#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw s LYS 2 N 0.00 1.13 0.19 2.12 0.00 -1.26 -4.68 119.74 117.24 2kfw s LYS 2 Ca 0.00 -1.45 -0.32 0.00 0.00 0.00 0.00 55.97 54.20 2kfw s LYS 2 Cb 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 37.83 36.86 2kfw s LYS 2 CO 0.00 0.13 1.28 0.28 0.00 0.00 0.00 175.35 177.03 2kfw n VAL 3 N -0.10 0.84 -4.89 1.79 0.31 -1.26 -4.77 118.33 110.24 2kfw n VAL 3 Ca -0.11 -0.21 -0.26 0.00 -0.01 0.00 0.00 64.34 63.76 2kfw n VAL 3 Cb 0.60 -1.10 -0.15 0.00 -0.91 0.00 0.00 33.84 32.28 2kfw n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw s ALA 4 N -0.07 1.54 0.32 3.52 0.00 -1.26 -3.32 121.76 122.49 2kfw s ALA 4 Ca 0.72 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.98 2kfw s ALA 4 Cb -0.78 -0.40 0.92 0.00 0.00 0.00 0.00 23.12 22.85 2kfw s ALA 4 CO 0.50 0.37 1.65 -0.22 0.00 0.00 0.00 175.76 178.07 2kfw h LYS 5 N 5.74 0.26 -1.05 0.00 3.64 -1.94 0.93 116.57 124.15 2kfw h LYS 5 Ca -0.37 -0.02 -0.40 0.00 -1.27 0.00 0.00 60.65 58.59 2kfw h LYS 5 Cb 1.15 -0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.69 2kfw h LYS 5 CO 0.48 0.17 0.51 -0.25 -2.27 0.00 0.00 179.45 178.09 2kfw n ASP 6 N -5.14 4.22 -3.87 4.20 8.00 -1.26 -1.79 116.55 120.91 2kfw n ASP 6 Ca 0.27 -3.22 -0.29 0.00 0.71 0.00 0.00 54.79 52.27 2kfw n ASP 6 Cb 0.85 -0.80 -0.16 0.00 -0.02 0.00 0.00 41.12 40.98 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kfw s LEU 7 N -2.47 1.75 -0.12 0.64 1.02 0.32 -3.13 118.68 116.69 2kfw s LEU 7 Ca 0.43 -0.81 -0.37 0.00 0.02 0.00 0.00 54.13 53.40 2kfw s LEU 7 Cb 0.35 -0.91 -0.14 0.00 0.02 0.00 0.00 46.19 45.51 2kfw s LEU 7 CO 0.06 -0.22 1.72 0.55 0.02 0.00 0.00 176.35 178.48 2kfw n VAL 8 N 4.86 0.33 -4.00 -1.59 3.14 0.80 -3.60 118.33 118.27 2kfw n VAL 8 Ca -0.11 -0.06 -0.30 0.00 -2.96 0.00 0.00 64.34 60.90 2kfw n VAL 8 Cb 0.47 -1.42 -0.16 0.00 -1.06 0.00 0.00 33.84 31.67 2kfw n VAL 8 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2kfw s VAL 9 N 3.03 1.62 -0.51 1.55 1.01 -0.62 -1.50 120.40 124.99 2kfw s VAL 9 Ca 0.93 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2kfw s VAL 9 Cb -0.89 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 33.88 2kfw s VAL 9 CO 0.56 0.23 0.68 -0.44 0.00 0.00 0.00 175.10 176.12 2kfw s SER 10 N 1.42 6.25 -0.03 3.32 0.01 -1.20 -3.10 113.70 120.37 2kfw s SER 10 Ca 0.00 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2kfw s SER 10 Cb -0.15 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.79 2kfw s SER 10 CO -0.09 -0.94 0.01 -1.48 0.41 0.00 0.00 173.24 171.15 2kfw s LEU 11 N 2.87 1.10 0.34 2.44 0.05 -1.00 -1.32 118.68 123.15 2kfw s LEU 11 Ca 0.18 -0.01 -0.17 0.00 0.05 0.00 0.00 54.13 54.18 2kfw s LEU 11 Cb -0.18 -0.19 -0.09 0.00 -2.05 0.00 0.00 46.19 43.68 2kfw s LEU 11 CO 0.14 -0.11 0.79 0.00 -0.55 0.00 0.00 176.35 176.61 2kfw s ALA 12 N 1.09 3.26 -0.08 1.48 0.00 -1.11 -3.61 121.76 122.79 2kfw s ALA 12 Ca -0.09 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 2kfw s ALA 12 Cb -0.13 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.15 2kfw s ALA 12 CO -0.02 0.28 0.33 1.52 0.00 0.00 0.00 175.76 177.88 2kfw s TYR 13 N -1.98 -0.30 0.00 0.00 1.13 -1.26 -1.14 117.35 113.80 2kfw s TYR 13 Ca 0.55 0.66 0.03 0.00 -1.41 0.00 0.00 57.07 56.90 2kfw s TYR 13 Cb -0.11 0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 2kfw s TYR 13 CO 0.17 -0.27 -0.04 -0.65 -2.51 0.00 0.00 175.55 172.25 2kfw s GLN 14 N -0.44 2.63 -0.40 -3.49 1.11 -1.04 -2.11 119.66 115.91 2kfw s GLN 14 Ca -0.06 -0.69 -0.03 0.00 0.01 0.00 0.00 55.36 54.60 2kfw s GLN 14 Cb -0.04 -2.56 0.10 0.00 -1.01 0.00 0.00 33.01 29.51 2kfw s GLN 14 CO 0.02 0.61 0.19 0.08 0.01 0.00 0.00 175.29 176.20 2kfw s VAL 15 N -1.03 3.31 -0.12 1.09 1.01 0.43 -2.27 120.40 122.81 2kfw s VAL 15 Ca 0.18 -1.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.15 2kfw s VAL 15 Cb -0.11 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2kfw s VAL 15 CO 0.09 -0.63 0.02 -0.13 0.00 0.00 0.00 175.10 174.44 2kfw s ARG 16 N 1.16 3.37 0.10 2.72 0.52 0.27 0.28 118.95 127.37 2kfw s ARG 16 Ca 0.07 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 2kfw s ARG 16 Cb -0.23 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 2kfw s ARG 16 CO -0.04 0.52 0.22 0.95 0.02 0.00 0.00 175.30 176.98 2kfw s THR 17 N -0.37 5.26 0.55 0.02 -4.23 0.14 -2.50 115.64 114.51 2kfw s THR 17 Ca 0.08 -0.55 0.49 0.00 -1.18 0.00 0.00 61.69 60.53 2kfw s THR 17 Cb -0.12 -3.62 0.73 0.00 1.34 0.00 0.00 72.50 70.83 2kfw s THR 17 CO 0.02 0.05 1.57 -0.08 -0.54 0.00 0.00 174.62 175.64 2kfw h GLU 18 N 2.76 0.00 0.00 3.99 4.22 -1.90 1.85 114.58 125.49 2kfw h GLU 18 Ca -0.46 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2kfw h GLU 18 Cb 1.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kfw h GLU 18 CO 0.72 0.00 0.03 -3.47 -2.18 0.00 0.00 179.01 174.12 2kfw n ASP 19 N -4.00 0.20 0.00 1.04 2.03 -1.26 -4.76 116.55 109.80 2kfw n ASP 19 Ca 0.45 0.57 0.00 0.00 0.52 0.00 0.00 54.79 56.33 2kfw n ASP 19 Cb 2.00 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 41.80 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfw n GLY 20 N -1.40 0.65 3.37 0.27 0.00 0.63 -5.06 105.19 103.65 2kfw n GLY 20 Ca -0.01 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 2kfw n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfw s VAL 21 N -2.00 2.14 -0.36 1.61 -7.23 -1.18 -4.92 120.40 108.45 2kfw s VAL 21 Ca 0.00 -1.81 -0.18 0.00 -1.81 0.00 0.00 61.98 58.18 2kfw s VAL 21 Cb 0.00 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2kfw s VAL 21 CO 0.00 -0.03 0.52 -0.22 -0.31 0.00 0.00 175.10 175.06 2kfw s LEU 22 N -2.25 4.40 0.05 1.32 0.20 -1.26 -0.69 118.68 120.46 2kfw s LEU 22 Ca 0.15 -0.11 -0.16 0.00 0.69 0.00 0.00 54.13 54.70 2kfw s LEU 22 Cb -0.09 -2.59 -0.24 0.00 -0.43 0.00 0.00 46.19 42.84 2kfw s LEU 22 CO 0.07 -0.52 1.16 0.58 -0.29 0.00 0.00 176.35 177.34 2kfw h VAL 23 N 5.65 1.32 -2.68 1.68 2.07 0.36 -3.47 116.25 121.17 2kfw h VAL 23 Ca -0.27 -2.23 -0.10 0.00 0.82 0.00 0.00 66.70 64.92 2kfw h VAL 23 Cb 1.12 2.47 -0.20 0.00 -1.52 0.00 0.00 31.29 33.16 2kfw h VAL 23 CO 0.79 0.68 -0.11 -0.62 0.02 0.00 0.00 177.57 178.32 2kfw s ASP 24 N -7.17 -0.35 -0.09 0.57 2.15 -1.20 -4.95 116.67 105.63 2kfw s ASP 24 Ca -0.11 0.30 -0.12 0.00 0.43 0.00 0.00 52.55 53.05 2kfw s ASP 24 Cb 0.06 0.39 0.03 0.00 -0.30 0.00 0.00 42.92 43.10 2kfw s ASP 24 CO 0.90 -0.50 0.32 -1.83 -0.17 0.00 0.00 175.17 173.89 2kfw s GLU 25 N -1.29 0.47 0.01 4.34 -1.05 -1.26 0.16 118.70 120.09 2kfw s GLU 25 Ca -0.13 0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 54.79 2kfw s GLU 25 Cb -0.03 0.22 -0.06 0.00 -0.44 0.00 0.00 34.13 33.82 2kfw s GLU 25 CO 0.06 -0.09 0.41 0.45 0.95 0.00 0.00 175.26 177.04 2kfw s SER 26 N -0.31 6.81 0.00 0.83 0.15 -0.90 -4.95 113.70 115.33 2kfw s SER 26 Ca -0.04 0.96 -0.30 0.00 0.70 0.00 0.00 55.95 57.26 2kfw s SER 26 Cb -0.03 -2.25 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 2kfw s SER 26 CO 0.02 0.32 1.31 -2.16 1.20 0.00 0.00 173.24 173.92 2kfw s PRO 27 N -1.12 4.33 0.40 5.44 0.04 -1.25 -4.66 135.00 138.16 2kfw s PRO 27 Ca 0.24 1.85 0.13 0.00 0.04 0.00 0.00 61.00 63.27 2kfw s PRO 27 Cb -0.17 -3.51 0.96 0.00 0.04 0.00 0.00 34.50 31.82 2kfw s PRO 27 CO 0.14 -0.48 1.89 0.28 0.04 0.00 0.00 177.00 178.87 2kfw h VAL 28 N 4.84 0.79 0.00 -0.36 2.07 -2.01 0.62 116.25 122.20 2kfw h VAL 28 Ca -0.38 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kfw h VAL 28 Cb 1.18 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2kfw h VAL 28 CO 0.88 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 177.37 2kfw n SER 29 N -4.52 0.00 -3.40 0.57 7.64 -1.26 -4.22 113.62 108.43 2kfw n SER 29 Ca 0.16 0.13 -0.23 0.00 1.01 0.00 0.00 58.87 59.94 2kfw n SER 29 Cb 0.53 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kfw s ALA 30 N -2.68 0.37 0.05 -0.43 0.00 0.22 -5.11 121.76 114.17 2kfw s ALA 30 Ca 0.17 -1.55 -0.31 0.00 0.00 0.00 0.00 51.96 50.27 2kfw s ALA 30 Cb 0.13 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 2kfw s ALA 30 CO 0.32 -2.12 1.26 -1.25 0.00 0.00 0.00 175.76 173.97 2kfw s PRO 31 N 1.09 4.38 -0.54 0.00 0.04 -1.23 -3.95 135.00 134.78 2kfw s PRO 31 Ca 0.20 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2kfw s PRO 31 Cb -0.17 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.91 2kfw s PRO 31 CO -0.03 -0.36 2.38 -1.17 0.04 0.00 0.00 177.00 177.86 2kfw s LEU 32 N 1.41 3.32 -0.20 -3.56 1.98 -1.24 -4.52 118.68 115.88 2kfw s LEU 32 Ca 0.60 0.88 -0.15 0.00 -2.89 0.00 0.00 54.13 52.57 2kfw s LEU 32 Cb -0.30 -2.51 -0.04 0.00 0.66 0.00 0.00 46.19 44.00 2kfw s LEU 32 CO 0.28 -3.00 0.36 1.51 -1.89 0.00 0.00 176.35 173.60 2kfw s ASP 33 N 11.79 6.40 0.23 3.68 -4.77 -1.26 -2.38 116.67 130.35 2kfw s ASP 33 Ca 0.95 0.47 -0.22 0.00 -3.30 0.00 0.00 52.55 50.45 2kfw s ASP 33 Cb -0.16 -2.21 0.04 0.00 -1.09 0.00 0.00 42.92 39.50 2kfw s ASP 33 CO 0.23 -0.04 0.77 -0.72 0.70 0.00 0.00 175.17 176.10 2kfw s TYR 34 N 1.18 -0.22 -0.07 2.11 -0.85 -1.18 -4.87 117.35 113.45 2kfw s TYR 34 Ca 0.17 -0.16 -0.30 0.00 -0.52 0.00 0.00 57.07 56.26 2kfw s TYR 34 Cb -0.14 0.67 -0.05 0.00 0.38 0.00 0.00 41.96 42.82 2kfw s TYR 34 CO 0.07 -1.08 1.64 -1.17 -1.52 0.00 0.00 175.55 173.49 2kfw s LEU 35 N -2.89 4.29 0.62 -3.49 2.96 -1.26 -1.58 118.68 117.33 2kfw s LEU 35 Ca 0.10 2.18 -0.19 0.00 -0.22 0.00 0.00 54.13 56.00 2kfw s LEU 35 Cb -0.04 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2kfw s LEU 35 CO 0.03 -0.94 1.32 -2.28 -1.32 0.00 0.00 176.35 173.16 2kfw s HIS 36 N 4.09 2.13 -0.66 5.38 5.65 -0.74 -1.62 115.29 129.53 2kfw s HIS 36 Ca 0.73 1.45 0.00 0.00 0.25 0.00 0.00 55.06 57.49 2kfw s HIS 36 Cb -0.32 -3.73 0.00 0.00 -1.18 0.00 0.00 32.58 27.34 2kfw s HIS 36 CO 0.29 -2.93 0.00 0.41 -0.65 0.00 0.00 174.74 171.86 2kfw n GLY 37 N 0.85 0.26 2.68 1.59 0.00 -1.26 -4.09 105.19 105.22 2kfw n GLY 37 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2kfw n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 38 N -1.81 2.05 -0.37 1.61 4.02 -0.64 -4.83 115.29 115.32 2kfw s HIS 38 Ca 0.00 -2.52 0.00 0.00 1.02 0.00 0.00 55.06 53.56 2kfw s HIS 38 Cb 0.00 -1.83 0.00 0.00 -1.02 0.00 0.00 32.58 29.73 2kfw s HIS 38 CO 0.00 -0.75 0.00 0.41 1.02 0.00 0.00 174.74 175.42 2kfw n GLY 39 N 3.21 -0.20 0.00 -2.22 0.00 -1.26 -4.49 105.19 100.22 2kfw n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfw n SER 40 N -0.88 0.00 0.00 1.61 3.41 -1.25 -4.98 113.62 111.53 2kfw n SER 40 Ca -0.04 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2kfw n SER 40 Cb 0.40 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kfw n LEU 41 N -2.01 0.00 -4.87 1.04 4.32 -1.26 -5.07 117.00 109.14 2kfw n LEU 41 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.65 2kfw n LEU 41 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 2kfw n LEU 41 CO 0.00 0.00 0.09 0.27 -1.22 0.00 0.00 177.39 176.53 2kfw s ILE 42 N 1.68 5.07 0.19 -0.08 -4.36 -1.26 -4.96 121.20 117.48 2kfw s ILE 42 Ca 0.00 0.42 -0.10 0.00 -0.26 0.00 0.00 60.65 60.71 2kfw s ILE 42 Cb 0.00 -3.65 0.11 0.00 1.25 0.00 0.00 42.46 40.17 2kfw s ILE 42 CO 0.00 0.22 1.75 -1.28 0.24 0.00 0.00 174.94 175.87 2kfw h SER 43 N 3.49 0.96 -1.16 4.36 0.87 -1.99 -2.09 113.55 117.97 2kfw h SER 43 Ca -0.48 -0.18 0.33 0.00 -1.23 0.00 0.00 61.79 60.22 2kfw h SER 43 Cb 1.19 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 2kfw h SER 43 CO 0.67 0.88 0.80 1.23 -0.53 0.00 0.00 176.83 179.88 2kfw h GLY 44 N 0.98 0.47 1.23 5.77 0.00 -1.95 0.39 103.07 109.96 2kfw h GLY 44 Ca 0.23 -0.07 -0.28 0.00 0.00 0.00 0.00 47.33 47.20 2kfw h GLY 44 CO -0.02 -0.07 -1.54 -2.00 0.00 0.00 0.00 176.54 172.91 2kfw h LEU 45 N 0.13 0.10 -1.04 3.11 5.85 -1.65 -3.34 115.31 118.46 2kfw h LEU 45 Ca 0.60 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 2kfw h LEU 45 Cb 2.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 43.03 2kfw h LEU 45 CO -0.13 1.14 0.26 -0.33 -0.34 0.00 0.00 178.44 179.05 2kfw h GLU 46 N 0.02 0.94 -0.94 1.25 5.08 0.22 -1.38 114.58 119.77 2kfw h GLU 46 Ca -0.23 -0.15 0.21 0.00 -1.00 0.00 0.00 59.36 58.19 2kfw h GLU 46 Cb 1.96 -0.16 -0.12 0.00 0.50 0.00 0.00 28.75 30.93 2kfw h GLU 46 CO 0.11 0.77 0.50 0.00 -1.00 0.00 0.00 179.01 179.38 2kfw h THR 47 N 0.93 0.58 0.20 1.13 1.03 -1.42 1.39 112.91 116.75 2kfw h THR 47 Ca 0.22 -0.19 -0.35 0.00 -0.01 0.00 0.00 66.41 66.08 2kfw h THR 47 Cb 0.18 -0.03 0.01 0.00 -1.07 0.00 0.00 68.15 67.25 2kfw h THR 47 CO -0.02 0.10 -1.70 0.00 -0.01 0.00 0.00 175.52 173.89 2kfw h ALA 48 N 1.68 0.10 -0.44 0.00 0.00 -1.65 -3.35 119.26 115.59 2kfw h ALA 48 Ca 0.57 -1.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2kfw h ALA 48 Cb 1.00 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2kfw h ALA 48 CO -0.46 0.97 -0.21 1.25 0.00 0.00 0.00 179.25 180.81 2kfw h LEU 49 N 0.11 0.94 -9.99 0.00 5.85 -0.30 -3.39 115.31 108.53 2kfw h LEU 49 Ca -0.33 -0.40 -0.55 0.00 0.84 0.00 0.00 57.88 57.44 2kfw h LEU 49 Cb 2.11 -0.26 0.13 0.00 0.37 0.00 0.00 40.66 43.01 2kfw h LEU 49 CO 0.20 1.13 0.65 1.21 -0.34 0.00 0.00 178.44 181.29 2kfw n GLU 50 N -4.18 2.03 -4.06 1.25 2.13 0.47 -2.62 120.64 115.66 2kfw n GLU 50 Ca -0.01 0.73 -0.33 0.00 0.66 0.00 0.00 57.16 58.21 2kfw n GLU 50 Cb 0.44 -2.59 -0.03 0.00 0.27 0.00 0.00 31.44 29.53 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfw n GLY 51 N 0.66 -0.44 0.00 8.31 0.00 -1.21 -4.90 105.19 107.61 2kfw n GLY 51 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2kfw n GLY 51 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 52 N -4.59 0.00 -3.72 1.61 -0.00 -1.08 -4.97 115.22 102.48 2kfw n HIS 52 Ca -0.24 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.78 2kfw n HIS 52 Cb 0.65 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.36 2kfw n HIS 52 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2kfw s GLU 53 N 3.64 0.01 -0.20 1.57 2.56 -1.26 -4.83 118.70 120.20 2kfw s GLU 53 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 54.97 55.05 2kfw s GLU 53 Cb 0.00 -0.28 -0.00 0.00 2.00 0.00 0.00 34.13 35.85 2kfw s GLU 53 CO 0.00 -0.23 1.14 0.08 -0.56 0.00 0.00 175.26 175.69 2kfw s VAL 54 N 1.58 4.50 0.00 3.70 1.01 -1.26 -3.04 120.40 126.89 2kfw s VAL 54 Ca -0.04 1.81 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2kfw s VAL 54 Cb -0.12 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2kfw s VAL 54 CO -0.05 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.51 2kfw n GLY 55 N 3.44 0.89 3.74 4.51 0.00 0.71 -4.90 105.19 113.57 2kfw n GLY 55 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2kfw n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kfw s ASP 56 N -1.72 4.23 -0.05 1.61 -4.77 -1.17 -4.94 116.67 109.86 2kfw s ASP 56 Ca 0.00 -1.33 0.04 0.00 -3.30 0.00 0.00 52.55 47.96 2kfw s ASP 56 Cb 0.00 -0.07 -0.00 0.00 -1.09 0.00 0.00 42.92 41.76 2kfw s ASP 56 CO 0.00 -0.68 -0.18 -1.59 0.70 0.00 0.00 175.17 173.42 2kfw s LYS 57 N -3.90 2.02 0.10 2.11 -2.85 -1.26 -2.70 119.74 113.26 2kfw s LYS 57 Ca 0.29 -0.66 0.08 0.00 -1.00 0.00 0.00 55.97 54.68 2kfw s LYS 57 Cb 0.04 -1.70 -0.03 0.00 -2.06 0.00 0.00 37.83 34.08 2kfw s LYS 57 CO 0.16 0.23 -0.20 0.12 0.10 0.00 0.00 175.35 175.76 2kfw s PHE 58 N 0.12 1.73 -0.18 1.78 2.19 0.37 -4.91 117.98 119.08 2kfw s PHE 58 Ca -0.07 -0.42 -0.04 0.00 0.33 0.00 0.00 56.93 56.74 2kfw s PHE 58 Cb -0.13 -0.96 -0.02 0.00 -1.31 0.00 0.00 43.02 40.60 2kfw s PHE 58 CO 0.03 0.18 -0.04 -0.51 1.83 0.00 0.00 175.22 176.72 2kfw s ASP 59 N -1.85 4.57 -0.04 6.13 1.01 -1.26 -0.77 116.67 124.46 2kfw s ASP 59 Ca 0.06 -0.24 0.05 0.00 0.71 0.00 0.00 52.55 53.13 2kfw s ASP 59 Cb -0.10 -1.76 -0.01 0.00 1.01 0.00 0.00 42.92 42.07 2kfw s ASP 59 CO 0.04 0.09 -0.20 -0.69 0.21 0.00 0.00 175.17 174.63 2kfw s VAL 60 N 0.80 1.61 -0.39 -1.27 1.01 -1.13 -5.03 120.40 116.01 2kfw s VAL 60 Ca -0.01 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2kfw s VAL 60 Cb -0.15 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2kfw s VAL 60 CO 0.02 0.46 0.56 0.00 0.00 0.00 0.00 175.10 176.13 2kfw s ALA 61 N -0.09 3.42 -0.30 5.51 0.00 -1.26 -3.27 121.76 125.77 2kfw s ALA 61 Ca -0.02 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 2kfw s ALA 61 Cb -0.12 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 20.02 2kfw s ALA 61 CO 0.02 -1.50 0.73 0.08 0.00 0.00 0.00 175.76 175.09 2kfw s VAL 62 N 2.53 -0.85 0.00 0.00 1.01 0.12 -4.92 120.40 118.30 2kfw s VAL 62 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2kfw s VAL 62 Cb -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2kfw s VAL 62 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2kfw n GLY 63 N 5.37 0.33 0.05 4.51 0.00 -1.24 -4.01 105.19 110.20 2kfw n GLY 63 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 64 N -1.50 3.07 1.13 4.61 0.00 -0.70 -0.70 120.51 126.42 2kfw n ALA 64 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.23 2kfw n ALA 64 Cb 0.00 -1.01 0.62 0.00 0.00 0.00 0.00 19.45 19.06 2kfw n ALA 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kfw n ASN 65 N -2.18 0.07 0.00 0.00 4.05 -1.26 -4.51 115.26 111.43 2kfw n ASN 65 Ca 0.01 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.26 2kfw n ASN 65 Cb 0.48 -0.36 0.00 0.00 1.23 0.00 0.00 39.78 41.12 2kfw n ASN 65 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2kfw n ASP 66 N -1.42 0.00 0.00 1.20 -0.08 -1.25 -4.99 116.55 110.01 2kfw n ASP 66 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 2kfw n ASP 66 Cb 0.31 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.77 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kfw n ALA 67 N 0.00 0.00 0.36 -1.67 0.00 0.12 -4.04 120.51 115.29 2kfw n ALA 67 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2kfw n ALA 67 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 2kfw n ALA 67 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2kfw h TYR 68 N 0.00 0.00 -4.17 0.00 0.05 -1.82 -3.46 116.97 107.57 2kfw h TYR 68 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kfw h TYR 68 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2kfw h TYR 68 CO 0.00 0.00 -0.85 0.41 -1.05 0.00 0.00 178.16 176.67 2kfw n GLY 69 N 1.18 -5.34 3.22 3.88 0.00 -0.68 -4.97 105.19 102.49 2kfw n GLY 69 Ca 0.04 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2kfw n GLY 69 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kfw s GLN 70 N -0.86 0.96 0.10 1.61 1.03 0.32 -4.87 119.66 117.95 2kfw s GLN 70 Ca 0.00 -1.10 -0.31 0.00 0.04 0.00 0.00 55.36 53.99 2kfw s GLN 70 Cb 0.00 -0.98 -0.10 0.00 0.03 0.00 0.00 33.01 31.96 2kfw s GLN 70 CO 0.00 0.21 1.88 -0.47 -2.54 0.00 0.00 175.29 174.37 2kfw s TYR 71 N -1.55 1.87 -0.08 9.60 5.04 -1.26 0.15 117.35 131.11 2kfw s TYR 71 Ca 0.04 -0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 54.48 2kfw s TYR 71 Cb -0.08 -4.21 0.03 0.00 0.35 0.00 0.00 41.96 38.05 2kfw s TYR 71 CO 0.03 -5.13 0.03 0.34 -1.34 0.00 0.00 175.55 169.48 2kfw s ASP 72 N 3.26 1.58 0.28 4.32 -1.08 -1.26 -4.70 116.67 119.07 2kfw s ASP 72 Ca 0.84 -0.12 0.05 0.00 -0.52 0.00 0.00 52.55 52.80 2kfw s ASP 72 Cb -0.45 -0.35 0.42 0.00 -1.46 0.00 0.00 42.92 41.08 2kfw s ASP 72 CO 0.38 -0.23 1.69 -0.33 0.52 0.00 0.00 175.17 177.20 2kfw h GLU 73 N 8.36 0.33 0.00 4.34 4.39 -2.01 -2.50 114.58 127.50 2kfw h GLU 73 Ca -0.17 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2kfw h GLU 73 Cb 1.12 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2kfw h GLU 73 CO 0.23 0.66 0.06 -0.91 -1.16 0.00 0.00 179.01 177.90 2kfw h ASN 74 N 0.28 0.00 0.46 1.42 4.21 -2.01 -0.55 115.58 119.38 2kfw h ASN 74 Ca 0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.54 2kfw h ASN 74 Cb 0.80 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 2kfw h ASN 74 CO 0.06 0.00 0.00 0.25 -1.29 0.00 0.00 177.43 176.45 2kfw h LEU 75 N 0.00 0.00 -9.77 1.61 7.12 -1.86 -3.43 115.31 108.98 2kfw h LEU 75 Ca 0.00 0.00 -0.52 0.00 0.13 0.00 0.00 57.88 57.49 2kfw h LEU 75 Cb 0.13 0.00 0.05 0.00 -0.53 0.00 0.00 40.66 40.31 2kfw h LEU 75 CO 0.00 0.00 0.69 -0.69 -0.13 0.00 0.00 178.44 178.31 2kfw s VAL 76 N -3.60 2.82 -0.07 1.05 1.01 -0.22 -4.62 120.40 116.78 2kfw s VAL 76 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2kfw s VAL 76 Cb 0.09 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2kfw s VAL 76 CO 0.37 0.13 -0.16 -1.58 0.00 0.00 0.00 175.10 173.86 2kfw s GLN 77 N -0.76 2.05 -0.08 2.72 2.00 -1.07 -5.04 119.66 119.49 2kfw s GLN 77 Ca 0.55 -0.56 0.03 0.00 -2.00 0.00 0.00 55.36 53.38 2kfw s GLN 77 Cb -0.40 -1.65 0.00 0.00 0.80 0.00 0.00 33.01 31.76 2kfw s GLN 77 CO 0.45 0.10 -0.18 -0.98 -0.50 0.00 0.00 175.29 174.18 2kfw s ARG 78 N 0.48 2.32 -0.23 1.67 1.70 -1.26 -1.17 118.95 122.46 2kfw s ARG 78 Ca -0.14 -0.65 -0.16 0.00 -0.47 0.00 0.00 55.73 54.31 2kfw s ARG 78 Cb -0.16 -1.83 0.07 0.00 -0.57 0.00 0.00 34.95 32.46 2kfw s ARG 78 CO 0.05 0.13 0.58 0.14 -1.08 0.00 0.00 175.30 175.12 2kfw s VAL 79 N 0.43 -0.01 0.88 4.99 -7.23 0.52 -4.98 120.40 115.00 2kfw s VAL 79 Ca -0.15 0.03 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 2kfw s VAL 79 Cb -0.16 -0.83 0.12 0.00 0.56 0.00 0.00 36.38 36.07 2kfw s VAL 79 CO 0.06 0.01 1.11 -2.16 -0.31 0.00 0.00 175.10 173.81 2kfw s PRO 80 N 1.13 1.36 0.18 4.82 0.04 -1.26 -2.98 135.00 138.29 2kfw s PRO 80 Ca -0.06 0.52 0.22 0.00 0.04 0.00 0.00 61.00 61.71 2kfw s PRO 80 Cb -0.06 -1.85 0.89 0.00 0.04 0.00 0.00 34.50 33.53 2kfw s PRO 80 CO -0.11 -2.09 1.67 1.17 0.04 0.00 0.00 177.00 177.67 2kfw n LYS 81 N -3.74 0.15 0.28 4.56 0.00 -1.26 -2.81 118.16 115.35 2kfw n LYS 81 Ca 0.07 0.34 0.15 0.00 0.00 0.00 0.00 58.31 58.87 2kfw n LYS 81 Cb 0.57 -1.76 0.91 0.00 0.00 0.00 0.00 35.03 34.75 2kfw n LYS 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2kfw h ASP 82 N 0.00 0.00 -0.01 3.14 5.19 -1.91 -0.73 116.42 122.09 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kfw h ASP 82 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2kfw h ASP 82 CO 0.00 0.00 -0.30 0.52 -3.12 0.00 0.00 179.24 176.34 2kfw n VAL 83 N -3.84 0.00 0.49 -1.35 0.31 -1.12 -4.33 118.33 108.49 2kfw n VAL 83 Ca -0.02 -0.35 0.11 0.00 -0.01 0.00 0.00 64.34 64.06 2kfw n VAL 83 Cb 0.12 1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 34.18 2kfw n VAL 83 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2kfw n PHE 84 N 0.02 0.12 0.00 3.52 3.01 -0.35 -4.96 117.46 118.82 2kfw n PHE 84 Ca 0.07 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2kfw n PHE 84 Cb 0.36 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2kfw n PHE 84 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 2kfw n MET 85 N -1.94 0.00 0.00 -1.08 1.56 -0.76 -4.46 117.12 110.43 2kfw n MET 85 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 2kfw n MET 85 Cb 0.45 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.82 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kfw n GLY 86 N 0.00 2.18 2.40 -5.12 0.00 -1.26 -5.01 105.19 98.38 2kfw n GLY 86 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 2kfw n GLY 86 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kfw n VAL 87 N 0.00 -0.07 -2.42 1.61 0.31 -1.26 -4.87 118.33 111.63 2kfw n VAL 87 Ca 0.00 -4.12 -0.21 0.00 -0.01 0.00 0.00 64.34 60.00 2kfw n VAL 87 Cb 0.00 -1.91 -0.01 0.00 -0.91 0.00 0.00 33.84 31.01 2kfw n VAL 87 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2kfw n ASP 88 N 1.90 -5.96 -1.84 4.52 8.00 -1.26 -4.32 116.55 117.59 2kfw n ASP 88 Ca 0.25 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2kfw n ASP 88 Cb 0.47 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.62 2kfw n ASP 88 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kfw n GLU 89 N -3.06 -3.92 -3.74 -1.24 2.13 -1.26 -4.97 120.64 104.59 2kfw n GLU 89 Ca -0.24 2.95 -0.37 0.00 0.66 0.00 0.00 57.16 60.16 2kfw n GLU 89 Cb 0.69 -3.39 -0.07 0.00 0.27 0.00 0.00 31.44 28.94 2kfw n GLU 89 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kfw s LEU 90 N -0.41 4.34 0.00 4.31 1.02 -1.26 -5.08 118.68 121.60 2kfw s LEU 90 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.64 2kfw s LEU 90 Cb 0.00 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 44.02 2kfw s LEU 90 CO 0.00 0.30 0.00 0.00 0.02 0.00 0.00 176.35 176.67 2kfw n GLN 91 N 2.57 0.00 -3.12 1.70 10.64 -1.26 -5.11 117.38 122.81 2kfw n GLN 91 Ca -0.17 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.63 2kfw n GLN 91 Cb 0.53 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.85 2kfw n GLN 91 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2kfw s VAL 92 N -2.12 4.58 0.00 -0.39 1.01 -1.26 -3.65 120.40 118.56 2kfw s VAL 92 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2kfw s VAL 92 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2kfw s VAL 92 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2kfw n GLY 93 N 0.90 2.66 3.81 4.51 0.00 -1.24 -5.02 105.19 110.80 2kfw n GLY 93 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2kfw n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kfw s MET 94 N -0.42 3.30 -0.17 1.61 0.00 -1.24 -4.92 119.30 117.46 2kfw s MET 94 Ca 0.00 1.17 -0.05 0.00 0.00 0.00 0.00 55.69 56.81 2kfw s MET 94 Cb 0.00 -2.03 -0.03 0.00 0.00 0.00 0.00 34.83 32.77 2kfw s MET 94 CO 0.00 -0.83 0.01 0.50 0.00 0.00 0.00 175.02 174.70 2kfw s ARG 95 N -4.18 3.81 0.35 4.11 3.52 -1.26 -2.96 118.95 122.34 2kfw s ARG 95 Ca 0.63 -0.44 0.09 0.00 -0.13 0.00 0.00 55.73 55.87 2kfw s ARG 95 Cb -0.16 -3.05 -0.07 0.00 -1.56 0.00 0.00 34.95 30.12 2kfw s ARG 95 CO 0.39 0.26 -0.07 0.12 -0.81 0.00 0.00 175.30 175.18 2kfw s PHE 96 N 0.37 2.36 -0.00 5.12 5.36 -1.12 -4.98 117.98 125.09 2kfw s PHE 96 Ca -0.01 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 55.42 2kfw s PHE 96 Cb -0.13 -1.41 -0.00 0.00 -0.34 0.00 0.00 43.02 41.14 2kfw s PHE 96 CO 0.02 0.52 -0.05 -0.48 -1.46 0.00 0.00 175.22 173.77 2kfw s LEU 97 N -3.60 2.02 -0.27 6.12 2.34 -1.26 0.16 118.68 124.18 2kfw s LEU 97 Ca 0.33 -0.11 0.02 0.00 0.06 0.00 0.00 54.13 54.43 2kfw s LEU 97 Cb 0.04 -0.26 0.07 0.00 -0.56 0.00 0.00 46.19 45.48 2kfw s LEU 97 CO 0.16 0.06 -0.02 0.00 -1.06 0.00 0.00 176.35 175.49 2kfw s ALA 98 N -0.16 2.25 -0.01 1.48 0.00 0.13 -4.85 121.76 120.60 2kfw s ALA 98 Ca 0.02 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.00 2kfw s ALA 98 Cb -0.02 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 2kfw s ALA 98 CO -0.00 -1.37 0.63 -1.21 0.00 0.00 0.00 175.76 173.81 2kfw s GLU 99 N 1.25 4.36 0.28 0.00 8.01 -1.26 -2.52 118.70 128.82 2kfw s GLU 99 Ca -0.01 0.79 0.02 0.00 0.01 0.00 0.00 54.97 55.79 2kfw s GLU 99 Cb -0.19 -3.37 -0.04 0.00 -4.31 0.00 0.00 34.13 26.22 2kfw s GLU 99 CO -0.09 0.30 0.14 0.95 0.01 0.00 0.00 175.26 176.57 2kfw s THR 100 N 0.03 0.32 0.56 3.63 -4.23 -1.03 -4.95 115.64 109.97 2kfw s THR 100 Ca 0.33 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.08 2kfw s THR 100 Cb -0.18 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.44 2kfw s THR 100 CO 0.18 0.00 2.20 0.44 -0.54 0.00 0.00 174.62 176.89 2kfw h ASP 101 N 2.31 0.00 0.37 3.99 5.19 -2.03 0.18 116.42 126.43 2kfw h ASP 101 Ca -0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 2kfw h ASP 101 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2kfw h ASP 101 CO 0.54 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.66 2kfw n GLN 102 N -4.13 0.28 0.00 3.56 6.02 -1.26 -4.95 117.38 116.90 2kfw n GLN 102 Ca -0.02 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2kfw n GLN 102 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kfw n GLY 103 N 0.38 3.38 3.72 1.08 0.00 0.63 -4.82 105.19 109.56 2kfw n GLY 103 Ca 0.09 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -2.82 4.41 -0.07 1.61 0.04 -1.26 -2.45 135.00 134.45 2kfw s PRO 104 Ca 0.00 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 2kfw s PRO 104 Cb 0.00 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.26 2kfw s PRO 104 CO 0.00 -0.28 0.06 0.08 0.04 0.00 0.00 177.00 176.90 2kfw s VAL 105 N 0.98 -0.04 0.71 -0.36 1.01 -1.05 -4.95 120.40 116.70 2kfw s VAL 105 Ca 0.60 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 2kfw s VAL 105 Cb -0.31 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.79 2kfw s VAL 105 CO 0.30 0.08 1.07 -2.16 0.00 0.00 0.00 175.10 174.40 2kfw s PRO 106 N 2.14 2.73 0.28 2.72 0.04 -1.26 -0.70 135.00 140.95 2kfw s PRO 106 Ca 0.04 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.22 2kfw s PRO 106 Cb -0.13 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2kfw s PRO 106 CO -0.05 -1.27 0.16 1.33 0.04 0.00 0.00 177.00 177.22 2kfw n VAL 107 N -3.07 0.00 -3.68 -0.36 0.24 0.42 -4.14 118.33 107.75 2kfw n VAL 107 Ca 0.08 -1.80 -0.11 0.00 -2.04 0.00 0.00 64.34 60.47 2kfw n VAL 107 Cb 0.53 0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 33.56 2kfw n VAL 107 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kfw s GLU 108 N -3.09 0.25 0.05 7.34 2.12 0.64 -2.79 118.70 123.21 2kfw s GLU 108 Ca 0.23 0.81 -0.31 0.00 0.36 0.00 0.00 54.97 56.06 2kfw s GLU 108 Cb 0.01 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 2kfw s GLU 108 CO 0.16 -0.24 1.20 -1.50 -0.54 0.00 0.00 175.26 174.34 2kfw s ILE 109 N 2.14 4.07 -0.05 -3.70 2.07 -1.16 -0.68 121.20 123.91 2kfw s ILE 109 Ca -0.03 1.48 0.06 0.00 -1.41 0.00 0.00 60.65 60.75 2kfw s ILE 109 Cb -0.11 -3.95 -0.08 0.00 0.13 0.00 0.00 42.46 38.45 2kfw s ILE 109 CO -0.10 0.10 0.05 1.07 -1.91 0.00 0.00 174.94 174.15 2kfw n THR 110 N 3.99 0.34 -3.74 4.00 5.66 -1.22 -3.60 114.28 119.71 2kfw n THR 110 Ca 0.09 -0.24 -0.14 0.00 -3.05 0.00 0.00 64.05 60.71 2kfw n THR 110 Cb 0.46 -0.60 -0.08 0.00 -1.55 0.00 0.00 70.33 68.56 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw s ALA 111 N -2.21 -0.89 -0.28 1.79 0.00 -1.26 -4.84 121.76 114.07 2kfw s ALA 111 Ca -0.03 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.42 2kfw s ALA 111 Cb 0.02 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.24 2kfw s ALA 111 CO 0.26 -0.26 0.02 0.08 0.00 0.00 0.00 175.76 175.85 2kfw s VAL 112 N -1.20 1.45 0.61 0.00 1.01 -1.26 -2.88 120.40 118.13 2kfw s VAL 112 Ca -0.12 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.26 2kfw s VAL 112 Cb -0.05 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2kfw s VAL 112 CO 0.05 -0.40 0.97 -0.70 0.00 0.00 0.00 175.10 175.01 2kfw s GLU 113 N 1.37 3.23 0.14 2.72 2.56 0.38 -4.94 118.70 124.17 2kfw s GLU 113 Ca 0.03 0.39 -0.35 0.00 0.00 0.00 0.00 54.97 55.05 2kfw s GLU 113 Cb -0.18 -2.16 -0.15 0.00 2.00 0.00 0.00 34.13 33.63 2kfw s GLU 113 CO -0.13 -0.66 1.45 -3.47 -0.56 0.00 0.00 175.26 171.90 2kfw n ASP 114 N -2.69 2.42 -4.36 -1.70 2.03 -1.26 -0.96 116.55 110.02 2kfw n ASP 114 Ca 0.05 1.10 -0.39 0.00 0.52 0.00 0.00 54.79 56.07 2kfw n ASP 114 Cb 0.56 -1.33 -0.05 0.00 -0.72 0.00 0.00 41.12 39.58 2kfw n ASP 114 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kfw n ASP 115 N 2.90 -2.67 -3.65 1.67 9.92 -1.26 -4.87 116.55 118.60 2kfw n ASP 115 Ca 0.17 -1.11 -0.01 0.00 -0.53 0.00 0.00 54.79 53.30 2kfw n ASP 115 Cb 0.25 -2.26 -0.07 0.00 -0.64 0.00 0.00 41.12 38.40 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2kfw s HIS 116 N -3.28 -0.24 0.07 1.24 2.46 -0.14 -4.63 115.29 110.78 2kfw s HIS 116 Ca 0.78 0.51 0.00 0.00 0.47 0.00 0.00 55.06 56.82 2kfw s HIS 116 Cb -0.44 0.26 -0.04 0.00 -0.13 0.00 0.00 32.58 32.23 2kfw s HIS 116 CO 0.97 -0.12 -0.05 0.14 -2.47 0.00 0.00 174.74 173.22 2kfw s VAL 117 N 0.79 0.43 0.07 0.89 -7.23 -1.16 0.14 120.40 114.34 2kfw s VAL 117 Ca -0.03 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2kfw s VAL 117 Cb -0.04 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 2kfw s VAL 117 CO -0.12 -0.90 -0.10 0.68 -0.31 0.00 0.00 175.10 174.36 2kfw s VAL 118 N -3.57 0.81 -0.05 1.32 -7.23 -1.14 -0.36 120.40 110.19 2kfw s VAL 118 Ca 0.07 -1.41 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2kfw s VAL 118 Cb 0.05 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.93 2kfw s VAL 118 CO -0.07 -0.46 0.15 0.68 -0.31 0.00 0.00 175.10 175.09 2kfw s VAL 119 N -1.96 0.01 0.35 1.32 -7.23 -0.32 -3.38 120.40 109.19 2kfw s VAL 119 Ca -0.01 -0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.20 2kfw s VAL 119 Cb -0.06 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 2kfw s VAL 119 CO 0.00 -0.02 0.24 -0.62 -0.31 0.00 0.00 175.10 174.39 2kfw s ASP 120 N -0.01 4.98 0.58 4.85 2.15 0.15 -2.59 116.67 126.78 2kfw s ASP 120 Ca -0.01 -0.66 0.09 0.00 0.43 0.00 0.00 52.55 52.39 2kfw s ASP 120 Cb -0.01 -0.80 0.09 0.00 -0.30 0.00 0.00 42.92 41.89 2kfw s ASP 120 CO 0.00 -0.38 0.80 -0.83 -0.17 0.00 0.00 175.17 174.59 2kfw s GLY 121 N -3.95 1.74 -0.54 2.66 0.00 -1.26 0.23 107.32 106.21 2kfw s GLY 121 Ca 0.41 -2.08 -0.26 0.00 0.00 0.00 0.00 44.72 42.79 2kfw s GLY 121 CO 0.25 -1.62 2.21 -1.31 0.00 0.00 0.00 173.10 172.63 2kfw s ASN 122 N -4.66 4.72 0.50 1.64 0.01 -1.26 -4.78 114.94 111.12 2kfw s ASN 122 Ca 0.62 0.80 0.37 0.00 -0.71 0.00 0.00 52.86 53.94 2kfw s ASN 122 Cb -0.06 -2.51 1.53 0.00 0.41 0.00 0.00 41.25 40.62 2kfw s ASN 122 CO 0.39 -2.71 1.68 0.45 -1.51 0.00 0.00 177.10 175.40 2kfw h HIS 123 N 17.91 0.22 -0.09 2.20 3.86 -1.98 1.24 115.15 138.50 2kfw h HIS 123 Ca -0.25 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 2kfw h HIS 123 Cb 1.23 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.64 2kfw h HIS 123 CO 0.99 -0.05 0.14 1.98 0.86 0.00 0.00 177.93 181.85 2kfw h MET 124 N 0.07 0.00 -0.64 2.45 -1.53 -2.02 -2.04 114.93 111.21 2kfw h MET 124 Ca 0.76 0.00 -0.46 0.00 -3.44 0.00 0.00 59.70 56.56 2kfw h MET 124 Cb 2.74 0.00 -0.41 0.00 -0.55 0.00 0.00 31.60 33.39 2kfw h MET 124 CO -0.16 0.00 -0.88 1.28 0.14 0.00 0.00 176.91 177.30 2kfw n LEU 125 N -3.59 4.07 -4.71 3.39 4.32 0.43 -5.01 117.00 115.90 2kfw n LEU 125 Ca -0.01 -4.31 -0.29 0.00 -0.02 0.00 0.00 56.01 51.38 2kfw n LEU 125 Cb 0.24 -0.16 0.15 0.00 -1.62 0.00 0.00 43.42 42.02 2kfw n LEU 125 CO 0.25 1.83 0.66 0.00 -1.22 0.00 0.00 177.39 178.91 2kfw s ALA 126 N -3.60 1.37 0.00 -1.18 0.00 -0.77 -4.20 121.76 113.38 2kfw s ALA 126 Ca 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2kfw s ALA 126 Cb 0.39 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2kfw s ALA 126 CO 0.02 -2.50 0.00 0.41 0.00 0.00 0.00 175.76 173.69 2kfw n GLY 127 N -1.12 0.84 3.39 0.00 0.00 0.39 -0.52 105.19 108.16 2kfw n GLY 127 Ca 0.06 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 2kfw n GLY 127 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kfw n GLN 128 N -2.17 0.42 0.00 1.61 7.27 -1.26 -1.72 117.38 121.53 2kfw n GLN 128 Ca 0.00 -1.24 0.00 0.00 0.07 0.00 0.00 57.00 55.83 2kfw n GLN 128 Cb 0.04 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.06 2kfw n GLN 128 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2kfw n ASN 129 N 8.64 0.00 -4.39 1.69 3.02 -1.26 -4.72 115.26 118.24 2kfw n ASN 129 Ca 0.48 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.70 2kfw n ASN 129 Cb 0.42 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2kfw s LEU 130 N 0.00 2.58 -0.11 3.41 2.96 -1.25 -4.42 118.68 121.84 2kfw s LEU 130 Ca 0.00 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2kfw s LEU 130 Cb 0.00 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2kfw s LEU 130 CO 0.00 0.25 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.36 2kfw s LYS 131 N -0.18 3.21 -0.08 1.98 2.20 -1.04 0.15 119.74 125.99 2kfw s LYS 131 Ca -0.01 -0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 54.73 2kfw s LYS 131 Cb -0.13 -2.49 0.03 0.00 -1.51 0.00 0.00 37.83 33.72 2kfw s LYS 131 CO 0.03 0.22 0.29 -0.59 -0.36 0.00 0.00 175.35 174.95 2kfw s PHE 132 N 0.29 -0.26 0.34 4.03 -0.12 -1.20 -0.56 117.98 120.50 2kfw s PHE 132 Ca -0.13 0.58 0.02 0.00 -0.05 0.00 0.00 56.93 57.35 2kfw s PHE 132 Cb -0.16 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 2kfw s PHE 132 CO 0.07 -0.24 0.52 1.21 -0.05 0.00 0.00 175.22 176.73 2kfw s ASN 133 N -0.40 6.21 -0.05 1.98 3.84 -0.96 -2.81 114.94 122.75 2kfw s ASN 133 Ca -0.05 0.30 -0.03 0.00 0.21 0.00 0.00 52.86 53.29 2kfw s ASN 133 Cb -0.03 -1.87 0.03 0.00 -0.55 0.00 0.00 41.25 38.82 2kfw s ASN 133 CO 0.02 -0.32 0.11 0.68 -2.79 0.00 0.00 177.10 174.80 2kfw s VAL 134 N -2.27 -0.03 -0.28 -5.21 -7.23 0.05 -2.50 120.40 102.92 2kfw s VAL 134 Ca 0.40 0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.70 2kfw s VAL 134 Cb -0.10 -0.18 0.08 0.00 0.56 0.00 0.00 36.38 36.74 2kfw s VAL 134 CO 0.35 0.04 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.48 2kfw s GLU 135 N 0.68 1.48 0.18 4.82 2.12 -0.29 -0.48 118.70 127.22 2kfw s GLU 135 Ca -0.05 -1.31 -0.30 0.00 0.36 0.00 0.00 54.97 53.67 2kfw s GLU 135 Cb -0.07 -2.70 -0.08 0.00 0.26 0.00 0.00 34.13 31.55 2kfw s GLU 135 CO -0.03 -0.77 1.03 0.54 -0.54 0.00 0.00 175.26 175.50 2kfw s VAL 136 N 1.26 4.02 -0.08 3.70 0.11 -1.10 -2.74 120.40 125.57 2kfw s VAL 136 Ca 0.02 1.81 0.07 0.00 -2.93 0.00 0.00 61.98 60.95 2kfw s VAL 136 Cb -0.19 -4.15 -0.10 0.00 -1.53 0.00 0.00 36.38 30.41 2kfw s VAL 136 CO -0.10 0.34 0.03 1.33 -3.33 0.00 0.00 175.10 173.37 2kfw n VAL 137 N 2.17 0.56 -3.74 2.04 0.24 -0.43 0.26 118.33 119.41 2kfw n VAL 137 Ca 0.01 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.34 61.88 2kfw n VAL 137 Cb 0.47 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kfw s ALA 138 N -2.20 -1.26 -0.26 2.33 0.00 -1.26 -4.48 121.76 114.62 2kfw s ALA 138 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 2kfw s ALA 138 Cb 0.02 0.87 0.15 0.00 0.00 0.00 0.00 23.12 24.16 2kfw s ALA 138 CO 0.34 -0.95 0.44 0.96 0.00 0.00 0.00 175.76 176.55 2kfw s ILE 139 N -3.88 -0.70 0.05 0.00 -4.36 -1.24 -3.28 121.20 107.80 2kfw s ILE 139 Ca 0.09 -0.09 0.05 0.00 -0.26 0.00 0.00 60.65 60.43 2kfw s ILE 139 Cb -0.04 -0.89 -0.03 0.00 1.25 0.00 0.00 42.46 42.76 2kfw s ILE 139 CO 0.01 -0.12 -0.13 -0.13 0.24 0.00 0.00 174.94 174.81 2kfw s ARG 140 N 2.62 0.81 0.86 0.37 0.52 -0.56 -4.84 118.95 118.72 2kfw s ARG 140 Ca 0.14 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 2kfw s ARG 140 Cb -0.15 -0.78 0.11 0.00 0.52 0.00 0.00 34.95 34.65 2kfw s ARG 140 CO -0.19 0.18 1.17 -2.00 0.02 0.00 0.00 175.30 174.48 2kfw s GLU 141 N -1.46 1.36 0.31 3.54 2.12 -1.26 0.28 118.70 123.59 2kfw s GLU 141 Ca -0.02 1.64 0.07 0.00 0.36 0.00 0.00 54.97 57.02 2kfw s GLU 141 Cb -0.09 -1.76 -0.03 0.00 0.26 0.00 0.00 34.13 32.51 2kfw s GLU 141 CO 0.02 -2.40 0.26 0.00 -0.54 0.00 0.00 175.26 172.60 2kfw s ALA 142 N -2.42 3.75 0.92 6.30 0.00 -1.18 -4.57 121.76 124.56 2kfw s ALA 142 Ca 0.70 -1.59 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 2kfw s ALA 142 Cb -0.25 -1.20 0.14 0.00 0.00 0.00 0.00 23.12 21.81 2kfw s ALA 142 CO 0.54 0.08 1.12 0.99 0.00 0.00 0.00 175.76 178.50 2kfw s THR 143 N -2.26 2.16 0.41 0.00 2.01 -1.26 -4.72 115.64 111.98 2kfw s THR 143 Ca 0.38 0.05 0.15 0.00 0.31 0.00 0.00 61.69 62.58 2kfw s THR 143 Cb -0.06 -2.74 0.35 0.00 0.01 0.00 0.00 72.50 70.06 2kfw s THR 143 CO 0.26 -0.07 1.89 -0.33 -0.69 0.00 0.00 174.62 175.68 2kfw h GLU 144 N -1.53 0.47 -0.08 4.92 4.39 -1.99 0.43 114.58 121.18 2kfw h GLU 144 Ca -0.51 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 58.99 2kfw h GLU 144 Cb 1.32 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2kfw h GLU 144 CO 0.61 0.31 -0.70 0.93 -1.16 0.00 0.00 179.01 179.00 2kfw h GLU 145 N 0.48 0.38 -0.02 2.33 3.07 -1.96 -2.06 114.58 116.81 2kfw h GLU 145 Ca 0.42 -0.30 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2kfw h GLU 145 Cb 0.91 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2kfw h GLU 145 CO -0.16 0.93 0.00 0.93 -1.40 0.00 0.00 179.01 179.32 2kfw h GLU 146 N 0.27 0.02 0.00 2.33 4.39 -1.11 -2.00 114.58 118.49 2kfw h GLU 146 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kfw h GLU 146 Cb 1.26 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2kfw h GLU 146 CO 0.12 0.22 0.00 1.28 -1.16 0.00 0.00 179.01 179.46 2kfw n LEU 147 N -4.98 0.00 0.01 1.33 4.77 -0.85 -0.58 117.00 116.71 2kfw n LEU 147 Ca -0.07 0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 2kfw n LEU 147 Cb 0.12 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 2kfw n LEU 147 CO 0.33 -0.16 0.38 0.00 -1.33 0.00 0.00 177.39 176.62 2kfw h ALA 148 N 2.69 -0.13 -0.00 -1.18 0.00 -0.62 -3.20 119.26 116.81 2kfw h ALA 148 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kfw h ALA 148 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kfw h ALA 148 CO 0.00 -0.21 -0.01 0.72 0.00 0.00 0.00 179.25 179.75 2kfw n HIS 149 N -4.84 0.00 0.00 0.00 8.25 -1.05 -4.86 115.22 112.72 2kfw n HIS 149 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2kfw n HIS 149 Cb 0.28 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2kfw n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 150 N 1.12 2.20 0.00 -1.41 0.00 -1.02 -4.99 105.19 101.09 2kfw n GLY 150 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2kfw n GLY 150 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 151 N -2.00 -0.93 -4.04 1.61 1.44 0.26 -4.36 115.22 107.20 2kfw n HIS 151 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 2kfw n HIS 151 Cb 0.00 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 2kfw n HIS 151 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kfw s VAL 152 N -2.98 1.98 0.00 0.61 0.11 -1.26 -4.22 120.40 114.65 2kfw s VAL 152 Ca 0.00 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.63 2kfw s VAL 152 Cb 0.00 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2kfw s VAL 152 CO 0.00 0.03 0.00 1.57 -3.33 0.00 0.00 175.10 173.37 2kfw n HIS 153 N 4.52 0.00 0.00 1.54 -0.00 -1.26 -4.95 115.22 115.07 2kfw n HIS 153 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2kfw n HIS 153 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 154 N -0.15 -1.62 7.00 1.57 0.00 -1.26 -3.97 105.19 106.75 2kfw n GLY 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 155 N -3.00 0.00 0.15 4.61 0.00 -1.25 -1.45 120.51 119.56 2kfw n ALA 155 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2kfw n ALA 155 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 2kfw n ALA 155 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kfw n HIS 156 N -0.72 0.49 -0.20 0.00 8.25 -1.26 -2.10 115.22 119.69 2kfw n HIS 156 Ca 0.00 0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.63 2kfw n HIS 156 Cb 0.00 -0.90 0.02 0.00 1.12 0.00 0.00 29.99 30.23 2kfw n HIS 156 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2kfw h ASP 157 N 0.00 0.82 -0.05 0.41 1.82 -1.66 -3.48 116.42 114.28 2kfw h ASP 157 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2kfw h ASP 157 Cb 0.04 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.83 2kfw h ASP 157 CO 0.00 0.81 0.00 1.57 -1.61 0.00 0.00 179.24 180.01 2kfw n HIS 158 N -4.43 -0.05 -3.41 0.28 -0.00 -0.53 -5.05 115.22 102.02 2kfw n HIS 158 Ca 0.03 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.99 2kfw n HIS 158 Cb 0.20 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.09 2kfw n HIS 158 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kfw n HIS 159 N 0.00 -2.66 -1.68 1.57 -0.00 -1.26 -3.86 115.22 107.33 2kfw n HIS 159 Ca 0.00 1.08 -0.39 0.00 0.46 0.00 0.00 57.72 58.87 2kfw n HIS 159 Cb 0.00 -2.93 -0.03 0.00 -0.12 0.00 0.00 29.99 26.91 2kfw n HIS 159 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kfw s HIS 160 N -2.46 1.25 0.00 1.57 3.76 -1.26 -4.58 115.29 113.57 2kfw s HIS 160 Ca 0.16 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 2kfw s HIS 160 Cb -0.02 -3.81 0.00 0.00 1.11 0.00 0.00 32.58 29.86 2kfw s HIS 160 CO 0.84 -3.05 0.00 -0.25 -0.85 0.00 0.00 174.74 171.43 2kfw n ASP 161 N 13.62 -3.29 -3.64 1.40 9.92 -1.26 -4.93 116.55 128.37 2kfw n ASP 161 Ca 0.31 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.49 2kfw n ASP 161 Cb 0.51 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.92 2kfw n ASP 161 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2kfw s HIS 162 N 0.00 -0.58 -0.85 1.24 -3.43 -1.26 -5.09 115.29 105.33 2kfw s HIS 162 Ca 0.00 1.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.58 2kfw s HIS 162 Cb 0.00 0.37 0.21 0.00 -1.43 0.00 0.00 32.58 31.73 2kfw s HIS 162 CO 0.00 -0.28 0.72 -0.25 -2.00 0.00 0.00 174.74 172.93 2kfw n ASP 163 N 2.74 3.91 -4.53 7.38 9.92 -1.26 -4.99 116.55 129.72 2kfw n ASP 163 Ca -0.14 -3.17 -0.31 0.00 -0.53 0.00 0.00 54.79 50.64 2kfw n ASP 163 Cb 0.56 -0.96 -0.10 0.00 -0.64 0.00 0.00 41.12 39.98 2kfw n ASP 163 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2kfw n HIS 164 N 2.14 0.94 -3.35 1.24 -0.00 -1.26 -1.40 115.22 113.53 2kfw n HIS 164 Ca 0.22 0.14 -0.24 0.00 0.46 0.00 0.00 57.72 58.30 2kfw n HIS 164 Cb 0.36 -2.27 0.02 0.00 -0.12 0.00 0.00 29.99 27.99 2kfw n HIS 164 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2kfw n ASP 165 N 13.63 -5.06 0.00 0.26 8.00 -1.26 -4.60 116.55 127.52 2kfw n ASP 165 Ca 0.51 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2kfw n ASP 165 Cb 0.33 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfw n GLY 166 N -1.47 0.18 1.48 0.44 0.00 -0.49 -4.95 105.19 100.37 2kfw n GLY 166 Ca -0.04 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2kfw n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 169 N -0.31 0.52 0.00 0.00 0.00 -1.26 -5.06 105.19 99.09 2kfw n GLY 169 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2kfw n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 170 N 0.00 -1.93 3.98 -0.02 0.00 -1.26 -5.15 105.19 100.82 2kfw n GLY 170 Ca 0.00 0.65 -0.24 0.00 0.00 0.00 0.00 46.02 46.43 2kfw n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 171 N 0.00 1.77 0.00 1.61 3.76 -1.26 -5.11 115.29 116.06 2kfw s HIS 171 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2kfw s HIS 171 Cb 0.00 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.64 2kfw s HIS 171 CO 0.00 -1.68 0.00 0.41 -0.85 0.00 0.00 174.74 172.62 2kfw n GLY 172 N -2.85 0.37 2.66 -2.22 0.00 -1.26 -5.05 105.19 96.84 2kfw n GLY 172 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 2kfw n GLY 172 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 173 N 0.00 -0.78 -4.29 1.61 8.25 -1.26 -5.09 115.22 113.67 2kfw n HIS 173 Ca 0.00 -2.39 -0.17 0.00 -0.26 0.00 0.00 57.72 54.90 2kfw n HIS 173 Cb 0.00 0.65 -0.09 0.00 1.12 0.00 0.00 29.99 31.67 2kfw n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kfw s ASP 174 N -2.11 1.24 0.35 0.41 1.01 -1.26 -5.18 116.67 111.14 2kfw s ASP 174 Ca 0.25 -1.58 -0.13 0.00 0.71 0.00 0.00 52.55 51.80 2kfw s ASP 174 Cb 0.42 0.44 0.05 0.00 1.01 0.00 0.00 42.92 44.85 2kfw s ASP 174 CO -0.03 -0.93 0.70 1.41 0.21 0.00 0.00 175.17 176.53 2kfw n HIS 175 N -0.52 -2.21 -1.57 4.23 8.25 -1.26 -5.12 115.22 117.03 2kfw n HIS 175 Ca 0.03 -1.69 -0.51 0.00 -0.26 0.00 0.00 57.72 55.29 2kfw n HIS 175 Cb 0.64 0.83 -0.05 0.00 1.12 0.00 0.00 29.99 32.53 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 176 N -0.48 0.11 2.73 -1.41 0.00 -1.26 -4.88 105.19 100.00 2kfw n GLY 176 Ca -0.08 0.62 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 2kfw n GLY 176 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 177 N 1.85 3.28 0.00 1.61 -0.00 -1.26 -4.99 115.22 115.71 2kfw n HIS 177 Ca 0.17 -3.47 0.00 0.00 0.46 0.00 0.00 57.72 54.88 2kfw n HIS 177 Cb 0.20 -0.81 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 2kfw n HIS 177 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2kfw n GLU 178 N 0.51 0.00 -2.20 1.57 2.13 -1.26 -4.56 120.64 116.83 2kfw n GLU 178 Ca 0.32 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.12 2kfw n GLU 178 Cb 0.36 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.06 2kfw n GLU 178 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kfw n HIS 179 N 0.00 0.01 0.00 4.31 -0.00 -1.26 -5.12 115.22 113.16 2kfw n HIS 179 Ca 0.00 -0.21 0.00 0.00 0.46 0.00 0.00 57.72 57.97 2kfw n HIS 179 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 180 N 2.05 -0.05 0.00 1.57 0.00 -1.26 -5.09 105.19 102.42 2kfw n GLY 180 Ca -0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2kfw n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 181 N -0.24 1.07 0.63 -0.02 0.00 -1.26 -4.81 105.19 100.57 2kfw n GLY 181 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.84 2kfw n GLY 181 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfw n GLU 182 N 0.00 1.55 -0.58 1.61 -0.58 -1.26 -5.06 120.64 116.33 2kfw n GLU 182 Ca 0.00 -1.27 0.00 0.00 -0.42 0.00 0.00 57.16 55.47 2kfw n GLU 182 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kfw n GLY 183 N 1.39 0.68 3.50 0.62 0.00 -1.26 -4.96 105.19 105.16 2kfw n GLY 183 Ca 0.11 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 2kfw n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 186 N 2.84 1.46 3.15 0.00 0.00 -1.26 -4.50 105.19 106.87 2kfw n GLY 186 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.18 2kfw n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 187 N 0.00 -0.73 -0.43 -0.02 0.00 -1.26 -5.10 107.32 99.78 2kfw s GLY 187 Ca 0.00 2.21 -0.32 0.00 0.00 0.00 0.00 44.72 46.61 2kfw s GLY 187 CO 0.00 3.77 2.30 0.28 0.00 0.00 0.00 173.10 179.44 2kfw n LYS 188 N 5.38 1.05 -4.07 2.90 4.76 -1.26 -4.91 118.16 122.02 2kfw n LYS 188 Ca -0.01 0.23 -0.32 0.00 -2.87 0.00 0.00 58.31 55.34 2kfw n LYS 188 Cb 0.54 -2.65 -0.16 0.00 -1.84 0.00 0.00 35.03 30.92 2kfw n LYS 188 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2kfw s GLY 189 N 8.63 1.36 0.00 0.72 0.00 -1.26 -4.96 107.32 111.82 2kfw s GLY 189 Ca 1.09 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2kfw s GLY 189 CO 0.43 0.47 0.91 1.16 0.00 0.00 0.00 173.10 176.06 2kfw n ASN 190 N 4.63 1.80 0.00 1.64 0.23 -1.26 -4.94 115.26 117.36 2kfw n ASN 190 Ca -0.18 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 2kfw n ASN 190 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kfw n GLY 191 N -0.41 -2.15 0.00 4.83 0.00 -1.26 -4.86 105.19 101.33 2kfw n GLY 191 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfw n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 192 N 0.13 -3.09 4.72 -0.02 0.00 -1.26 -4.75 105.19 100.92 2kfw n GLY 192 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2kfw n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 194 N 0.00 3.30 0.00 0.00 0.00 -1.26 -4.96 105.19 102.27 2kfw n GLY 194 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32