#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxs h LEU 2 N 0.00 0.32 -0.49 1.04 3.38 -1.65 -0.83 115.31 117.07 1xxs h LEU 2 Ca 0.00 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1xxs h LEU 2 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xxs h LEU 2 CO 0.00 0.17 -0.27 0.15 0.09 0.00 0.00 178.44 178.59 1xxs h PHE 3 N 0.34 1.10 -0.15 1.13 3.57 -1.95 -1.10 116.94 119.89 1xxs h PHE 3 Ca 0.32 -0.28 -0.22 0.00 3.53 0.00 0.00 57.97 61.32 1xxs h PHE 3 Cb 0.79 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1xxs h PHE 3 CO -0.00 1.10 -0.76 0.93 -2.23 0.00 0.00 178.31 177.35 1xxs h GLU 4 N 0.81 0.74 -0.34 1.11 3.07 -1.59 -1.59 114.58 116.79 1xxs h GLU 4 Ca 0.09 -0.60 0.01 0.00 -0.50 0.00 0.00 59.36 58.36 1xxs h GLU 4 Cb 0.84 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 1xxs h GLU 4 CO 0.07 1.21 0.21 1.25 -1.40 0.00 0.00 179.01 180.36 1xxs h LEU 5 N 0.51 0.36 -0.59 1.33 5.85 -1.22 -1.24 115.31 120.31 1xxs h LEU 5 Ca -0.05 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 1xxs h LEU 5 Cb 1.38 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1xxs h LEU 5 CO 0.15 0.26 -0.47 1.23 -0.34 0.00 0.00 178.44 179.27 1xxs h GLY 6 N 0.43 0.63 1.03 3.75 0.00 -1.06 -1.49 103.07 106.36 1xxs h GLY 6 Ca 0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1xxs h GLY 6 CO -0.04 0.61 0.48 1.70 0.00 0.00 0.00 176.54 179.29 1xxs h LYS 7 N 0.46 1.24 -0.53 4.80 3.64 -0.98 -1.35 116.57 123.86 1xxs h LYS 7 Ca 0.03 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1xxs h LYS 7 Cb 1.00 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1xxs h LYS 7 CO 0.09 0.91 -0.08 0.52 -2.27 0.00 0.00 179.45 178.63 1xxs h MET 8 N 1.24 0.99 -0.74 1.90 2.86 -0.70 -1.47 114.93 119.02 1xxs h MET 8 Ca 0.31 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1xxs h MET 8 Cb 0.04 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1xxs h MET 8 CO -0.05 1.03 0.32 0.82 1.06 0.00 0.00 176.91 180.09 1xxs h ILE 9 N 0.86 1.25 -0.61 -1.22 2.04 -1.09 -0.67 117.51 118.06 1xxs h ILE 9 Ca 0.14 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1xxs h ILE 9 Cb 0.64 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1xxs h ILE 9 CO 0.04 0.30 0.34 0.25 0.00 0.00 0.00 178.15 179.09 1xxs h LEU 10 N 1.04 0.75 -0.47 1.44 5.85 -0.83 -0.51 115.31 122.59 1xxs h LEU 10 Ca 0.25 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xxs h LEU 10 Cb 0.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1xxs h LEU 10 CO -0.03 0.62 0.22 1.56 -0.34 0.00 0.00 178.44 180.47 1xxs h GLN 11 N 0.82 0.68 0.12 1.25 4.20 -1.00 0.58 115.11 121.76 1xxs h GLN 11 Ca 0.21 -0.10 -0.30 0.00 0.06 0.00 0.00 58.65 58.52 1xxs h GLN 11 Cb 0.03 -0.12 0.03 0.00 0.30 0.00 0.00 27.48 27.72 1xxs h GLN 11 CO -0.04 0.58 -1.25 0.93 -0.67 0.00 0.00 178.83 178.39 1xxs h GLU 12 N 0.62 0.62 0.00 1.46 4.39 -0.95 -3.38 114.58 117.34 1xxs h GLU 12 Ca 0.16 -0.83 -0.25 0.00 0.34 0.00 0.00 59.36 58.78 1xxs h GLU 12 Cb 0.13 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1xxs h GLU 12 CO -0.02 1.38 -2.15 0.25 -1.16 0.00 0.00 179.01 177.31 1xxs n THR 13 N -3.79 1.04 -1.01 1.13 -2.24 -0.21 -4.77 114.28 104.43 1xxs n THR 13 Ca -0.14 -0.75 -0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1xxs n THR 13 Cb 0.99 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1xxs n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxs n GLY 15 N 1.58 0.45 3.75 3.38 0.00 0.20 -5.03 105.19 109.51 1xxs n GLY 15 Ca -0.22 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1xxs n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxs s LYS 16 N -0.51 2.94 -0.28 1.61 -0.14 -1.25 -5.03 119.74 117.08 1xxs s LYS 16 Ca 0.00 -0.56 -0.32 0.00 -1.36 0.00 0.00 55.97 53.73 1xxs s LYS 16 Cb 0.00 -2.77 -0.09 0.00 -1.68 0.00 0.00 37.83 33.29 1xxs s LYS 16 CO 0.00 0.63 2.19 -1.71 -0.76 0.00 0.00 175.35 175.70 1xxs n ASN 17 N 1.14 2.70 -0.13 2.83 4.05 -1.26 -4.20 115.26 120.39 1xxs n ASN 17 Ca -0.13 0.34 -0.11 0.00 0.45 0.00 0.00 54.58 55.14 1xxs n ASN 17 Cb 0.53 -1.40 0.02 0.00 1.23 0.00 0.00 39.78 40.16 1xxs n ASN 17 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1xxs h PRO 18 N 13.44 0.92 -0.46 1.20 0.13 -1.92 0.26 132.00 145.57 1xxs h PRO 18 Ca -0.34 -0.41 -0.07 0.00 -0.87 0.00 0.00 66.00 64.31 1xxs h PRO 18 Cb 1.28 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1xxs h PRO 18 CO 0.99 1.06 0.03 0.00 -0.23 0.00 0.00 178.00 179.85 1xxs h ALA 19 N 0.91 0.62 -0.28 -0.56 0.00 -1.94 -1.30 119.26 116.72 1xxs h ALA 19 Ca 0.10 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xxs h ALA 19 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xxs h ALA 19 CO 0.07 0.39 -0.13 -0.22 0.00 0.00 0.00 179.25 179.36 1xxs h LYS 20 N 0.65 0.58 0.01 0.00 3.64 -1.93 -0.82 116.57 118.70 1xxs h LYS 20 Ca 0.13 -0.25 -0.20 0.00 -1.27 0.00 0.00 60.65 59.06 1xxs h LYS 20 Cb 0.46 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1xxs h LYS 20 CO 0.02 0.82 -0.90 0.77 -2.27 0.00 0.00 179.45 177.88 1xxs h SER 21 N 0.32 0.23 0.00 4.20 0.02 -0.90 -3.40 113.55 114.02 1xxs h SER 21 Ca 0.06 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1xxs h SER 21 Cb 0.64 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1xxs h SER 21 CO 0.04 1.02 0.00 -1.22 -1.14 0.00 0.00 176.83 175.53 1xxs n TYR 22 N -3.63 0.00 0.22 3.45 4.02 -0.51 -4.56 117.16 116.16 1xxs n TYR 22 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.94 1xxs n TYR 22 Cb 0.83 0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.65 1xxs n TYR 22 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1xxs h GLY 23 N 0.00 0.00 -2.49 2.72 0.00 -0.95 -2.96 103.07 99.40 1xxs h GLY 23 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1xxs h GLY 23 CO 0.00 0.00 -0.90 -0.62 0.00 0.00 0.00 176.54 175.02 1xxs n VAL 24 N -3.69 0.54 -2.78 4.60 0.31 -1.25 -1.60 118.33 114.46 1xxs n VAL 24 Ca -0.01 -1.54 -0.41 0.00 -0.01 0.00 0.00 64.34 62.37 1xxs n VAL 24 Cb 0.37 0.69 -0.04 0.00 -0.91 0.00 0.00 33.84 33.95 1xxs n VAL 24 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1xxs s TYR 25 N -0.79 3.69 0.00 3.52 6.14 -1.13 -0.55 117.35 128.23 1xxs s TYR 25 Ca 0.35 1.64 0.00 0.00 0.64 0.00 0.00 57.07 59.70 1xxs s TYR 25 Cb 0.38 -3.04 0.00 0.00 0.42 0.00 0.00 41.96 39.73 1xxs s TYR 25 CO -0.14 0.08 0.00 0.41 0.64 0.00 0.00 175.55 176.54 1xxs n GLY 26 N 2.73 0.94 0.35 8.97 0.00 0.04 -2.00 105.19 116.21 1xxs n GLY 26 Ca 0.03 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.47 1xxs n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxs n ASN 28 N -0.34 3.60 -4.71 0.00 3.02 -1.24 -3.20 115.26 112.39 1xxs n ASN 28 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 1xxs n ASN 28 Cb 0.38 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 40.02 1xxs n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xxs n GLY 30 N 3.05 0.37 3.54 0.00 0.00 -1.17 -3.26 105.19 107.72 1xxs n GLY 30 Ca 0.08 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1xxs n GLY 30 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xxs n VAL 31 N 0.00 2.32 -2.74 1.61 0.24 -0.62 -4.78 118.33 114.35 1xxs n VAL 31 Ca 0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1xxs n VAL 31 Cb 0.00 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1xxs n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxs n GLY 32 N 1.37 -1.93 0.00 7.63 0.00 -1.26 -4.94 105.19 106.07 1xxs n GLY 32 Ca 0.12 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1xxs n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxs n GLY 33 N 0.00 1.68 3.93 -0.02 0.00 -1.26 -5.04 105.19 104.48 1xxs n GLY 33 Ca 0.00 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.81 1xxs n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxs s ARG 34 N 2.94 3.15 0.38 1.61 0.52 -1.26 -4.50 118.95 121.79 1xxs s ARG 34 Ca 0.00 -0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 1xxs s ARG 34 Cb 0.00 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 33.07 1xxs s ARG 34 CO 0.00 -0.37 0.67 0.20 0.02 0.00 0.00 175.30 175.83 1xxs s GLY 35 N -4.21 0.85 0.09 -3.53 0.00 -1.19 -4.14 107.32 95.19 1xxs s GLY 35 Ca 0.49 -1.08 -0.33 0.00 0.00 0.00 0.00 44.72 43.80 1xxs s GLY 35 CO 0.42 -0.59 1.74 1.17 0.00 0.00 0.00 173.10 175.84 1xxs n LYS 36 N -0.55 2.40 -2.11 2.90 0.00 0.38 -4.59 118.16 116.59 1xxs n LYS 36 Ca -0.05 0.87 -0.41 0.00 0.00 0.00 0.00 58.31 58.73 1xxs n LYS 36 Cb 0.60 -2.71 -0.02 0.00 0.00 0.00 0.00 35.03 32.91 1xxs n LYS 36 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1xxs s PRO 37 N 2.25 4.35 0.17 1.64 0.02 -1.26 -4.62 135.00 137.55 1xxs s PRO 37 Ca 0.83 2.22 0.15 0.00 0.02 0.00 0.00 61.00 64.21 1xxs s PRO 37 Cb -0.61 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 30.80 1xxs s PRO 37 CO 0.40 -0.19 1.17 0.87 -0.33 0.00 0.00 177.00 178.93 1xxs h LYS 38 N 3.38 0.00 0.00 5.54 1.79 -1.91 -3.47 116.57 121.90 1xxs h LYS 38 Ca -0.49 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.08 1xxs h LYS 38 Cb 1.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 1xxs h LYS 38 CO 0.65 0.47 0.43 -0.40 -1.08 0.00 0.00 179.45 179.53 1xxs n ASP 39 N -3.11 -1.58 -0.06 0.86 3.85 -1.26 -4.97 116.55 110.28 1xxs n ASP 39 Ca -0.03 -1.91 -0.08 0.00 -0.71 0.00 0.00 54.79 52.07 1xxs n ASP 39 Cb 0.80 2.59 -0.01 0.00 -1.35 0.00 0.00 41.12 43.15 1xxs n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xxs h ALA 40 N 2.00 0.24 -0.44 2.12 0.00 -1.94 0.23 119.26 121.48 1xxs h ALA 40 Ca -0.24 0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xxs h ALA 40 Cb 1.02 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1xxs h ALA 40 CO 0.32 -0.40 -0.05 1.15 0.00 0.00 0.00 179.25 180.27 1xxs h THR 41 N 0.10 0.62 -0.49 0.00 2.02 -1.90 -1.03 112.91 112.23 1xxs h THR 41 Ca 0.12 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 1xxs h THR 41 Cb 0.15 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1xxs h THR 41 CO -0.19 0.01 0.12 -0.78 0.37 0.00 0.00 175.52 175.05 1xxs h ASP 42 N 0.06 0.69 -0.79 4.18 -0.00 -1.74 -2.34 116.42 116.48 1xxs h ASP 42 Ca 0.21 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.03 57.10 1xxs h ASP 42 Cb 0.32 -0.18 -0.04 0.00 -0.00 0.00 0.00 39.33 39.44 1xxs h ASP 42 CO -0.40 0.69 0.37 -0.09 -0.00 0.00 0.00 179.24 179.81 1xxs h ARG 43 N 0.72 1.15 -0.54 0.28 2.43 0.38 -1.08 114.38 117.72 1xxs h ARG 43 Ca 0.16 -0.18 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1xxs h ARG 43 Cb 0.27 -0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 29.51 1xxs h ARG 43 CO -0.00 0.90 -0.24 0.00 -1.51 0.00 0.00 179.97 179.11 1xxs h TYR 46 N 1.03 -0.13 -0.76 0.00 5.03 -0.99 0.08 116.97 121.23 1xxs h TYR 46 Ca 0.21 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.52 1xxs h TYR 46 Cb 0.41 0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.76 1xxs h TYR 46 CO 0.03 -0.11 0.37 0.28 -1.32 0.00 0.00 178.16 177.42 1xxs h VAL 47 N 0.01 1.24 0.26 1.81 2.07 -1.03 -0.73 116.25 119.87 1xxs h VAL 47 Ca 0.13 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1xxs h VAL 47 Cb 0.19 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1xxs h VAL 47 CO -0.27 0.28 -0.23 -0.74 0.02 0.00 0.00 177.57 176.63 1xxs h HIS 48 N 1.07 -0.61 -0.40 1.57 -0.00 -0.71 0.33 115.15 116.39 1xxs h HIS 48 Ca 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.64 1xxs h HIS 48 Cb 0.11 0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 1xxs h HIS 48 CO 0.01 -0.35 0.27 0.87 -0.00 0.00 0.00 177.93 178.73 1xxs h LYS 49 N -0.51 0.53 -0.57 5.26 1.57 -0.38 -1.92 116.57 120.55 1xxs h LYS 49 Ca -0.01 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1xxs h LYS 49 Cb 0.47 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1xxs h LYS 49 CO -0.04 0.35 0.21 0.00 -0.57 0.00 0.00 179.45 179.40 1xxs h TYR 52 N 0.34 0.00 0.00 0.00 -1.99 -1.20 -2.17 116.97 111.94 1xxs h TYR 52 Ca 0.39 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.12 1xxs h TYR 52 Cb 0.62 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 1xxs h TYR 52 CO -0.22 0.14 -0.02 0.87 -0.00 0.00 0.00 178.16 178.93 1xxs h LYS 53 N 0.00 0.00 0.00 4.88 1.57 -1.35 -2.64 116.57 119.03 1xxs h LYS 53 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xxs h LYS 53 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xxs h LYS 53 CO 0.02 0.02 0.00 -0.22 -0.57 0.00 0.00 179.45 178.69 1xxs h LYS 57 N 0.00 0.00 -5.92 3.15 3.11 -1.44 -3.44 116.57 112.03 1xxs h LYS 57 Ca -0.00 0.00 -0.58 0.00 -2.81 0.00 0.00 60.65 57.26 1xxs h LYS 57 Cb 0.54 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.70 1xxs h LYS 57 CO 0.00 0.00 0.37 -0.51 -2.81 0.00 0.00 179.45 176.50 1xxs s LEU 58 N -5.48 4.17 -0.08 5.20 1.43 -1.00 -5.05 118.68 117.87 1xxs s LEU 58 Ca 0.06 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 1xxs s LEU 58 Cb 0.09 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 1xxs s LEU 58 CO 0.57 -0.39 -0.17 0.42 0.23 0.00 0.00 176.35 177.01 1xxs s THR 59 N 2.13 2.75 -0.58 5.49 -4.23 -1.26 -4.73 115.64 115.21 1xxs s THR 59 Ca 0.37 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1xxs s THR 59 Cb -0.16 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1xxs s THR 59 CO 0.12 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 1xxs n GLY 60 N 2.93 0.41 3.09 3.99 0.00 -1.26 -4.80 105.19 109.55 1xxs n GLY 60 Ca -0.18 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1xxs n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxs s ASP 67 N -2.52 5.26 0.43 0.00 -1.08 -1.26 -5.00 116.67 112.50 1xxs s ASP 67 Ca 0.01 -1.06 0.15 0.00 -0.52 0.00 0.00 52.55 51.12 1xxs s ASP 67 Cb 0.03 -1.86 0.95 0.00 -1.46 0.00 0.00 42.92 40.57 1xxs s ASP 67 CO -0.08 -0.30 1.95 -0.65 0.52 0.00 0.00 175.17 176.62 1xxs h PRO 68 N 8.22 0.00 0.16 4.34 0.11 -1.95 0.41 132.00 143.27 1xxs h PRO 68 Ca -0.25 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.55 1xxs h PRO 68 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xxs h PRO 68 CO 0.60 0.23 -1.47 0.87 -0.21 0.00 0.00 178.00 178.02 1xxs h LYS 69 N 0.00 0.33 0.00 1.05 1.79 -1.94 -2.91 116.57 114.89 1xxs h LYS 69 Ca -0.00 -0.56 -0.37 0.00 -2.18 0.00 0.00 60.65 57.53 1xxs h LYS 69 Cb 0.41 0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 31.20 1xxs h LYS 69 CO 0.03 1.23 -2.40 1.63 -1.08 0.00 0.00 179.45 178.86 1xxs n LYS 70 N -3.54 0.68 -2.86 3.15 4.76 -1.10 -2.69 118.16 116.56 1xxs n LYS 70 Ca -0.15 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 1xxs n LYS 70 Cb 1.05 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 32.68 1xxs n LYS 70 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xxs s ASP 71 N -5.75 6.92 0.43 4.39 -0.00 0.14 -4.72 116.67 118.07 1xxs s ASP 71 Ca -0.16 1.13 -0.22 0.00 -0.00 0.00 0.00 52.55 53.31 1xxs s ASP 71 Cb 0.07 -2.46 -0.10 0.00 -0.00 0.00 0.00 42.92 40.43 1xxs s ASP 71 CO 0.77 -0.48 0.99 -0.13 -0.00 0.00 0.00 175.17 176.32 1xxs s ARG 72 N 2.58 4.13 0.21 8.23 1.81 -1.26 0.37 118.95 135.02 1xxs s ARG 72 Ca 0.37 1.26 -0.01 0.00 -1.72 0.00 0.00 55.73 55.63 1xxs s ARG 72 Cb -0.16 -2.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 1xxs s ARG 72 CO 0.09 -0.13 0.15 1.52 -0.68 0.00 0.00 175.30 176.25 1xxs s TYR 73 N -2.01 1.19 -0.02 -0.53 1.13 -1.26 -4.83 117.35 111.03 1xxs s TYR 73 Ca 0.62 -1.39 -0.02 0.00 -1.41 0.00 0.00 57.07 54.87 1xxs s TYR 73 Cb -0.14 -0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 40.13 1xxs s TYR 73 CO 0.18 -0.67 0.14 -1.12 -2.51 0.00 0.00 175.55 171.57 1xxs s SER 74 N -3.18 6.13 0.20 -0.18 0.01 -1.26 -4.95 113.70 110.48 1xxs s SER 74 Ca 0.39 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.78 1xxs s SER 74 Cb 0.06 -1.88 0.02 0.00 0.21 0.00 0.00 66.02 64.43 1xxs s SER 74 CO 0.13 0.28 0.47 -0.72 0.41 0.00 0.00 173.24 173.82 1xxs s TYR 75 N -1.25 0.03 0.17 2.43 -0.85 -1.26 -1.60 117.35 115.02 1xxs s TYR 75 Ca 0.24 -0.39 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 1xxs s TYR 75 Cb -0.12 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1xxs s TYR 75 CO 0.16 -0.89 -0.13 -1.12 -1.52 0.00 0.00 175.55 172.04 1xxs s SER 76 N -2.91 2.25 -0.41 -0.18 0.01 -0.05 -4.93 113.70 107.48 1xxs s SER 76 Ca 0.12 -0.97 -0.09 0.00 1.31 0.00 0.00 55.95 56.33 1xxs s SER 76 Cb -0.00 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.22 1xxs s SER 76 CO -0.01 -0.20 0.25 0.86 0.41 0.00 0.00 173.24 174.55 1xxs s TRP 77 N -2.84 3.34 -0.12 2.43 -0.11 -1.26 0.25 118.94 120.63 1xxs s TRP 77 Ca 0.18 -1.56 -0.00 0.00 1.22 0.00 0.00 56.10 55.93 1xxs s TRP 77 Cb -0.01 -2.94 0.02 0.00 -1.50 0.00 0.00 33.47 29.05 1xxs s TRP 77 CO 0.04 -0.85 -0.10 0.15 -4.62 0.00 0.00 176.95 171.58 1xxs s LYS 78 N 1.41 1.76 -1.42 5.86 1.02 -0.27 -4.69 119.74 123.41 1xxs s LYS 78 Ca 0.03 -0.34 -0.08 0.00 0.02 0.00 0.00 55.97 55.60 1xxs s LYS 78 Cb -0.23 -1.74 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1xxs s LYS 78 CO 0.02 -0.26 0.92 -3.47 -0.92 0.00 0.00 175.35 171.64 1xxs n ASP 79 N 4.88 -3.66 -3.89 2.83 -0.08 -1.26 -1.05 116.55 114.32 1xxs n ASP 79 Ca -0.14 -0.75 -0.28 0.00 -1.51 0.00 0.00 54.79 52.11 1xxs n ASP 79 Cb 0.50 -4.17 0.02 0.00 2.34 0.00 0.00 41.12 39.81 1xxs n ASP 79 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1xxs n LYS 80 N -4.57 -4.78 -4.31 -0.67 5.02 -1.26 -4.96 118.16 102.63 1xxs n LYS 80 Ca -0.09 0.55 -0.19 0.00 -2.02 0.00 0.00 58.31 56.56 1xxs n LYS 80 Cb 0.59 -5.22 -0.15 0.00 -0.02 0.00 0.00 35.03 30.23 1xxs n LYS 80 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xxs s THR 81 N -3.51 0.67 0.10 -0.18 2.01 -0.22 -5.11 115.64 109.40 1xxs s THR 81 Ca 0.38 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1xxs s THR 81 Cb -0.19 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.65 1xxs s THR 81 CO 0.84 0.22 1.16 -0.63 -0.69 0.00 0.00 174.62 175.51 1xxs s ILE 82 N 0.20 4.03 -0.10 1.82 1.01 -1.26 -1.12 121.20 125.79 1xxs s ILE 82 Ca -0.03 1.54 0.02 0.00 0.00 0.00 0.00 60.65 62.18 1xxs s ILE 82 Cb -0.08 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1xxs s ILE 82 CO 0.00 0.17 -0.14 -0.69 0.00 0.00 0.00 174.94 174.28 1xxs s VAL 83 N 0.64 1.37 0.14 2.92 1.01 0.14 -4.95 120.40 121.67 1xxs s VAL 83 Ca 0.55 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 1xxs s VAL 83 Cb -0.29 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.76 1xxs s VAL 83 CO 0.31 0.41 0.81 0.00 0.00 0.00 0.00 175.10 176.63 1xxs h GLY 85 N 4.74 0.00 -6.84 0.00 0.00 -1.66 -3.48 103.07 95.83 1xxs h GLY 85 Ca -0.46 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.34 1xxs h GLY 85 CO 0.68 0.00 -0.78 -0.54 0.00 0.00 0.00 176.54 175.90 1xxs s GLU 86 N -1.67 0.24 0.00 4.80 8.01 -1.26 -5.05 118.70 123.76 1xxs s GLU 86 Ca -0.03 -0.57 0.00 0.00 0.01 0.00 0.00 54.97 54.38 1xxs s GLU 86 Cb -0.00 -1.27 0.00 0.00 -4.31 0.00 0.00 34.13 28.55 1xxs s GLU 86 CO 0.10 -1.00 0.00 0.09 0.01 0.00 0.00 175.26 174.46 1xxs n ASN 87 N 5.21 0.00 -1.10 -0.19 3.02 -1.26 -4.46 115.26 116.48 1xxs n ASN 87 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 1xxs n ASN 87 Cb 0.42 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1xxs n ASN 87 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1xxs n ASN 88 N 0.04 0.14 -0.11 6.41 2.85 -1.26 -4.60 115.26 118.73 1xxs n ASN 88 Ca 0.00 0.11 0.09 0.00 -0.11 0.00 0.00 54.58 54.67 1xxs n ASN 88 Cb 0.00 -0.23 0.43 0.00 1.24 0.00 0.00 39.78 41.22 1xxs n ASN 88 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1xxs h SER 89 N 2.60 0.50 -0.10 1.20 0.02 -2.00 -0.73 113.55 115.04 1xxs h SER 89 Ca -0.02 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1xxs h SER 89 Cb 0.34 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1xxs h SER 89 CO 0.31 0.32 -0.27 0.00 -1.14 0.00 0.00 176.83 176.04 1xxs h LEU 92 N -0.09 0.48 -0.41 0.00 3.38 -1.52 0.77 115.31 117.92 1xxs h LEU 92 Ca -0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1xxs h LEU 92 Cb 0.89 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1xxs h LEU 92 CO 0.06 0.52 0.11 0.50 0.09 0.00 0.00 178.44 179.71 1xxs h LYS 93 N 0.50 0.65 -0.12 1.13 3.64 -1.21 0.86 116.57 122.02 1xxs h LYS 93 Ca 0.11 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 1xxs h LYS 93 Cb 0.27 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1xxs h LYS 93 CO 0.00 0.66 -0.67 0.93 -2.27 0.00 0.00 179.45 178.10 1xxs h GLU 94 N 0.52 0.48 0.20 1.90 5.08 -1.12 -1.31 114.58 120.34 1xxs h GLU 94 Ca 0.13 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1xxs h GLU 94 Cb 0.30 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xxs h GLU 94 CO 0.00 0.98 -0.10 1.25 -1.00 0.00 0.00 179.01 180.15 1xxs h LEU 95 N 0.34 -0.23 -1.00 1.33 5.85 -0.58 0.15 115.31 121.18 1xxs h LEU 95 Ca -0.02 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1xxs h LEU 95 Cb 1.24 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 1xxs h LEU 95 CO 0.12 -0.02 0.63 0.00 -0.34 0.00 0.00 178.44 178.83 1xxs h GLU 97 N 1.06 0.35 0.10 0.00 4.39 -0.84 0.27 114.58 119.92 1xxs h GLU 97 Ca 0.47 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 60.01 1xxs h GLU 97 Cb 0.35 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1xxs h GLU 97 CO -0.23 0.68 -0.12 0.00 -1.16 0.00 0.00 179.01 178.19 1xxs h ASP 99 N -0.25 1.01 -0.46 0.00 3.45 -0.52 -2.00 116.42 117.66 1xxs h ASP 99 Ca 0.01 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 57.19 1xxs h ASP 99 Cb 0.25 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1xxs h ASP 99 CO -0.05 0.91 -0.17 0.50 -1.57 0.00 0.00 179.24 178.86 1xxs h LYS 100 N 1.07 0.95 -0.64 3.56 3.64 -0.43 -1.86 116.57 122.86 1xxs h LYS 100 Ca 0.24 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1xxs h LYS 100 Cb 0.22 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1xxs h LYS 100 CO -0.02 1.04 0.22 0.00 -2.27 0.00 0.00 179.45 178.42 1xxs h ALA 101 N 0.96 0.84 -0.28 5.00 0.00 -0.96 -1.27 119.26 123.55 1xxs h ALA 101 Ca 0.12 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1xxs h ALA 101 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xxs h ALA 101 CO 0.06 0.49 -0.47 -0.24 0.00 0.00 0.00 179.25 179.08 1xxs h VAL 102 N 0.92 1.29 -0.66 0.00 3.04 -0.97 -1.21 116.25 118.67 1xxs h VAL 102 Ca 0.21 -1.67 -0.06 0.00 -1.01 0.00 0.00 66.70 64.17 1xxs h VAL 102 Cb 0.26 1.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 1xxs h VAL 102 CO -0.01 0.54 0.17 0.00 -1.01 0.00 0.00 177.57 177.26 1xxs h ALA 103 N 0.88 1.06 -0.54 3.17 0.00 -0.99 -0.23 119.26 122.61 1xxs h ALA 103 Ca 0.03 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1xxs h ALA 103 Cb 1.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xxs h ALA 103 CO 0.10 0.63 -0.00 0.82 0.00 0.00 0.00 179.25 180.79 1xxs h ILE 104 N 0.98 1.26 -0.00 0.00 2.04 -1.14 -2.17 117.51 118.48 1xxs h ILE 104 Ca 0.21 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1xxs h ILE 104 Cb 0.33 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xxs h ILE 104 CO -0.00 0.40 -0.00 0.00 0.00 0.00 0.00 178.15 178.54 1xxs h LEU 106 N -0.00 0.85 -0.57 0.00 3.38 -0.86 -0.52 115.31 117.59 1xxs h LEU 106 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xxs h LEU 106 Cb 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1xxs h LEU 106 CO -0.00 0.58 0.34 -0.09 0.09 0.00 0.00 178.44 179.36 1xxs h ARG 107 N 1.00 0.66 0.00 1.13 2.43 -0.90 -2.30 114.38 116.40 1xxs h ARG 107 Ca 0.34 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 1xxs h ARG 107 Cb 0.05 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1xxs h ARG 107 CO -0.13 0.44 -0.30 0.93 -1.51 0.00 0.00 179.97 179.40 1xxs h GLU 108 N 0.68 0.00 -0.54 0.20 5.08 -0.26 -2.34 114.58 117.40 1xxs h GLU 108 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xxs h GLU 108 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xxs h GLU 108 CO -0.10 0.30 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 1xxs n ASN 109 N -3.89 4.29 0.29 1.42 3.02 -0.27 -4.50 115.26 115.63 1xxs n ASN 109 Ca -0.02 -2.45 0.14 0.00 -0.03 0.00 0.00 54.58 52.22 1xxs n ASN 109 Cb 0.38 -0.51 0.85 0.00 -0.61 0.00 0.00 39.78 39.89 1xxs n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xxs h LEU 110 N 3.38 0.00 -2.39 3.41 3.38 -0.89 -1.74 115.31 120.46 1xxs h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxs h LEU 110 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xxs h LEU 110 CO 0.18 0.02 0.00 -2.24 0.09 0.00 0.00 178.44 176.49 1xxs h ASP 111 N 0.00 0.00 -0.00 -0.43 2.03 -1.81 -2.02 116.42 114.18 1xxs h ASP 111 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xxs h ASP 111 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1xxs h ASP 111 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.56 1xxs n THR 112 N -3.01 0.81 -1.66 1.15 -2.24 -0.67 -5.03 114.28 103.63 1xxs n THR 112 Ca -0.02 -0.90 -0.46 0.00 -2.27 0.00 0.00 64.05 60.39 1xxs n THR 112 Cb 0.14 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 1xxs n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xxs n TYR 113 N -0.39 2.13 -4.10 4.78 4.19 -0.76 -4.89 117.16 118.11 1xxs n TYR 113 Ca 0.00 0.37 -0.33 0.00 3.31 0.00 0.00 57.90 61.25 1xxs n TYR 113 Cb 0.20 -2.49 -0.16 0.00 0.49 0.00 0.00 39.34 37.39 1xxs n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1xxs s ASN 114 N 0.68 3.48 0.64 2.98 3.84 -1.26 -4.98 114.94 120.32 1xxs s ASN 114 Ca 0.77 -0.84 0.36 0.00 0.21 0.00 0.00 52.86 53.35 1xxs s ASN 114 Cb -0.71 -1.50 2.00 0.00 -0.55 0.00 0.00 41.25 40.49 1xxs s ASN 114 CO 0.42 -0.05 2.21 0.11 -2.79 0.00 0.00 177.10 177.00 1xxs h LYS 115 N 7.90 0.00 0.00 0.43 1.57 -1.98 0.26 116.57 124.75 1xxs h LYS 115 Ca -0.39 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1xxs h LYS 115 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1xxs h LYS 115 CO 0.59 0.00 -0.23 1.57 -0.57 0.00 0.00 179.45 180.81 1xxs h LYS 116 N 0.00 0.00 -0.01 3.15 2.10 -2.01 -2.65 116.57 117.14 1xxs h LYS 116 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1xxs h LYS 116 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1xxs h LYS 116 CO -0.00 0.23 -0.11 0.66 -2.00 0.00 0.00 179.45 178.23 1xxs n TYR 117 N -4.01 0.00 -0.11 0.07 4.01 0.91 -4.56 117.16 113.47 1xxs n TYR 117 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 1xxs n TYR 117 Cb 0.30 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.26 1xxs n TYR 117 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1xxs h ARG 118 N 1.82 0.48 -2.82 -0.72 2.43 -1.52 0.14 114.38 114.19 1xxs h ARG 118 Ca 0.00 -0.07 -0.68 0.00 -0.81 0.00 0.00 59.98 58.42 1xxs h ARG 118 Cb 0.50 -0.09 -0.37 0.00 -0.42 0.00 0.00 29.97 29.59 1xxs h ARG 118 CO 0.00 0.44 -0.12 0.66 -1.51 0.00 0.00 179.97 179.44 1xxs n TYR 119 N -4.75 3.53 -2.73 2.20 4.01 -1.26 -2.98 117.16 115.19 1xxs n TYR 119 Ca -0.01 -3.83 -0.43 0.00 -0.16 0.00 0.00 57.90 53.46 1xxs n TYR 119 Cb 0.11 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.22 1xxs n TYR 119 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xxs n ASN 120 N 1.55 5.10 0.31 7.72 5.15 0.29 -4.74 115.26 130.64 1xxs n ASN 120 Ca 0.25 -2.99 0.19 0.00 -0.60 0.00 0.00 54.58 51.44 1xxs n ASN 120 Cb 0.37 -1.59 1.05 0.00 -0.53 0.00 0.00 39.78 39.09 1xxs n ASN 120 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1xxs h TYR 121 N 6.90 0.00 0.00 1.20 -1.99 -1.93 -2.60 116.97 118.55 1xxs h TYR 121 Ca 0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.09 1xxs h TYR 121 Cb 0.82 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.55 1xxs h TYR 121 CO 1.20 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.64 1xxs n LEU 122 N -3.44 0.88 -0.25 3.88 4.32 -1.26 -4.46 117.00 116.67 1xxs n LEU 122 Ca -0.03 -0.44 0.04 0.00 -0.02 0.00 0.00 56.01 55.56 1xxs n LEU 122 Cb 0.11 -0.44 0.16 0.00 -1.62 0.00 0.00 43.42 41.64 1xxs n LEU 122 CO 0.23 0.22 1.02 0.11 -1.22 0.00 0.00 177.39 177.75 1xxs h LYS 123 N 0.10 0.45 0.00 3.23 1.57 -1.77 0.81 116.57 120.95 1xxs h LYS 123 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xxs h LYS 123 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xxs h LYS 123 CO 0.00 0.30 0.15 -1.35 -0.57 0.00 0.00 179.45 177.97 1xxs h PRO 125 N 0.46 0.00 -0.57 3.15 0.11 -1.90 0.31 132.00 133.57 1xxs h PRO 125 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1xxs h PRO 125 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1xxs h PRO 125 CO -0.37 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.42 1xxs n ALA 126 N -1.74 2.54 -1.77 -0.75 0.00 0.28 -4.93 120.51 114.14 1xxs n ALA 126 Ca -0.01 -1.02 -0.39 0.00 0.00 0.00 0.00 53.44 52.01 1xxs n ALA 126 Cb 0.18 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 1xxs n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxs s LYS 128 N -1.94 3.88 0.37 0.00 2.36 -1.26 -4.81 119.74 118.34 1xxs s LYS 128 Ca 0.51 2.47 -0.27 0.00 -2.55 0.00 0.00 55.97 56.13 1xxs s LYS 128 Cb -0.29 -2.80 -0.11 0.00 -1.05 0.00 0.00 37.83 33.58 1xxs s LYS 128 CO 0.37 -0.68 1.32 1.17 1.55 0.00 0.00 175.35 179.09 1xxs n LYS 129 N 0.10 2.18 -2.37 4.03 4.81 -1.26 -0.47 118.16 125.18 1xxs n LYS 129 Ca 0.03 0.77 -0.37 0.00 -0.87 0.00 0.00 58.31 57.87 1xxs n LYS 129 Cb 0.41 -2.41 -0.02 0.00 0.02 0.00 0.00 35.03 33.03 1xxs n LYS 129 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xxs s ALA 130 N -1.13 3.03 0.78 3.14 0.00 -1.26 -4.08 121.76 122.25 1xxs s ALA 130 Ca 0.57 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 1xxs s ALA 130 Cb -0.53 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.31 1xxs s ALA 130 CO 0.61 -0.47 1.08 -0.51 0.00 0.00 0.00 175.76 176.48 1xxs s ASP 131 N -1.43 4.51 0.66 0.00 1.01 -1.26 -4.99 116.67 115.17 1xxs s ASP 131 Ca 0.61 1.63 -0.17 0.00 0.71 0.00 0.00 52.55 55.32 1xxs s ASP 131 Cb -0.26 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 1xxs s ASP 131 CO 0.32 -2.00 1.25 -2.84 0.21 0.00 0.00 175.17 172.10 1xxs s PRO 132 N -4.98 2.52 0.00 8.23 0.02 -1.26 -5.08 135.00 134.45 1xxs s PRO 132 Ca 0.61 1.91 0.10 0.00 0.02 0.00 0.00 61.00 63.65 1xxs s PRO 132 Cb -0.16 -1.86 0.62 0.00 0.02 0.00 0.00 34.50 33.12 1xxs s PRO 132 CO 0.56 -1.58 1.06 0.00 -0.33 0.00 0.00 177.00 176.71