#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 0.88 0.20 2.12 2.20 -1.26 -3.86 119.74 120.01 2kfw s LYS 2 Ca 0.00 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.34 2kfw s LYS 2 Cb 0.00 -0.92 -0.09 0.00 -1.51 0.00 0.00 37.83 35.31 2kfw s LYS 2 CO 0.00 0.21 1.33 0.08 -0.36 0.00 0.00 175.35 176.60 2kfw s VAL 3 N -1.22 3.17 0.52 4.02 1.01 -1.26 -4.91 120.40 121.72 2kfw s VAL 3 Ca -0.00 0.95 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2kfw s VAL 3 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2kfw s VAL 3 CO 0.02 0.14 0.08 0.00 0.00 0.00 0.00 175.10 175.35 2kfw s ALA 4 N 0.17 4.22 -1.50 5.51 0.00 -1.26 -3.60 121.76 125.29 2kfw s ALA 4 Ca 0.57 -0.48 0.27 0.00 0.00 0.00 0.00 51.96 52.33 2kfw s ALA 4 Cb -0.37 -0.13 0.94 0.00 0.00 0.00 0.00 23.12 23.56 2kfw s ALA 4 CO 0.38 -0.10 1.69 0.36 0.00 0.00 0.00 175.76 178.09 2kfw n LYS 5 N -1.38 0.55 -2.20 0.00 2.85 -1.24 -3.92 118.16 112.82 2kfw n LYS 5 Ca -0.16 -0.25 -0.14 0.00 -1.05 0.00 0.00 58.31 56.71 2kfw n LYS 5 Cb 0.66 -1.49 0.04 0.00 -0.65 0.00 0.00 35.03 33.59 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2kfw n ASP 6 N -1.00 3.52 -3.90 -5.58 5.75 -1.19 -3.21 116.55 110.93 2kfw n ASP 6 Ca 0.11 -3.13 -0.14 0.00 -0.01 0.00 0.00 54.79 51.63 2kfw n ASP 6 Cb 0.32 -0.40 -0.14 0.00 -1.03 0.00 0.00 41.12 39.87 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kfw s LEU 7 N -3.54 1.92 -0.07 -2.12 1.02 -1.25 -3.58 118.68 111.06 2kfw s LEU 7 Ca 0.42 -0.04 -0.30 0.00 0.02 0.00 0.00 54.13 54.24 2kfw s LEU 7 Cb 0.38 -0.12 -0.06 0.00 0.02 0.00 0.00 46.19 46.41 2kfw s LEU 7 CO 0.00 0.01 1.72 0.68 0.02 0.00 0.00 176.35 178.79 2kfw s VAL 8 N 0.05 3.49 -0.25 -1.59 -7.23 -0.29 -2.82 120.40 111.76 2kfw s VAL 8 Ca -0.00 0.58 -0.00 0.00 -1.81 0.00 0.00 61.98 60.75 2kfw s VAL 8 Cb -0.02 -3.40 0.04 0.00 0.56 0.00 0.00 36.38 33.55 2kfw s VAL 8 CO -0.00 -0.08 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.93 2kfw s VAL 9 N 4.44 2.58 -0.53 1.32 1.01 -0.34 -2.12 120.40 126.77 2kfw s VAL 9 Ca 0.77 -1.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2kfw s VAL 9 Cb -0.34 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.73 2kfw s VAL 9 CO 0.32 0.14 0.83 -0.44 0.00 0.00 0.00 175.10 175.95 2kfw s SER 10 N 1.25 6.31 -0.04 3.32 0.01 -1.12 -3.03 113.70 120.40 2kfw s SER 10 Ca -0.02 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 2kfw s SER 10 Cb -0.17 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.70 2kfw s SER 10 CO -0.05 -1.09 0.04 -1.48 0.41 0.00 0.00 173.24 171.06 2kfw s LEU 11 N 3.47 0.44 0.60 2.44 0.05 -1.21 0.78 118.68 125.26 2kfw s LEU 11 Ca 0.26 0.03 -0.10 0.00 0.05 0.00 0.00 54.13 54.36 2kfw s LEU 11 Cb -0.15 -0.21 -0.04 0.00 -2.05 0.00 0.00 46.19 43.75 2kfw s LEU 11 CO 0.17 -0.21 0.99 0.00 -0.55 0.00 0.00 176.35 176.75 2kfw s ALA 12 N 1.90 3.15 -0.22 1.48 0.00 -1.06 -3.97 121.76 123.03 2kfw s ALA 12 Ca 0.02 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 2kfw s ALA 12 Cb -0.12 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.06 2kfw s ALA 12 CO -0.03 -0.64 0.58 1.52 0.00 0.00 0.00 175.76 177.19 2kfw s TYR 13 N -3.11 -0.68 -0.16 0.00 1.13 -1.26 -1.54 117.35 111.73 2kfw s TYR 13 Ca 0.54 1.60 -0.01 0.00 -1.41 0.00 0.00 57.07 57.79 2kfw s TYR 13 Cb -0.11 0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 41.00 2kfw s TYR 13 CO 0.52 -0.33 -0.11 1.14 -2.51 0.00 0.00 175.55 174.27 2kfw s GLN 14 N 0.49 3.36 0.06 -3.49 -2.07 -1.07 -1.97 119.66 114.97 2kfw s GLN 14 Ca -0.01 -0.67 0.05 0.00 -1.82 0.00 0.00 55.36 52.90 2kfw s GLN 14 Cb -0.04 -2.76 -0.04 0.00 -1.09 0.00 0.00 33.01 29.08 2kfw s GLN 14 CO -0.02 0.04 -0.07 0.54 -1.32 0.00 0.00 175.29 174.46 2kfw s VAL 15 N 0.80 3.57 -0.03 3.63 0.11 -0.36 -1.92 120.40 126.21 2kfw s VAL 15 Ca -0.04 -1.03 -0.08 0.00 -2.93 0.00 0.00 61.98 57.90 2kfw s VAL 15 Cb -0.15 -2.63 0.01 0.00 -1.53 0.00 0.00 36.38 32.08 2kfw s VAL 15 CO 0.01 0.23 0.18 0.00 -3.33 0.00 0.00 175.10 172.19 2kfw s ARG 16 N -1.90 0.40 0.22 1.54 1.70 -0.30 -1.82 118.95 118.80 2kfw s ARG 16 Ca 0.20 -0.10 -0.06 0.00 -0.47 0.00 0.00 55.73 55.30 2kfw s ARG 16 Cb -0.11 0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 34.39 2kfw s ARG 16 CO 0.12 -0.09 0.49 0.95 -1.08 0.00 0.00 175.30 175.70 2kfw s THR 17 N -0.77 5.04 0.59 4.99 -4.23 0.70 -3.10 115.64 118.87 2kfw s THR 17 Ca -0.09 0.16 0.36 0.00 -1.18 0.00 0.00 61.69 60.94 2kfw s THR 17 Cb -0.05 -3.67 0.53 0.00 1.34 0.00 0.00 72.50 70.65 2kfw s THR 17 CO 0.01 -0.13 1.46 -0.33 -0.54 0.00 0.00 174.62 175.09 2kfw h GLU 18 N 2.29 0.00 0.00 3.99 3.07 -1.89 1.17 114.58 123.21 2kfw h GLU 18 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2kfw h GLU 18 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2kfw h GLU 18 CO 0.69 0.00 0.04 -0.25 -1.40 0.00 0.00 179.01 178.09 2kfw n ASP 19 N -3.56 0.29 0.00 1.42 9.92 -1.26 -4.76 116.55 118.60 2kfw n ASP 19 Ca 0.30 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 55.18 2kfw n ASP 19 Cb 1.65 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kfw n GLY 20 N -1.37 0.81 3.36 0.44 0.00 0.40 -5.07 105.19 103.76 2kfw n GLY 20 Ca -0.01 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 2kfw n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfw s VAL 21 N -2.00 2.12 -0.30 1.61 0.11 -1.18 -4.94 120.40 115.81 2kfw s VAL 21 Ca 0.00 -1.72 -0.15 0.00 -2.93 0.00 0.00 61.98 57.18 2kfw s VAL 21 Cb 0.00 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2kfw s VAL 21 CO 0.00 0.03 0.37 -0.76 -3.33 0.00 0.00 175.10 171.42 2kfw s LEU 22 N -2.07 4.21 0.05 2.54 1.43 -1.26 -0.21 118.68 123.37 2kfw s LEU 22 Ca 0.12 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 2kfw s LEU 22 Cb -0.10 -2.40 -0.24 0.00 0.03 0.00 0.00 46.19 43.49 2kfw s LEU 22 CO 0.06 -0.26 1.16 0.58 0.23 0.00 0.00 176.35 178.11 2kfw h VAL 23 N 5.46 1.32 -3.23 -1.59 2.07 -1.71 -3.47 116.25 115.11 2kfw h VAL 23 Ca -0.31 -2.21 -0.13 0.00 0.82 0.00 0.00 66.70 64.88 2kfw h VAL 23 Cb 1.15 2.47 -0.20 0.00 -1.52 0.00 0.00 31.29 33.19 2kfw h VAL 23 CO 0.67 0.67 -0.35 -1.81 0.02 0.00 0.00 177.57 176.77 2kfw s ASP 24 N -7.14 -0.10 -0.15 0.57 1.11 -1.24 -5.04 116.67 104.67 2kfw s ASP 24 Ca -0.11 -0.05 -0.06 0.00 0.18 0.00 0.00 52.55 52.51 2kfw s ASP 24 Cb 0.06 0.28 0.07 0.00 1.07 0.00 0.00 42.92 44.39 2kfw s ASP 24 CO 0.89 -0.43 0.33 -1.83 1.18 0.00 0.00 175.17 175.30 2kfw s GLU 25 N -1.45 0.24 0.53 8.23 -1.05 -1.26 -1.23 118.70 122.71 2kfw s GLU 25 Ca -0.13 0.80 -0.21 0.00 -0.15 0.00 0.00 54.97 55.28 2kfw s GLU 25 Cb -0.06 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.64 2kfw s GLU 25 CO 0.03 -0.24 1.23 -1.54 0.95 0.00 0.00 175.26 175.69 2kfw s SER 26 N 2.15 5.59 0.05 0.83 1.04 -0.83 -4.95 113.70 117.58 2kfw s SER 26 Ca -0.03 2.46 -0.31 0.00 0.48 0.00 0.00 55.95 58.56 2kfw s SER 26 Cb -0.11 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.34 2kfw s SER 26 CO -0.10 -1.32 1.26 -2.16 0.98 0.00 0.00 173.24 171.89 2kfw s PRO 27 N -2.97 4.38 0.22 4.02 0.04 -1.26 -4.75 135.00 134.68 2kfw s PRO 27 Ca 0.70 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.76 2kfw s PRO 27 Cb -0.32 -3.37 0.87 0.00 0.04 0.00 0.00 34.50 31.71 2kfw s PRO 27 CO 0.38 -0.35 1.53 0.28 0.04 0.00 0.00 177.00 178.88 2kfw n VAL 28 N 4.08 1.17 -0.55 -0.36 0.31 -1.26 -1.08 118.33 120.64 2kfw n VAL 28 Ca 0.10 0.54 0.08 0.00 -0.01 0.00 0.00 64.34 65.05 2kfw n VAL 28 Cb 0.45 -1.51 0.27 0.00 -0.91 0.00 0.00 33.84 32.14 2kfw n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2kfw n SER 29 N -2.05 3.92 -3.08 4.52 2.88 -1.26 -4.78 113.62 113.77 2kfw n SER 29 Ca -0.00 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 2kfw n SER 29 Cb 0.08 -0.45 -0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kfw s ALA 30 N -1.76 -2.69 0.46 -1.46 0.00 -0.24 -5.15 121.76 110.93 2kfw s ALA 30 Ca 0.40 0.30 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 2kfw s ALA 30 Cb 0.26 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.52 2kfw s ALA 30 CO 0.18 -2.27 1.08 -1.25 0.00 0.00 0.00 175.76 173.51 2kfw s PRO 31 N 1.72 3.86 -0.99 0.00 0.04 -1.26 -4.09 135.00 134.29 2kfw s PRO 31 Ca 0.18 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.54 2kfw s PRO 31 Cb -0.02 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 32.26 2kfw s PRO 31 CO -0.08 -0.41 1.40 -1.17 0.04 0.00 0.00 177.00 176.78 2kfw s LEU 32 N -3.12 3.69 -0.58 -3.56 0.20 -1.26 -4.72 118.68 109.34 2kfw s LEU 32 Ca 0.64 -1.48 -0.24 0.00 0.69 0.00 0.00 54.13 53.74 2kfw s LEU 32 Cb -0.22 -2.55 0.05 0.00 -0.43 0.00 0.00 46.19 43.04 2kfw s LEU 32 CO 0.27 -1.47 0.94 -0.62 -0.29 0.00 0.00 176.35 175.18 2kfw s ASP 33 N 4.74 6.29 0.22 3.68 2.15 -1.25 -3.30 116.67 129.21 2kfw s ASP 33 Ca 0.44 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.92 2kfw s ASP 33 Cb -0.01 -2.43 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2kfw s ASP 33 CO -0.09 -1.28 0.05 -0.47 -0.17 0.00 0.00 175.17 173.22 2kfw s TYR 34 N 3.96 1.39 -0.97 -5.34 6.14 -1.17 -4.72 117.35 116.65 2kfw s TYR 34 Ca 0.28 -1.11 -0.24 0.00 0.64 0.00 0.00 57.07 56.64 2kfw s TYR 34 Cb -0.14 -0.80 -0.08 0.00 0.42 0.00 0.00 41.96 41.36 2kfw s TYR 34 CO 0.17 -0.28 2.02 -1.17 0.64 0.00 0.00 175.55 176.93 2kfw s LEU 35 N -3.25 3.03 0.42 6.97 2.96 -1.26 -1.20 118.68 126.35 2kfw s LEU 35 Ca 0.32 -0.86 -0.26 0.00 -0.22 0.00 0.00 54.13 53.11 2kfw s LEU 35 Cb 0.07 -2.57 -0.09 0.00 0.50 0.00 0.00 46.19 44.10 2kfw s LEU 35 CO 0.09 -3.14 1.45 -2.28 -1.32 0.00 0.00 176.35 171.15 2kfw s HIS 36 N 11.51 2.50 0.00 5.38 5.65 -1.13 -1.95 115.29 137.25 2kfw s HIS 36 Ca 0.74 1.22 0.00 0.00 0.25 0.00 0.00 55.06 57.27 2kfw s HIS 36 Cb -0.06 -3.97 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 2kfw s HIS 36 CO 0.05 -2.98 0.00 0.41 -0.65 0.00 0.00 174.74 171.58 2kfw n GLY 37 N 0.53 3.27 2.89 1.59 0.00 -1.25 -3.16 105.19 109.07 2kfw n GLY 37 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.41 3.09 -1.52 1.61 4.02 -0.82 -4.79 115.29 114.46 2kfw s HIS 38 Ca 0.00 -3.11 -0.14 0.00 1.02 0.00 0.00 55.06 52.83 2kfw s HIS 38 Cb 0.00 -2.62 0.10 0.00 -1.02 0.00 0.00 32.58 29.04 2kfw s HIS 38 CO 0.00 -0.69 0.79 0.41 1.02 0.00 0.00 174.74 176.27 2kfw n GLY 39 N 2.83 -0.48 0.04 -2.22 0.00 -1.26 -4.81 105.19 99.29 2kfw n GLY 39 Ca 0.10 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 2kfw n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kfw h SER 40 N -1.61 -0.04 0.00 1.61 0.87 -1.87 -3.49 113.55 109.02 2kfw h SER 40 Ca -0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2kfw h SER 40 Cb 1.35 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2kfw h SER 40 CO 0.66 0.20 0.00 0.18 -0.53 0.00 0.00 176.83 177.34 2kfw n LEU 41 N -3.36 0.00 -4.23 2.23 4.32 -1.26 -5.03 117.00 109.67 2kfw n LEU 41 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.84 2kfw n LEU 41 Cb 0.02 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.71 2kfw n LEU 41 CO 0.01 0.00 -0.41 0.27 -1.22 0.00 0.00 177.39 176.04 2kfw s ILE 42 N 0.02 1.12 0.15 -0.08 -4.36 -1.26 -4.94 121.20 111.85 2kfw s ILE 42 Ca 0.00 -1.94 -0.06 0.00 -0.26 0.00 0.00 60.65 58.38 2kfw s ILE 42 Cb 0.00 -1.72 -0.12 0.00 1.25 0.00 0.00 42.46 41.87 2kfw s ILE 42 CO 0.00 -0.69 1.38 0.77 0.24 0.00 0.00 174.94 176.65 2kfw h SER 43 N 3.00 0.69 -0.85 4.36 4.64 -1.93 -1.10 113.55 122.36 2kfw h SER 43 Ca -0.37 -0.45 0.09 0.00 -0.47 0.00 0.00 61.79 60.59 2kfw h SER 43 Cb 1.19 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 2kfw h SER 43 CO 0.60 1.21 0.55 1.23 -0.87 0.00 0.00 176.83 179.56 2kfw h GLY 44 N 0.96 1.19 1.32 -0.77 0.00 -1.95 -1.85 103.07 101.96 2kfw h GLY 44 Ca -0.04 -0.35 -0.27 0.00 0.00 0.00 0.00 47.33 46.68 2kfw h GLY 44 CO 0.14 0.21 -1.47 -2.00 0.00 0.00 0.00 176.54 173.42 2kfw h LEU 45 N 0.85 0.01 -1.19 3.11 5.85 -1.79 -3.30 115.31 118.84 2kfw h LEU 45 Ca 0.39 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.18 2kfw h LEU 45 Cb 0.38 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2kfw h LEU 45 CO -0.16 1.01 0.57 -0.33 -0.34 0.00 0.00 178.44 179.20 2kfw h GLU 46 N 0.00 0.89 0.00 1.25 5.08 -0.37 0.13 114.58 121.57 2kfw h GLU 46 Ca -0.19 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 2kfw h GLU 46 Cb 1.93 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 2kfw h GLU 46 CO 0.10 0.59 -0.68 0.00 -1.00 0.00 0.00 179.01 178.01 2kfw h THR 47 N 0.92 1.35 0.00 1.13 1.03 -1.58 -2.64 112.91 113.11 2kfw h THR 47 Ca 0.40 -2.45 -0.10 0.00 -0.01 0.00 0.00 66.41 64.25 2kfw h THR 47 Cb 0.34 2.37 -0.01 0.00 -1.07 0.00 0.00 68.15 69.78 2kfw h THR 47 CO -0.16 0.67 -0.48 0.00 -0.01 0.00 0.00 175.52 175.53 2kfw h ALA 48 N 1.32 0.69 0.00 0.00 0.00 -1.21 -3.34 119.26 116.71 2kfw h ALA 48 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2kfw h ALA 48 Cb 1.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kfw h ALA 48 CO 0.09 0.60 -0.10 1.25 0.00 0.00 0.00 179.25 181.09 2kfw h LEU 49 N 0.00 0.00 -9.16 0.00 6.46 -0.75 -3.44 115.31 108.42 2kfw h LEU 49 Ca -0.01 -0.69 -0.74 0.00 -0.12 0.00 0.00 57.88 56.33 2kfw h LEU 49 Cb 1.37 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.32 2kfw h LEU 49 CO 0.06 0.90 0.84 1.21 -0.62 0.00 0.00 178.44 180.83 2kfw n GLU 50 N -4.64 1.12 -1.83 1.25 0.00 -1.00 -2.60 120.64 112.93 2kfw n GLU 50 Ca -0.09 0.41 -0.02 0.00 0.00 0.00 0.00 57.16 57.46 2kfw n GLU 50 Cb 0.37 -2.08 0.01 0.00 0.00 0.00 0.00 31.44 29.74 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kfw n GLY 51 N 3.98 0.04 0.00 8.31 0.00 -1.24 -4.97 105.19 111.31 2kfw n GLY 51 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.52 0.00 -1.12 1.61 -0.00 -1.07 -5.01 115.22 108.11 2kfw n HIS 52 Ca -0.01 -0.03 0.02 0.00 0.46 0.00 0.00 57.72 58.16 2kfw n HIS 52 Cb 0.51 -0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.37 2kfw n HIS 52 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2kfw n GLU 53 N -0.03 -2.88 -2.90 1.57 0.00 -1.26 -4.25 120.64 110.89 2kfw n GLU 53 Ca 0.00 2.25 -0.42 0.00 0.00 0.00 0.00 57.16 59.00 2kfw n GLU 53 Cb 0.34 -2.87 -0.04 0.00 0.00 0.00 0.00 31.44 28.86 2kfw n GLU 53 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2kfw s VAL 54 N -4.86 4.83 0.00 6.31 1.01 -1.25 -3.46 120.40 122.98 2kfw s VAL 54 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2kfw s VAL 54 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2kfw s VAL 54 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 2kfw n GLY 55 N 3.79 0.89 3.83 4.51 0.00 -1.08 -5.02 105.19 112.11 2kfw n GLY 55 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2kfw n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfw s ASP 56 N -1.72 5.62 0.31 1.61 1.01 -1.22 -4.84 116.67 117.43 2kfw s ASP 56 Ca 0.00 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.14 2kfw s ASP 56 Cb 0.00 -1.48 -0.04 0.00 1.01 0.00 0.00 42.92 42.41 2kfw s ASP 56 CO 0.00 0.01 0.15 -1.59 0.21 0.00 0.00 175.17 173.95 2kfw s LYS 57 N -3.47 1.61 -0.04 8.23 -2.85 -1.26 -1.27 119.74 120.70 2kfw s LYS 57 Ca 0.32 -1.92 -0.29 0.00 -1.00 0.00 0.00 55.97 53.08 2kfw s LYS 57 Cb -0.09 -0.18 0.10 0.00 -2.06 0.00 0.00 37.83 35.59 2kfw s LYS 57 CO 0.25 -0.43 0.82 -0.59 0.10 0.00 0.00 175.35 175.49 2kfw s PHE 58 N -3.57 -0.46 -0.13 1.78 -0.71 0.67 -4.94 117.98 110.63 2kfw s PHE 58 Ca 0.35 0.59 0.02 0.00 -1.04 0.00 0.00 56.93 56.85 2kfw s PHE 58 Cb 0.05 0.48 0.01 0.00 -1.21 0.00 0.00 43.02 42.35 2kfw s PHE 58 CO 0.17 -0.55 -0.20 0.16 -1.34 0.00 0.00 175.22 173.46 2kfw s ASP 59 N -1.79 2.90 -0.00 1.98 -4.77 -1.26 0.00 116.67 113.73 2kfw s ASP 59 Ca -0.02 -0.55 -0.00 0.00 -3.30 0.00 0.00 52.55 48.68 2kfw s ASP 59 Cb -0.01 -1.33 0.00 0.00 -1.09 0.00 0.00 42.92 40.49 2kfw s ASP 59 CO -0.02 0.06 0.01 -0.69 0.70 0.00 0.00 175.17 175.23 2kfw s VAL 60 N 0.84 -0.00 -0.38 2.11 1.01 -1.18 -4.99 120.40 117.82 2kfw s VAL 60 Ca -0.07 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 2kfw s VAL 60 Cb -0.15 -0.02 0.01 0.00 0.00 0.00 0.00 36.38 36.22 2kfw s VAL 60 CO -0.01 0.01 0.85 0.00 0.00 0.00 0.00 175.10 175.94 2kfw s ALA 61 N 0.09 3.40 -0.30 5.51 0.00 -1.26 -3.72 121.76 125.48 2kfw s ALA 61 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2kfw s ALA 61 Cb -0.01 -3.46 0.18 0.00 0.00 0.00 0.00 23.12 19.83 2kfw s ALA 61 CO -0.00 -1.59 0.50 0.14 0.00 0.00 0.00 175.76 174.80 2kfw s VAL 62 N 3.31 -0.79 0.00 0.00 -7.23 -1.06 -4.92 120.40 109.70 2kfw s VAL 62 Ca 0.34 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2kfw s VAL 62 Cb -0.12 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.92 2kfw s VAL 62 CO 0.19 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 2kfw n GLY 63 N 5.25 0.24 0.14 2.32 0.00 -1.26 -4.33 105.19 107.54 2kfw n GLY 63 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw h ALA 64 N 0.12 0.69 0.00 4.61 0.00 -1.80 1.34 119.26 124.22 2kfw h ALA 64 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2kfw h ALA 64 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kfw h ALA 64 CO 0.00 0.00 -0.82 -0.97 0.00 0.00 0.00 179.25 177.46 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -0.73 -1.95 -3.42 115.58 109.47 2kfw h ASN 65 Ca 0.00 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 2kfw h ASN 65 Cb 0.94 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 39.40 2kfw h ASN 65 CO 0.00 0.73 -0.14 -0.67 -0.37 0.00 0.00 177.43 176.98 2kfw n ASP 66 N -3.25 -1.71 0.00 1.15 2.03 -1.25 -5.08 116.55 108.45 2kfw n ASP 66 Ca -0.00 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 52.87 2kfw n ASP 66 Cb 0.84 1.31 0.00 0.00 -0.72 0.00 0.00 41.12 42.55 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw n ALA 67 N 0.85 0.00 -1.55 -1.67 0.00 -0.65 -3.27 120.51 114.21 2kfw n ALA 67 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 2kfw n ALA 67 Cb 0.72 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.30 2kfw n ALA 67 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kfw n TYR 68 N 0.00 2.14 0.09 0.00 0.18 -0.98 -4.60 117.16 113.99 2kfw n TYR 68 Ca 0.00 -2.09 -0.13 0.00 1.88 0.00 0.00 57.90 57.56 2kfw n TYR 68 Cb 0.00 -0.71 -0.10 0.00 -0.38 0.00 0.00 39.34 38.14 2kfw n TYR 68 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2kfw h GLY 69 N 1.49 0.25 -2.56 -7.48 0.00 0.14 -3.46 103.07 91.46 2kfw h GLY 69 Ca 0.38 -0.57 -0.53 0.00 0.00 0.00 0.00 47.33 46.61 2kfw h GLY 69 CO 0.81 0.50 -1.97 -1.06 0.00 0.00 0.00 176.54 174.83 2kfw n GLN 70 N -3.54 -0.10 -2.88 4.80 1.13 -1.25 -1.87 117.38 113.67 2kfw n GLN 70 Ca -0.06 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.56 2kfw n GLN 70 Cb 0.95 -1.10 -0.04 0.00 0.11 0.00 0.00 30.24 30.16 2kfw n GLN 70 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2kfw s TYR 71 N -2.04 3.33 -0.05 1.08 6.14 -1.26 -4.54 117.35 120.00 2kfw s TYR 71 Ca 0.41 1.16 -0.01 0.00 0.64 0.00 0.00 57.07 59.27 2kfw s TYR 71 Cb -0.10 -3.05 0.03 0.00 0.42 0.00 0.00 41.96 39.26 2kfw s TYR 71 CO 0.76 -0.38 0.02 -0.51 0.64 0.00 0.00 175.55 176.08 2kfw s ASP 72 N 1.31 1.13 0.00 4.32 1.01 -1.26 -5.00 116.67 118.18 2kfw s ASP 72 Ca 0.36 -0.01 0.14 0.00 0.71 0.00 0.00 52.55 53.75 2kfw s ASP 72 Cb -0.15 -0.27 0.70 0.00 1.01 0.00 0.00 42.92 44.21 2kfw s ASP 72 CO 0.08 -0.19 1.40 -0.62 0.21 0.00 0.00 175.17 176.05 2kfw n GLU 73 N 4.95 0.17 -0.02 8.23 1.02 -1.25 -3.36 120.64 130.39 2kfw n GLU 73 Ca -0.10 0.17 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 2kfw n GLU 73 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.29 2kfw n GLU 73 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2kfw h ASN 74 N 0.00 0.23 0.00 1.62 2.35 -1.88 -1.29 115.58 116.62 2kfw h ASN 74 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 2kfw h ASN 74 Cb 0.15 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2kfw h ASN 74 CO 0.00 1.31 0.00 0.00 -1.65 0.00 0.00 177.43 177.09 2kfw n LEU 75 N -4.30 0.00 -3.87 1.61 -0.00 -1.21 -4.43 117.00 104.80 2kfw n LEU 75 Ca -0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.75 2kfw n LEU 75 Cb 0.70 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.04 2kfw n LEU 75 CO 0.38 0.00 -0.13 0.68 -0.00 0.00 0.00 177.39 178.33 2kfw s VAL 76 N 0.00 0.12 0.15 1.47 -7.23 -1.26 -4.66 120.40 109.00 2kfw s VAL 76 Ca 0.00 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 2kfw s VAL 76 Cb 0.00 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 2kfw s VAL 76 CO 0.00 -0.57 -0.08 -1.58 -0.31 0.00 0.00 175.10 172.56 2kfw s GLN 77 N -2.95 1.05 -0.05 4.82 0.74 0.55 -3.64 119.66 120.18 2kfw s GLN 77 Ca -0.02 -1.46 0.02 0.00 0.05 0.00 0.00 55.36 53.95 2kfw s GLN 77 Cb 0.01 -0.52 0.02 0.00 1.10 0.00 0.00 33.01 33.62 2kfw s GLN 77 CO -0.06 0.03 -0.08 1.03 -0.55 0.00 0.00 175.29 175.66 2kfw s ARG 78 N -3.79 1.18 -0.30 1.67 0.52 -1.26 -1.72 118.95 115.26 2kfw s ARG 78 Ca 0.17 -0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 55.05 2kfw s ARG 78 Cb 0.04 -1.06 0.15 0.00 0.52 0.00 0.00 34.95 34.59 2kfw s ARG 78 CO 0.01 -0.03 0.74 0.54 0.02 0.00 0.00 175.30 176.57 2kfw s VAL 79 N 0.78 -0.85 0.86 3.52 0.11 -0.25 -4.94 120.40 119.63 2kfw s VAL 79 Ca -0.13 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.80 2kfw s VAL 79 Cb -0.15 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.81 2kfw s VAL 79 CO 0.02 0.00 1.12 -2.16 -3.33 0.00 0.00 175.10 170.74 2kfw s PRO 80 N 2.79 1.54 0.40 1.54 0.04 -1.26 -2.48 135.00 137.57 2kfw s PRO 80 Ca -0.01 0.47 0.25 0.00 0.04 0.00 0.00 61.00 61.76 2kfw s PRO 80 Cb -0.11 -1.87 1.38 0.00 0.04 0.00 0.00 34.50 33.94 2kfw s PRO 80 CO -0.19 -1.96 1.76 -0.22 0.04 0.00 0.00 177.00 176.44 2kfw h LYS 81 N -1.33 0.00 -0.15 4.56 3.11 -1.88 -2.28 116.57 118.60 2kfw h LYS 81 Ca -0.49 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.39 2kfw h LYS 81 Cb 1.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.53 2kfw h LYS 81 CO 0.60 0.00 0.54 0.22 -2.81 0.00 0.00 179.45 178.00 2kfw h ASP 82 N 0.00 0.00 -0.00 4.20 3.58 -1.92 0.99 116.42 123.28 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kfw h ASP 82 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kfw h ASP 82 CO 0.00 0.00 -0.81 0.52 -2.88 0.00 0.00 179.24 176.07 2kfw n VAL 83 N -3.01 0.00 -0.07 2.25 0.31 -0.86 -4.60 118.33 112.36 2kfw n VAL 83 Ca 0.02 -0.10 -0.04 0.00 -0.01 0.00 0.00 64.34 64.22 2kfw n VAL 83 Cb 0.62 1.03 -0.01 0.00 -0.91 0.00 0.00 33.84 34.57 2kfw n VAL 83 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2kfw h PHE 84 N 0.29 0.00 -5.34 3.52 -1.00 0.85 -3.47 116.94 111.80 2kfw h PHE 84 Ca 0.00 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.44 2kfw h PHE 84 Cb 0.46 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.94 2kfw h PHE 84 CO 0.00 0.00 -0.49 -1.33 -1.61 0.00 0.00 178.31 174.88 2kfw n MET 85 N -4.59 -3.00 -2.67 1.51 2.81 -0.89 -4.79 117.12 105.50 2kfw n MET 85 Ca -0.06 0.41 -0.04 0.00 -1.81 0.00 0.00 57.70 56.21 2kfw n MET 85 Cb 0.21 -5.07 0.04 0.00 -0.71 0.00 0.00 33.22 27.69 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfw n GLY 86 N -1.05 -1.71 3.09 3.03 0.00 -1.26 -5.13 105.19 102.16 2kfw n GLY 86 Ca -0.02 1.22 0.01 0.00 0.00 0.00 0.00 46.02 47.23 2kfw n GLY 86 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfw s VAL 87 N 0.76 -0.90 0.57 1.61 -7.23 -1.26 -5.00 120.40 108.95 2kfw s VAL 87 Ca 0.24 -0.05 0.27 0.00 -1.81 0.00 0.00 61.98 60.63 2kfw s VAL 87 Cb 0.15 -0.98 0.35 0.00 0.56 0.00 0.00 36.38 36.46 2kfw s VAL 87 CO -0.10 -0.05 2.14 -0.78 -0.31 0.00 0.00 175.10 176.00 2kfw h ASP 88 N 8.04 0.00 0.00 4.85 3.58 -2.03 -3.42 116.42 127.44 2kfw h ASP 88 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2kfw h ASP 88 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2kfw h ASP 88 CO 0.22 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 175.96 2kfw n GLU 89 N -3.99 0.00 -3.79 0.28 -0.58 -1.26 -5.17 120.64 106.13 2kfw n GLU 89 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2kfw n GLU 89 Cb 0.24 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.96 2kfw n GLU 89 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2kfw s LEU 90 N 0.00 1.15 0.00 -4.62 0.05 -1.26 -5.16 118.68 108.85 2kfw s LEU 90 Ca 0.00 0.15 0.00 0.00 0.05 0.00 0.00 54.13 54.33 2kfw s LEU 90 Cb 0.00 0.16 0.00 0.00 -2.05 0.00 0.00 46.19 44.30 2kfw s LEU 90 CO 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 176.35 175.70 2kfw n GLN 91 N 3.87 1.14 -2.42 1.48 10.64 -1.26 -5.09 117.38 125.73 2kfw n GLN 91 Ca -0.23 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.58 2kfw n GLN 91 Cb 0.53 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.89 2kfw n GLN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kfw s VAL 92 N -1.20 3.47 0.00 -0.39 0.11 -1.26 -3.20 120.40 117.93 2kfw s VAL 92 Ca 0.00 1.09 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 2kfw s VAL 92 Cb 0.00 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 2kfw s VAL 92 CO 0.00 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2kfw n GLY 93 N 0.30 0.63 3.83 6.54 0.00 -1.25 -5.05 105.19 110.19 2kfw n GLY 93 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.79 3.10 -0.05 1.61 0.00 -1.19 -5.00 119.30 116.98 2kfw s MET 94 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 55.69 54.97 2kfw s MET 94 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 34.83 31.92 2kfw s MET 94 CO 0.00 0.59 0.34 0.50 0.00 0.00 0.00 175.02 176.45 2kfw s ARG 95 N -2.41 3.87 0.03 4.11 3.52 -1.26 -2.94 118.95 123.87 2kfw s ARG 95 Ca 0.31 0.27 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 2kfw s ARG 95 Cb -0.12 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 2kfw s ARG 95 CO 0.24 0.64 -0.04 0.12 -0.81 0.00 0.00 175.30 175.46 2kfw s PHE 96 N -0.84 2.95 -0.14 5.12 5.36 -1.13 -4.93 117.98 124.37 2kfw s PHE 96 Ca 0.21 -0.01 -0.02 0.00 -0.96 0.00 0.00 56.93 56.15 2kfw s PHE 96 Cb -0.15 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.91 2kfw s PHE 96 CO 0.10 0.43 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.70 2kfw s LEU 97 N -1.73 3.03 -0.04 6.12 1.43 -1.26 0.16 118.68 126.39 2kfw s LEU 97 Ca 0.20 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2kfw s LEU 97 Cb -0.11 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 2kfw s LEU 97 CO 0.11 0.19 -0.19 0.00 0.23 0.00 0.00 176.35 176.69 2kfw s ALA 98 N 0.22 2.44 -0.75 4.21 0.00 -0.09 -4.89 121.76 122.91 2kfw s ALA 98 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2kfw s ALA 98 Cb -0.14 -0.81 0.32 0.00 0.00 0.00 0.00 23.12 22.49 2kfw s ALA 98 CO 0.04 0.52 1.20 0.39 0.00 0.00 0.00 175.76 177.91 2kfw n GLU 99 N 2.48 3.84 -0.44 0.00 1.02 -1.26 0.46 120.64 126.73 2kfw n GLU 99 Ca -0.17 -4.77 -0.28 0.00 -0.02 0.00 0.00 57.16 51.92 2kfw n GLU 99 Cb 0.52 -2.33 0.27 0.00 -0.02 0.00 0.00 31.44 29.88 2kfw n GLU 99 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2kfw n THR 100 N 0.07 0.00 0.17 2.62 -2.24 -1.07 -4.85 114.28 108.98 2kfw n THR 100 Ca 0.35 -0.48 0.02 0.00 -2.27 0.00 0.00 64.05 61.67 2kfw n THR 100 Cb 0.35 -1.00 0.27 0.00 -2.10 0.00 0.00 70.33 67.86 2kfw n THR 100 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kfw h ASP 101 N -2.83 0.00 0.38 3.42 3.32 -2.03 -2.37 116.42 116.30 2kfw h ASP 101 Ca -0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2kfw h ASP 101 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2kfw h ASP 101 CO 0.49 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 2kfw n GLN 102 N -3.81 0.11 0.00 3.56 6.02 -1.26 -4.93 117.38 117.07 2kfw n GLN 102 Ca -0.01 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2kfw n GLN 102 Cb 0.53 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.02 2.69 3.63 1.08 0.00 -0.89 -5.04 105.19 106.64 2kfw n GLY 103 Ca 0.05 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.82 3.84 -0.22 1.61 0.04 -1.26 -2.60 135.00 134.58 2kfw s PRO 104 Ca 0.00 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.46 2kfw s PRO 104 Cb 0.00 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.61 2kfw s PRO 104 CO 0.00 -1.23 -0.14 0.08 0.04 0.00 0.00 177.00 175.75 2kfw s VAL 105 N 4.83 2.35 0.43 -0.36 1.01 0.17 -4.96 120.40 123.87 2kfw s VAL 105 Ca 0.63 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 2kfw s VAL 105 Cb -0.20 -2.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 2kfw s VAL 105 CO 0.26 0.31 1.10 -2.16 0.00 0.00 0.00 175.10 174.61 2kfw s PRO 106 N 1.26 3.98 0.43 2.72 0.04 -1.26 -0.91 135.00 141.25 2kfw s PRO 106 Ca 0.00 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.73 2kfw s PRO 106 Cb -0.16 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2kfw s PRO 106 CO -0.08 -0.33 0.12 0.08 0.04 0.00 0.00 177.00 176.82 2kfw s VAL 107 N -1.62 2.06 -0.23 -0.36 1.01 0.44 -4.82 120.40 116.87 2kfw s VAL 107 Ca 0.61 -1.82 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 2kfw s VAL 107 Cb -0.25 -2.88 0.07 0.00 0.00 0.00 0.00 36.38 33.33 2kfw s VAL 107 CO 0.30 0.00 0.07 -0.70 0.00 0.00 0.00 175.10 174.77 2kfw s GLU 108 N -3.85 0.51 0.01 2.72 -6.30 -1.26 -2.83 118.70 107.69 2kfw s GLU 108 Ca 0.35 -0.51 -0.30 0.00 -2.50 0.00 0.00 54.97 52.01 2kfw s GLU 108 Cb 0.06 -1.91 -0.07 0.00 0.00 0.00 0.00 34.13 32.21 2kfw s GLU 108 CO 0.19 -0.77 1.66 0.42 0.02 0.00 0.00 175.26 176.78 2kfw s ILE 109 N 1.89 3.32 -0.18 -3.70 1.01 -1.15 -1.55 121.20 120.85 2kfw s ILE 109 Ca 0.03 0.59 0.10 0.00 0.00 0.00 0.00 60.65 61.37 2kfw s ILE 109 Cb -0.17 -3.38 -0.14 0.00 0.01 0.00 0.00 42.46 38.78 2kfw s ILE 109 CO -0.16 -0.03 0.30 1.07 0.00 0.00 0.00 174.94 176.12 2kfw n THR 110 N 5.11 0.00 -3.80 2.92 5.66 -0.23 -3.90 114.28 120.03 2kfw n THR 110 Ca 0.17 -0.25 -0.05 0.00 -3.05 0.00 0.00 64.05 60.87 2kfw n THR 110 Cb 0.42 0.53 0.02 0.00 -1.55 0.00 0.00 70.33 69.75 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw n ALA 111 N -1.64 -2.10 -3.10 1.79 0.00 -1.19 -4.86 120.51 109.41 2kfw n ALA 111 Ca -0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 53.44 52.29 2kfw n ALA 111 Cb 0.23 0.69 -0.10 0.00 0.00 0.00 0.00 19.45 20.26 2kfw n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kfw s VAL 112 N -2.14 0.06 0.04 0.00 0.11 -1.26 -3.43 120.40 113.78 2kfw s VAL 112 Ca 0.18 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2kfw s VAL 112 Cb -0.03 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2kfw s VAL 112 CO 0.07 -0.28 0.05 -0.70 -3.33 0.00 0.00 175.10 170.91 2kfw s GLU 113 N -1.02 0.56 0.11 1.54 2.12 -0.43 -4.98 118.70 116.59 2kfw s GLU 113 Ca -0.11 -0.83 -0.35 0.00 0.36 0.00 0.00 54.97 54.04 2kfw s GLU 113 Cb -0.06 0.21 -0.15 0.00 0.26 0.00 0.00 34.13 34.39 2kfw s GLU 113 CO 0.01 -0.13 1.50 -0.25 -0.54 0.00 0.00 175.26 175.86 2kfw n ASP 114 N 0.74 2.51 -4.21 -1.70 8.00 -1.26 -1.16 116.55 119.48 2kfw n ASP 114 Ca -0.19 1.09 -0.34 0.00 0.71 0.00 0.00 54.79 56.07 2kfw n ASP 114 Cb 0.59 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.32 2kfw n ASP 114 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kfw n ASP 115 N 3.27 -1.74 -3.61 -2.24 -0.08 -1.26 -4.89 116.55 106.00 2kfw n ASP 115 Ca 0.18 -1.08 -0.05 0.00 -1.51 0.00 0.00 54.79 52.33 2kfw n ASP 115 Cb 0.24 -2.53 -0.04 0.00 2.34 0.00 0.00 41.12 41.14 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2kfw s HIS 116 N -3.62 -0.17 0.20 -0.67 2.46 -0.31 -4.67 115.29 108.51 2kfw s HIS 116 Ca 0.46 0.29 0.01 0.00 0.47 0.00 0.00 55.06 56.29 2kfw s HIS 116 Cb -0.25 0.48 -0.05 0.00 -0.13 0.00 0.00 32.58 32.63 2kfw s HIS 116 CO 0.94 -0.17 0.04 0.08 -2.47 0.00 0.00 174.74 173.16 2kfw s VAL 117 N -1.15 0.59 -0.06 0.89 1.01 -1.04 -1.31 120.40 119.34 2kfw s VAL 117 Ca 0.05 -1.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.02 2kfw s VAL 117 Cb -0.01 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.10 2kfw s VAL 117 CO -0.04 -0.30 0.05 0.68 0.00 0.00 0.00 175.10 175.49 2kfw s VAL 118 N -3.72 -0.01 0.26 2.92 -7.23 -1.22 -1.09 120.40 110.31 2kfw s VAL 118 Ca 0.29 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 2kfw s VAL 118 Cb 0.07 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.73 2kfw s VAL 118 CO 0.07 0.13 0.01 1.33 -0.31 0.00 0.00 175.10 176.34 2kfw n VAL 119 N 5.27 0.00 -3.30 1.32 0.24 -0.70 -1.07 118.33 120.09 2kfw n VAL 119 Ca -0.04 -1.23 -0.44 0.00 -2.04 0.00 0.00 64.34 60.58 2kfw n VAL 119 Cb 0.50 0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 2kfw n VAL 119 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2kfw s ASP 120 N -2.46 6.18 0.00 -1.34 -4.77 -0.59 0.21 116.67 113.89 2kfw s ASP 120 Ca 0.01 -1.13 0.00 0.00 -3.30 0.00 0.00 52.55 48.13 2kfw s ASP 120 Cb -0.00 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.60 2kfw s ASP 120 CO 0.01 -0.74 0.00 0.61 0.70 0.00 0.00 175.17 175.75 2kfw n GLY 121 N 5.19 3.57 3.34 2.12 0.00 -0.49 -4.51 105.19 114.40 2kfw n GLY 121 Ca -0.10 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2kfw n GLY 121 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kfw n ASN 122 N 0.00 -2.18 -0.26 1.61 0.23 -1.22 -3.50 115.26 109.94 2kfw n ASN 122 Ca 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 2kfw n ASN 122 Cb 0.00 -1.05 0.00 0.00 -2.08 0.00 0.00 39.78 36.65 2kfw n ASN 122 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2kfw n HIS 123 N -4.44 -0.35 0.10 -2.53 -0.00 -1.24 -3.21 115.22 103.54 2kfw n HIS 123 Ca 0.02 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.16 2kfw n HIS 123 Cb 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 2kfw n HIS 123 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 2kfw h MET 124 N 0.00 0.00 0.00 1.57 4.05 -1.96 -3.46 114.93 115.13 2kfw h MET 124 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kfw h MET 124 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2kfw h MET 124 CO 0.00 0.80 0.00 1.28 0.23 0.00 0.00 176.91 179.22 2kfw n LEU 125 N -3.47 0.00 -1.35 3.39 4.77 -1.26 -5.16 117.00 113.92 2kfw n LEU 125 Ca -0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 2kfw n LEU 125 Cb 0.80 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.84 2kfw n LEU 125 CO 0.44 0.00 -0.35 0.00 -1.33 0.00 0.00 177.39 176.15 2kfw n ALA 126 N 0.00 -3.52 -1.57 -1.18 0.00 -1.26 -4.79 120.51 108.19 2kfw n ALA 126 Ca 0.00 0.55 -0.15 0.00 0.00 0.00 0.00 53.44 53.85 2kfw n ALA 126 Cb 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 2kfw n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfw n GLY 127 N -4.13 1.24 2.82 0.00 0.00 -0.78 -4.88 105.19 99.46 2kfw n GLY 127 Ca -0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2kfw n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfw s GLN 128 N -3.50 1.62 -0.00 1.61 2.00 -1.26 -4.90 119.66 115.23 2kfw s GLN 128 Ca 0.00 -2.32 -0.39 0.00 -2.00 0.00 0.00 55.36 50.65 2kfw s GLN 128 Cb 0.00 -2.80 -0.19 0.00 0.80 0.00 0.00 33.01 30.82 2kfw s GLN 128 CO 0.00 -1.14 1.04 -1.71 -0.50 0.00 0.00 175.29 172.97 2kfw n ASN 129 N 3.30 -0.00 -4.60 6.67 5.15 -1.26 -4.56 115.26 119.95 2kfw n ASN 129 Ca 0.07 1.12 -0.34 0.00 -0.60 0.00 0.00 54.58 54.83 2kfw n ASN 129 Cb 0.34 -0.89 -0.11 0.00 -0.53 0.00 0.00 39.78 38.59 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kfw s LEU 130 N 0.01 3.34 -0.20 1.20 1.02 -1.26 -4.79 118.68 118.00 2kfw s LEU 130 Ca 0.88 0.01 -0.11 0.00 0.02 0.00 0.00 54.13 54.93 2kfw s LEU 130 Cb -1.23 -1.76 -0.05 0.00 0.02 0.00 0.00 46.19 43.17 2kfw s LEU 130 CO 0.55 0.31 0.18 -0.75 0.02 0.00 0.00 176.35 176.66 2kfw s LYS 131 N -0.51 4.19 -0.04 1.70 2.20 -1.18 -2.56 119.74 123.54 2kfw s LYS 131 Ca 0.08 -0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.42 2kfw s LYS 131 Cb -0.12 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2kfw s LYS 131 CO 0.02 0.24 0.28 -0.59 -0.36 0.00 0.00 175.35 174.94 2kfw s PHE 132 N 0.51 -0.20 0.44 4.03 -0.12 -1.24 -1.15 117.98 120.25 2kfw s PHE 132 Ca 0.10 0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 57.36 2kfw s PHE 132 Cb -0.12 0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 2kfw s PHE 132 CO 0.00 -0.30 0.68 1.21 -0.05 0.00 0.00 175.22 176.77 2kfw s ASN 133 N -0.83 5.97 -0.07 1.98 3.84 -0.81 -3.10 114.94 121.92 2kfw s ASN 133 Ca -0.09 0.45 -0.04 0.00 0.21 0.00 0.00 52.86 53.38 2kfw s ASN 133 Cb -0.05 -1.76 0.03 0.00 -0.55 0.00 0.00 41.25 38.93 2kfw s ASN 133 CO 0.03 -0.62 0.17 -0.69 -2.79 0.00 0.00 177.10 173.19 2kfw s VAL 134 N -2.56 -0.03 -0.13 -5.21 1.01 0.10 -2.61 120.40 110.97 2kfw s VAL 134 Ca 0.47 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2kfw s VAL 134 Cb -0.10 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2kfw s VAL 134 CO 0.39 0.05 -0.18 -1.61 0.00 0.00 0.00 175.10 173.75 2kfw s GLU 135 N 0.88 2.58 0.26 2.72 2.02 -0.59 -0.24 118.70 126.34 2kfw s GLU 135 Ca -0.07 -0.69 -0.27 0.00 0.02 0.00 0.00 54.97 53.96 2kfw s GLU 135 Cb -0.08 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 2kfw s GLU 135 CO -0.05 -0.06 0.91 0.14 0.02 0.00 0.00 175.26 176.22 2kfw s VAL 136 N 0.95 4.20 -0.11 2.63 -7.23 -0.40 -2.57 120.40 117.88 2kfw s VAL 136 Ca -0.06 1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 61.97 2kfw s VAL 136 Cb -0.15 -4.14 -0.06 0.00 0.56 0.00 0.00 36.38 32.59 2kfw s VAL 136 CO -0.03 0.34 -0.12 0.52 -0.31 0.00 0.00 175.10 175.50 2kfw n VAL 137 N 1.07 0.62 -3.87 1.32 0.31 0.23 -2.65 118.33 115.37 2kfw n VAL 137 Ca -0.01 -0.20 -0.07 0.00 -0.01 0.00 0.00 64.34 64.04 2kfw n VAL 137 Cb 0.49 -1.22 -0.02 0.00 -0.91 0.00 0.00 33.84 32.17 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw s ALA 138 N -2.21 -1.06 -0.22 3.52 0.00 -1.24 -4.59 121.76 115.96 2kfw s ALA 138 Ca -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 2kfw s ALA 138 Cb 0.05 0.86 0.11 0.00 0.00 0.00 0.00 23.12 24.14 2kfw s ALA 138 CO 0.23 -1.01 0.42 0.96 0.00 0.00 0.00 175.76 176.35 2kfw s ILE 139 N -3.78 -0.65 0.49 0.00 -4.36 -1.24 -2.78 121.20 108.87 2kfw s ILE 139 Ca 0.13 0.09 0.02 0.00 -0.26 0.00 0.00 60.65 60.62 2kfw s ILE 139 Cb -0.05 -0.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.92 2kfw s ILE 139 CO 0.08 0.01 0.06 0.54 0.24 0.00 0.00 174.94 175.87 2kfw n ARG 140 N 5.39 0.67 -4.03 0.37 1.74 -0.90 -4.89 116.66 115.01 2kfw n ARG 140 Ca -0.07 -3.74 -0.35 0.00 -0.77 0.00 0.00 57.85 52.93 2kfw n ARG 140 Cb 0.50 1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 33.25 2kfw n ARG 140 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kfw s GLU 141 N -3.79 3.26 0.32 5.56 -6.30 -1.26 -1.14 118.70 115.35 2kfw s GLU 141 Ca 0.08 -0.32 0.01 0.00 -2.50 0.00 0.00 54.97 52.25 2kfw s GLU 141 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 34.13 31.09 2kfw s GLU 141 CO 0.06 0.71 0.51 0.00 0.02 0.00 0.00 175.26 176.55 2kfw s ALA 142 N -1.11 3.75 1.09 6.30 0.00 -1.24 -4.83 121.76 125.72 2kfw s ALA 142 Ca 0.20 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 2kfw s ALA 142 Cb -0.12 -2.03 0.24 0.00 0.00 0.00 0.00 23.12 21.22 2kfw s ALA 142 CO 0.10 0.04 1.19 0.99 0.00 0.00 0.00 175.76 178.08 2kfw s THR 143 N -2.24 1.78 0.23 0.00 2.01 -1.26 -4.71 115.64 111.45 2kfw s THR 143 Ca 0.39 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.32 2kfw s THR 143 Cb -0.09 -2.69 0.19 0.00 0.01 0.00 0.00 72.50 69.91 2kfw s THR 143 CO 0.34 0.00 1.84 1.05 -0.69 0.00 0.00 174.62 177.16 2kfw h GLU 144 N -2.16 0.84 -0.20 4.92 4.11 -1.99 -1.50 114.58 118.61 2kfw h GLU 144 Ca -0.45 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 58.80 2kfw h GLU 144 Cb 1.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kfw h GLU 144 CO 0.38 0.56 -0.41 1.49 0.07 0.00 0.00 179.01 181.10 2kfw h GLU 145 N 0.87 0.45 -0.14 1.06 4.57 -1.96 0.16 114.58 119.59 2kfw h GLU 145 Ca 0.34 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2kfw h GLU 145 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2kfw h GLU 145 CO -0.17 0.79 0.09 0.93 -1.18 0.00 0.00 179.01 179.46 2kfw h GLU 146 N 0.38 0.19 0.00 1.92 5.08 -1.47 -0.05 114.58 120.62 2kfw h GLU 146 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kfw h GLU 146 Cb 0.88 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2kfw h GLU 146 CO 0.07 0.15 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.99 2kfw h LEU 147 N 0.17 0.00 0.07 1.33 3.38 -1.35 0.41 115.31 119.31 2kfw h LEU 147 Ca 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kfw h LEU 147 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kfw h LEU 147 CO -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 178.44 178.51 2kfw h ALA 148 N 2.35 -0.09 -0.00 1.53 0.00 -0.12 -3.33 119.26 119.60 2kfw h ALA 148 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kfw h ALA 148 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kfw h ALA 148 CO 0.00 -0.15 -0.59 0.72 0.00 0.00 0.00 179.25 179.24 2kfw n HIS 149 N -4.79 0.00 -2.42 0.00 8.25 -0.08 -4.96 115.22 111.22 2kfw n HIS 149 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.36 2kfw n HIS 149 Cb 0.29 -0.13 0.01 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 1.46 0.52 3.30 -1.41 0.00 0.40 -5.06 105.19 104.40 2kfw n GLY 150 Ca 0.07 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 2kfw n GLY 150 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 151 N -3.05 2.01 -0.15 1.61 3.76 0.11 -4.90 115.29 114.69 2kfw s HIS 151 Ca 0.04 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.55 2kfw s HIS 151 Cb -0.02 -1.16 0.04 0.00 1.11 0.00 0.00 32.58 32.55 2kfw s HIS 151 CO 0.11 0.16 -0.05 0.54 -0.85 0.00 0.00 174.74 174.65 2kfw s VAL 152 N -0.92 0.99 -1.54 -0.90 0.11 -1.26 -4.25 120.40 112.63 2kfw s VAL 152 Ca 0.09 -0.47 -0.13 0.00 -2.93 0.00 0.00 61.98 58.54 2kfw s VAL 152 Cb -0.10 -1.14 0.09 0.00 -1.53 0.00 0.00 36.38 33.70 2kfw s VAL 152 CO 0.03 0.18 0.92 1.57 -3.33 0.00 0.00 175.10 174.47 2kfw n HIS 153 N 4.93 -2.17 -3.84 1.54 -0.00 -1.26 -4.88 115.22 109.53 2kfw n HIS 153 Ca -0.11 0.88 0.01 0.00 0.46 0.00 0.00 57.72 58.95 2kfw n HIS 153 Cb 0.48 -3.84 0.01 0.00 -0.12 0.00 0.00 29.99 26.53 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 154 N -1.65 0.60 0.00 1.57 0.00 -1.26 -5.08 105.19 99.37 2kfw n GLY 154 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.02 0.00 0.29 4.61 0.00 -1.26 -4.91 120.51 117.22 2kfw n ALA 155 Ca -0.06 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.54 2kfw n ALA 155 Cb 0.27 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.58 2kfw n ALA 155 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2kfw h HIS 156 N 0.00 0.00 -1.14 0.00 -0.00 -2.02 -2.76 115.15 109.23 2kfw h HIS 156 Ca 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 60.37 60.71 2kfw h HIS 156 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.29 2kfw h HIS 156 CO 0.00 0.06 0.71 -0.44 -0.00 0.00 0.00 177.93 178.26 2kfw h ASP 157 N 0.00 0.39 -2.39 3.26 5.19 -2.01 -3.33 116.42 117.53 2kfw h ASP 157 Ca -0.00 0.13 -0.53 0.00 -0.62 0.00 0.00 57.03 56.01 2kfw h ASP 157 Cb 0.21 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.75 2kfw h ASP 157 CO 0.01 -0.06 1.19 -2.28 -3.12 0.00 0.00 179.24 174.98 2kfw s HIS 158 N -5.46 2.03 -0.86 4.55 2.46 -1.04 -4.88 115.29 112.09 2kfw s HIS 158 Ca -0.09 0.46 -0.03 0.00 0.47 0.00 0.00 55.06 55.87 2kfw s HIS 158 Cb 0.28 -4.33 0.18 0.00 -0.13 0.00 0.00 32.58 28.58 2kfw s HIS 158 CO 0.80 -2.17 2.37 1.58 -2.47 0.00 0.00 174.74 174.85 2kfw n HIS 159 N 10.73 2.33 -3.50 3.88 -0.00 -1.25 -4.82 115.22 122.59 2kfw n HIS 159 Ca 0.13 -2.35 -0.38 0.00 0.46 0.00 0.00 57.72 55.58 2kfw n HIS 159 Cb 0.50 -1.43 -0.04 0.00 -0.12 0.00 0.00 29.99 28.89 2kfw n HIS 159 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kfw n HIS 160 N 0.66 4.33 -0.83 1.57 8.25 -1.26 -4.66 115.22 123.28 2kfw n HIS 160 Ca 0.53 -3.96 0.00 0.00 -0.26 0.00 0.00 57.72 54.03 2kfw n HIS 160 Cb 0.36 -1.27 0.00 0.00 1.12 0.00 0.00 29.99 30.20 2kfw n HIS 160 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kfw n ASP 161 N 2.24 0.26 -4.77 0.41 2.03 -1.26 -5.07 116.55 110.39 2kfw n ASP 161 Ca 0.23 -1.09 -0.38 0.00 0.52 0.00 0.00 54.79 54.06 2kfw n ASP 161 Cb 0.37 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 2kfw n ASP 161 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2kfw s HIS 162 N -0.09 3.84 -0.30 -0.67 -3.43 -1.26 -5.04 115.29 108.34 2kfw s HIS 162 Ca 0.00 1.76 -0.17 0.00 -0.80 0.00 0.00 55.06 55.84 2kfw s HIS 162 Cb 0.00 -2.88 0.18 0.00 -1.43 0.00 0.00 32.58 28.46 2kfw s HIS 162 CO 0.00 0.38 1.16 0.34 -2.00 0.00 0.00 174.74 174.62 2kfw s ASP 163 N -1.37 -0.28 -0.30 7.38 2.15 -1.26 -5.13 116.67 117.86 2kfw s ASP 163 Ca 0.43 0.39 -0.14 0.00 0.43 0.00 0.00 52.55 53.67 2kfw s ASP 163 Cb -0.22 1.29 0.19 0.00 -0.30 0.00 0.00 42.92 43.87 2kfw s ASP 163 CO 0.27 -0.06 1.13 -1.38 -0.17 0.00 0.00 175.17 174.96 2kfw s HIS 164 N 2.04 -0.16 0.88 -5.34 -3.43 -1.26 -5.15 115.29 102.87 2kfw s HIS 164 Ca -0.02 0.06 -0.16 0.00 -0.80 0.00 0.00 55.06 54.14 2kfw s HIS 164 Cb -0.03 0.03 -0.09 0.00 -1.43 0.00 0.00 32.58 31.06 2kfw s HIS 164 CO -0.16 -0.10 -0.21 -0.40 -2.00 0.00 0.00 174.74 171.87 2kfw n ASP 165 N 4.32 -4.02 0.00 7.38 5.68 -1.26 -4.96 116.55 123.69 2kfw n ASP 165 Ca 0.08 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 2kfw n ASP 165 Cb 0.61 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kfw n GLY 166 N 2.59 -0.02 0.00 6.12 0.00 -1.26 -5.12 105.19 107.50 2kfw n GLY 166 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.14 -1.95 3.10 0.00 0.00 -1.26 -5.13 105.19 98.81 2kfw n GLY 169 Ca 0.03 0.59 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 2kfw n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 170 N -0.02 -0.21 0.00 -0.02 0.00 -1.26 -5.10 107.32 100.71 2kfw s GLY 170 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.86 2kfw s GLY 170 CO 0.00 2.15 0.00 1.42 0.00 0.00 0.00 173.10 176.67 2kfw n HIS 171 N 5.37 0.00 -2.24 1.90 8.25 -1.26 -5.12 115.22 122.11 2kfw n HIS 171 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kfw n HIS 171 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2kfw n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 172 N 2.84 3.46 1.58 -1.41 0.00 -1.26 -5.13 105.19 105.27 2kfw n GLY 172 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2kfw n GLY 172 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 173 N 0.00 -4.09 -1.63 1.61 -0.00 -1.26 -4.72 115.22 105.13 2kfw n HIS 173 Ca 0.00 2.13 -0.51 0.00 -0.00 0.00 0.00 57.72 59.34 2kfw n HIS 173 Cb 0.00 -3.36 -0.06 0.00 -0.00 0.00 0.00 29.99 26.58 2kfw n HIS 173 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2kfw n ASP 174 N 0.31 2.23 -4.91 0.26 5.75 -1.26 -4.96 116.55 113.97 2kfw n ASP 174 Ca 0.00 1.09 -0.20 0.00 -0.01 0.00 0.00 54.79 55.67 2kfw n ASP 174 Cb 0.00 -1.25 -0.02 0.00 -1.03 0.00 0.00 41.12 38.81 2kfw n ASP 174 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2kfw s HIS 175 N 1.30 3.00 0.44 2.11 3.76 -1.26 -4.98 115.29 119.65 2kfw s HIS 175 Ca 0.86 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.51 2kfw s HIS 175 Cb -0.89 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 30.94 2kfw s HIS 175 CO 0.48 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.90 2kfw n GLY 176 N -1.47 -4.12 0.00 -2.22 0.00 -1.26 -5.04 105.19 91.08 2kfw n GLY 176 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.49 0.00 -1.35 1.61 -0.00 -1.26 -5.15 115.22 107.58 2kfw n HIS 177 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kfw n HIS 177 Cb 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 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 -0.55 -3.85 0.00 1.57 0.00 -1.26 -4.95 120.64 111.60 2kfw n GLU 178 Ca 0.00 2.83 0.00 0.00 0.00 0.00 0.00 57.16 59.99 2kfw n GLU 178 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 31.44 28.28 2kfw n GLU 178 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2kfw n HIS 179 N -0.49 0.00 -3.85 4.31 1.44 -1.26 -4.93 115.22 110.44 2kfw n HIS 179 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 2kfw n HIS 179 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 2kfw n HIS 179 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2kfw s GLY 180 N 0.00 2.22 0.48 -1.39 0.00 -1.26 -5.10 107.32 102.28 2kfw s GLY 180 Ca 0.00 -3.10 -0.24 0.00 0.00 0.00 0.00 44.72 41.38 2kfw s GLY 180 CO 0.00 1.23 1.42 -0.32 0.00 0.00 0.00 173.10 175.42 2kfw s GLY 181 N -0.22 2.91 0.00 0.20 0.00 -1.26 -5.01 107.32 103.94 2kfw s GLY 181 Ca 0.19 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.36 2kfw s GLY 181 CO -0.03 2.04 0.00 -1.84 0.00 0.00 0.00 173.10 173.27 2kfw n GLU 182 N -0.47 3.80 0.00 2.90 0.28 -1.26 -5.11 120.64 120.78 2kfw n GLU 182 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2kfw n GLU 182 Cb 0.43 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.30 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfw n GLY 183 N 5.00 -0.83 3.73 -1.84 0.00 -1.26 -4.95 105.19 105.04 2kfw n GLY 183 Ca 0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.75 2.63 0.00 0.00 0.00 -1.26 -5.11 105.19 100.69 2kfw n GLY 186 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2kfw n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 187 N 0.00 0.00 1.41 -0.02 0.00 -1.26 -5.13 105.19 100.19 2kfw n GLY 187 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2kfw n GLY 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kfw n LYS 188 N 0.00 -3.37 0.00 1.61 0.00 -1.26 -5.02 118.16 110.12 2kfw n LYS 188 Ca 0.00 2.73 0.00 0.00 0.00 0.00 0.00 58.31 61.04 2kfw n LYS 188 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 35.03 31.27 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kfw n GLY 189 N -3.84 -3.43 1.73 3.14 0.00 -1.26 -5.03 105.19 96.49 2kfw n GLY 189 Ca -0.07 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 2kfw n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kfw n ASN 190 N -0.44 -0.17 0.00 1.61 2.85 -1.26 -5.06 115.26 112.79 2kfw n ASN 190 Ca 0.00 -2.18 0.00 0.00 -0.11 0.00 0.00 54.58 52.29 2kfw n ASN 190 Cb 0.00 0.85 0.00 0.00 1.24 0.00 0.00 39.78 41.87 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfw n GLY 191 N -0.20 5.14 3.97 8.20 0.00 -1.26 -4.81 105.19 116.22 2kfw n GLY 191 Ca 0.03 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 2kfw n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 192 N 0.00 1.55 -0.25 -0.02 0.00 -1.26 -4.72 107.32 102.61 2kfw s GLY 192 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.27 2kfw s GLY 192 CO 0.00 -1.19 0.31 0.00 0.00 0.00 0.00 173.10 172.22 2kfw n GLY 194 N 0.50 -0.02 3.25 0.00 0.00 -1.26 -5.10 105.19 102.56 2kfw n GLY 194 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32