#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 -0.00 -0.59 -1.12 0.01 -1.26 -5.08 113.70 105.66 1jxs s SER 2 Ca 0.00 -0.00 0.06 0.00 1.31 0.00 0.00 55.95 57.32 1jxs s SER 2 Cb 0.00 0.00 0.26 0.00 0.21 0.00 0.00 66.02 66.49 1jxs s SER 2 CO 0.00 -0.00 0.72 1.17 0.41 0.00 0.00 173.24 175.54 1jxs n LYS 3 N -0.28 2.26 -2.55 12.44 0.00 -1.26 -4.32 118.16 124.44 1jxs n LYS 3 Ca -0.03 -4.43 -0.43 0.00 0.00 0.00 0.00 58.31 53.42 1jxs n LYS 3 Cb 0.60 -2.08 -0.02 0.00 0.00 0.00 0.00 35.03 33.54 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 -2.32 3.69 0.84 1.64 0.04 -1.26 -5.01 135.00 132.61 1jxs s PRO 4 Ca 0.40 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1jxs s PRO 4 Cb 0.16 -3.94 0.13 0.00 0.04 0.00 0.00 34.50 30.89 1jxs s PRO 4 CO -0.03 -1.43 1.18 -1.25 0.04 0.00 0.00 177.00 175.50 1jxs s PRO 5 N 4.57 1.48 0.09 0.56 0.04 -1.26 -4.92 135.00 135.56 1jxs s PRO 5 Ca 0.50 -0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.26 1jxs s PRO 5 Cb -0.08 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1jxs s PRO 5 CO 0.32 -1.81 0.04 0.98 0.04 0.00 0.00 177.00 176.57 1jxs n TYR 6 N -3.35 -0.01 -2.49 0.56 4.19 -1.26 -5.13 117.16 109.67 1jxs n TYR 6 Ca 0.11 -0.62 -0.33 0.00 3.31 0.00 0.00 57.90 60.38 1jxs n TYR 6 Cb 0.60 0.01 -0.04 0.00 0.49 0.00 0.00 39.34 40.41 1jxs n TYR 6 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 1jxs s SER 7 N -1.57 6.57 0.63 2.98 0.01 -1.26 -4.89 113.70 116.16 1jxs s SER 7 Ca 0.06 1.68 0.39 0.00 1.31 0.00 0.00 55.95 59.39 1jxs s SER 7 Cb 0.00 -2.53 2.09 0.00 0.21 0.00 0.00 66.02 65.80 1jxs s SER 7 CO 0.04 -0.62 2.27 1.88 0.41 0.00 0.00 173.24 177.22 1jxs h TYR 8 N 1.21 0.00 0.17 2.43 0.05 -1.94 -1.68 116.97 117.21 1jxs h TYR 8 Ca -0.48 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.00 1jxs h TYR 8 Cb 1.19 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.95 1jxs h TYR 8 CO 0.62 0.01 -1.36 0.00 -1.05 0.00 0.00 178.16 176.38 1jxs h ALA 9 N 1.99 0.02 -0.12 3.88 0.00 -1.90 -3.28 119.26 119.85 1jxs h ALA 9 Ca -0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 54.91 53.83 1jxs h ALA 9 Cb 0.11 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jxs h ALA 9 CO 0.00 0.89 -0.66 1.96 0.00 0.00 0.00 179.25 181.44 1jxs h GLN 10 N 0.10 0.48 -0.55 0.00 4.20 -1.59 -3.05 115.11 114.69 1jxs h GLN 10 Ca -0.19 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.22 1jxs h GLN 10 Cb 2.05 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.84 1jxs h GLN 10 CO 0.23 0.98 0.28 -0.07 -0.67 0.00 0.00 178.83 179.57 1jxs h LEU 11 N 0.34 0.40 -1.57 1.46 3.38 -1.45 0.11 115.31 117.98 1jxs h LEU 11 Ca -0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1jxs h LEU 11 Cb 1.23 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1jxs h LEU 11 CO 0.12 0.27 -0.15 0.16 0.09 0.00 0.00 178.44 178.93 1jxs h ILE 12 N 0.54 0.47 0.00 1.22 3.07 -1.61 -1.55 117.51 119.65 1jxs h ILE 12 Ca 0.25 -0.76 0.00 0.00 1.55 0.00 0.00 64.86 65.89 1jxs h ILE 12 Cb 0.16 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1jxs h ILE 12 CO -0.17 0.14 0.00 0.52 -1.05 0.00 0.00 178.15 177.59 1jxs n VAL 13 N -3.44 0.00 0.32 0.16 0.31 0.30 -1.34 118.33 114.64 1jxs n VAL 13 Ca -0.01 0.69 0.10 0.00 -0.01 0.00 0.00 64.34 65.11 1jxs n VAL 13 Cb 0.32 -1.37 0.53 0.00 -0.91 0.00 0.00 33.84 32.41 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 0.00 0.07 5.55 3.07 -1.46 -0.62 115.11 121.72 1jxs h GLN 14 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 1jxs h GLN 14 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.57 1jxs h GLN 14 CO 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 178.83 178.53 1jxs h ALA 15 N 0.90 -0.04 0.00 0.06 0.00 -1.22 -2.48 119.26 116.48 1jxs h ALA 15 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1jxs h ALA 15 Cb 1.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1jxs h ALA 15 CO 0.00 0.18 -0.34 0.97 0.00 0.00 0.00 179.25 180.06 1jxs h ILE 16 N -0.68 0.80 0.00 0.00 2.10 0.16 -0.32 117.51 119.57 1jxs h ILE 16 Ca -0.07 -1.44 -0.13 0.00 1.08 0.00 0.00 64.86 64.30 1jxs h ILE 16 Cb 1.30 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 38.92 1jxs h ILE 16 CO 0.07 0.33 -0.64 0.71 -1.08 0.00 0.00 178.15 177.55 1jxs h THR 17 N 0.00 1.25 0.00 2.19 1.35 -1.41 -3.15 112.91 113.15 1jxs h THR 17 Ca -0.00 -2.35 -0.13 0.00 -0.55 0.00 0.00 66.41 63.38 1jxs h THR 17 Cb 0.88 2.34 -0.02 0.00 -1.73 0.00 0.00 68.15 69.62 1jxs h THR 17 CO 0.04 0.62 -1.18 0.24 -0.25 0.00 0.00 175.52 174.99 1jxs h MET 18 N 0.00 0.00 -6.92 4.72 2.86 -1.02 -3.46 114.93 111.10 1jxs h MET 18 Ca -0.01 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1jxs h MET 18 Cb 1.29 0.00 0.08 0.00 0.06 0.00 0.00 31.60 33.03 1jxs h MET 18 CO 0.08 0.29 0.64 0.00 1.06 0.00 0.00 176.91 178.98 1jxs s ALA 19 N -2.99 3.39 -1.30 6.32 0.00 -0.17 -4.88 121.76 122.14 1jxs s ALA 19 Ca -0.01 1.29 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 1jxs s ALA 19 Cb 0.09 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1jxs s ALA 19 CO 0.80 -0.78 2.02 -0.35 0.00 0.00 0.00 175.76 177.44 1jxs n PRO 20 N 0.43 2.69 0.00 0.00 -0.04 -1.26 -3.02 135.00 133.79 1jxs n PRO 20 Ca 0.02 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1jxs n PRO 20 Cb 0.42 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 1jxs n PRO 20 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jxs n ASP 21 N 7.63 0.00 -0.34 3.54 5.68 -1.26 -4.89 116.55 126.91 1jxs n ASP 21 Ca 0.50 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.75 1jxs n ASP 21 Cb 0.42 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.38 1jxs n ASP 21 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jxs n LYS 22 N 0.00 -0.30 -5.19 0.11 5.02 -1.17 -4.99 118.16 111.65 1jxs n LYS 22 Ca 0.00 0.62 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 1jxs n LYS 22 Cb 0.00 -4.30 -0.16 0.00 -0.02 0.00 0.00 35.03 30.55 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 -2.51 2.81 -0.05 1.97 -1.52 -1.26 -1.88 119.66 117.22 1jxs s GLN 23 Ca 0.00 -0.87 -0.03 0.00 -1.95 0.00 0.00 55.36 52.51 1jxs s GLN 23 Cb 0.00 -2.27 0.02 0.00 -0.22 0.00 0.00 33.01 30.54 1jxs s GLN 23 CO 0.00 0.30 0.11 -1.17 -0.25 0.00 0.00 175.29 174.28 1jxs s LEU 24 N 0.04 1.32 0.69 2.90 0.20 -1.07 -4.86 118.68 117.90 1jxs s LEU 24 Ca -0.09 0.22 -0.11 0.00 0.69 0.00 0.00 54.13 54.84 1jxs s LEU 24 Cb -0.15 0.33 0.00 0.00 -0.43 0.00 0.00 46.19 45.94 1jxs s LEU 24 CO 0.06 -0.07 1.08 0.42 -0.29 0.00 0.00 176.35 177.54 1jxs s THR 25 N 0.45 3.80 0.35 3.68 -4.23 -1.26 -0.81 115.64 117.62 1jxs s THR 25 Ca -0.03 0.59 0.07 0.00 -1.18 0.00 0.00 61.69 61.13 1jxs s THR 25 Cb -0.05 -3.55 0.14 0.00 1.34 0.00 0.00 72.50 70.38 1jxs s THR 25 CO -0.02 -0.77 1.86 0.17 -0.54 0.00 0.00 174.62 175.33 1jxs h LEU 26 N -0.60 0.34 -0.07 4.79 8.10 -1.87 0.07 115.31 126.07 1jxs h LEU 26 Ca -0.45 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.47 1jxs h LEU 26 Cb 1.24 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 41.37 1jxs h LEU 26 CO 0.63 0.50 -0.16 0.59 -4.11 0.00 0.00 178.44 175.88 1jxs n ASN 27 N -4.24 0.26 -0.18 0.17 3.02 -1.26 -3.83 115.26 109.21 1jxs n ASN 27 Ca -0.00 -0.04 -0.06 0.00 -0.03 0.00 0.00 54.58 54.45 1jxs n ASN 27 Cb 0.29 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1jxs n ASN 27 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1jxs h GLY 28 N 4.99 0.74 -0.09 7.41 0.00 -1.31 0.15 103.07 114.96 1jxs h GLY 28 Ca 0.00 -0.26 0.26 0.00 0.00 0.00 0.00 47.33 47.33 1jxs h GLY 28 CO 0.00 0.24 0.80 -2.22 0.00 0.00 0.00 176.54 175.36 1jxs h ILE 29 N 0.68 0.30 -0.07 2.60 5.03 -1.67 0.18 117.51 124.56 1jxs h ILE 29 Ca 0.20 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.98 1jxs h ILE 29 Cb -0.04 0.40 -0.04 0.00 -3.03 0.00 0.00 36.82 34.10 1jxs h ILE 29 CO -0.06 0.00 -0.18 1.88 -0.68 0.00 0.00 178.15 179.11 1jxs h TYR 30 N 0.00 -0.47 0.00 1.37 0.05 -1.21 0.21 116.97 116.92 1jxs h TYR 30 Ca 0.42 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.22 1jxs h TYR 30 Cb 2.01 0.22 0.00 0.00 1.01 0.00 0.00 36.73 39.97 1jxs h TYR 30 CO 0.00 -0.26 0.00 2.41 -1.05 0.00 0.00 178.16 179.26 1jxs n THR 31 N -5.32 0.03 -0.01 -2.88 -1.04 0.61 -3.02 114.28 102.66 1jxs n THR 31 Ca -0.04 0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 61.96 1jxs n THR 31 Cb 0.23 -0.71 -0.00 0.00 -1.82 0.00 0.00 70.33 68.03 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 -1.02 0.00 -0.52 -1.42 -0.00 -0.09 -3.96 115.22 108.22 1jxs n HIS 32 Ca 0.14 0.00 0.43 0.00 -0.00 0.00 0.00 57.72 58.29 1jxs n HIS 32 Cb 0.07 -0.08 0.74 0.00 -0.00 0.00 0.00 29.99 30.72 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 -0.16 0.16 -0.06 3.57 -0.00 -1.25 0.35 117.51 120.11 1jxs h ILE 33 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 64.86 64.79 1jxs h ILE 33 Cb 0.16 0.11 0.00 0.00 -0.00 0.00 0.00 36.82 37.09 1jxs h ILE 33 CO 0.00 0.01 -0.16 0.71 -0.00 0.00 0.00 178.15 178.71 1jxs h THR 34 N 0.05 1.43 0.00 2.19 1.35 -1.75 -2.61 112.91 113.56 1jxs h THR 34 Ca 0.80 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1jxs h THR 34 Cb 2.95 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 71.63 1jxs h THR 34 CO -0.15 0.42 0.00 2.29 -0.25 0.00 0.00 175.52 177.83 1jxs n LYS 35 N -4.59 0.54 0.00 4.72 -0.00 0.11 -3.91 118.16 115.04 1jxs n LYS 35 Ca -0.08 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1jxs n LYS 35 Cb 0.40 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.93 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 -1.08 0.00 -2.91 -5.58 3.02 -0.66 -5.02 115.26 103.04 1jxs n ASN 36 Ca 0.14 0.04 -0.12 0.00 -0.03 0.00 0.00 54.58 54.61 1jxs n ASN 36 Cb 0.09 -0.49 0.08 0.00 -0.61 0.00 0.00 39.78 38.85 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 -2.44 -3.74 0.00 3.10 4.01 -1.00 -5.08 117.16 112.02 1jxs n TYR 37 Ca 0.00 -0.59 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1jxs n TYR 37 Cb 0.00 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 -2.07 0.00 -2.72 -0.72 -0.04 -1.26 -4.80 135.00 123.39 1jxs n PRO 38 Ca 0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.29 1jxs n PRO 38 Cb 0.25 -0.02 0.03 0.00 -0.04 0.00 0.00 33.50 33.71 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 3.14 0.00 0.54 1.13 -1.26 -4.91 117.35 115.98 1jxs s TYR 39 Ca 0.00 0.30 0.00 0.00 -1.41 0.00 0.00 57.07 55.96 1jxs s TYR 39 Cb 0.00 -2.57 0.00 0.00 -1.10 0.00 0.00 41.96 38.29 1jxs s TYR 39 CO 0.00 -0.65 0.00 0.98 -2.51 0.00 0.00 175.55 173.37 1jxs n TYR 40 N -2.31 0.00 1.64 -3.49 4.19 -1.26 -4.93 117.16 111.00 1jxs n TYR 40 Ca 0.04 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.39 1jxs n TYR 40 Cb 0.58 0.00 0.62 0.00 0.49 0.00 0.00 39.34 41.03 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 1.44 -0.00 2.98 0.63 -1.26 -3.28 116.66 117.17 1jxs n ARG 41 Ca 0.00 -0.64 -0.07 0.00 -0.92 0.00 0.00 57.85 56.22 1jxs n ARG 41 Cb 0.00 -1.46 -0.05 0.00 0.45 0.00 0.00 32.46 31.40 1jxs n ARG 41 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1jxs h THR 42 N 1.50 0.64 0.00 5.15 1.35 -1.97 -3.44 112.91 116.14 1jxs h THR 42 Ca 0.00 -1.31 -0.23 0.00 -0.55 0.00 0.00 66.41 64.32 1jxs h THR 42 Cb 0.32 1.17 -0.14 0.00 -1.73 0.00 0.00 68.15 67.76 1jxs h THR 42 CO 0.00 0.20 -0.46 0.00 -0.25 0.00 0.00 175.52 175.01 1jxs n ALA 43 N -2.68 -1.20 -2.58 6.62 0.00 -1.26 -5.15 120.51 114.27 1jxs n ALA 43 Ca -0.05 -1.41 -0.26 0.00 0.00 0.00 0.00 53.44 51.71 1jxs n ALA 43 Cb 0.20 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.52 3.56 0.22 0.00 1.11 -1.20 -5.01 116.67 113.82 1jxs s ASP 44 Ca 0.28 -1.36 -0.31 0.00 0.18 0.00 0.00 52.55 51.34 1jxs s ASP 44 Cb 0.25 -0.33 -0.15 0.00 1.07 0.00 0.00 42.92 43.76 1jxs s ASP 44 CO -0.17 -0.46 1.14 1.17 1.18 0.00 0.00 175.17 178.03 1jxs n LYS 45 N -0.89 1.30 -1.47 8.23 4.81 -1.26 -4.59 118.16 124.29 1jxs n LYS 45 Ca -0.04 0.46 -0.16 0.00 -0.87 0.00 0.00 58.31 57.70 1jxs n LYS 45 Cb 0.67 -1.93 -0.14 0.00 0.02 0.00 0.00 35.03 33.64 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 1.79 -0.32 0.06 3.14 0.00 -1.26 -4.56 105.19 104.04 1jxs n GLY 46 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 10.96 0.00 0.00 1.61 4.27 -1.26 -4.16 117.44 128.86 1jxs n TRP 47 Ca 0.51 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.12 1jxs n TRP 47 Cb 0.30 -0.77 0.00 0.00 -1.36 0.00 0.00 31.31 29.49 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 -2.52 0.00 0.18 -2.67 3.00 -1.26 0.43 117.38 114.54 1jxs n GLN 48 Ca -0.20 0.64 0.12 0.00 -0.01 0.00 0.00 57.00 57.55 1jxs n GLN 48 Cb 0.89 -1.27 0.64 0.00 0.00 0.00 0.00 30.24 30.50 1jxs n GLN 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1jxs h ASN 49 N 0.00 0.00 0.24 1.08 -0.73 -1.96 -0.88 115.58 113.34 1jxs h ASN 49 Ca 0.00 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.05 1jxs h ASN 49 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1jxs h ASN 49 CO 0.00 0.00 -0.46 -1.28 -0.37 0.00 0.00 177.43 175.32 1jxs h SER 50 N 0.00 0.28 0.58 1.15 0.87 -0.18 -3.27 113.55 112.98 1jxs h SER 50 Ca 0.00 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1jxs h SER 50 Cb 0.06 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1jxs h SER 50 CO 0.00 0.71 -0.42 0.40 -0.53 0.00 0.00 176.83 176.99 1jxs h ILE 51 N 0.22 0.00 -0.92 2.23 1.08 0.40 0.42 117.51 120.95 1jxs h ILE 51 Ca 0.01 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.75 1jxs h ILE 51 Cb 0.90 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 1jxs h ILE 51 CO 0.07 0.00 1.16 -0.09 -0.69 0.00 0.00 178.15 178.61 1jxs h ARG 52 N -0.96 0.00 -0.07 2.37 1.12 -1.72 0.13 114.38 115.25 1jxs h ARG 52 Ca -0.08 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.82 1jxs h ARG 52 Cb 0.79 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.72 1jxs h ARG 52 CO 0.03 0.00 -0.13 1.25 -3.11 0.00 0.00 179.97 178.01 1jxs h HIS 53 N 0.00 -0.33 -0.00 2.20 2.76 -1.00 -2.30 115.15 116.48 1jxs h HIS 53 Ca 0.44 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.46 1jxs h HIS 53 Cb 2.76 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 31.86 1jxs h HIS 53 CO 0.00 -0.19 -0.79 -2.95 -1.30 0.00 0.00 177.93 172.70 1jxs h ASN 54 N -0.19 0.03 -1.71 3.26 7.08 -0.85 -3.13 115.58 120.08 1jxs h ASN 54 Ca 0.07 -0.02 0.50 0.00 -3.08 0.00 0.00 56.30 53.76 1jxs h ASN 54 Cb 0.28 -0.01 -0.07 0.00 -2.08 0.00 0.00 38.32 36.45 1jxs h ASN 54 CO -0.18 0.80 1.35 0.18 -2.08 0.00 0.00 177.43 177.50 1jxs n LEU 55 N -3.62 0.00 -0.11 6.14 7.99 -0.87 0.20 117.00 126.73 1jxs n LEU 55 Ca -0.01 0.91 -0.13 0.00 -0.01 0.00 0.00 56.01 56.77 1jxs n LEU 55 Cb 0.75 -0.43 -0.14 0.00 -0.11 0.00 0.00 43.42 43.50 1jxs n LEU 55 CO 0.45 -0.91 -1.22 -1.54 -1.51 0.00 0.00 177.39 172.65 1jxs n SER 56 N -3.70 0.91 -0.32 -1.43 3.41 -1.19 -4.30 113.62 106.99 1jxs n SER 56 Ca 0.38 -0.06 0.20 0.00 -0.26 0.00 0.00 58.87 59.14 1jxs n SER 56 Cb 1.86 0.42 0.40 0.00 -0.26 0.00 0.00 64.21 66.63 1jxs n SER 56 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1jxs h LEU 57 N 0.00 0.06 -9.91 1.04 5.85 0.24 -3.37 115.31 109.22 1jxs h LEU 57 Ca -0.55 0.23 -0.51 0.00 0.84 0.00 0.00 57.88 57.90 1jxs h LEU 57 Cb 2.08 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 43.35 1jxs h LEU 57 CO -0.02 -0.27 -0.51 0.20 -0.34 0.00 0.00 178.44 177.50 1jxs s ASN 58 N -4.90 5.32 -0.05 1.25 0.01 -0.75 -5.04 114.94 110.78 1jxs s ASN 58 Ca -0.11 -0.39 0.07 0.00 -0.71 0.00 0.00 52.86 51.72 1jxs s ASN 58 Cb 0.29 -1.18 0.11 0.00 0.41 0.00 0.00 41.25 40.88 1jxs s ASN 58 CO 0.78 -0.15 1.02 0.54 -1.51 0.00 0.00 177.10 177.78 1jxs n ARG 59 N -1.21 0.65 0.00 -0.60 3.00 -1.26 -4.67 116.66 112.56 1jxs n ARG 59 Ca -0.06 -1.59 0.16 0.00 -0.01 0.00 0.00 57.85 56.35 1jxs n ARG 59 Cb 0.59 -0.91 0.90 0.00 0.00 0.00 0.00 32.46 33.04 1jxs n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1jxs n TYR 60 N -0.57 0.00 -3.30 -1.55 0.18 -1.26 -4.77 117.16 105.89 1jxs n TYR 60 Ca 0.06 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.51 1jxs n TYR 60 Cb 0.64 -0.02 -0.06 0.00 -0.38 0.00 0.00 39.34 39.52 1jxs n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1jxs s PHE 61 N -2.03 3.46 -1.15 -3.48 0.08 -1.26 -3.17 117.98 110.42 1jxs s PHE 61 Ca 0.46 1.04 -0.11 0.00 0.12 0.00 0.00 56.93 58.44 1jxs s PHE 61 Cb 0.22 -2.38 0.23 0.00 -0.57 0.00 0.00 43.02 40.52 1jxs s PHE 61 CO 0.37 0.25 1.25 0.42 -0.10 0.00 0.00 175.22 177.41 1jxs s ILE 62 N -1.78 5.58 0.16 0.64 1.01 -0.33 -4.85 121.20 121.63 1jxs s ILE 62 Ca 0.47 -3.07 -0.30 0.00 0.00 0.00 0.00 60.65 57.75 1jxs s ILE 62 Cb -0.12 -4.74 -0.07 0.00 0.01 0.00 0.00 42.46 37.54 1jxs s ILE 62 CO 0.20 -1.37 1.05 -1.59 0.00 0.00 0.00 174.94 173.23 1jxs s LYS 63 N -0.02 4.64 -0.53 2.79 -2.85 -1.26 -3.06 119.74 119.46 1jxs s LYS 63 Ca 0.36 1.63 0.04 0.00 -1.00 0.00 0.00 55.97 56.99 1jxs s LYS 63 Cb -0.07 -3.31 0.14 0.00 -2.06 0.00 0.00 37.83 32.53 1jxs s LYS 63 CO -0.05 0.14 0.29 0.14 0.10 0.00 0.00 175.35 175.97 1jxs s VAL 64 N -0.22 2.37 -0.08 1.79 -7.23 -1.08 -4.95 120.40 111.00 1jxs s VAL 64 Ca 0.48 -3.30 -0.02 0.00 -1.81 0.00 0.00 61.98 57.34 1jxs s VAL 64 Cb -0.27 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1jxs s VAL 64 CO 0.33 -0.85 0.09 1.55 -0.31 0.00 0.00 175.10 175.91 1jxs h PRO 65 N 6.38 -0.07 -3.67 4.82 0.13 -1.89 -3.38 132.00 134.32 1jxs h PRO 65 Ca -0.03 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.35 1jxs h PRO 65 Cb 0.88 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 31.86 1jxs h PRO 65 CO 0.65 -0.05 1.86 -2.13 -0.23 0.00 0.00 178.00 178.10 1jxs n ARG 66 N -4.55 3.62 -0.04 0.86 0.63 -1.26 -4.72 116.66 111.20 1jxs n ARG 66 Ca -0.01 -3.63 -0.12 0.00 -0.92 0.00 0.00 57.85 53.17 1jxs n ARG 66 Cb 0.03 -2.92 -0.11 0.00 0.45 0.00 0.00 32.46 29.91 1jxs n ARG 66 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1jxs h SER 67 N 5.95 -0.03 -0.85 6.15 0.02 -1.91 -3.46 113.55 119.42 1jxs h SER 67 Ca 0.37 -0.71 0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1jxs h SER 67 Cb 0.67 0.01 -0.21 0.00 0.14 0.00 0.00 62.40 63.01 1jxs h SER 67 CO 1.55 0.75 -0.29 -1.58 -1.14 0.00 0.00 176.83 176.13 1jxs s GLN 68 N -2.82 0.48 -1.07 3.45 0.74 -1.26 -4.98 119.66 114.20 1jxs s GLN 68 Ca -0.16 0.53 -0.22 0.00 0.05 0.00 0.00 55.36 55.56 1jxs s GLN 68 Cb -0.01 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.38 1jxs s GLN 68 CO 0.61 -0.84 0.65 -1.91 -0.55 0.00 0.00 175.29 173.25 1jxs n GLU 69 N 5.37 -0.73 -3.91 1.67 0.00 -1.26 -4.91 120.64 116.87 1jxs n GLU 69 Ca 0.05 0.33 -0.30 0.00 0.00 0.00 0.00 57.16 57.24 1jxs n GLU 69 Cb 0.54 -2.42 -0.14 0.00 0.00 0.00 0.00 31.44 29.42 1jxs n GLU 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1jxs s GLU 70 N -6.50 1.43 -0.30 5.31 2.12 -1.26 -5.08 118.70 114.43 1jxs s GLU 70 Ca 0.31 -1.93 -0.29 0.00 0.36 0.00 0.00 54.97 53.42 1jxs s GLU 70 Cb -0.17 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.34 1jxs s GLU 70 CO 0.95 -1.02 1.23 -1.25 -0.54 0.00 0.00 175.26 174.63 1jxs s PRO 71 N 0.67 3.97 0.00 4.30 0.04 -1.26 -4.66 135.00 138.05 1jxs s PRO 71 Ca 0.13 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1jxs s PRO 71 Cb -0.21 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1jxs s PRO 71 CO -0.08 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1jxs n GLY 72 N 4.16 -1.52 0.00 0.56 0.00 -1.26 -5.11 105.19 102.02 1jxs n GLY 72 Ca 0.14 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1jxs n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jxs n LYS 73 N 0.00 0.00 -1.97 1.61 5.02 -1.26 -5.16 118.16 116.40 1jxs n LYS 73 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1jxs n LYS 73 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1jxs n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jxs n GLY 74 N 0.00 1.69 2.19 0.72 0.00 -1.26 -4.53 105.19 103.99 1jxs n GLY 74 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.71 -3.36 -3.80 1.61 7.64 -1.26 -4.86 113.62 106.89 1jxs n SER 75 Ca 0.09 0.73 -0.13 0.00 1.01 0.00 0.00 58.87 60.58 1jxs n SER 75 Cb 0.32 3.21 -0.12 0.00 -1.01 0.00 0.00 64.21 66.61 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 -2.00 -0.24 -0.49 1.43 5.36 -1.26 -4.56 117.98 116.22 1jxs s PHE 76 Ca 0.00 0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 56.55 1jxs s PHE 76 Cb 0.00 0.08 0.13 0.00 -0.34 0.00 0.00 43.02 42.89 1jxs s PHE 76 CO 0.00 -0.13 0.27 -1.58 -1.46 0.00 0.00 175.22 172.31 1jxs s TRP 77 N 0.03 3.48 0.05 10.12 0.52 0.01 -2.65 118.94 130.51 1jxs s TRP 77 Ca -0.01 -2.76 0.00 0.00 0.02 0.00 0.00 56.10 53.35 1jxs s TRP 77 Cb -0.02 -3.09 0.01 0.00 -1.15 0.00 0.00 33.47 29.22 1jxs s TRP 77 CO 0.00 -0.88 0.07 2.89 0.02 0.00 0.00 176.95 179.05 1jxs n ARG 78 N 3.88 0.68 -5.06 4.98 1.85 -1.17 -2.59 116.66 119.23 1jxs n ARG 78 Ca 0.04 -0.20 -0.30 0.00 -1.00 0.00 0.00 57.85 56.38 1jxs n ARG 78 Cb 0.38 -0.04 -0.17 0.00 -1.05 0.00 0.00 32.46 31.59 1jxs n ARG 78 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1jxs s ILE 79 N 0.21 1.81 0.95 8.89 1.10 -0.79 -1.19 121.20 132.19 1jxs s ILE 79 Ca 0.05 -0.88 -0.15 0.00 -0.51 0.00 0.00 60.65 59.16 1jxs s ILE 79 Cb -0.00 -1.57 0.17 0.00 0.15 0.00 0.00 42.46 41.20 1jxs s ILE 79 CO 0.03 0.51 1.21 -1.81 -2.11 0.00 0.00 174.94 172.77 1jxs s ASP 80 N 0.36 3.20 0.23 4.50 1.01 -1.19 -4.80 116.67 119.98 1jxs s ASP 80 Ca -0.16 0.62 0.04 0.00 0.71 0.00 0.00 52.55 53.75 1jxs s ASP 80 Cb -0.17 -0.93 0.22 0.00 1.01 0.00 0.00 42.92 43.06 1jxs s ASP 80 CO 0.07 -2.71 1.54 1.55 0.21 0.00 0.00 175.17 175.84 1jxs h PRO 81 N -1.61 0.27 -1.01 8.23 0.13 -2.00 -2.92 132.00 133.08 1jxs h PRO 81 Ca -0.46 -0.19 -0.63 0.00 -0.87 0.00 0.00 66.00 63.85 1jxs h PRO 81 Cb 1.29 0.03 -0.35 0.00 0.13 0.00 0.00 31.00 32.10 1jxs h PRO 81 CO 0.50 0.80 0.11 0.00 -0.23 0.00 0.00 178.00 179.18 1jxs n ALA 82 N -2.47 5.75 0.09 -0.56 0.00 -1.26 -4.59 120.51 117.46 1jxs n ALA 82 Ca -0.03 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1jxs n ALA 82 Cb 0.63 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.78 -0.09 -0.19 0.00 7.64 -1.18 -4.68 113.62 114.34 1jxs n SER 83 Ca 0.53 0.30 0.18 0.00 1.01 0.00 0.00 58.87 60.90 1jxs n SER 83 Cb 0.75 0.25 0.34 0.00 -1.01 0.00 0.00 64.21 64.53 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 -3.12 -0.04 -0.05 1.43 -0.00 -1.11 0.24 120.64 118.00 1jxs n GLU 84 Ca 0.00 0.82 -0.14 0.00 -0.00 0.00 0.00 57.16 57.84 1jxs n GLU 84 Cb 0.01 -1.45 -0.12 0.00 -0.00 0.00 0.00 31.44 29.88 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 -0.00 -1.01 -1.84 4.64 -1.87 -3.04 113.55 110.44 1jxs h SER 85 Ca 0.49 -0.78 0.23 0.00 -0.47 0.00 0.00 61.79 61.26 1jxs h SER 85 Cb 1.29 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 1jxs h SER 85 CO -0.46 0.78 0.62 0.50 -0.87 0.00 0.00 176.83 177.40 1jxs h LYS 86 N -0.78 0.57 -0.02 4.77 1.63 0.28 0.18 116.57 123.20 1jxs h LYS 86 Ca -0.00 -0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.58 1jxs h LYS 86 Cb 0.78 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1jxs h LYS 86 CO 0.00 0.37 -0.81 1.37 -3.45 0.00 0.00 179.45 176.94 1jxs h LEU 87 N 0.58 0.26 -2.01 5.20 -0.00 -1.29 -2.60 115.31 115.45 1jxs h LEU 87 Ca 0.59 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 58.28 1jxs h LEU 87 Cb 1.18 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1jxs h LEU 87 CO -0.37 0.96 -0.01 0.16 -0.00 0.00 0.00 178.44 179.18 1jxs h ILE 88 N 0.13 0.04 -0.01 0.15 -2.65 -0.85 0.53 117.51 114.84 1jxs h ILE 88 Ca -0.03 -0.35 -0.14 0.00 1.03 0.00 0.00 64.86 65.37 1jxs h ILE 88 Cb 1.41 1.33 -0.02 0.00 -2.05 0.00 0.00 36.82 37.49 1jxs h ILE 88 CO 0.12 0.01 -0.66 -0.08 0.03 0.00 0.00 178.15 177.58 1jxs h GLU 89 N 0.00 0.04 -0.01 0.16 4.57 -1.00 -1.37 114.58 116.98 1jxs h GLU 89 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1jxs h GLU 89 Cb 0.33 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1jxs h GLU 89 CO 0.00 0.68 -0.75 0.94 -1.18 0.00 0.00 179.01 178.71 1jxs n GLN 90 N -3.77 0.47 -0.03 1.92 -0.06 0.10 -4.08 117.38 111.93 1jxs n GLN 90 Ca -0.01 -0.38 -0.02 0.00 -2.00 0.00 0.00 57.00 54.59 1jxs n GLN 90 Cb 0.65 -1.49 -0.01 0.00 -4.06 0.00 0.00 30.24 25.33 1jxs n GLN 90 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jxs n ALA 91 N -0.94 0.24 -0.21 1.69 0.00 0.16 -4.24 120.51 117.22 1jxs n ALA 91 Ca 0.06 -0.36 0.30 0.00 0.00 0.00 0.00 53.44 53.44 1jxs n ALA 91 Cb 0.38 0.01 0.63 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.33 0.00 0.00 0.00 0.04 -1.48 -3.37 116.94 111.80 1jxs h PHE 92 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jxs h PHE 92 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1jxs h PHE 92 CO -0.12 0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 175.46 1jxs n ARG 93 N -3.61 2.47 -0.95 1.51 0.63 -1.26 -5.09 116.66 110.36 1jxs n ARG 93 Ca 0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1jxs n ARG 93 Cb 1.29 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.20 1jxs n ARG 93 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1jxs n LYS 94 N 0.00 0.28 -3.30 -0.14 4.81 -1.26 -5.05 118.16 113.50 1jxs n LYS 94 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1jxs n LYS 94 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1jxs n LYS 94 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1jxs s ARG 95 N -0.42 3.71 -0.54 1.64 3.52 -1.26 -4.97 118.95 120.63 1jxs s ARG 95 Ca 0.00 0.16 -0.05 0.00 -0.13 0.00 0.00 55.73 55.72 1jxs s ARG 95 Cb 0.00 -2.61 0.14 0.00 -1.56 0.00 0.00 34.95 30.92 1jxs s ARG 95 CO 0.00 0.21 0.37 0.50 -0.81 0.00 0.00 175.30 175.57 1jxs s ARG 96 N -3.34 2.44 0.00 5.12 3.52 -1.26 -4.90 118.95 120.54 1jxs s ARG 96 Ca 0.46 -2.16 0.25 0.00 -0.13 0.00 0.00 55.73 54.15 1jxs s ARG 96 Cb -0.11 -3.77 1.49 0.00 -1.56 0.00 0.00 34.95 31.00 1jxs s ARG 96 CO 0.27 -1.15 1.91 -0.35 -0.81 0.00 0.00 175.30 175.17 1jxs n PRO 97 N 4.14 0.91 0.00 5.12 -0.04 -1.26 -5.32 135.00 138.55 1jxs n PRO 97 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1jxs n PRO 97 Cb 0.40 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1jxs n PRO 97 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00