 0.00 0.00 175.26 174.53 1jxs h PRO 71 N 7.58 0.55 -0.69 0.39 0.13 -1.94 -3.24 132.00 134.77 1jxs h PRO 71 Ca -0.04 -0.74 0.20 0.00 -0.87 0.00 0.00 66.00 64.55 1jxs h PRO 71 Cb 1.01 0.25 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1jxs h PRO 71 CO 0.31 1.33 0.61 0.78 -0.23 0.00 0.00 178.00 180.79 1jxs h GLY 72 N 0.13 0.00 0.00 1.56 0.00 -2.01 -3.22 103.07 99.54 1jxs h GLY 72 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1jxs h GLY 72 CO 0.21 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.03 1jxs n LYS 73 N -3.92 0.00 0.00 4.80 4.76 -1.22 -5.09 118.16 117.50 1jxs n LYS 73 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1jxs n LYS 73 Cb 0.86 -0.27 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1jxs n LYS 73 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jxs n GLY 74 N 1.31 2.96 0.00 0.72 0.00 -1.22 -5.06 105.19 103.90 1jxs n GLY 74 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1jxs n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jxs n SER 75 N 0.00 0.00 -3.65 1.61 7.64 -1.26 -4.62 113.62 113.34 1jxs n SER 75 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1jxs n SER 75 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1jxs n SER 75 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1jxs s PHE 76 N -1.00 -0.00 -0.39 1.43 2.19 -1.26 -4.92 117.98 114.03 1jxs s PHE 76 Ca 0.00 0.00 -0.12 0.00 0.33 0.00 0.00 56.93 57.15 1jxs s PHE 76 Cb 0.00 0.07 0.03 0.00 -1.31 0.00 0.00 43.02 41.81 1jxs s PHE 76 CO 0.00 -0.00 0.23 -1.58 1.83 0.00 0.00 175.22 175.70 1jxs s TRP 77 N 0.85 3.25 0.21 10.12 0.52 -1.00 -2.73 118.94 130.16 1jxs s TRP 77 Ca -0.06 -0.92 0.06 0.00 0.02 0.00 0.00 56.10 55.20 1jxs s TRP 77 Cb -0.02 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.77 1jxs s TRP 77 CO -0.10 -0.65 0.21 -0.98 0.02 0.00 0.00 176.95 175.45 1jxs s ARG 78 N 1.57 3.04 -0.06 4.98 1.70 -1.22 -3.00 118.95 125.96 1jxs s ARG 78 Ca 0.02 -0.91 -0.21 0.00 -0.47 0.00 0.00 55.73 54.16 1jxs s ARG 78 Cb -0.19 -2.68 -0.04 0.00 -0.57 0.00 0.00 34.95 31.47 1jxs s ARG 78 CO 0.07 0.44 0.60 -1.50 -1.08 0.00 0.00 175.30 173.84 1jxs s ILE 79 N -1.96 5.04 0.72 4.99 1.10 -1.17 0.66 121.20 130.59 1jxs s ILE 79 Ca 0.33 1.24 -0.11 0.00 -0.51 0.00 0.00 60.65 61.59 1jxs s ILE 79 Cb -0.09 -3.94 0.03 0.00 0.15 0.00 0.00 42.46 38.60 1jxs s ILE 79 CO 0.25 0.33 1.10 -0.62 -2.11 0.00 0.00 174.94 173.89 1jxs s ASP 80 N 0.43 5.27 0.00 4.50 2.15 -1.18 -4.89 116.67 122.95 1jxs s ASP 80 Ca 0.32 1.15 0.17 0.00 0.43 0.00 0.00 52.55 54.62 1jxs s ASP 80 Cb -0.17 -1.92 1.04 0.00 -0.30 0.00 0.00 42.92 41.56 1jxs s ASP 80 CO 0.16 -1.46 1.59 -0.81 -0.17 0.00 0.00 175.17 174.47 1jxs n PRO 81 N -3.09 0.89 -0.26 4.34 -0.04 -1.26 -2.87 135.00 132.71 1jxs n PRO 81 Ca 0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1jxs n PRO 81 Cb 0.57 -1.31 0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.81 1.84 0.02 0.55 0.00 -1.26 -4.91 120.51 115.95 1jxs n ALA 82 Ca 0.13 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1jxs n ALA 82 Cb 0.06 -0.32 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 -0.35 0.31 0.00 0.00 7.64 -1.14 -4.93 113.62 115.15 1jxs n SER 83 Ca 0.03 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1jxs n SER 83 Cb 0.60 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.85 0.00 -0.19 1.43 2.13 -1.21 -0.37 120.64 119.57 1jxs n GLU 84 Ca 0.00 0.01 0.15 0.00 0.66 0.00 0.00 57.16 57.98 1jxs n GLU 84 Cb 0.00 -0.02 0.24 0.00 0.27 0.00 0.00 31.44 31.93 1jxs n GLU 84 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1jxs n SER 85 N -0.51 0.02 -0.08 4.31 3.41 -1.26 0.11 113.62 119.61 1jxs n SER 85 Ca 0.00 0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1jxs n SER 85 Cb 0.00 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 63.66 1jxs n SER 85 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jxs h LYS 86 N 0.00 0.01 0.00 4.33 6.56 -1.07 -3.21 116.57 123.19 1jxs h LYS 86 Ca 0.28 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.84 1jxs h LYS 86 Cb 1.06 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1jxs h LYS 86 CO -0.05 1.01 -0.09 1.37 -2.06 0.00 0.00 179.45 179.62 1jxs h LEU 87 N -0.98 0.00 -0.50 2.94 -0.00 0.69 0.27 115.31 117.73 1jxs h LEU 87 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.67 1jxs h LEU 87 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 1jxs h LEU 87 CO -0.08 0.09 -0.33 0.16 -0.00 0.00 0.00 178.44 178.29 1jxs h ILE 88 N 0.00 0.65 0.00 0.15 -2.65 -1.42 0.25 117.51 114.49 1jxs h ILE 88 Ca -0.00 -1.61 0.00 0.00 1.03 0.00 0.00 64.86 64.28 1jxs h ILE 88 Cb 0.28 2.09 0.00 0.00 -2.05 0.00 0.00 36.82 37.13 1jxs h ILE 88 CO 0.01 0.32 -0.99 1.21 0.03 0.00 0.00 178.15 178.74 1jxs n GLU 89 N -3.29 0.44 0.01 0.16 2.13 0.10 -2.39 120.64 117.79 1jxs n GLU 89 Ca 0.01 0.05 0.11 0.00 0.66 0.00 0.00 57.16 58.00 1jxs n GLU 89 Cb 0.58 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 30.50 1jxs n GLU 89 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1jxs n GLN 90 N -2.29 0.41 -0.12 5.31 7.27 0.73 -4.15 117.38 124.55 1jxs n GLN 90 Ca 0.01 -0.07 -0.24 0.00 0.07 0.00 0.00 57.00 56.77 1jxs n GLN 90 Cb 0.49 -1.57 -0.11 0.00 2.41 0.00 0.00 30.24 31.46 1jxs n GLN 90 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jxs n ALA 91 N -1.97 1.23 0.32 1.69 0.00 0.84 -4.11 120.51 118.51 1jxs n ALA 91 Ca -0.00 -1.01 0.17 0.00 0.00 0.00 0.00 53.44 52.59 1jxs n ALA 91 Cb 0.48 -0.09 0.87 0.00 0.00 0.00 0.00 19.45 20.71 1jxs n ALA 91 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1jxs h PHE 92 N -0.49 0.00 -0.03 0.00 0.04 -1.67 -3.39 116.94 111.40 1jxs h PHE 92 Ca -0.60 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.17 1jxs h PHE 92 Cb 1.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.90 1jxs h PHE 92 CO -0.01 0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 175.57 1jxs n ARG 93 N -2.99 2.14 -4.41 1.51 0.63 -1.26 -5.08 116.66 107.19 1jxs n ARG 93 Ca -0.01 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.69 1jxs n ARG 93 Cb 0.35 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.18 1jxs n ARG 93 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1jxs s LYS 94 N 0.00 1.84 1.08 -0.14 1.02 -1.26 -5.09 119.74 117.18 1jxs s LYS 94 Ca 0.00 -2.10 -0.15 0.00 0.02 0.00 0.00 55.97 53.75 1jxs s LYS 94 Cb 0.00 -0.22 0.16 0.00 -0.52 0.00 0.00 37.83 37.25 1jxs s LYS 94 CO 0.00 -0.54 0.55 -2.13 -0.92 0.00 0.00 175.35 172.31 1jxs n ARG 95 N -0.78 -1.48 0.15 1.68 0.63 -1.26 -4.90 116.66 110.70 1jxs n ARG 95 Ca -0.01 -0.40 -0.14 0.00 -0.92 0.00 0.00 57.85 56.39 1jxs n ARG 95 Cb 0.64 -1.97 -0.08 0.00 0.45 0.00 0.00 32.46 31.50 1jxs n ARG 95 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jxs h ARG 96 N -2.15 -0.34 0.00 -0.14 3.08 -2.00 -3.44 114.38 109.39 1jxs h ARG 96 Ca -0.53 0.02 -0.28 0.00 0.07 0.00 0.00 59.98 59.27 1jxs h ARG 96 Cb 1.32 0.08 0.12 0.00 0.08 0.00 0.00 29.97 31.57 1jxs h ARG 96 CO 0.41 -0.09 0.25 -0.35 -1.07 0.00 0.00 179.97 179.13 1jxs n PRO 97 N -5.15 -1.04 0.00 0.04 -0.04 -1.26 -5.27 135.00 122.27 1jxs n PRO 97 Ca -0.10 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1jxs n PRO 97 Cb 0.22 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1jxs n PRO 97 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33