#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 3.51 0.65 3.17 -0.14 -1.26 -4.85 119.74 120.82 2kfw s LYS 2 Ca 0.00 -0.37 -0.17 0.00 -1.36 0.00 0.00 55.97 54.07 2kfw s LYS 2 Cb 0.00 -2.86 -0.06 0.00 -1.68 0.00 0.00 37.83 33.23 2kfw s LYS 2 CO 0.00 0.43 0.59 1.55 -0.76 0.00 0.00 175.35 177.16 2kfw n VAL 3 N -0.59 2.23 -3.79 3.17 3.14 -1.26 -4.88 118.33 116.35 2kfw n VAL 3 Ca -0.05 -0.45 -0.09 0.00 -2.96 0.00 0.00 64.34 60.79 2kfw n VAL 3 Cb 0.54 -0.78 -0.04 0.00 -1.06 0.00 0.00 33.84 32.50 2kfw n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kfw s ALA 4 N -1.79 -0.77 1.29 1.55 0.00 -1.26 -4.51 121.76 116.26 2kfw s ALA 4 Ca 0.68 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 2kfw s ALA 4 Cb -0.39 0.87 0.31 0.00 0.00 0.00 0.00 23.12 23.90 2kfw s ALA 4 CO 0.55 -0.79 0.81 1.17 0.00 0.00 0.00 175.76 177.49 2kfw n LYS 5 N -0.33 -3.40 -4.07 0.00 4.81 -1.26 -3.01 118.16 110.90 2kfw n LYS 5 Ca -0.09 -0.99 -0.34 0.00 -0.87 0.00 0.00 58.31 56.02 2kfw n LYS 5 Cb 0.62 -1.97 -0.07 0.00 0.02 0.00 0.00 35.03 33.63 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2kfw n ASP 6 N -4.73 -0.96 -3.70 3.14 5.68 -0.67 -4.87 116.55 110.43 2kfw n ASP 6 Ca 0.06 -1.06 -0.29 0.00 -0.50 0.00 0.00 54.79 53.00 2kfw n ASP 6 Cb 0.56 -1.35 -0.16 0.00 -1.14 0.00 0.00 41.12 39.03 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2kfw s LEU 7 N -6.39 1.48 0.09 -2.12 2.96 -1.16 -3.68 118.68 109.86 2kfw s LEU 7 Ca 0.53 -1.22 -0.36 0.00 -0.22 0.00 0.00 54.13 52.87 2kfw s LEU 7 Cb -0.31 -0.66 -0.15 0.00 0.50 0.00 0.00 46.19 45.57 2kfw s LEU 7 CO 0.86 -0.37 1.47 0.55 -1.32 0.00 0.00 176.35 177.54 2kfw n VAL 8 N 5.01 0.03 -3.67 1.68 3.14 0.76 -1.91 118.33 123.37 2kfw n VAL 8 Ca -0.06 -0.01 -0.16 0.00 -2.96 0.00 0.00 64.34 61.15 2kfw n VAL 8 Cb 0.44 -1.15 -0.15 0.00 -1.06 0.00 0.00 33.84 31.91 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 0.90 -0.25 -0.48 1.55 1.01 -0.47 -0.63 120.40 122.03 2kfw s VAL 9 Ca 0.83 0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.97 2kfw s VAL 9 Cb -0.84 -0.29 0.06 0.00 0.00 0.00 0.00 36.38 35.30 2kfw s VAL 9 CO 0.44 0.14 0.54 -0.44 0.00 0.00 0.00 175.10 175.78 2kfw s SER 10 N 2.19 6.20 -0.05 3.32 0.01 -1.23 -3.13 113.70 121.02 2kfw s SER 10 Ca 0.02 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2kfw s SER 10 Cb -0.12 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2kfw s SER 10 CO -0.06 -0.78 -0.02 -1.48 0.41 0.00 0.00 173.24 171.31 2kfw s LEU 11 N 2.30 1.13 0.41 2.44 0.05 -1.18 -1.41 118.68 122.41 2kfw s LEU 11 Ca 0.12 -0.10 -0.11 0.00 0.05 0.00 0.00 54.13 54.09 2kfw s LEU 11 Cb -0.20 -0.40 -0.06 0.00 -2.05 0.00 0.00 46.19 43.48 2kfw s LEU 11 CO 0.11 -0.10 0.79 0.00 -0.55 0.00 0.00 176.35 176.60 2kfw s ALA 12 N 1.18 3.33 -0.21 1.48 0.00 -1.06 -3.60 121.76 122.88 2kfw s ALA 12 Ca -0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 2kfw s ALA 12 Cb -0.14 -2.73 0.06 0.00 0.00 0.00 0.00 23.12 20.31 2kfw s ALA 12 CO -0.02 -0.03 0.55 1.52 0.00 0.00 0.00 175.76 177.78 2kfw s TYR 13 N -2.39 -0.65 -0.10 0.00 1.13 -1.23 -1.27 117.35 112.84 2kfw s TYR 13 Ca 0.52 1.52 -0.03 0.00 -1.41 0.00 0.00 57.07 57.67 2kfw s TYR 13 Cb -0.10 0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.98 2kfw s TYR 13 CO 0.31 -0.32 0.01 1.14 -2.51 0.00 0.00 175.55 174.18 2kfw s GLN 14 N 0.56 3.14 -0.02 -3.49 -2.07 -1.04 -1.47 119.66 115.26 2kfw s GLN 14 Ca -0.02 -0.39 0.06 0.00 -1.82 0.00 0.00 55.36 53.18 2kfw s GLN 14 Cb -0.04 -2.86 -0.01 0.00 -1.09 0.00 0.00 33.01 29.00 2kfw s GLN 14 CO -0.03 0.64 -0.20 0.54 -1.32 0.00 0.00 175.29 174.92 2kfw s VAL 15 N -0.70 1.62 -0.01 3.63 0.11 -0.81 -2.18 120.40 122.05 2kfw s VAL 15 Ca 0.11 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 2kfw s VAL 15 Cb -0.12 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.39 2kfw s VAL 15 CO 0.02 0.46 0.03 -0.60 -3.33 0.00 0.00 175.10 171.68 2kfw s ARG 16 N -0.38 0.02 0.33 1.54 3.52 -0.95 -3.10 118.95 119.93 2kfw s ARG 16 Ca 0.05 0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.60 2kfw s ARG 16 Cb -0.09 -0.03 -0.07 0.00 -1.56 0.00 0.00 34.95 33.19 2kfw s ARG 16 CO -0.00 -0.03 0.70 0.95 -0.81 0.00 0.00 175.30 176.10 2kfw s THR 17 N 0.22 4.79 0.31 4.11 -4.23 0.21 -3.10 115.64 117.95 2kfw s THR 17 Ca -0.02 0.68 0.22 0.00 -1.18 0.00 0.00 61.69 61.40 2kfw s THR 17 Cb -0.03 -3.66 0.22 0.00 1.34 0.00 0.00 72.50 70.38 2kfw s THR 17 CO -0.01 -0.29 1.64 -0.08 -0.54 0.00 0.00 174.62 175.35 2kfw h GLU 18 N 1.92 0.00 0.00 3.99 4.81 -1.87 0.20 114.58 123.63 2kfw h GLU 18 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2kfw h GLU 18 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kfw h GLU 18 CO 0.66 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.47 2kfw n ASP 19 N -2.48 0.00 -0.76 1.04 2.03 -1.26 -4.81 116.55 110.31 2kfw n ASP 19 Ca -0.01 -1.56 -0.07 0.00 0.52 0.00 0.00 54.79 53.67 2kfw n ASP 19 Cb 0.32 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.42 0.17 3.30 0.27 0.00 0.70 -5.03 105.19 105.02 2kfw n GLY 20 Ca 0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2kfw n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kfw s VAL 21 N -2.33 1.96 -0.25 1.61 1.01 -1.18 -4.94 120.40 116.27 2kfw s VAL 21 Ca 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 2kfw s VAL 21 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2kfw s VAL 21 CO 0.00 0.46 0.11 -0.22 0.00 0.00 0.00 175.10 175.45 2kfw s LEU 22 N -0.81 3.69 -0.06 3.92 0.20 -1.26 0.65 118.68 125.00 2kfw s LEU 22 Ca 0.10 -0.10 -0.24 0.00 0.69 0.00 0.00 54.13 54.58 2kfw s LEU 22 Cb -0.09 -1.99 -0.26 0.00 -0.43 0.00 0.00 46.19 43.41 2kfw s LEU 22 CO 0.00 -0.01 0.96 0.58 -0.29 0.00 0.00 176.35 177.59 2kfw h VAL 23 N 5.39 1.57 -1.42 1.68 2.07 -1.92 -3.49 116.25 120.13 2kfw h VAL 23 Ca -0.37 -2.20 0.13 0.00 0.82 0.00 0.00 66.70 65.09 2kfw h VAL 23 Cb 1.18 2.98 -0.24 0.00 -1.52 0.00 0.00 31.29 33.68 2kfw h VAL 23 CO 0.59 0.61 0.67 -1.81 0.02 0.00 0.00 177.57 177.64 2kfw s ASP 24 N -6.53 -0.27 0.23 0.57 1.11 -1.26 -5.07 116.67 105.45 2kfw s ASP 24 Ca -0.15 0.29 -0.10 0.00 0.18 0.00 0.00 52.55 52.76 2kfw s ASP 24 Cb 0.00 0.22 -0.01 0.00 1.07 0.00 0.00 42.92 44.20 2kfw s ASP 24 CO 0.77 -0.25 0.39 -1.83 1.18 0.00 0.00 175.17 175.42 2kfw s GLU 25 N -1.13 1.45 -0.18 8.23 4.04 -1.26 -1.92 118.70 127.93 2kfw s GLU 25 Ca 0.02 -1.33 -0.02 0.00 0.04 0.00 0.00 54.97 53.67 2kfw s GLU 25 Cb -0.01 0.42 0.05 0.00 0.02 0.00 0.00 34.13 34.62 2kfw s GLU 25 CO -0.01 -0.58 0.02 -1.12 -1.84 0.00 0.00 175.26 171.73 2kfw s SER 26 N -3.05 2.79 0.84 0.83 0.01 -0.54 -4.89 113.70 109.70 2kfw s SER 26 Ca 0.26 -0.74 -0.12 0.00 1.31 0.00 0.00 55.95 56.66 2kfw s SER 26 Cb 0.01 -0.64 0.10 0.00 0.21 0.00 0.00 66.02 65.70 2kfw s SER 26 CO 0.09 -0.28 1.10 -2.16 0.41 0.00 0.00 173.24 172.40 2kfw s PRO 27 N 1.83 1.73 0.58 12.44 0.04 -1.26 -3.47 135.00 146.88 2kfw s PRO 27 Ca -0.00 0.66 0.29 0.00 0.04 0.00 0.00 61.00 61.99 2kfw s PRO 27 Cb -0.16 -1.88 1.76 0.00 0.04 0.00 0.00 34.50 34.26 2kfw s PRO 27 CO -0.07 -1.87 2.23 -0.24 0.04 0.00 0.00 177.00 177.08 2kfw h VAL 28 N -1.28 0.54 -0.20 -0.36 3.04 -2.00 0.53 116.25 116.53 2kfw h VAL 28 Ca -0.48 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2kfw h VAL 28 Cb 1.28 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2kfw h VAL 28 CO 0.58 0.02 0.00 -0.24 -1.01 0.00 0.00 177.57 176.92 2kfw n SER 29 N -3.82 1.13 -2.74 3.17 2.88 -1.26 -4.22 113.62 108.76 2kfw n SER 29 Ca -0.03 -1.94 -0.09 0.00 -1.33 0.00 0.00 58.87 55.49 2kfw n SER 29 Cb 0.11 -0.13 0.08 0.00 -0.75 0.00 0.00 64.21 63.51 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kfw n ALA 30 N 0.09 -1.02 -1.43 -1.46 0.00 0.17 -5.14 120.51 111.72 2kfw n ALA 30 Ca 0.09 -1.43 -0.30 0.00 0.00 0.00 0.00 53.44 51.79 2kfw n ALA 30 Cb 0.19 -1.24 0.09 0.00 0.00 0.00 0.00 19.45 18.49 2kfw n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kfw s PRO 31 N 0.41 2.24 -0.52 0.00 0.04 -1.18 -4.03 135.00 131.97 2kfw s PRO 31 Ca 0.25 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 2kfw s PRO 31 Cb 0.27 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 33.02 2kfw s PRO 31 CO -0.12 -1.58 0.44 -0.51 0.04 0.00 0.00 177.00 175.28 2kfw s LEU 32 N -5.82 6.00 -0.14 -3.56 2.01 -1.24 -4.89 118.68 111.05 2kfw s LEU 32 Ca 0.60 -1.85 -0.25 0.00 0.01 0.00 0.00 54.13 52.65 2kfw s LEU 32 Cb -0.16 -2.13 -0.02 0.00 0.01 0.00 0.00 46.19 43.89 2kfw s LEU 32 CO 0.55 -0.79 0.81 -1.81 1.01 0.00 0.00 176.35 176.12 2kfw s ASP 33 N 3.23 6.97 0.17 2.29 1.01 -1.26 -3.11 116.67 125.96 2kfw s ASP 33 Ca 0.04 1.18 -0.23 0.00 0.71 0.00 0.00 52.55 54.25 2kfw s ASP 33 Cb -0.28 -2.45 0.06 0.00 1.01 0.00 0.00 42.92 41.26 2kfw s ASP 33 CO 0.01 -0.34 0.67 -0.31 0.21 0.00 0.00 175.17 175.42 2kfw s TYR 34 N 1.85 -0.43 -0.38 4.23 2.02 -1.18 -4.88 117.35 118.57 2kfw s TYR 34 Ca 0.38 0.17 -0.28 0.00 -0.37 0.00 0.00 57.07 56.97 2kfw s TYR 34 Cb -0.17 0.59 -0.02 0.00 -0.40 0.00 0.00 41.96 41.97 2kfw s TYR 34 CO 0.14 -0.90 1.79 -1.17 -1.57 0.00 0.00 175.55 173.84 2kfw s LEU 35 N -2.77 3.48 0.50 -1.29 2.96 -1.26 -1.37 118.68 118.93 2kfw s LEU 35 Ca 0.04 1.10 -0.24 0.00 -0.22 0.00 0.00 54.13 54.82 2kfw s LEU 35 Cb -0.02 -3.33 -0.07 0.00 0.50 0.00 0.00 46.19 43.27 2kfw s LEU 35 CO -0.08 -1.82 1.40 -2.28 -1.32 0.00 0.00 176.35 172.25 2kfw s HIS 36 N 7.22 2.37 0.00 5.38 5.65 -0.80 -2.88 115.29 132.22 2kfw s HIS 36 Ca 0.77 1.31 0.00 0.00 0.25 0.00 0.00 55.06 57.39 2kfw s HIS 36 Cb -0.20 -3.87 0.00 0.00 -1.18 0.00 0.00 32.58 27.33 2kfw s HIS 36 CO 0.31 -2.94 0.00 0.41 -0.65 0.00 0.00 174.74 171.87 2kfw n GLY 37 N 0.65 1.86 2.69 1.59 0.00 -1.26 -1.67 105.19 109.04 2kfw n GLY 37 Ca 0.08 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 2kfw n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 38 N 0.00 2.03 0.08 1.61 0.00 -1.24 -4.87 115.29 112.89 2kfw s HIS 38 Ca 0.00 -2.50 0.00 0.00 -3.00 0.00 0.00 55.06 49.56 2kfw s HIS 38 Cb 0.00 -1.85 0.00 0.00 -4.00 0.00 0.00 32.58 26.73 2kfw s HIS 38 CO 0.00 -0.76 0.00 0.41 -1.00 0.00 0.00 174.74 173.39 2kfw n GLY 39 N 3.31 -0.45 0.00 -1.38 0.00 -1.14 -4.55 105.19 100.98 2kfw n GLY 39 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2kfw n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfw n SER 40 N -2.70 0.00 -2.61 1.61 7.64 -1.26 -4.82 113.62 111.48 2kfw n SER 40 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2kfw n SER 40 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kfw n SER 40 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kfw n LEU 41 N 0.00 0.00 -4.91 -3.43 7.94 -1.26 -5.09 117.00 110.25 2kfw n LEU 41 Ca 0.00 -0.64 -0.32 0.00 -1.11 0.00 0.00 56.01 53.94 2kfw n LEU 41 Cb 0.00 0.01 -0.04 0.00 0.53 0.00 0.00 43.42 43.92 2kfw n LEU 41 CO 0.00 -0.27 -0.09 -0.63 -1.11 0.00 0.00 177.39 175.29 2kfw s ILE 42 N -0.79 5.32 0.10 1.96 1.01 -1.26 -5.00 121.20 122.54 2kfw s ILE 42 Ca 0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 2kfw s ILE 42 Cb -0.00 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2kfw s ILE 42 CO 0.03 0.15 1.63 0.77 0.00 0.00 0.00 174.94 177.52 2kfw h SER 43 N 3.15 0.32 -0.49 3.58 4.64 -1.95 -0.26 113.55 122.54 2kfw h SER 43 Ca -0.46 -0.17 0.06 0.00 -0.47 0.00 0.00 61.79 60.75 2kfw h SER 43 Cb 1.17 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 2kfw h SER 43 CO 0.74 0.40 0.20 1.23 -0.87 0.00 0.00 176.83 178.53 2kfw h GLY 44 N 0.21 0.67 1.35 -0.77 0.00 -1.92 -1.67 103.07 100.94 2kfw h GLY 44 Ca 0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 2kfw h GLY 44 CO -0.01 0.05 -0.12 -2.00 0.00 0.00 0.00 176.54 174.46 2kfw h LEU 45 N 0.40 0.77 -0.60 3.11 6.46 -1.76 -2.69 115.31 121.00 2kfw h LEU 45 Ca 0.23 -0.23 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2kfw h LEU 45 Cb 0.20 -0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 2kfw h LEU 45 CO -0.21 0.91 0.28 -0.08 -0.62 0.00 0.00 178.44 178.72 2kfw h GLU 46 N 0.70 0.49 0.56 1.25 4.81 -0.11 0.12 114.58 122.41 2kfw h GLU 46 Ca 0.12 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2kfw h GLU 46 Cb 0.60 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.88 2kfw h GLU 46 CO 0.04 0.32 -0.27 1.79 -0.73 0.00 0.00 179.01 180.16 2kfw h THR 47 N 0.50 0.13 -0.33 0.32 1.35 -1.29 -2.89 112.91 110.72 2kfw h THR 47 Ca 0.29 -0.44 0.10 0.00 -0.55 0.00 0.00 66.41 65.80 2kfw h THR 47 Cb 0.28 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 2kfw h THR 47 CO -0.24 0.02 0.49 0.00 -0.25 0.00 0.00 175.52 175.55 2kfw h ALA 48 N -1.04 1.96 0.00 6.62 0.00 -1.35 0.46 119.26 125.91 2kfw h ALA 48 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2kfw h ALA 48 Cb 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2kfw h ALA 48 CO 0.13 -0.66 -0.52 -0.07 0.00 0.00 0.00 179.25 178.13 2kfw h LEU 49 N 0.00 0.00 -9.37 0.00 3.38 -0.75 -3.45 115.31 105.12 2kfw h LEU 49 Ca 0.16 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.49 2kfw h LEU 49 Cb 1.14 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.98 2kfw h LEU 49 CO -0.00 0.52 0.26 1.21 0.09 0.00 0.00 178.44 180.51 2kfw n GLU 50 N -3.65 1.24 -2.71 1.13 4.07 0.16 -3.74 120.64 117.14 2kfw n GLU 50 Ca -0.01 0.44 -0.01 0.00 -0.06 0.00 0.00 57.16 57.53 2kfw n GLU 50 Cb 0.58 -1.92 -0.01 0.00 -0.06 0.00 0.00 31.44 30.04 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kfw n GLY 51 N 1.88 -4.45 2.83 8.31 0.00 -1.26 -4.94 105.19 107.56 2kfw n GLY 51 Ca 0.14 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 2kfw n GLY 51 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 52 N -1.52 -0.70 -0.45 1.61 2.46 -1.25 -4.96 115.29 110.47 2kfw s HIS 52 Ca -0.03 0.11 -0.42 0.00 0.47 0.00 0.00 55.06 55.18 2kfw s HIS 52 Cb 0.00 -0.30 -0.17 0.00 -0.13 0.00 0.00 32.58 31.98 2kfw s HIS 52 CO 0.79 -0.92 2.10 -1.91 -2.47 0.00 0.00 174.74 172.33 2kfw n GLU 53 N 5.33 0.31 -1.65 2.88 4.07 -1.26 -4.69 120.64 125.63 2kfw n GLU 53 Ca -0.01 0.09 -0.62 0.00 -0.06 0.00 0.00 57.16 56.56 2kfw n GLU 53 Cb 0.48 -1.76 -0.09 0.00 -0.06 0.00 0.00 31.44 30.01 2kfw n GLU 53 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2kfw n VAL 54 N 6.44 0.05 -0.37 6.31 3.14 -1.26 0.12 118.33 132.76 2kfw n VAL 54 Ca 0.49 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.86 2kfw n VAL 54 Cb 0.03 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 2kfw n VAL 54 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kfw n GLY 55 N 3.14 0.72 3.87 7.55 0.00 0.76 -4.94 105.19 116.31 2kfw n GLY 55 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2kfw n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfw s ASP 56 N -2.70 6.00 -0.03 1.61 -1.08 0.33 -4.89 116.67 115.90 2kfw s ASP 56 Ca 0.00 0.09 0.07 0.00 -0.52 0.00 0.00 52.55 52.18 2kfw s ASP 56 Cb 0.00 -1.73 -0.01 0.00 -1.46 0.00 0.00 42.92 39.72 2kfw s ASP 56 CO 0.00 0.10 -0.23 -1.59 0.52 0.00 0.00 175.17 173.97 2kfw s LYS 57 N -2.89 2.08 0.17 4.34 -2.85 -1.26 -2.35 119.74 116.98 2kfw s LYS 57 Ca 0.33 -0.84 0.07 0.00 -1.00 0.00 0.00 55.97 54.53 2kfw s LYS 57 Cb -0.11 -1.91 -0.04 0.00 -2.06 0.00 0.00 37.83 33.71 2kfw s LYS 57 CO 0.26 0.44 -0.14 0.12 0.10 0.00 0.00 175.35 176.13 2kfw s PHE 58 N -0.37 1.57 -0.20 1.78 5.36 -0.13 -4.93 117.98 121.05 2kfw s PHE 58 Ca 0.04 -0.61 -0.08 0.00 -0.96 0.00 0.00 56.93 55.32 2kfw s PHE 58 Cb -0.11 -0.76 -0.04 0.00 -0.34 0.00 0.00 43.02 41.77 2kfw s PHE 58 CO 0.01 0.26 0.09 -0.51 -1.46 0.00 0.00 175.22 173.61 2kfw s ASP 59 N -3.09 5.76 -0.01 6.13 1.01 -1.26 -0.93 116.67 124.28 2kfw s ASP 59 Ca 0.18 0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.55 2kfw s ASP 59 Cb -0.01 -2.01 -0.00 0.00 1.01 0.00 0.00 42.92 41.91 2kfw s ASP 59 CO 0.05 0.13 -0.08 -0.69 0.21 0.00 0.00 175.17 174.78 2kfw s VAL 60 N 0.65 0.66 -0.26 -1.27 1.01 -0.82 -4.99 120.40 115.38 2kfw s VAL 60 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2kfw s VAL 60 Cb -0.13 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2kfw s VAL 60 CO 0.01 0.19 0.01 0.00 0.00 0.00 0.00 175.10 175.31 2kfw s ALA 61 N -0.13 2.90 -0.28 5.51 0.00 -1.26 -1.95 121.76 126.55 2kfw s ALA 61 Ca 0.02 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 2kfw s ALA 61 Cb -0.04 -1.90 0.12 0.00 0.00 0.00 0.00 23.12 21.31 2kfw s ALA 61 CO -0.00 -0.74 0.61 0.08 0.00 0.00 0.00 175.76 175.71 2kfw s VAL 62 N 1.45 -0.93 0.00 0.00 1.01 -0.61 -4.94 120.40 116.38 2kfw s VAL 62 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2kfw s VAL 62 Cb -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2kfw s VAL 62 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2kfw n GLY 63 N 5.43 -0.05 0.21 4.51 0.00 -1.26 -4.04 105.19 110.00 2kfw n GLY 63 Ca -0.11 0.01 0.15 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 h ALA 64 N 0.18 1.00 0.08 4.61 0.00 -1.88 -1.59 119.26 121.66 2kfw h ALA 64 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2kfw h ALA 64 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kfw h ALA 64 CO 0.00 0.00 -1.23 -0.91 0.00 0.00 0.00 179.25 177.11 2kfw h ASN 65 N 0.00 0.26 0.00 0.00 4.21 -1.97 -3.30 115.58 114.78 2kfw h ASN 65 Ca 0.00 -0.30 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2kfw h ASN 65 Cb 0.11 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2kfw h ASN 65 CO 0.00 1.24 0.00 0.47 -1.29 0.00 0.00 177.43 177.85 2kfw n ASP 66 N -3.44 0.00 0.09 5.81 8.00 -0.66 -4.96 116.55 121.39 2kfw n ASP 66 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2kfw n ASP 66 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfw n ALA 67 N 0.00 2.54 0.00 2.24 0.00 -0.80 -3.25 120.51 121.24 2kfw n ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kfw n ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kfw n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfw n TYR 68 N -3.03 0.00 0.00 0.00 4.01 -1.26 -4.96 117.16 111.93 2kfw n TYR 68 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kfw n TYR 68 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2kfw n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kfw n GLY 69 N 0.72 1.37 1.24 2.72 0.00 -1.26 -5.01 105.19 104.96 2kfw n GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfw n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kfw n GLN 70 N -0.68 -3.19 -1.41 1.61 0.00 -1.24 -4.83 117.38 107.64 2kfw n GLN 70 Ca 0.00 2.37 -0.43 0.00 -0.00 0.00 0.00 57.00 58.94 2kfw n GLN 70 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 30.24 27.75 2kfw n GLN 70 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2kfw n TYR 71 N 0.53 -0.83 -2.62 3.69 9.36 -1.24 -4.78 117.16 121.28 2kfw n TYR 71 Ca 0.00 0.69 -0.43 0.00 3.32 0.00 0.00 57.90 61.48 2kfw n TYR 71 Cb 0.00 -1.94 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 2kfw n TYR 71 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2kfw n ASP 72 N 1.73 4.95 0.20 2.98 8.00 -1.26 -4.73 116.55 128.43 2kfw n ASP 72 Ca 0.13 -2.94 0.06 0.00 0.71 0.00 0.00 54.79 52.75 2kfw n ASP 72 Cb 0.36 -1.69 0.43 0.00 -0.02 0.00 0.00 41.12 40.19 2kfw n ASP 72 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2kfw h GLU 73 N 7.31 0.00 0.00 -1.24 5.08 -1.98 -1.08 114.58 122.67 2kfw h GLU 73 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2kfw h GLU 73 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kfw h GLU 73 CO 1.44 0.32 0.00 -1.71 -1.00 0.00 0.00 179.01 178.06 2kfw n ASN 74 N -3.70 0.00 -3.04 1.42 2.85 -1.26 -4.81 115.26 106.71 2kfw n ASN 74 Ca -0.01 0.10 -0.07 0.00 -0.11 0.00 0.00 54.58 54.50 2kfw n ASN 74 Cb 0.42 -0.20 0.03 0.00 1.24 0.00 0.00 39.78 41.28 2kfw n ASN 74 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kfw n LEU 75 N -1.20 -5.97 -4.54 1.20 4.77 -0.41 -4.73 117.00 106.13 2kfw n LEU 75 Ca 0.03 -0.36 -0.27 0.00 -0.03 0.00 0.00 56.01 55.38 2kfw n LEU 75 Cb 0.03 -3.11 -0.10 0.00 -2.33 0.00 0.00 43.42 37.92 2kfw n LEU 75 CO 0.03 -0.50 1.82 0.55 -1.33 0.00 0.00 177.39 177.96 2kfw n VAL 76 N -2.40 -0.03 -4.01 4.08 3.14 -1.26 -4.82 118.33 113.04 2kfw n VAL 76 Ca -0.03 -0.51 -0.11 0.00 -2.96 0.00 0.00 64.34 60.73 2kfw n VAL 76 Cb 0.55 -1.63 -0.04 0.00 -1.06 0.00 0.00 33.84 31.66 2kfw n VAL 76 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2kfw s GLN 77 N 8.40 1.70 0.01 1.45 0.74 -0.76 -4.88 119.66 126.32 2kfw s GLN 77 Ca 1.09 -1.41 -0.30 0.00 0.05 0.00 0.00 55.36 54.79 2kfw s GLN 77 Cb -0.48 0.47 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 2kfw s GLN 77 CO 0.30 -0.71 1.10 1.03 -0.55 0.00 0.00 175.29 176.45 2kfw s ARG 78 N -3.61 4.47 -0.13 1.67 0.52 -1.26 -2.49 118.95 118.13 2kfw s ARG 78 Ca 0.24 1.60 -0.29 0.00 -0.52 0.00 0.00 55.73 56.76 2kfw s ARG 78 Cb -0.01 -3.43 0.08 0.00 0.52 0.00 0.00 34.95 32.12 2kfw s ARG 78 CO 0.12 -0.20 0.76 0.54 0.02 0.00 0.00 175.30 176.54 2kfw s VAL 79 N 1.22 0.00 0.89 3.52 0.11 0.54 -4.92 120.40 121.76 2kfw s VAL 79 Ca 0.55 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.48 2kfw s VAL 79 Cb -0.25 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.73 2kfw s VAL 79 CO 0.27 0.00 1.11 -2.16 -3.33 0.00 0.00 175.10 170.99 2kfw s PRO 80 N -0.77 1.30 0.00 1.54 0.04 -1.24 -2.25 135.00 133.62 2kfw s PRO 80 Ca -0.07 0.50 0.13 0.00 0.04 0.00 0.00 61.00 61.60 2kfw s PRO 80 Cb -0.01 -1.84 0.62 0.00 0.04 0.00 0.00 34.50 33.31 2kfw s PRO 80 CO 0.06 -2.13 1.33 1.17 0.04 0.00 0.00 177.00 177.47 2kfw n LYS 81 N -3.76 0.15 0.12 4.56 0.00 -1.26 -3.10 118.16 114.87 2kfw n LYS 81 Ca 0.06 0.19 0.20 0.00 0.00 0.00 0.00 58.31 58.76 2kfw n LYS 81 Cb 0.57 -1.50 0.72 0.00 0.00 0.00 0.00 35.03 34.82 2kfw n LYS 81 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kfw h ASP 82 N 0.00 0.00 -0.64 3.14 3.58 -1.97 0.95 116.42 121.48 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 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2kfw h ASP 82 CO 0.00 0.00 0.00 0.52 -2.88 0.00 0.00 179.24 176.88 2kfw n VAL 83 N -3.48 1.03 -3.32 2.25 0.31 -1.18 -4.67 118.33 109.27 2kfw n VAL 83 Ca 0.07 -0.91 -0.43 0.00 -0.01 0.00 0.00 64.34 63.06 2kfw n VAL 83 Cb 0.66 0.36 -0.01 0.00 -0.91 0.00 0.00 33.84 33.94 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 1.33 4.51 -0.34 3.52 3.01 0.33 -4.86 117.46 124.96 2kfw n PHE 84 Ca 0.22 -3.69 0.04 0.00 1.01 0.00 0.00 57.45 55.03 2kfw n PHE 84 Cb 0.61 -1.52 0.19 0.00 -0.01 0.00 0.00 39.48 38.75 2kfw n PHE 84 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 2kfw h MET 85 N 6.25 0.99 -6.23 -1.08 2.86 -1.83 -3.41 114.93 112.48 2kfw h MET 85 Ca 0.18 -0.06 -0.64 0.00 -2.06 0.00 0.00 59.70 57.12 2kfw h MET 85 Cb 0.81 -0.22 -0.10 0.00 0.06 0.00 0.00 31.60 32.14 2kfw h MET 85 CO 1.06 0.65 -0.62 0.20 1.06 0.00 0.00 176.91 179.26 2kfw s GLY 86 N -3.33 1.99 0.00 8.32 0.00 -1.26 -4.97 107.32 108.07 2kfw s GLY 86 Ca -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2kfw s GLY 86 CO 0.80 -1.02 0.00 1.55 0.00 0.00 0.00 173.10 174.44 2kfw n VAL 87 N 0.54 0.00 -1.14 1.40 3.14 -1.26 -4.51 118.33 116.50 2kfw n VAL 87 Ca -0.10 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.21 2kfw n VAL 87 Cb 0.52 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.26 2kfw n VAL 87 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2kfw n ASP 88 N -0.72 -4.96 0.00 6.55 9.92 -1.26 -4.74 116.55 121.35 2kfw n ASP 88 Ca 0.00 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2kfw n ASP 88 Cb 0.00 -3.58 0.00 0.00 -0.64 0.00 0.00 41.12 36.90 2kfw n ASP 88 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kfw n GLU 89 N -0.45 0.00 -2.97 -1.24 1.02 -1.26 -5.10 120.64 110.64 2kfw n GLU 89 Ca -0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.92 2kfw n GLU 89 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.93 2kfw n GLU 89 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2kfw n LEU 90 N 0.00 -1.01 -4.69 -4.62 0.00 -1.26 -4.99 117.00 100.43 2kfw n LEU 90 Ca 0.00 -4.21 -0.42 0.00 0.00 0.00 0.00 56.01 51.38 2kfw n LEU 90 Cb 0.00 0.79 -0.03 0.00 0.00 0.00 0.00 43.42 44.18 2kfw n LEU 90 CO 0.00 2.12 1.40 -1.58 0.00 0.00 0.00 177.39 179.33 2kfw s GLN 91 N -0.73 4.16 -0.44 1.96 0.74 -1.26 -4.82 119.66 119.27 2kfw s GLN 91 Ca 0.32 2.48 -0.45 0.00 0.05 0.00 0.00 55.36 57.76 2kfw s GLN 91 Cb 0.27 -3.54 -0.19 0.00 1.10 0.00 0.00 33.01 30.66 2kfw s GLN 91 CO -0.11 -0.78 1.66 1.55 -0.55 0.00 0.00 175.29 177.06 2kfw n VAL 92 N 4.64 0.08 0.00 1.34 3.14 -1.26 0.19 118.33 126.46 2kfw n VAL 92 Ca 0.17 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2kfw n VAL 92 Cb 0.39 -0.70 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 2kfw n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kfw n GLY 93 N 4.22 3.37 3.69 7.55 0.00 -1.26 -5.03 105.19 117.72 2kfw n GLY 93 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.75 4.40 -0.04 1.61 0.00 0.51 -4.75 119.30 120.28 2kfw s MET 94 Ca 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 55.69 56.97 2kfw s MET 94 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 34.83 31.25 2kfw s MET 94 CO 0.00 -0.31 0.10 -0.98 0.00 0.00 0.00 175.02 173.83 2kfw s ARG 95 N 2.00 3.19 0.06 4.11 1.70 -1.26 -4.48 118.95 124.26 2kfw s ARG 95 Ca 0.46 -0.38 -0.27 0.00 -0.47 0.00 0.00 55.73 55.07 2kfw s ARG 95 Cb -0.18 -2.95 0.09 0.00 -0.57 0.00 0.00 34.95 31.34 2kfw s ARG 95 CO 0.17 0.68 0.98 -0.59 -1.08 0.00 0.00 175.30 175.46 2kfw s PHE 96 N -1.14 -0.20 -0.44 5.89 -0.71 -1.11 -5.03 117.98 115.24 2kfw s PHE 96 Ca 0.21 -0.01 -0.27 0.00 -1.04 0.00 0.00 56.93 55.82 2kfw s PHE 96 Cb -0.12 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2kfw s PHE 96 CO 0.11 -0.64 1.01 -1.17 -1.34 0.00 0.00 175.22 173.20 2kfw s LEU 97 N -2.74 3.86 0.81 -1.99 2.96 -1.26 -3.00 118.68 117.33 2kfw s LEU 97 Ca 0.10 0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 2kfw s LEU 97 Cb -0.01 -3.36 0.08 0.00 0.50 0.00 0.00 46.19 43.41 2kfw s LEU 97 CO -0.03 -1.08 1.13 0.00 -1.32 0.00 0.00 176.35 175.05 2kfw s ALA 98 N 3.95 1.95 -0.26 5.97 0.00 0.96 -4.69 121.76 129.64 2kfw s ALA 98 Ca 0.42 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.88 2kfw s ALA 98 Cb -0.09 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.73 2kfw s ALA 98 CO 0.26 -2.13 -0.01 -1.21 0.00 0.00 0.00 175.76 172.67 2kfw s GLU 99 N -4.62 1.42 0.29 0.00 0.41 -1.26 -0.46 118.70 114.49 2kfw s GLU 99 Ca 0.65 -1.14 0.12 0.00 -0.41 0.00 0.00 54.97 54.19 2kfw s GLU 99 Cb -0.21 -2.58 -0.05 0.00 -1.78 0.00 0.00 34.13 29.51 2kfw s GLU 99 CO 0.54 -0.72 -0.19 0.95 -0.49 0.00 0.00 175.26 175.35 2kfw s THR 100 N 1.36 2.46 0.60 3.63 -4.23 -1.15 -4.09 115.64 114.22 2kfw s THR 100 Ca -0.00 -2.38 0.29 0.00 -1.18 0.00 0.00 61.69 58.41 2kfw s THR 100 Cb -0.19 -2.35 0.36 0.00 1.34 0.00 0.00 72.50 71.67 2kfw s THR 100 CO -0.10 -0.38 1.92 -0.78 -0.54 0.00 0.00 174.62 174.75 2kfw h ASP 101 N 2.24 0.00 -0.23 3.99 1.82 -1.99 0.45 116.42 122.69 2kfw h ASP 101 Ca -0.40 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.22 2kfw h ASP 101 Cb 1.26 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 2kfw h ASP 101 CO 0.61 0.00 0.02 0.00 -1.61 0.00 0.00 179.24 178.27 2kfw n GLN 102 N -3.60 2.37 0.00 0.28 10.64 -1.26 -4.98 117.38 120.84 2kfw n GLN 102 Ca 0.06 -1.18 0.00 0.00 -1.83 0.00 0.00 57.00 54.05 2kfw n GLN 102 Cb 0.58 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kfw n GLY 103 N 0.20 1.64 3.79 2.61 0.00 0.16 -5.00 105.19 108.59 2kfw n GLY 103 Ca 0.12 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.30 3.22 -0.06 1.61 0.04 -1.26 -2.95 135.00 132.30 2kfw s PRO 104 Ca 0.00 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 2kfw s PRO 104 Cb 0.00 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2kfw s PRO 104 CO 0.00 -0.90 0.11 0.14 0.04 0.00 0.00 177.00 176.38 2kfw s VAL 105 N -2.33 -0.13 -0.16 -0.36 -7.23 0.40 -4.92 120.40 105.67 2kfw s VAL 105 Ca 0.66 0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.83 2kfw s VAL 105 Cb -0.18 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.54 2kfw s VAL 105 CO 0.36 0.13 1.36 -2.16 -0.31 0.00 0.00 175.10 174.48 2kfw s PRO 106 N 1.73 4.17 0.06 4.82 0.04 -1.26 -0.03 135.00 144.53 2kfw s PRO 106 Ca -0.02 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 2kfw s PRO 106 Cb -0.12 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 2kfw s PRO 106 CO -0.05 -0.81 0.11 0.14 0.04 0.00 0.00 177.00 176.44 2kfw s VAL 107 N 3.79 0.15 0.23 -0.36 -7.23 -1.16 -4.94 120.40 110.88 2kfw s VAL 107 Ca 0.59 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 2kfw s VAL 107 Cb -0.24 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 2kfw s VAL 107 CO 0.19 -0.69 0.03 -1.61 -0.31 0.00 0.00 175.10 172.71 2kfw s GLU 108 N -3.30 1.31 -0.13 4.82 8.01 -1.25 -2.74 118.70 125.43 2kfw s GLU 108 Ca 0.01 -1.68 -0.00 0.00 0.01 0.00 0.00 54.97 53.31 2kfw s GLU 108 Cb 0.03 -0.43 0.02 0.00 -4.31 0.00 0.00 34.13 29.44 2kfw s GLU 108 CO -0.08 -0.17 -0.11 0.96 0.01 0.00 0.00 175.26 175.88 2kfw s ILE 109 N -3.57 1.29 -0.06 -1.63 -0.00 -1.26 -3.35 121.20 112.62 2kfw s ILE 109 Ca 0.30 -0.46 0.16 0.00 -0.00 0.00 0.00 60.65 60.66 2kfw s ILE 109 Cb 0.07 -1.25 -0.24 0.00 -0.00 0.00 0.00 42.46 41.03 2kfw s ILE 109 CO 0.09 0.41 0.29 1.07 -0.00 0.00 0.00 174.94 176.80 2kfw n THR 110 N 4.85 0.29 -3.57 8.37 5.66 -1.21 -4.13 114.28 124.53 2kfw n THR 110 Ca -0.15 -0.46 -0.09 0.00 -3.05 0.00 0.00 64.05 60.30 2kfw n THR 110 Cb 0.50 -0.07 -0.02 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.96 -1.56 -0.22 1.79 0.00 -1.26 -4.98 121.76 112.57 2kfw s ALA 111 Ca -0.07 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2kfw s ALA 111 Cb 0.09 0.77 0.11 0.00 0.00 0.00 0.00 23.12 24.09 2kfw s ALA 111 CO 0.69 -0.85 0.28 0.54 0.00 0.00 0.00 175.76 176.42 2kfw s VAL 112 N -3.63 -0.43 0.89 0.00 0.11 -1.26 -1.59 120.40 114.49 2kfw s VAL 112 Ca 0.05 -0.11 -0.13 0.00 -2.93 0.00 0.00 61.98 58.86 2kfw s VAL 112 Cb -0.02 -0.74 0.13 0.00 -1.53 0.00 0.00 36.38 34.22 2kfw s VAL 112 CO -0.06 -0.18 1.18 -1.61 -3.33 0.00 0.00 175.10 171.10 2kfw s GLU 113 N 2.41 1.29 0.07 1.54 8.01 0.13 -4.85 118.70 127.30 2kfw s GLU 113 Ca 0.09 0.09 -0.36 0.00 0.01 0.00 0.00 54.97 54.79 2kfw s GLU 113 Cb -0.16 -1.87 -0.16 0.00 -4.31 0.00 0.00 34.13 27.63 2kfw s GLU 113 CO -0.14 -2.06 1.44 -3.47 0.01 0.00 0.00 175.26 171.04 2kfw n ASP 114 N -3.63 2.06 -3.11 -0.19 2.03 -1.26 -0.06 116.55 112.39 2kfw n ASP 114 Ca 0.09 1.10 -0.17 0.00 0.52 0.00 0.00 54.79 56.33 2kfw n ASP 114 Cb 0.60 -1.24 -0.01 0.00 -0.72 0.00 0.00 41.12 39.74 2kfw n ASP 114 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kfw n ASP 115 N 3.03 -2.72 -3.65 1.67 2.03 -1.26 -4.88 116.55 110.77 2kfw n ASP 115 Ca 0.19 -0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.21 2kfw n ASP 115 Cb 0.21 -2.33 -0.07 0.00 -0.72 0.00 0.00 41.12 38.22 2kfw n ASP 115 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kfw s HIS 116 N -2.65 -0.35 0.30 -0.67 3.76 0.91 -4.81 115.29 111.79 2kfw s HIS 116 Ca 0.27 0.46 0.03 0.00 -0.15 0.00 0.00 55.06 55.67 2kfw s HIS 116 Cb -0.15 0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.74 2kfw s HIS 116 CO 0.33 -0.54 0.12 0.08 -0.85 0.00 0.00 174.74 173.88 2kfw s VAL 117 N -1.90 0.54 -0.02 -0.90 1.01 -0.96 -0.69 120.40 117.49 2kfw s VAL 117 Ca -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.90 2kfw s VAL 117 Cb -0.02 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2kfw s VAL 117 CO 0.02 0.00 0.01 -0.69 0.00 0.00 0.00 175.10 174.44 2kfw s VAL 118 N -3.57 0.04 -0.03 2.92 1.01 -0.62 0.20 120.40 120.35 2kfw s VAL 118 Ca 0.35 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2kfw s VAL 118 Cb 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.33 2kfw s VAL 118 CO 0.16 0.08 -0.07 0.54 0.00 0.00 0.00 175.10 175.81 2kfw s VAL 119 N 0.71 0.63 0.25 2.92 0.11 -1.04 -3.36 120.40 120.62 2kfw s VAL 119 Ca -0.06 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 2kfw s VAL 119 Cb -0.09 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2kfw s VAL 119 CO -0.02 0.22 0.14 1.51 -3.33 0.00 0.00 175.10 173.62 2kfw s ASP 120 N 0.46 0.90 0.00 3.54 -4.77 -1.21 -1.84 116.67 113.74 2kfw s ASP 120 Ca -0.06 -1.46 0.00 0.00 -3.30 0.00 0.00 52.55 47.73 2kfw s ASP 120 Cb -0.10 0.33 0.00 0.00 -1.09 0.00 0.00 42.92 42.06 2kfw s ASP 120 CO 0.00 -0.84 0.00 0.61 0.70 0.00 0.00 175.17 175.65 2kfw n GLY 121 N -0.43 0.00 3.74 2.12 0.00 -1.26 -3.75 105.19 105.62 2kfw n GLY 121 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2kfw n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfw s ASN 122 N 0.00 4.34 0.54 1.61 4.22 -1.26 -4.91 114.94 119.47 2kfw s ASN 122 Ca 0.00 -1.20 0.08 0.00 -2.14 0.00 0.00 52.86 49.60 2kfw s ASN 122 Cb 0.00 -0.26 0.06 0.00 1.28 0.00 0.00 41.25 42.33 2kfw s ASN 122 CO 0.00 -0.63 0.66 -1.00 -2.04 0.00 0.00 177.10 174.09 2kfw s HIS 123 N -2.67 1.72 0.64 1.54 3.76 -1.26 -4.94 115.29 114.09 2kfw s HIS 123 Ca 0.35 -0.69 0.24 0.00 -0.15 0.00 0.00 55.06 54.81 2kfw s HIS 123 Cb 0.04 -2.17 1.20 0.00 1.11 0.00 0.00 32.58 32.76 2kfw s HIS 123 CO 0.20 -0.85 1.67 0.00 -0.85 0.00 0.00 174.74 174.90 2kfw h MET 124 N 0.41 0.00 -0.29 1.40 -0.00 -2.04 -3.37 114.93 111.04 2kfw h MET 124 Ca -0.33 0.00 0.22 0.00 -0.00 0.00 0.00 59.70 59.59 2kfw h MET 124 Cb 1.29 0.00 -0.20 0.00 -0.00 0.00 0.00 31.60 32.69 2kfw h MET 124 CO 0.46 0.00 0.04 -1.17 -0.00 0.00 0.00 176.91 176.24 2kfw s LEU 125 N -6.12 -0.45 0.48 -0.10 2.96 -1.26 -5.15 118.68 109.04 2kfw s LEU 125 Ca -0.03 0.14 -0.22 0.00 -0.22 0.00 0.00 54.13 53.80 2kfw s LEU 125 Cb 0.09 1.32 -0.07 0.00 0.50 0.00 0.00 46.19 48.04 2kfw s LEU 125 CO 0.31 -0.08 1.19 0.00 -1.32 0.00 0.00 176.35 176.45 2kfw s ALA 126 N 2.95 2.91 0.00 5.97 0.00 -1.26 -4.05 121.76 128.28 2kfw s ALA 126 Ca 0.15 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2kfw s ALA 126 Cb -0.05 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2kfw s ALA 126 CO -0.18 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2kfw n GLY 127 N 0.45 1.46 2.99 0.00 0.00 -1.26 -4.99 105.19 103.85 2kfw n GLY 127 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.74 4.12 -1.57 1.61 7.27 -1.26 -4.83 117.38 121.97 2kfw n GLN 128 Ca 0.00 -4.20 -0.56 0.00 0.07 0.00 0.00 57.00 52.31 2kfw n GLN 128 Cb 0.00 -2.66 -0.07 0.00 2.41 0.00 0.00 30.24 29.92 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 2.35 1.08 -4.69 1.69 3.02 -1.26 -4.37 115.26 113.07 2kfw n ASN 129 Ca 0.31 1.13 -0.35 0.00 -0.03 0.00 0.00 54.58 55.64 2kfw n ASN 129 Cb 0.35 -1.08 -0.09 0.00 -0.61 0.00 0.00 39.78 38.35 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kfw s LEU 130 N 0.61 3.61 -0.21 3.41 1.02 -1.26 -4.57 118.68 121.30 2kfw s LEU 130 Ca 0.89 0.15 -0.09 0.00 0.02 0.00 0.00 54.13 55.10 2kfw s LEU 130 Cb -1.10 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 43.22 2kfw s LEU 130 CO 0.53 0.37 0.10 -0.75 0.02 0.00 0.00 176.35 176.62 2kfw s LYS 131 N -0.95 4.01 -0.04 1.70 2.20 -1.18 -1.57 119.74 123.92 2kfw s LYS 131 Ca 0.14 -0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.32 2kfw s LYS 131 Cb -0.11 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2kfw s LYS 131 CO 0.03 0.19 0.27 -0.59 -0.36 0.00 0.00 175.35 174.88 2kfw s PHE 132 N 0.65 -0.18 0.18 4.03 -0.12 -0.82 -2.24 117.98 119.47 2kfw s PHE 132 Ca 0.05 0.35 0.03 0.00 -0.05 0.00 0.00 56.93 57.31 2kfw s PHE 132 Cb -0.13 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 2kfw s PHE 132 CO 0.01 -0.29 0.30 -0.80 -0.05 0.00 0.00 175.22 174.39 2kfw s ASN 133 N -0.86 6.28 -0.02 1.98 0.01 -0.93 -1.94 114.94 119.48 2kfw s ASN 133 Ca -0.09 0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.19 2kfw s ASN 133 Cb -0.05 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.76 2kfw s ASN 133 CO 0.02 0.01 -0.03 0.68 -1.51 0.00 0.00 177.10 176.28 2kfw s VAL 134 N -1.82 0.33 -0.15 1.60 -7.23 -0.10 -2.49 120.40 110.53 2kfw s VAL 134 Ca 0.34 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2kfw s VAL 134 Cb -0.10 -0.32 0.03 0.00 0.56 0.00 0.00 36.38 36.54 2kfw s VAL 134 CO 0.28 0.13 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.39 2kfw s GLU 135 N 0.32 2.00 0.15 4.82 2.12 -0.40 -0.95 118.70 126.76 2kfw s GLU 135 Ca -0.03 -0.53 -0.25 0.00 0.36 0.00 0.00 54.97 54.52 2kfw s GLU 135 Cb -0.07 -2.02 -0.08 0.00 0.26 0.00 0.00 34.13 32.22 2kfw s GLU 135 CO -0.00 -0.29 0.76 0.54 -0.54 0.00 0.00 175.26 175.72 2kfw s VAL 136 N 1.54 4.42 -0.08 3.70 0.11 -0.99 -2.56 120.40 126.53 2kfw s VAL 136 Ca 0.04 1.66 0.07 0.00 -2.93 0.00 0.00 61.98 60.82 2kfw s VAL 136 Cb -0.13 -4.12 -0.10 0.00 -1.53 0.00 0.00 36.38 30.50 2kfw s VAL 136 CO -0.10 0.52 0.02 1.33 -3.33 0.00 0.00 175.10 173.55 2kfw n VAL 137 N 1.66 0.58 -3.59 2.04 0.24 -0.50 0.27 118.33 119.03 2kfw n VAL 137 Ca -0.06 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 2kfw n VAL 137 Cb 0.49 -0.78 -0.03 0.00 -1.47 0.00 0.00 33.84 32.04 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 -1.15 -0.28 2.33 0.00 -1.26 -4.37 121.76 114.83 2kfw s ALA 138 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 2kfw s ALA 138 Cb 0.03 0.80 0.13 0.00 0.00 0.00 0.00 23.12 24.07 2kfw s ALA 138 CO 0.34 -0.73 0.29 0.42 0.00 0.00 0.00 175.76 176.08 2kfw s ILE 139 N -3.81 -0.40 0.36 0.00 1.01 -1.25 -3.49 121.20 113.61 2kfw s ILE 139 Ca 0.04 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2kfw s ILE 139 Cb 0.00 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.47 2kfw s ILE 139 CO -0.10 -0.42 0.05 -0.13 0.00 0.00 0.00 174.94 174.34 2kfw s ARG 140 N 2.37 1.76 -0.05 2.79 0.52 0.20 -4.91 118.95 121.62 2kfw s ARG 140 Ca 0.09 -1.99 -0.08 0.00 -0.52 0.00 0.00 55.73 53.23 2kfw s ARG 140 Cb -0.14 -1.06 -0.05 0.00 0.52 0.00 0.00 34.95 34.22 2kfw s ARG 140 CO -0.29 -0.18 0.23 -1.83 0.02 0.00 0.00 175.30 173.25 2kfw s GLU 141 N -3.84 3.56 0.57 3.54 -1.05 -1.26 0.27 118.70 120.50 2kfw s GLU 141 Ca 0.35 -0.03 -0.09 0.00 -0.15 0.00 0.00 54.97 55.05 2kfw s GLU 141 Cb 0.09 -3.16 -0.03 0.00 -0.44 0.00 0.00 34.13 30.58 2kfw s GLU 141 CO 0.16 0.72 0.94 0.00 0.95 0.00 0.00 175.26 178.03 2kfw s ALA 142 N -1.13 3.21 1.08 -0.84 0.00 -1.24 -4.78 121.76 118.06 2kfw s ALA 142 Ca 0.21 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 2kfw s ALA 142 Cb -0.13 -2.89 0.15 0.00 0.00 0.00 0.00 23.12 20.26 2kfw s ALA 142 CO 0.10 -0.59 0.68 2.41 0.00 0.00 0.00 175.76 178.35 2kfw n THR 143 N -2.58 0.00 -0.12 0.00 -1.04 -1.26 -4.60 114.28 104.68 2kfw n THR 143 Ca 0.04 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.05 61.59 2kfw n THR 143 Cb 0.55 -1.37 0.01 0.00 -1.82 0.00 0.00 70.33 67.69 2kfw n THR 143 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2kfw h GLU 144 N 0.00 0.46 -0.20 -2.82 3.07 -1.98 -0.78 114.58 112.33 2kfw h GLU 144 Ca -0.24 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.43 2kfw h GLU 144 Cb 0.70 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2kfw h GLU 144 CO 0.16 0.30 -0.53 1.49 -1.40 0.00 0.00 179.01 179.03 2kfw h GLU 145 N 0.47 0.58 -0.66 2.33 4.81 -1.97 0.14 114.58 120.28 2kfw h GLU 145 Ca 0.15 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2kfw h GLU 145 Cb -0.01 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2kfw h GLU 145 CO -0.06 0.97 0.35 0.93 -0.73 0.00 0.00 179.01 180.47 2kfw h GLU 146 N 0.45 0.93 0.00 1.92 3.07 -1.65 -2.35 114.58 116.96 2kfw h GLU 146 Ca 0.01 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 2kfw h GLU 146 Cb 1.08 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 2kfw h GLU 146 CO 0.10 0.71 -0.50 -0.07 -1.40 0.00 0.00 179.01 177.85 2kfw h LEU 147 N 0.91 0.00 -0.16 1.33 3.38 -1.09 1.33 115.31 121.01 2kfw h LEU 147 Ca 0.23 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2kfw h LEU 147 Cb 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2kfw h LEU 147 CO -0.04 0.33 -0.24 0.00 0.09 0.00 0.00 178.44 178.58 2kfw h ALA 148 N 1.67 -0.20 -0.01 1.53 0.00 -0.17 -2.27 119.26 119.81 2kfw h ALA 148 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kfw h ALA 148 Cb 1.27 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2kfw h ALA 148 CO 0.04 -0.70 -0.55 0.72 0.00 0.00 0.00 179.25 178.76 2kfw n HIS 149 N -5.37 0.00 -1.47 0.00 8.25 -1.17 -4.98 115.22 110.47 2kfw n HIS 149 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2kfw n HIS 149 Cb 0.29 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 1.43 0.63 3.49 -1.41 0.00 -0.75 -4.92 105.19 103.66 2kfw n GLY 150 Ca 0.08 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2kfw n GLY 150 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 151 N -2.98 -0.61 -0.08 1.61 -3.43 0.45 -4.38 115.29 105.87 2kfw s HIS 151 Ca 0.00 0.84 0.02 0.00 -0.80 0.00 0.00 55.06 55.11 2kfw s HIS 151 Cb 0.00 0.46 0.02 0.00 -1.43 0.00 0.00 32.58 31.63 2kfw s HIS 151 CO 0.00 -0.68 -0.12 0.54 -2.00 0.00 0.00 174.74 172.48 2kfw s VAL 152 N -2.06 1.20 -0.07 -5.38 0.11 -1.26 -4.14 120.40 108.80 2kfw s VAL 152 Ca -0.06 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.44 2kfw s VAL 152 Cb -0.00 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 2kfw s VAL 152 CO 0.02 0.38 0.11 1.57 -3.33 0.00 0.00 175.10 173.84 2kfw n HIS 153 N 4.09 -3.28 0.00 1.54 -0.00 -1.26 -4.89 115.22 111.42 2kfw n HIS 153 Ca -0.20 1.93 0.00 0.00 0.46 0.00 0.00 57.72 59.91 2kfw n HIS 153 Cb 0.51 -3.04 0.00 0.00 -0.12 0.00 0.00 29.99 27.34 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 1.95 -0.56 2.99 1.57 0.00 -1.26 -5.08 105.19 104.80 2kfw n GLY 154 Ca -0.18 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.29 -2.86 -0.19 4.61 0.00 -1.26 -4.86 120.51 115.67 2kfw n ALA 155 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 53.44 54.30 2kfw n ALA 155 Cb 0.00 -3.37 0.03 0.00 0.00 0.00 0.00 19.45 16.12 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 1.90 1.13 0.00 0.00 2.76 -2.03 -2.82 115.15 116.09 2kfw h HIS 156 Ca -0.11 -0.22 -0.10 0.00 -2.20 0.00 0.00 60.37 57.75 2kfw h HIS 156 Cb 1.08 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 2kfw h HIS 156 CO 0.09 1.03 -0.46 0.22 -1.30 0.00 0.00 177.93 177.51 2kfw h ASP 157 N 0.92 0.00 -0.24 3.26 3.58 -2.03 -3.33 116.42 118.59 2kfw h ASP 157 Ca 0.15 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.63 2kfw h ASP 157 Cb 0.63 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.62 2kfw h ASP 157 CO 0.04 0.46 -0.42 -0.74 -2.88 0.00 0.00 179.24 175.71 2kfw h HIS 158 N 0.00 -1.27 0.00 0.28 -0.00 -1.83 -3.05 115.15 109.28 2kfw h HIS 158 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2kfw h HIS 158 Cb 1.13 0.59 0.00 0.00 -0.00 0.00 0.00 27.41 29.13 2kfw h HIS 158 CO 0.00 -0.39 0.00 0.72 -0.00 0.00 0.00 177.93 178.26 2kfw n HIS 159 N -4.72 0.00 -3.44 5.26 8.25 -1.25 -4.87 115.22 114.45 2kfw n HIS 159 Ca -0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.10 2kfw n HIS 159 Cb 0.27 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.18 2kfw n HIS 159 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kfw n HIS 160 N -1.65 -2.76 0.01 4.41 -0.00 -1.16 -4.90 115.22 109.17 2kfw n HIS 160 Ca 0.00 1.14 -0.21 0.00 0.46 0.00 0.00 57.72 59.12 2kfw n HIS 160 Cb 0.00 -2.25 -0.14 0.00 -0.12 0.00 0.00 29.99 27.48 2kfw n HIS 160 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2kfw h ASP 161 N 1.82 0.36 -2.61 0.26 3.32 -1.92 -3.47 116.42 114.18 2kfw h ASP 161 Ca -0.49 -0.87 -0.37 0.00 0.02 0.00 0.00 57.03 55.33 2kfw h ASP 161 Cb 1.35 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.72 2kfw h ASP 161 CO 0.24 1.50 -0.43 1.41 -1.72 0.00 0.00 179.24 180.24 2kfw n HIS 162 N -4.06 -0.83 0.08 4.55 8.25 -1.26 -4.73 115.22 117.22 2kfw n HIS 162 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2kfw n HIS 162 Cb 0.84 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.47 2kfw n HIS 162 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kfw n ASP 163 N -1.69 0.10 -4.10 0.41 2.03 -1.26 -5.00 116.55 107.04 2kfw n ASP 163 Ca -0.21 0.26 -0.36 0.00 0.52 0.00 0.00 54.79 55.00 2kfw n ASP 163 Cb 0.65 0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 41.08 2kfw n ASP 163 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2kfw s HIS 164 N -2.00 3.46 -0.17 -0.67 2.46 -1.26 -5.04 115.29 112.07 2kfw s HIS 164 Ca 0.00 -2.62 -0.09 0.00 0.47 0.00 0.00 55.06 52.82 2kfw s HIS 164 Cb 0.00 -3.21 0.06 0.00 -0.13 0.00 0.00 32.58 29.30 2kfw s HIS 164 CO 0.00 -0.88 0.42 0.16 -2.47 0.00 0.00 174.74 171.97 2kfw s ASP 165 N 1.03 -0.52 0.00 9.88 1.47 -1.26 -4.95 116.67 122.33 2kfw s ASP 165 Ca 0.14 0.91 0.00 0.00 1.18 0.00 0.00 52.55 54.78 2kfw s ASP 165 Cb -0.21 0.81 0.00 0.00 -0.34 0.00 0.00 42.92 43.18 2kfw s ASP 165 CO -0.04 -0.20 0.00 0.61 0.68 0.00 0.00 175.17 176.23 2kfw n GLY 166 N 4.31 0.92 3.91 2.12 0.00 -1.26 -5.12 105.19 110.08 2kfw n GLY 166 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.89 0.46 0.00 0.00 0.00 -1.26 -4.93 105.19 95.57 2kfw n GLY 169 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 2.85 -0.02 0.00 -1.26 -5.15 105.19 101.61 2kfw n GLY 170 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2kfw n GLY 170 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 171 N 0.00 1.05 0.00 1.61 5.04 -1.26 -5.11 115.29 116.62 2kfw s HIS 171 Ca 0.00 -0.42 0.00 0.00 -1.54 0.00 0.00 55.06 53.10 2kfw s HIS 171 Cb 0.00 -0.98 0.00 0.00 0.04 0.00 0.00 32.58 31.64 2kfw s HIS 171 CO 0.00 -0.39 0.00 0.41 -2.34 0.00 0.00 174.74 172.42 2kfw n GLY 172 N 4.89 4.31 2.72 1.59 0.00 -1.26 -5.11 105.19 112.33 2kfw n GLY 172 Ca -0.12 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.71 -2.64 1.61 -0.00 -1.26 -4.97 115.22 105.25 2kfw n HIS 173 Ca 0.00 -2.06 -0.00 0.00 0.46 0.00 0.00 57.72 56.12 2kfw n HIS 173 Cb 0.00 1.62 0.05 0.00 -0.12 0.00 0.00 29.99 31.53 2kfw n HIS 173 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2kfw n ASP 174 N -0.01 0.54 -4.27 0.26 5.75 -1.26 -5.10 116.55 112.46 2kfw n ASP 174 Ca 0.03 -2.05 -0.22 0.00 -0.01 0.00 0.00 54.79 52.53 2kfw n ASP 174 Cb 0.76 -0.11 -0.12 0.00 -1.03 0.00 0.00 41.12 40.61 2kfw n ASP 174 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2kfw s HIS 175 N -1.70 1.66 0.53 2.11 2.46 -1.26 -5.11 115.29 113.97 2kfw s HIS 175 Ca 0.22 -0.45 -0.20 0.00 0.47 0.00 0.00 55.06 55.10 2kfw s HIS 175 Cb 0.33 -0.89 -0.08 0.00 -0.13 0.00 0.00 32.58 31.81 2kfw s HIS 175 CO -0.08 0.19 0.83 0.41 -2.47 0.00 0.00 174.74 173.62 2kfw n GLY 176 N 0.94 -0.68 3.63 1.59 0.00 -1.26 -4.92 105.19 104.50 2kfw n GLY 176 Ca -0.18 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2kfw n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 177 N -1.50 3.30 -0.30 1.61 0.09 -1.26 -5.00 115.29 112.24 2kfw s HIS 177 Ca 0.69 0.73 -0.18 0.00 -0.00 0.00 0.00 55.06 56.31 2kfw s HIS 177 Cb -0.48 -2.74 0.18 0.00 -0.00 0.00 0.00 32.58 29.55 2kfw s HIS 177 CO 0.52 -0.24 1.23 -1.83 -0.00 0.00 0.00 174.74 174.43 2kfw s GLU 178 N 2.16 0.06 -0.02 1.40 4.04 -1.26 -5.17 118.70 119.91 2kfw s GLU 178 Ca 0.24 0.14 -0.05 0.00 0.04 0.00 0.00 54.97 55.34 2kfw s GLU 178 Cb -0.16 0.08 0.01 0.00 0.02 0.00 0.00 34.13 34.08 2kfw s GLU 178 CO 0.09 -0.04 0.12 -1.58 -1.84 0.00 0.00 175.26 172.01 2kfw s HIS 179 N 2.43 -0.04 0.00 4.83 2.46 -1.26 -5.10 115.29 118.61 2kfw s HIS 179 Ca -0.03 0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.60 2kfw s HIS 179 Cb -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.40 2kfw s HIS 179 CO -0.13 -0.15 0.00 0.41 -2.47 0.00 0.00 174.74 172.40 2kfw n GLY 180 N 2.35 -0.78 0.04 1.59 0.00 -1.26 -4.61 105.19 102.52 2kfw n GLY 180 Ca -0.17 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 -0.48 3.37 -0.02 0.00 -1.26 -5.09 105.19 101.70 2kfw n GLY 181 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2kfw n GLY 181 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kfw n GLU 182 N -0.22 -0.02 -2.64 1.61 4.07 -1.26 -4.95 120.64 117.24 2kfw n GLU 182 Ca 0.01 0.03 -0.04 0.00 -0.06 0.00 0.00 57.16 57.10 2kfw n GLU 182 Cb 0.44 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kfw n GLY 183 N 1.89 -0.46 5.28 8.31 0.00 -1.26 -5.06 105.19 113.90 2kfw n GLY 183 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.96 -0.98 0.00 0.00 0.00 -1.26 -5.17 105.19 94.82 2kfw n GLY 186 Ca -0.03 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.17 0.00 -0.02 0.00 -1.26 -4.94 105.19 98.80 2kfw n GLY 187 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 2.75 0.00 1.61 4.81 -1.26 -5.05 118.16 121.02 2kfw n LYS 188 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2kfw n LYS 188 Cb 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 35.03 34.19 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kfw n GLY 189 N 1.79 -2.01 1.47 3.14 0.00 -1.26 -5.16 105.19 103.16 2kfw n GLY 189 Ca -0.00 0.65 0.20 0.00 0.00 0.00 0.00 46.02 46.87 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 0.00 -8.78 0.00 1.61 2.85 -1.26 -4.81 115.26 104.87 2kfw n ASN 190 Ca 0.00 0.74 0.00 0.00 -0.11 0.00 0.00 54.58 55.21 2kfw n ASN 190 Cb 0.00 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 36.46 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 -4.32 -2.12 7.00 8.20 0.00 -1.26 -4.63 105.19 108.06 2kfw n GLY 191 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.34 0.79 3.54 -0.02 0.00 -1.26 -4.71 105.19 104.87 2kfw n GLY 192 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 0.13 1.32 0.00 0.00 0.00 -1.26 -5.05 105.19 100.33 2kfw n GLY 194 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32