#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkg s VAL 15 N 0.00 4.80 0.21 2.52 1.01 -1.26 -4.99 120.40 122.69 1mkg s VAL 15 Ca 0.00 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 1mkg s VAL 15 Cb 0.00 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1mkg s VAL 15 CO 0.00 0.12 1.30 -0.54 0.00 0.00 0.00 175.10 175.98 1mkg s LYS 16 N 1.29 4.39 0.17 2.72 1.02 -1.26 -4.83 119.74 123.24 1mkg s LYS 16 Ca 0.51 2.06 -0.09 0.00 0.02 0.00 0.00 55.97 58.47 1mkg s LYS 16 Cb -0.21 -3.18 0.22 0.00 -0.52 0.00 0.00 37.83 34.14 1mkg s LYS 16 CO 0.25 -0.23 1.04 0.34 -0.92 0.00 0.00 175.35 175.84 1mkg n PHE 17 N 2.43 0.11 0.20 3.18 7.35 -1.26 0.03 117.46 129.50 1mkg n PHE 17 Ca 0.05 0.82 0.04 0.00 -0.76 0.00 0.00 57.45 57.61 1mkg n PHE 17 Cb 0.43 -0.81 0.43 0.00 0.35 0.00 0.00 39.48 39.88 1mkg n PHE 17 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 1mkg h MET 18 N 0.00 0.00 -0.15 -4.13 4.05 -1.99 -0.26 114.93 112.46 1mkg h MET 18 Ca 0.27 -0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.50 1mkg h MET 18 Cb 0.44 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1mkg h MET 18 CO -0.68 0.28 -0.64 -0.44 0.23 0.00 0.00 176.91 175.67 1mkg h ASP 19 N 0.00 0.82 -0.43 1.39 3.32 -0.77 -2.22 116.42 118.54 1mkg h ASP 19 Ca -0.00 -0.62 -0.06 0.00 0.02 0.00 0.00 57.03 56.37 1mkg h ASP 19 Cb 0.49 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1mkg h ASP 19 CO 0.04 1.31 0.04 0.58 -1.72 0.00 0.00 179.24 179.49 1mkg h VAL 20 N 0.40 1.25 -0.17 -1.35 2.07 -1.11 -0.75 116.25 116.59 1mkg h VAL 20 Ca -0.04 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1mkg h VAL 20 Cb 1.27 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1mkg h VAL 20 CO 0.13 0.33 -0.01 0.22 0.02 0.00 0.00 177.57 178.26 1mkg h TYR 21 N 0.59 -0.03 0.00 1.57 3.20 -1.05 -2.32 116.97 118.93 1mkg h TYR 21 Ca 0.13 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1mkg h TYR 21 Cb 0.42 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1mkg h TYR 21 CO 0.03 -0.04 -0.26 1.96 -1.64 0.00 0.00 178.16 178.22 1mkg h GLN 22 N 0.04 0.00 0.00 1.82 4.20 -1.35 -3.06 115.11 116.76 1mkg h GLN 22 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1mkg h GLN 22 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1mkg h GLN 22 CO -0.15 0.24 -0.03 0.00 -0.67 0.00 0.00 178.83 178.22 1mkg h ARG 23 N 0.00 0.00 -0.12 1.46 3.08 -0.85 -3.26 114.38 114.69 1mkg h ARG 23 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mkg h ARG 23 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1mkg h ARG 23 CO 0.03 0.03 0.00 -1.13 -1.07 0.00 0.00 179.97 177.84 1mkg n SER 24 N -3.13 2.24 -4.74 7.04 3.41 -0.90 -4.98 113.62 112.57 1mkg n SER 24 Ca 0.01 -1.63 -0.41 0.00 -0.26 0.00 0.00 58.87 56.58 1mkg n SER 24 Cb 0.39 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1mkg n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1mkg s TYR 25 N -0.94 3.59 -0.03 7.33 6.14 -1.16 -1.54 117.35 130.73 1mkg s TYR 25 Ca 0.16 1.59 -0.03 0.00 0.64 0.00 0.00 57.07 59.42 1mkg s TYR 25 Cb 0.10 -3.28 -0.01 0.00 0.42 0.00 0.00 41.96 39.18 1mkg s TYR 25 CO 0.14 -0.63 0.11 0.00 0.64 0.00 0.00 175.55 175.82 1mkg s HIS 27 N 0.20 -0.14 0.11 0.00 -3.43 -0.79 -4.75 115.29 106.49 1mkg s HIS 27 Ca 0.08 0.10 -0.31 0.00 -0.80 0.00 0.00 55.06 54.13 1mkg s HIS 27 Cb -0.11 0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 31.47 1mkg s HIS 27 CO 0.06 -0.22 1.52 -2.14 -2.00 0.00 0.00 174.74 171.96 1mkg s PRO 28 N -2.36 4.25 0.02 -0.38 0.02 -1.26 -1.65 135.00 133.63 1mkg s PRO 28 Ca 0.09 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.36 1mkg s PRO 28 Cb -0.01 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 31.17 1mkg s PRO 28 CO -0.05 -0.58 -0.08 -1.50 -0.33 0.00 0.00 177.00 174.46 1mkg s ILE 29 N 1.59 0.65 0.01 2.83 2.07 0.10 -4.81 121.20 123.65 1mkg s ILE 29 Ca 0.69 -0.66 -0.35 0.00 -1.41 0.00 0.00 60.65 58.92 1mkg s ILE 29 Cb -0.40 -0.61 -0.13 0.00 0.13 0.00 0.00 42.46 41.46 1mkg s ILE 29 CO 0.31 -0.03 1.71 1.21 -1.91 0.00 0.00 174.94 176.22 1mkg n GLU 30 N 2.29 2.02 -4.46 3.50 2.13 -1.26 -1.66 120.64 123.20 1mkg n GLU 30 Ca -0.17 0.74 -0.23 0.00 0.66 0.00 0.00 57.16 58.16 1mkg n GLU 30 Cb 0.56 -2.52 -0.16 0.00 0.27 0.00 0.00 31.44 29.58 1mkg n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1mkg s THR 31 N 2.50 0.95 -0.38 6.31 2.01 0.32 -4.91 115.64 122.44 1mkg s THR 31 Ca 0.87 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 62.22 1mkg s THR 31 Cb -0.73 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 70.91 1mkg s THR 31 CO 0.47 0.31 1.02 -0.76 -0.69 0.00 0.00 174.62 174.97 1mkg s LEU 32 N 0.73 3.90 -0.22 4.42 1.43 -1.26 0.29 118.68 127.96 1mkg s LEU 32 Ca -0.14 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 53.63 1mkg s LEU 32 Cb -0.15 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1mkg s LEU 32 CO 0.03 -0.95 -0.01 -0.69 0.23 0.00 0.00 176.35 174.95 1mkg s VAL 33 N 3.75 3.65 0.26 -1.59 1.01 0.42 -4.92 120.40 122.98 1mkg s VAL 33 Ca 0.43 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1mkg s VAL 33 Cb -0.11 -2.67 -0.11 0.00 0.00 0.00 0.00 36.38 33.48 1mkg s VAL 33 CO 0.20 0.40 1.64 -0.62 0.00 0.00 0.00 175.10 176.72 1mkg s ASP 34 N 1.46 6.38 0.40 3.32 2.15 -1.26 -1.20 116.67 127.92 1mkg s ASP 34 Ca 0.05 2.91 0.15 0.00 0.43 0.00 0.00 52.55 56.09 1mkg s ASP 34 Cb -0.14 -2.62 0.86 0.00 -0.30 0.00 0.00 42.92 40.71 1mkg s ASP 34 CO -0.01 -0.93 1.89 0.40 -0.17 0.00 0.00 175.17 176.35 1mkg h ILE 35 N 3.56 1.15 -0.82 4.11 2.04 -0.74 -2.62 117.51 124.18 1mkg h ILE 35 Ca -0.45 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1mkg h ILE 35 Cb 1.21 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1mkg h ILE 35 CO 0.85 0.30 0.51 -0.26 0.00 0.00 0.00 178.15 179.55 1mkg h PHE 36 N 0.00 1.06 -0.46 1.37 -1.00 -1.84 -1.68 116.94 114.39 1mkg h PHE 36 Ca -0.00 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1mkg h PHE 36 Cb 0.56 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1mkg h PHE 36 CO 0.00 0.69 0.29 0.37 -1.61 0.00 0.00 178.31 178.05 1mkg h GLN 37 N 1.12 0.63 0.00 1.51 4.15 -1.85 -2.63 115.11 118.03 1mkg h GLN 37 Ca 0.30 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 1mkg h GLN 37 Cb -0.08 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1mkg h GLN 37 CO -0.06 0.45 -0.24 0.93 -1.93 0.00 0.00 178.83 177.98 1mkg h GLU 38 N 0.62 0.00 -2.93 1.69 4.39 -1.35 -3.35 114.58 113.66 1mkg h GLU 38 Ca 0.17 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.26 1mkg h GLU 38 Cb -0.02 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.23 1mkg h GLU 38 CO -0.03 0.24 -0.72 0.71 -1.16 0.00 0.00 179.01 178.05 1mkg s TYR 39 N -4.13 2.41 0.54 4.33 1.51 -0.67 -4.97 117.35 116.36 1mkg s TYR 39 Ca -0.02 -2.76 0.19 0.00 -1.01 0.00 0.00 57.07 53.47 1mkg s TYR 39 Cb 0.13 -2.03 1.41 0.00 -0.11 0.00 0.00 41.96 41.36 1mkg s TYR 39 CO 0.66 -0.71 2.18 -1.35 -1.11 0.00 0.00 175.55 175.21 1mkg h PRO 40 N 6.06 0.00 0.00 -1.71 0.11 -1.67 -3.28 132.00 131.51 1mkg h PRO 40 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1mkg h PRO 40 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1mkg h PRO 40 CO 0.55 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.09 1mkg n ASP 41 N -4.37 0.00 -3.24 -2.05 8.00 -1.26 -4.19 116.55 109.44 1mkg n ASP 41 Ca -0.03 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1mkg n ASP 41 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1mkg n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mkg n GLU 42 N -0.45 0.00 0.03 -1.24 1.02 -1.24 -4.34 120.64 114.43 1mkg n GLU 42 Ca 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.02 1mkg n GLU 42 Cb 0.00 -1.15 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 1mkg n GLU 42 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1mkg h ILE 43 N 3.02 0.59 0.00 -3.67 1.08 -1.77 -3.29 117.51 113.48 1mkg h ILE 43 Ca 0.00 -2.14 -0.11 0.00 -0.39 0.00 0.00 64.86 62.22 1mkg h ILE 43 Cb 0.00 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1mkg h ILE 43 CO 0.24 0.33 -0.54 1.05 -0.69 0.00 0.00 178.15 178.54 1mkg h GLU 44 N 0.00 0.00 -6.97 2.37 9.09 -1.95 -3.45 114.58 113.67 1mkg h GLU 44 Ca -0.17 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.78 1mkg h GLU 44 Cb 1.65 0.00 0.22 0.00 -1.65 0.00 0.00 28.75 28.97 1mkg h GLU 44 CO 0.05 0.54 -0.36 0.66 0.05 0.00 0.00 179.01 179.95 1mkg n TYR 45 N -3.38 -1.20 -4.44 2.06 4.02 -1.24 -4.70 117.16 108.28 1mkg n TYR 45 Ca 0.01 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.90 57.66 1mkg n TYR 45 Cb 0.68 -1.68 -0.16 0.00 -0.02 0.00 0.00 39.34 38.16 1mkg n TYR 45 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1mkg s ILE 46 N -2.37 0.90 0.15 -0.72 1.01 -1.10 -4.97 121.20 114.11 1mkg s ILE 46 Ca 0.64 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 61.01 1mkg s ILE 46 Cb -0.21 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1mkg s ILE 46 CO 0.65 0.30 -0.20 -0.36 0.00 0.00 0.00 174.94 175.33 1mkg s PHE 47 N 0.59 1.90 -0.22 3.97 0.40 -1.26 -0.43 117.98 122.92 1mkg s PHE 47 Ca -0.11 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.73 1mkg s PHE 47 Cb -0.14 -0.98 0.11 0.00 0.51 0.00 0.00 43.02 42.53 1mkg s PHE 47 CO 0.02 0.32 0.42 0.15 0.70 0.00 0.00 175.22 176.83 1mkg s LYS 48 N -2.48 0.35 0.84 0.44 1.02 -0.61 -3.45 119.74 115.84 1mkg s LYS 48 Ca 0.13 0.91 -0.11 0.00 0.02 0.00 0.00 55.97 56.93 1mkg s LYS 48 Cb -0.07 0.14 0.09 0.00 -0.52 0.00 0.00 37.83 37.47 1mkg s LYS 48 CO 0.06 -0.37 1.09 -1.25 -0.92 0.00 0.00 175.35 173.96 1mkg s PRO 49 N 2.62 1.73 0.15 -1.68 0.04 -1.26 -1.20 135.00 135.40 1mkg s PRO 49 Ca 0.03 1.04 0.26 0.00 0.04 0.00 0.00 61.00 62.37 1mkg s PRO 49 Cb -0.13 -1.85 0.93 0.00 0.04 0.00 0.00 34.50 33.49 1mkg s PRO 49 CO -0.14 -1.97 1.80 -1.13 0.04 0.00 0.00 177.00 175.59 1mkg n SER 50 N -3.73 0.55 -4.09 6.66 3.41 -1.22 -4.83 113.62 110.36 1mkg n SER 50 Ca 0.08 0.56 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1mkg n SER 50 Cb 0.54 -0.71 -0.11 0.00 -0.26 0.00 0.00 64.21 63.67 1mkg n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mkg s VAL 52 N -2.43 1.91 -0.37 0.00 -7.23 -0.34 -4.88 120.40 107.04 1mkg s VAL 52 Ca -0.01 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 1mkg s VAL 52 Cb -0.03 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.09 1mkg s VAL 52 CO -0.03 -0.21 0.79 -2.16 -0.31 0.00 0.00 175.10 173.18 1mkg s PRO 53 N -2.56 3.72 0.01 4.82 0.04 -1.26 -0.44 135.00 139.34 1mkg s PRO 53 Ca 0.15 0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.53 1mkg s PRO 53 Cb -0.07 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.63 1mkg s PRO 53 CO 0.07 -0.88 -0.19 -0.51 0.04 0.00 0.00 177.00 175.52 1mkg s LEU 54 N 3.13 2.10 -0.09 -3.56 1.43 0.14 -4.88 118.68 116.96 1mkg s LEU 54 Ca 0.31 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1mkg s LEU 54 Cb -0.13 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1mkg s LEU 54 CO 0.17 0.19 1.22 -0.04 0.23 0.00 0.00 176.35 178.12 1mkg s MET 55 N -0.82 4.31 0.01 1.70 -1.94 -1.26 0.12 119.30 121.43 1mkg s MET 55 Ca 0.07 1.66 -0.00 0.00 -1.71 0.00 0.00 55.69 55.71 1mkg s MET 55 Cb -0.08 -3.62 -0.01 0.00 2.01 0.00 0.00 34.83 33.13 1mkg s MET 55 CO 0.01 -0.53 -0.02 1.03 -0.01 0.00 0.00 175.02 175.50 1mkg s ARG 56 N 2.61 0.23 0.37 2.03 1.81 -0.67 -1.46 118.95 123.87 1mkg s ARG 56 Ca 0.55 -0.44 -0.28 0.00 -1.72 0.00 0.00 55.73 53.84 1mkg s ARG 56 Cb -0.24 0.08 -0.11 0.00 -0.45 0.00 0.00 34.95 34.24 1mkg s ARG 56 CO 0.20 -0.04 1.46 0.00 -0.68 0.00 0.00 175.30 176.24 1mkg s ALA 57 N -1.08 3.57 0.30 2.13 0.00 -1.26 0.01 121.76 125.42 1mkg s ALA 57 Ca -0.12 1.53 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 1mkg s ALA 57 Cb -0.07 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1mkg s ALA 57 CO -0.01 -0.99 0.71 0.20 0.00 0.00 0.00 175.76 175.67 1mkg s GLY 58 N -0.18 0.04 0.00 0.00 0.00 -0.66 -4.83 107.32 101.69 1mkg s GLY 58 Ca 0.52 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1mkg s GLY 58 CO 0.61 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1mkg n GLY 59 N -0.47 -2.00 3.43 0.20 0.00 -1.26 -1.89 105.19 103.20 1mkg n GLY 59 Ca -0.04 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 1mkg n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mkg n ASN 62 N -1.49 -3.83 -3.66 0.00 3.02 -1.26 -4.90 115.26 103.14 1mkg n ASN 62 Ca 0.02 0.22 -0.07 0.00 -0.03 0.00 0.00 54.58 54.72 1mkg n ASN 62 Cb 0.29 -3.32 -0.09 0.00 -0.61 0.00 0.00 39.78 36.05 1mkg n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mkg s ASP 63 N -2.04 -0.41 0.66 6.41 -1.08 -1.26 -5.03 116.67 113.92 1mkg s ASP 63 Ca 0.00 1.09 0.36 0.00 -0.52 0.00 0.00 52.55 53.47 1mkg s ASP 63 Cb 0.00 1.47 1.95 0.00 -1.46 0.00 0.00 42.92 44.88 1mkg s ASP 63 CO 0.00 -0.23 2.10 -0.33 0.52 0.00 0.00 175.17 177.23 1mkg h GLU 64 N 8.08 0.00 0.00 4.34 4.39 -2.04 -1.31 114.58 128.03 1mkg h GLU 64 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1mkg h GLU 64 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1mkg h GLU 64 CO 0.13 0.00 -0.61 0.41 -1.16 0.00 0.00 179.01 177.78 1mkg n GLY 65 N -1.16 -1.25 3.65 -3.84 0.00 -1.26 -4.90 105.19 96.42 1mkg n GLY 65 Ca -0.02 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1mkg n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mkg s LEU 66 N -3.28 3.29 0.06 0.99 1.43 -0.50 0.10 118.68 120.78 1mkg s LEU 66 Ca 0.09 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1mkg s LEU 66 Cb 0.16 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1mkg s LEU 66 CO 0.73 0.15 -0.09 -1.83 0.23 0.00 0.00 176.35 175.54 1mkg s GLU 67 N -2.45 0.66 -0.43 1.70 -1.05 -0.23 -4.74 118.70 112.16 1mkg s GLU 67 Ca 0.25 -0.92 -0.23 0.00 -0.15 0.00 0.00 54.97 53.92 1mkg s GLU 67 Cb -0.11 -0.39 0.02 0.00 -0.44 0.00 0.00 34.13 33.21 1mkg s GLU 67 CO 0.17 0.06 0.77 0.00 0.95 0.00 0.00 175.26 177.21 1mkg s VAL 69 N 3.19 1.10 0.41 0.00 1.01 -1.07 -4.86 120.40 120.17 1mkg s VAL 69 Ca 0.29 -1.51 -0.25 0.00 0.00 0.00 0.00 61.98 60.52 1mkg s VAL 69 Cb -0.13 -1.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 1mkg s VAL 69 CO 0.21 -0.38 1.15 -2.16 0.00 0.00 0.00 175.10 173.91 1mkg s PRO 70 N -2.30 4.03 0.00 2.72 0.04 -1.26 -2.10 135.00 136.13 1mkg s PRO 70 Ca 0.03 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1mkg s PRO 70 Cb -0.06 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1mkg s PRO 70 CO 0.02 -0.32 0.00 0.25 0.04 0.00 0.00 177.00 176.99 1mkg n THR 71 N -0.04 0.00 -3.46 1.26 -2.24 0.23 -4.88 114.28 105.15 1mkg n THR 71 Ca 0.05 -0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.66 1mkg n THR 71 Cb 0.47 0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 69.08 1mkg n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mkg s GLU 72 N -1.97 0.22 0.19 -0.78 2.12 -1.08 -4.95 118.70 112.45 1mkg s GLU 72 Ca 0.00 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.62 1mkg s GLU 72 Cb 0.00 -1.07 0.03 0.00 0.26 0.00 0.00 34.13 33.34 1mkg s GLU 72 CO 0.00 -0.65 0.22 0.39 -0.54 0.00 0.00 175.26 174.67 1mkg n GLU 73 N 5.33 1.01 0.00 4.30 1.02 -1.26 0.19 120.64 131.23 1mkg n GLU 73 Ca -0.05 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 1mkg n GLU 73 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1mkg n GLU 73 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1mkg n SER 74 N -2.43 0.00 -4.89 1.62 3.41 -0.98 -4.71 113.62 105.64 1mkg n SER 74 Ca 0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 1mkg n SER 74 Cb 0.21 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 1mkg n SER 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1mkg s ASN 75 N 0.00 6.55 -0.03 4.04 -0.87 -1.26 -0.38 114.94 122.99 1mkg s ASN 75 Ca 0.00 0.71 0.05 0.00 -1.57 0.00 0.00 52.86 52.05 1mkg s ASN 75 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 1mkg s ASN 75 CO 0.00 0.02 -0.17 -0.51 -2.57 0.00 0.00 177.10 173.87 1mkg s ILE 76 N -1.68 1.39 -0.15 0.60 2.07 0.06 -4.91 121.20 118.57 1mkg s ILE 76 Ca 0.42 -0.72 -0.05 0.00 -1.41 0.00 0.00 60.65 58.90 1mkg s ILE 76 Cb -0.12 -1.17 -0.03 0.00 0.13 0.00 0.00 42.46 41.26 1mkg s ILE 76 CO 0.23 0.40 0.00 -0.89 -1.91 0.00 0.00 174.94 172.77 1mkg s THR 77 N -0.18 4.27 0.15 4.00 2.01 -1.26 -0.86 115.64 123.76 1mkg s THR 77 Ca 0.02 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.84 1mkg s THR 77 Cb -0.09 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1mkg s THR 77 CO 0.01 0.51 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.28 1mkg s MET 78 N 0.12 1.10 -0.40 4.92 1.00 -0.18 -4.91 119.30 120.95 1mkg s MET 78 Ca 0.01 -1.41 -0.22 0.00 0.00 0.00 0.00 55.69 54.07 1mkg s MET 78 Cb -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 34.83 33.92 1mkg s MET 78 CO 0.02 0.12 0.73 -0.65 0.00 0.00 0.00 175.02 175.25 1mkg s GLN 79 N -3.40 3.58 -0.15 2.03 -0.21 -1.26 -0.74 119.66 119.51 1mkg s GLN 79 Ca 0.15 0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.60 1mkg s GLN 79 Cb -0.00 -3.86 0.01 0.00 1.00 0.00 0.00 33.01 30.15 1mkg s GLN 79 CO 0.02 -0.92 -0.20 0.42 -2.12 0.00 0.00 175.29 172.50 1mkg s ILE 80 N 3.03 2.22 -0.52 1.08 1.09 0.13 -4.85 121.20 123.38 1mkg s ILE 80 Ca 0.28 -0.92 -0.27 0.00 -1.10 0.00 0.00 60.65 58.64 1mkg s ILE 80 Cb -0.13 -1.91 -0.01 0.00 -1.06 0.00 0.00 42.46 39.35 1mkg s ILE 80 CO 0.18 0.54 1.73 -0.04 -0.10 0.00 0.00 174.94 177.25 1mkg s MET 81 N 0.94 3.00 0.15 2.79 -1.94 -0.34 -1.74 119.30 122.15 1mkg s MET 81 Ca -0.04 0.81 0.06 0.00 -1.71 0.00 0.00 55.69 54.81 1mkg s MET 81 Cb -0.15 -4.27 -0.04 0.00 2.01 0.00 0.00 34.83 32.38 1mkg s MET 81 CO -0.04 -2.28 0.05 -0.98 -0.01 0.00 0.00 175.02 171.76 1mkg s ARG 82 N 6.26 2.63 -0.38 2.03 1.70 -1.12 -1.58 118.95 128.50 1mkg s ARG 82 Ca 0.67 -0.96 0.01 0.00 -0.47 0.00 0.00 55.73 54.99 1mkg s ARG 82 Cb -0.15 -2.51 0.12 0.00 -0.57 0.00 0.00 34.95 31.84 1mkg s ARG 82 CO 0.25 0.49 0.16 0.42 -1.08 0.00 0.00 175.30 175.54 1mkg s ILE 83 N -1.65 1.31 -0.24 4.99 1.01 0.42 -2.88 121.20 124.17 1mkg s ILE 83 Ca 0.28 -2.08 -0.29 0.00 0.00 0.00 0.00 60.65 58.56 1mkg s ILE 83 Cb -0.10 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1mkg s ILE 83 CO 0.20 -0.77 1.33 -0.54 0.00 0.00 0.00 174.94 175.16 1mkg s LYS 84 N 0.91 4.01 0.02 2.79 1.02 -1.26 -2.71 119.74 124.53 1mkg s LYS 84 Ca 0.14 1.45 -0.26 0.00 0.02 0.00 0.00 55.97 57.32 1mkg s LYS 84 Cb -0.21 -3.86 -0.13 0.00 -0.52 0.00 0.00 37.83 33.11 1mkg s LYS 84 CO -0.11 -1.00 0.66 -2.30 -0.92 0.00 0.00 175.35 171.68 1mkg n PRO 85 N 7.12 0.00 -2.08 -1.68 -0.02 -1.26 -1.67 135.00 135.40 1mkg n PRO 85 Ca 0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1mkg n PRO 85 Cb 0.46 -0.95 -0.01 0.00 -0.02 0.00 0.00 33.50 32.97 1mkg n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1mkg n HIS 86 N 0.85 -0.49 -4.07 6.00 8.25 -1.26 -5.00 115.22 119.50 1mkg n HIS 86 Ca 0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.54 1mkg n HIS 86 Cb 0.07 -2.69 -0.02 0.00 1.12 0.00 0.00 29.99 28.47 1mkg n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1mkg n GLN 87 N -2.28 0.19 -0.06 -0.41 6.02 -0.67 -5.18 117.38 114.99 1mkg n GLN 87 Ca -0.14 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 1mkg n GLN 87 Cb 0.58 0.61 0.00 0.00 1.02 0.00 0.00 30.24 32.45 1mkg n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mkg n GLY 88 N 0.07 -0.80 2.86 1.08 0.00 -1.26 -4.81 105.19 102.33 1mkg n GLY 88 Ca 0.01 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1mkg n GLY 88 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mkg n GLN 89 N -0.73 2.30 -4.41 1.61 0.00 -1.26 -4.24 117.38 110.65 1mkg n GLN 89 Ca 0.00 -4.53 -0.34 0.00 -0.00 0.00 0.00 57.00 52.13 1mkg n GLN 89 Cb 0.00 -2.32 -0.11 0.00 0.00 0.00 0.00 30.24 27.80 1mkg n GLN 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1mkg s HIS 90 N -1.72 3.06 0.69 3.69 3.76 -1.14 -4.89 115.29 118.74 1mkg s HIS 90 Ca 0.29 -0.08 -0.17 0.00 -0.15 0.00 0.00 55.06 54.96 1mkg s HIS 90 Cb -0.01 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 1mkg s HIS 90 CO -0.12 0.19 0.86 1.51 -0.85 0.00 0.00 174.74 176.33 1mkg n ILE 91 N 2.90 2.81 -3.56 0.60 0.13 -1.26 -2.79 119.36 118.19 1mkg n ILE 91 Ca -0.18 -0.41 -0.15 0.00 -1.10 0.00 0.00 62.75 60.90 1mkg n ILE 91 Cb 0.53 -1.02 -0.06 0.00 -0.84 0.00 0.00 39.64 38.25 1mkg n ILE 91 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 1mkg s GLY 92 N -1.50 -0.47 -0.23 4.50 0.00 -0.71 -4.84 107.32 104.06 1mkg s GLY 92 Ca 0.72 0.87 -0.15 0.00 0.00 0.00 0.00 44.72 46.16 1mkg s GLY 92 CO 0.51 0.56 0.39 -0.54 0.00 0.00 0.00 173.10 174.01 1mkg s GLU 93 N -1.83 4.10 0.08 2.90 2.02 -1.26 0.20 118.70 124.91 1mkg s GLU 93 Ca -0.08 0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.12 1mkg s GLU 93 Cb -0.01 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 1mkg s GLU 93 CO 0.03 -0.15 -0.21 -1.64 0.02 0.00 0.00 175.26 173.32 1mkg s MET 94 N 1.66 1.84 -0.16 1.61 -1.94 0.08 -4.92 119.30 117.47 1mkg s MET 94 Ca 0.17 -1.11 -0.07 0.00 -1.71 0.00 0.00 55.69 52.97 1mkg s MET 94 Cb -0.15 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.56 1mkg s MET 94 CO 0.09 0.51 0.08 -1.12 -0.01 0.00 0.00 175.02 174.56 1mkg s SER 95 N -1.69 5.81 0.03 3.03 0.01 -1.26 -1.01 113.70 118.62 1mkg s SER 95 Ca 0.15 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.65 1mkg s SER 95 Cb -0.10 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 1mkg s SER 95 CO 0.06 0.25 -0.18 -0.36 0.41 0.00 0.00 173.24 173.42 1mkg s PHE 96 N -0.06 1.57 -0.09 2.43 0.08 -0.04 -4.93 117.98 116.93 1mkg s PHE 96 Ca 0.07 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.47 1mkg s PHE 96 Cb -0.12 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1mkg s PHE 96 CO 0.01 0.06 1.10 -1.17 -0.10 0.00 0.00 175.22 175.11 1mkg s LEU 97 N -1.06 4.25 0.26 -0.37 2.96 -1.26 -0.76 118.68 122.71 1mkg s LEU 97 Ca 0.05 1.65 0.11 0.00 -0.22 0.00 0.00 54.13 55.72 1mkg s LEU 97 Cb -0.08 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1mkg s LEU 97 CO 0.01 -0.53 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.28 1mkg s GLN 98 N 2.21 1.88 -0.38 1.98 -0.21 0.49 -4.87 119.66 120.76 1mkg s GLN 98 Ca 0.52 -1.61 -0.06 0.00 0.02 0.00 0.00 55.36 54.23 1mkg s GLN 98 Cb -0.21 -1.92 0.07 0.00 1.00 0.00 0.00 33.01 31.95 1mkg s GLN 98 CO 0.19 0.35 0.16 -1.01 -2.12 0.00 0.00 175.29 172.86 1mkg s HIS 99 N -2.34 3.37 0.11 0.91 3.76 -0.54 -2.32 115.29 118.24 1mkg s HIS 99 Ca 0.29 -1.79 -0.09 0.00 -0.15 0.00 0.00 55.06 53.32 1mkg s HIS 99 Cb -0.06 -2.71 -0.13 0.00 1.11 0.00 0.00 32.58 30.79 1mkg s HIS 99 CO 0.16 -0.84 1.29 -0.91 -0.85 0.00 0.00 174.74 173.59 1mkg h ASN 100 N 8.20 0.77 -3.99 1.40 4.21 -0.54 -3.42 115.58 122.21 1mkg h ASN 100 Ca -0.20 -0.56 -0.22 0.00 1.21 0.00 0.00 56.30 56.53 1mkg h ASN 100 Cb 1.07 -0.23 -0.26 0.00 -1.12 0.00 0.00 38.32 37.77 1mkg h ASN 100 CO 0.66 1.35 -0.70 -0.54 -1.29 0.00 0.00 177.43 176.92 1mkg s LYS 101 N -3.48 0.08 -0.04 0.81 1.02 -0.73 -4.87 119.74 112.51 1mkg s LYS 101 Ca -0.08 -0.11 -0.04 0.00 0.02 0.00 0.00 55.97 55.76 1mkg s LYS 101 Cb 0.08 0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.43 1mkg s LYS 101 CO 0.89 -0.01 0.11 0.00 -0.92 0.00 0.00 175.35 175.42 1mkg s ALA 102 N -0.29 -0.27 0.15 5.17 0.00 -1.26 0.77 121.76 126.03 1mkg s ALA 102 Ca -0.03 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 1mkg s ALA 102 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1mkg s ALA 102 CO -0.00 -0.05 0.26 -1.83 0.00 0.00 0.00 175.76 174.13 1mkg s GLU 103 N 0.08 1.08 0.15 0.00 -1.05 -0.89 -4.42 118.70 113.66 1mkg s GLU 103 Ca -0.00 -1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 53.38 1mkg s GLU 103 Cb -0.01 0.37 -0.07 0.00 -0.44 0.00 0.00 34.13 33.97 1mkg s GLU 103 CO 0.00 -0.39 1.10 0.00 0.95 0.00 0.00 175.26 176.93 1mkg s ARG 105 N -0.11 0.60 -0.22 0.00 1.81 -0.06 -4.90 118.95 116.08 1mkg s ARG 105 Ca 0.51 -0.71 -0.40 0.00 -1.72 0.00 0.00 55.73 53.40 1mkg s ARG 105 Cb -0.29 -0.45 -0.16 0.00 -0.45 0.00 0.00 34.95 33.60 1mkg s ARG 105 CO 0.34 0.10 1.66 -2.30 -0.68 0.00 0.00 175.30 174.41 1mkg n PRO 106 N 1.67 1.10 0.00 3.54 -0.02 -1.26 -1.07 135.00 138.96 1mkg n PRO 106 Ca -0.21 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1mkg n PRO 106 Cb 0.55 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1mkg n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11