#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw s LYS 2 N 0.00 1.29 0.24 2.12 -2.85 -1.26 -4.73 119.74 114.55 2kfw s LYS 2 Ca 0.00 -1.39 -0.31 0.00 -1.00 0.00 0.00 55.97 53.27 2kfw s LYS 2 Cb 0.00 -1.42 -0.12 0.00 -2.06 0.00 0.00 37.83 34.23 2kfw s LYS 2 CO 0.00 0.30 1.59 0.28 0.10 0.00 0.00 175.35 177.61 2kfw n VAL 3 N 0.42 0.63 -3.87 1.79 0.31 -1.26 -4.77 118.33 111.57 2kfw n VAL 3 Ca -0.14 -0.16 -0.11 0.00 -0.01 0.00 0.00 64.34 63.93 2kfw n VAL 3 Cb 0.56 -1.81 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 2kfw n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw n ALA 4 N 2.70 -0.72 -0.34 3.52 0.00 -1.26 -2.70 120.51 121.72 2kfw n ALA 4 Ca 0.12 -1.27 -0.30 0.00 0.00 0.00 0.00 53.44 51.99 2kfw n ALA 4 Cb 0.34 1.02 0.29 0.00 0.00 0.00 0.00 19.45 21.10 2kfw n ALA 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kfw s LYS 5 N -2.46 -2.77 -0.53 0.00 2.20 -1.26 -2.92 119.74 112.01 2kfw s LYS 5 Ca 0.21 0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 56.04 2kfw s LYS 5 Cb -0.02 -1.38 0.06 0.00 -1.51 0.00 0.00 37.83 34.97 2kfw s LYS 5 CO 0.15 -4.80 0.16 -3.47 -0.36 0.00 0.00 175.35 167.02 2kfw n ASP 6 N -5.60 -1.42 -3.56 1.43 2.03 -1.26 -4.85 116.55 103.31 2kfw n ASP 6 Ca 0.11 0.05 -0.23 0.00 0.52 0.00 0.00 54.79 55.24 2kfw n ASP 6 Cb 0.59 -1.32 -0.15 0.00 -0.72 0.00 0.00 41.12 39.52 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kfw s LEU 7 N -5.60 0.18 0.16 -2.67 2.01 -1.15 -2.98 118.68 108.64 2kfw s LEU 7 Ca 0.21 -0.50 -0.32 0.00 0.01 0.00 0.00 54.13 53.53 2kfw s LEU 7 Cb -0.12 -0.01 -0.10 0.00 0.01 0.00 0.00 46.19 45.97 2kfw s LEU 7 CO 0.25 -0.35 1.62 0.68 1.01 0.00 0.00 176.35 179.57 2kfw s VAL 8 N 2.21 2.56 -0.20 -1.59 -7.23 0.79 -3.67 120.40 113.27 2kfw s VAL 8 Ca 0.04 0.35 0.01 0.00 -1.81 0.00 0.00 61.98 60.57 2kfw s VAL 8 Cb -0.16 -3.23 0.04 0.00 0.56 0.00 0.00 36.38 33.59 2kfw s VAL 8 CO -0.12 0.02 -0.12 0.68 -0.31 0.00 0.00 175.10 175.25 2kfw s VAL 9 N 1.41 1.76 -0.53 1.32 -7.23 0.09 -1.26 120.40 115.95 2kfw s VAL 9 Ca 0.72 -1.03 -0.23 0.00 -1.81 0.00 0.00 61.98 59.63 2kfw s VAL 9 Cb -0.44 -1.78 0.04 0.00 0.56 0.00 0.00 36.38 34.76 2kfw s VAL 9 CO 0.32 0.23 0.84 -0.44 -0.31 0.00 0.00 175.10 175.73 2kfw s SER 10 N 1.35 6.31 -0.10 4.85 0.01 -1.16 -2.85 113.70 122.12 2kfw s SER 10 Ca -0.01 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 2kfw s SER 10 Cb -0.16 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.71 2kfw s SER 10 CO -0.09 -1.10 -0.03 -0.22 0.41 0.00 0.00 173.24 172.21 2kfw s LEU 11 N 3.51 0.88 0.16 2.44 0.20 -0.98 0.25 118.68 125.13 2kfw s LEU 11 Ca 0.26 -0.22 -0.14 0.00 0.69 0.00 0.00 54.13 54.72 2kfw s LEU 11 Cb -0.14 -0.62 -0.07 0.00 -0.43 0.00 0.00 46.19 44.93 2kfw s LEU 11 CO 0.17 -0.17 0.55 0.00 -0.29 0.00 0.00 176.35 176.62 2kfw s ALA 12 N 1.85 3.57 0.04 5.97 0.00 -1.14 -3.37 121.76 128.69 2kfw s ALA 12 Ca 0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 2kfw s ALA 12 Cb -0.13 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.49 2kfw s ALA 12 CO -0.07 0.46 0.21 1.52 0.00 0.00 0.00 175.76 177.89 2kfw s TYR 13 N -1.53 0.02 -0.12 0.00 -0.85 -1.25 -2.11 117.35 111.51 2kfw s TYR 13 Ca 0.40 -0.22 0.03 0.00 -0.52 0.00 0.00 57.07 56.76 2kfw s TYR 13 Cb -0.14 -0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.20 2kfw s TYR 13 CO 0.19 -0.44 -0.21 1.14 -1.52 0.00 0.00 175.55 174.72 2kfw s GLN 14 N -2.49 2.79 0.07 -3.49 0.00 -1.09 -1.49 119.66 113.96 2kfw s GLN 14 Ca -0.06 -0.78 0.06 0.00 -0.00 0.00 0.00 55.36 54.58 2kfw s GLN 14 Cb -0.01 -2.22 -0.04 0.00 0.00 0.00 0.00 33.01 30.74 2kfw s GLN 14 CO -0.03 0.04 -0.07 0.54 0.00 0.00 0.00 175.29 175.76 2kfw s VAL 15 N 0.69 3.55 -0.09 3.63 0.11 -0.79 -2.56 120.40 124.93 2kfw s VAL 15 Ca -0.11 -1.07 -0.10 0.00 -2.93 0.00 0.00 61.98 57.77 2kfw s VAL 15 Cb -0.16 -2.63 0.03 0.00 -1.53 0.00 0.00 36.38 32.09 2kfw s VAL 15 CO 0.02 0.20 0.28 -0.60 -3.33 0.00 0.00 175.10 171.67 2kfw s ARG 16 N -1.97 0.37 0.40 1.54 3.52 -0.66 -2.95 118.95 119.20 2kfw s ARG 16 Ca 0.21 0.31 -0.16 0.00 -0.13 0.00 0.00 55.73 55.96 2kfw s ARG 16 Cb -0.11 0.18 -0.09 0.00 -1.56 0.00 0.00 34.95 33.37 2kfw s ARG 16 CO 0.12 -0.06 0.85 0.95 -0.81 0.00 0.00 175.30 176.36 2kfw s THR 17 N -0.05 4.60 0.53 4.11 -4.23 0.19 -3.11 115.64 117.67 2kfw s THR 17 Ca -0.02 1.07 0.24 0.00 -1.18 0.00 0.00 61.69 61.80 2kfw s THR 17 Cb -0.03 -3.65 0.37 0.00 1.34 0.00 0.00 72.50 70.53 2kfw s THR 17 CO 0.01 -0.39 2.03 -0.08 -0.54 0.00 0.00 174.62 175.65 2kfw h GLU 18 N 1.70 0.00 0.00 3.99 4.81 -1.88 0.15 114.58 123.36 2kfw h GLU 18 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 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 0.63 0.00 0.03 -0.25 -0.73 0.00 0.00 179.01 178.69 2kfw n ASP 19 N -4.36 0.40 -0.00 1.04 9.92 -1.26 -4.75 116.55 117.54 2kfw n ASP 19 Ca 0.07 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 2kfw n ASP 19 Cb 0.49 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 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 -1.34 1.73 3.37 0.44 0.00 0.52 -5.10 105.19 104.81 2kfw n GLY 20 Ca -0.01 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 2.15 -0.30 1.61 1.01 -1.18 -4.94 120.40 116.75 2kfw s VAL 21 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 2kfw s VAL 21 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2kfw s VAL 21 CO 0.00 -0.00 0.19 -0.22 0.00 0.00 0.00 175.10 175.07 2kfw s LEU 22 N -2.19 4.11 -0.03 3.92 1.98 -1.26 0.53 118.68 125.75 2kfw s LEU 22 Ca 0.14 -0.17 -0.22 0.00 -2.89 0.00 0.00 54.13 50.98 2kfw s LEU 22 Cb -0.09 -2.10 -0.24 0.00 0.66 0.00 0.00 46.19 44.42 2kfw s LEU 22 CO 0.06 -0.11 1.05 0.58 -1.89 0.00 0.00 176.35 176.04 2kfw h VAL 23 N 5.44 1.50 -1.23 1.68 2.07 -1.89 -3.48 116.25 120.33 2kfw h VAL 23 Ca -0.34 -2.04 0.19 0.00 0.82 0.00 0.00 66.70 65.33 2kfw h VAL 23 Cb 1.18 2.73 -0.26 0.00 -1.52 0.00 0.00 31.29 33.41 2kfw h VAL 23 CO 0.58 0.57 0.82 -0.62 0.02 0.00 0.00 177.57 178.94 2kfw s ASP 24 N -6.53 -0.15 -0.09 0.57 -1.08 -1.25 -5.06 116.67 103.08 2kfw s ASP 24 Ca -0.15 0.16 -0.12 0.00 -0.52 0.00 0.00 52.55 51.92 2kfw s ASP 24 Cb 0.02 0.12 0.03 0.00 -1.46 0.00 0.00 42.92 41.63 2kfw s ASP 24 CO 0.78 -0.14 0.32 -1.83 0.52 0.00 0.00 175.17 174.82 2kfw s GLU 25 N -1.07 0.46 0.43 4.34 1.03 -1.26 -1.89 118.70 120.74 2kfw s GLU 25 Ca 0.05 0.26 -0.21 0.00 0.03 0.00 0.00 54.97 55.10 2kfw s GLU 25 Cb -0.01 0.21 -0.11 0.00 -0.80 0.00 0.00 34.13 33.43 2kfw s GLU 25 CO -0.05 -0.08 0.96 0.45 -1.33 0.00 0.00 175.26 175.21 2kfw s SER 26 N -0.27 6.90 0.18 0.83 0.15 -0.56 -4.98 113.70 115.96 2kfw s SER 26 Ca -0.04 1.73 -0.30 0.00 0.70 0.00 0.00 55.95 58.04 2kfw s SER 26 Cb -0.03 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 2kfw s SER 26 CO 0.01 -0.38 1.20 -2.16 1.20 0.00 0.00 173.24 173.11 2kfw s PRO 27 N -3.11 4.49 0.58 5.44 0.04 -1.25 -4.66 135.00 136.53 2kfw s PRO 27 Ca 0.62 1.88 0.32 0.00 0.04 0.00 0.00 61.00 63.85 2kfw s PRO 27 Cb -0.10 -3.24 1.79 0.00 0.04 0.00 0.00 34.50 32.98 2kfw s PRO 27 CO 0.15 -0.10 2.21 -0.39 0.04 0.00 0.00 177.00 178.90 2kfw h VAL 28 N 3.78 0.43 -0.01 -0.36 -1.51 -2.00 0.05 116.25 116.64 2kfw h VAL 28 Ca -0.44 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2kfw h VAL 28 Cb 1.21 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2kfw h VAL 28 CO 0.75 0.04 -0.01 -1.20 -1.23 0.00 0.00 177.57 175.92 2kfw n SER 29 N -3.62 1.02 -3.22 4.19 7.64 -1.26 -4.60 113.62 113.77 2kfw n SER 29 Ca -0.02 -1.32 -0.01 0.00 1.01 0.00 0.00 58.87 58.52 2kfw n SER 29 Cb 0.14 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kfw s ALA 30 N -2.01 -2.11 0.65 -0.43 0.00 0.00 -5.15 121.76 112.72 2kfw s ALA 30 Ca 0.41 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 2kfw s ALA 30 Cb 0.21 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2kfw s ALA 30 CO 0.35 -2.09 1.07 -1.25 0.00 0.00 0.00 175.76 173.84 2kfw s PRO 31 N 2.08 3.00 -0.44 0.00 0.04 -1.24 -3.79 135.00 134.66 2kfw s PRO 31 Ca 0.14 1.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 2kfw s PRO 31 Cb -0.07 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2kfw s PRO 31 CO -0.13 -1.06 1.50 -1.17 0.04 0.00 0.00 177.00 176.18 2kfw s LEU 32 N -4.99 3.51 -0.57 -3.56 2.96 -1.22 -4.70 118.68 110.12 2kfw s LEU 32 Ca 0.62 0.75 -0.23 0.00 -0.22 0.00 0.00 54.13 55.06 2kfw s LEU 32 Cb -0.16 -3.37 0.05 0.00 0.50 0.00 0.00 46.19 43.21 2kfw s LEU 32 CO 0.44 -1.60 0.89 -1.81 -1.32 0.00 0.00 176.35 172.96 2kfw s ASP 33 N 4.64 6.28 0.13 3.68 1.01 -1.26 -2.33 116.67 128.82 2kfw s ASP 33 Ca 0.63 -0.59 -0.03 0.00 0.71 0.00 0.00 52.55 53.27 2kfw s ASP 33 Cb -0.14 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2kfw s ASP 33 CO 0.30 -1.22 0.09 -0.31 0.21 0.00 0.00 175.17 174.25 2kfw s TYR 34 N 3.75 0.71 0.99 4.23 2.02 -1.13 -4.79 117.35 123.13 2kfw s TYR 34 Ca 0.26 -1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 55.73 2kfw s TYR 34 Cb -0.15 -0.38 0.18 0.00 -0.40 0.00 0.00 41.96 41.22 2kfw s TYR 34 CO 0.16 -0.54 1.09 -0.51 -1.57 0.00 0.00 175.55 174.17 2kfw s LEU 35 N -3.01 1.71 -0.37 -1.29 1.02 -1.26 -0.73 118.68 114.75 2kfw s LEU 35 Ca 0.20 1.34 -0.16 0.00 0.02 0.00 0.00 54.13 55.53 2kfw s LEU 35 Cb 0.07 -3.56 -0.00 0.00 0.02 0.00 0.00 46.19 42.72 2kfw s LEU 35 CO -0.00 -3.15 0.37 -2.28 0.02 0.00 0.00 176.35 171.31 2kfw s HIS 36 N -2.88 3.20 0.00 0.29 5.65 -1.24 -4.32 115.29 115.99 2kfw s HIS 36 Ca 0.65 -0.16 0.00 0.00 0.25 0.00 0.00 55.06 55.80 2kfw s HIS 36 Cb -0.19 -2.71 0.00 0.00 -1.18 0.00 0.00 32.58 28.50 2kfw s HIS 36 CO 0.58 -0.50 0.00 0.41 -0.65 0.00 0.00 174.74 174.58 2kfw n GLY 37 N 5.02 2.36 2.69 1.59 0.00 -1.26 -4.31 105.19 111.27 2kfw n GLY 37 Ca -0.09 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.81 2.02 0.00 1.61 0.00 -1.26 -4.84 115.29 112.01 2kfw s HIS 38 Ca 0.00 -2.49 0.00 0.00 -3.00 0.00 0.00 55.06 49.57 2kfw s HIS 38 Cb 0.00 -1.84 0.00 0.00 -4.00 0.00 0.00 32.58 26.74 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 3.30 -0.35 0.00 -1.38 0.00 -1.26 -4.26 105.19 101.25 2kfw n GLY 39 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.23 0.00 -3.57 1.61 7.64 -1.26 -4.82 113.62 110.98 2kfw n SER 40 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 2kfw n SER 40 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.35 -4.95 -3.43 7.94 -1.26 -4.96 117.00 108.99 2kfw n LEU 41 Ca 0.00 -0.36 -0.24 0.00 -1.11 0.00 0.00 56.01 54.30 2kfw n LEU 41 Cb 0.00 -0.73 -0.02 0.00 0.53 0.00 0.00 43.42 43.20 2kfw n LEU 41 CO 0.00 -3.13 0.05 -0.63 -1.11 0.00 0.00 177.39 172.57 2kfw s ILE 42 N -2.06 5.19 0.18 1.96 1.01 -1.26 -4.99 121.20 121.24 2kfw s ILE 42 Ca 0.31 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 2kfw s ILE 42 Cb -0.05 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2kfw s ILE 42 CO 0.28 -0.36 1.56 0.28 0.00 0.00 0.00 174.94 176.70 2kfw h SER 43 N 1.27 0.86 -0.65 3.58 0.02 -1.92 -0.91 113.55 115.80 2kfw h SER 43 Ca -0.50 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.07 2kfw h SER 43 Cb 1.21 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2kfw h SER 43 CO 0.63 1.10 0.31 1.23 -1.14 0.00 0.00 176.83 178.96 2kfw h GLY 44 N 0.91 1.00 1.64 -3.77 0.00 -1.95 -2.61 103.07 98.30 2kfw h GLY 44 Ca 0.08 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 2kfw h GLY 44 CO 0.07 0.48 -0.64 1.41 0.00 0.00 0.00 176.54 177.86 2kfw h LEU 45 N 0.90 0.42 -0.80 3.11 3.38 -1.94 -3.26 115.31 117.11 2kfw h LEU 45 Ca 0.22 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.06 2kfw h LEU 45 Cb 0.12 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 2kfw h LEU 45 CO -0.03 0.95 -0.41 -0.33 0.09 0.00 0.00 178.44 178.71 2kfw h GLU 46 N 0.27 -0.09 -0.88 1.13 5.08 -0.76 1.28 114.58 120.61 2kfw h GLU 46 Ca -0.01 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.57 2kfw h GLU 46 Cb 1.18 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2kfw h GLU 46 CO 0.11 -0.06 0.60 1.79 -1.00 0.00 0.00 179.01 180.44 2kfw h THR 47 N -0.09 0.64 0.00 1.13 1.35 -1.60 0.21 112.91 114.55 2kfw h THR 47 Ca 0.26 -0.09 -0.20 0.00 -0.55 0.00 0.00 66.41 65.83 2kfw h THR 47 Cb 0.56 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.30 2kfw h THR 47 CO -0.84 0.05 -1.12 0.00 -0.25 0.00 0.00 175.52 173.36 2kfw h ALA 48 N 1.60 0.55 -0.11 6.62 0.00 0.12 -3.34 119.26 124.71 2kfw h ALA 48 Ca 0.45 -0.94 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2kfw h ALA 48 Cb 1.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2kfw h ALA 48 CO -0.12 1.16 -0.35 -0.07 0.00 0.00 0.00 179.25 179.87 2kfw h LEU 49 N 0.00 0.49 -9.58 0.00 -0.00 0.29 -3.42 115.31 103.08 2kfw h LEU 49 Ca -0.09 -0.61 -0.59 0.00 -0.00 0.00 0.00 57.88 56.59 2kfw h LEU 49 Cb 1.73 -0.14 0.10 0.00 -0.00 0.00 0.00 40.66 42.34 2kfw h LEU 49 CO 0.09 1.01 0.45 1.21 -0.00 0.00 0.00 178.44 181.21 2kfw n GLU 50 N -4.37 1.83 -3.36 1.13 2.13 -0.13 -3.36 120.64 114.50 2kfw n GLU 50 Ca -0.08 0.65 -0.28 0.00 0.66 0.00 0.00 57.16 58.11 2kfw n GLU 50 Cb 0.51 -2.20 0.03 0.00 0.27 0.00 0.00 31.44 30.04 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfw n GLY 51 N 1.56 -0.16 0.07 8.31 0.00 -1.10 -4.89 105.19 108.98 2kfw n GLY 51 Ca 0.10 0.97 0.02 0.00 0.00 0.00 0.00 46.02 47.11 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 0.07 0.00 -2.81 1.61 -0.00 -1.21 -4.92 115.22 107.95 2kfw n HIS 52 Ca -0.05 -0.43 -0.02 0.00 0.46 0.00 0.00 57.72 57.68 2kfw n HIS 52 Cb 0.61 -0.06 -0.02 0.00 -0.12 0.00 0.00 29.99 30.40 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 -0.53 -3.05 -1.69 1.57 2.13 -1.26 -4.00 120.64 113.81 2kfw n GLU 53 Ca 0.03 2.48 -0.63 0.00 0.66 0.00 0.00 57.16 59.71 2kfw n GLU 53 Cb 0.44 -3.95 -0.09 0.00 0.27 0.00 0.00 31.44 28.12 2kfw n GLU 53 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2kfw n VAL 54 N 1.39 0.13 0.00 6.31 0.24 -1.26 -0.48 118.33 124.67 2kfw n VAL 54 Ca -0.14 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2kfw n VAL 54 Cb 0.30 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 2kfw n VAL 54 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kfw n GLY 55 N 4.42 0.85 3.82 7.63 0.00 0.13 -4.93 105.19 117.10 2kfw n GLY 55 Ca 0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.83 4.98 -0.07 1.61 -1.08 0.37 -4.93 116.67 115.72 2kfw s ASP 56 Ca 0.00 -0.69 0.02 0.00 -0.52 0.00 0.00 52.55 51.36 2kfw s ASP 56 Cb 0.00 -0.75 0.01 0.00 -1.46 0.00 0.00 42.92 40.72 2kfw s ASP 56 CO 0.00 -0.44 -0.12 -1.59 0.52 0.00 0.00 175.17 173.54 2kfw s LYS 57 N -3.98 1.72 -0.01 4.34 -2.85 -1.26 -1.92 119.74 115.77 2kfw s LYS 57 Ca 0.42 -0.42 0.05 0.00 -1.00 0.00 0.00 55.97 55.02 2kfw s LYS 57 Cb -0.03 -1.43 -0.03 0.00 -2.06 0.00 0.00 37.83 34.28 2kfw s LYS 57 CO 0.25 0.02 -0.15 0.12 0.10 0.00 0.00 175.35 175.69 2kfw s PHE 58 N 0.70 2.67 -0.21 1.78 5.36 0.10 -4.93 117.98 123.45 2kfw s PHE 58 Ca -0.14 -0.18 -0.11 0.00 -0.96 0.00 0.00 56.93 55.54 2kfw s PHE 58 Cb -0.16 -1.57 -0.05 0.00 -0.34 0.00 0.00 43.02 40.90 2kfw s PHE 58 CO 0.03 0.22 0.16 0.16 -1.46 0.00 0.00 175.22 174.34 2kfw s ASP 59 N -1.04 6.21 -0.03 6.13 -4.77 -1.26 -1.09 116.67 120.83 2kfw s ASP 59 Ca 0.13 0.23 -0.00 0.00 -3.30 0.00 0.00 52.55 49.61 2kfw s ASP 59 Cb -0.11 -2.11 0.03 0.00 -1.09 0.00 0.00 42.92 39.65 2kfw s ASP 59 CO 0.03 0.13 0.03 -0.69 0.70 0.00 0.00 175.17 175.37 2kfw s VAL 60 N 0.61 -0.05 -0.21 2.11 1.01 -1.05 -5.01 120.40 117.81 2kfw s VAL 60 Ca 0.09 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 2kfw s VAL 60 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 2kfw s VAL 60 CO 0.01 0.11 0.06 0.00 0.00 0.00 0.00 175.10 175.28 2kfw s ALA 61 N 1.30 3.25 -0.30 5.51 0.00 -1.26 -2.75 121.76 127.50 2kfw s ALA 61 Ca -0.06 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2kfw s ALA 61 Cb -0.13 -1.97 0.18 0.00 0.00 0.00 0.00 23.12 21.20 2kfw s ALA 61 CO -0.03 -0.15 1.11 0.54 0.00 0.00 0.00 175.76 177.23 2kfw s VAL 62 N 0.99 -0.21 0.00 0.00 0.11 -0.40 -4.96 120.40 115.92 2kfw s VAL 62 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2kfw s VAL 62 Cb -0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2kfw s VAL 62 CO 0.03 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2kfw n GLY 63 N 4.33 0.11 0.00 6.54 0.00 -1.26 -3.99 105.19 110.93 2kfw n GLY 63 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 64 N -1.35 1.95 0.35 4.61 0.00 -1.26 -1.18 120.51 123.62 2kfw n ALA 64 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2kfw n ALA 64 Cb 0.00 -1.29 0.23 0.00 0.00 0.00 0.00 19.45 18.39 2kfw n ALA 64 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -0.26 -1.94 -3.44 115.58 109.95 2kfw h ASN 65 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2kfw h ASN 65 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 2kfw h ASN 65 CO 0.00 0.00 0.00 -0.67 -1.06 0.00 0.00 177.43 175.70 2kfw n ASP 66 N -2.79 0.00 0.00 5.81 -0.08 -1.02 -5.01 116.55 113.46 2kfw n ASP 66 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2kfw n ASP 66 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kfw n ALA 67 N 0.00 0.00 -0.15 -1.67 0.00 -0.33 -4.07 120.51 114.29 2kfw n ALA 67 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2kfw n ALA 67 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 0.00 0.38 -0.86 0.00 4.01 -1.21 -4.94 117.16 114.55 2kfw n TYR 68 Ca 0.00 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 2kfw n TYR 68 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 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 0.29 0.54 3.55 2.72 0.00 -1.24 -4.16 105.19 106.90 2kfw n GLY 69 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2kfw n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kfw n GLN 70 N -1.87 -1.84 -1.67 1.61 1.13 -1.26 -4.70 117.38 108.79 2kfw n GLN 70 Ca 0.00 1.28 -0.48 0.00 -1.94 0.00 0.00 57.00 55.85 2kfw n GLN 70 Cb 0.05 -2.35 -0.05 0.00 0.11 0.00 0.00 30.24 28.00 2kfw n GLN 70 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 2kfw n TYR 71 N -0.90 2.23 -2.85 1.08 0.18 -1.26 -4.40 117.16 111.24 2kfw n TYR 71 Ca -0.14 0.18 -0.41 0.00 1.88 0.00 0.00 57.90 59.40 2kfw n TYR 71 Cb 0.68 -2.58 -0.04 0.00 -0.38 0.00 0.00 39.34 37.02 2kfw n TYR 71 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2kfw s ASP 72 N 2.67 7.09 0.65 9.48 1.01 -1.26 -4.35 116.67 131.95 2kfw s ASP 72 Ca 0.88 1.33 0.27 0.00 0.71 0.00 0.00 52.55 55.73 2kfw s ASP 72 Cb -0.74 -2.48 1.46 0.00 1.01 0.00 0.00 42.92 42.17 2kfw s ASP 72 CO 0.48 -0.32 1.82 -0.33 0.21 0.00 0.00 175.17 177.02 2kfw h GLU 73 N 7.07 0.00 0.00 8.23 4.39 -1.84 0.55 114.58 132.98 2kfw h GLU 73 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2kfw h GLU 73 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2kfw h GLU 73 CO 0.81 0.00 0.00 -1.71 -1.16 0.00 0.00 179.01 176.95 2kfw n ASN 74 N -2.82 0.00 -0.09 1.42 4.05 -1.26 -2.82 115.26 113.74 2kfw n ASN 74 Ca -0.02 -1.03 0.13 0.00 0.45 0.00 0.00 54.58 54.11 2kfw n ASN 74 Cb 0.43 0.00 0.38 0.00 1.23 0.00 0.00 39.78 41.82 2kfw n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kfw n LEU 75 N -0.86 0.59 -4.68 1.20 -0.00 0.19 -4.89 117.00 108.55 2kfw n LEU 75 Ca 0.14 -0.02 -0.49 0.00 -0.00 0.00 0.00 56.01 55.64 2kfw n LEU 75 Cb 0.06 -0.23 -0.05 0.00 -0.00 0.00 0.00 43.42 43.20 2kfw n LEU 75 CO 0.11 0.12 1.36 1.33 -0.00 0.00 0.00 177.39 180.31 2kfw n VAL 76 N -1.18 0.38 -4.03 1.47 0.24 -1.13 -4.93 118.33 109.14 2kfw n VAL 76 Ca 0.09 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 2kfw n VAL 76 Cb 0.33 -1.64 -0.05 0.00 -1.47 0.00 0.00 33.84 31.01 2kfw n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kfw s GLN 77 N 3.06 1.67 -0.04 7.34 -2.07 -0.86 -5.02 119.66 123.74 2kfw s GLN 77 Ca 0.90 -1.44 0.02 0.00 -1.82 0.00 0.00 55.36 53.02 2kfw s GLN 77 Cb -0.76 0.46 0.01 0.00 -1.09 0.00 0.00 33.01 31.62 2kfw s GLN 77 CO 0.50 -0.69 -0.09 1.03 -1.32 0.00 0.00 175.29 174.73 2kfw s ARG 78 N -3.65 1.07 -0.13 9.60 0.52 -1.26 -0.97 118.95 124.13 2kfw s ARG 78 Ca 0.26 -0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 54.90 2kfw s ARG 78 Cb -0.00 -0.98 0.07 0.00 0.52 0.00 0.00 34.95 34.55 2kfw s ARG 78 CO 0.13 0.06 0.68 0.14 0.02 0.00 0.00 175.30 176.33 2kfw s VAL 79 N 0.42 0.00 0.87 3.52 -7.23 0.27 -4.94 120.40 113.30 2kfw s VAL 79 Ca -0.07 -0.01 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 2kfw s VAL 79 Cb -0.11 -0.98 0.11 0.00 0.56 0.00 0.00 36.38 35.96 2kfw s VAL 79 CO 0.01 -0.01 1.11 -2.16 -0.31 0.00 0.00 175.10 173.74 2kfw s PRO 80 N -0.62 1.48 0.60 4.82 0.04 -1.25 -1.74 135.00 138.34 2kfw s PRO 80 Ca -0.07 0.53 0.26 0.00 0.04 0.00 0.00 61.00 61.76 2kfw s PRO 80 Cb -0.02 -1.86 1.42 0.00 0.04 0.00 0.00 34.50 34.08 2kfw s PRO 80 CO 0.07 -2.02 1.78 1.57 0.04 0.00 0.00 177.00 178.44 2kfw h LYS 81 N -1.37 0.00 -0.27 4.56 5.09 -1.83 -1.19 116.57 121.55 2kfw h LYS 81 Ca -0.49 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.33 2kfw h LYS 81 Cb 1.30 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.62 2kfw h LYS 81 CO 0.59 0.00 0.58 -0.44 -2.09 0.00 0.00 179.45 178.10 2kfw h ASP 82 N 0.00 0.00 -0.01 7.07 3.32 -1.92 1.29 116.42 126.17 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kfw h ASP 82 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2kfw h ASP 82 CO 0.00 0.00 -0.63 0.52 -1.72 0.00 0.00 179.24 177.41 2kfw n VAL 83 N -3.15 0.00 -1.59 -1.35 0.31 -0.45 -4.61 118.33 107.49 2kfw n VAL 83 Ca 0.05 -0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 63.79 2kfw n VAL 83 Cb 0.70 1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 34.78 2kfw n VAL 83 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2kfw n PHE 84 N -0.46 2.67 -1.69 3.52 3.01 0.44 -4.95 117.46 120.01 2kfw n PHE 84 Ca 0.08 -3.00 -0.55 0.00 1.01 0.00 0.00 57.45 54.99 2kfw n PHE 84 Cb 0.43 -2.33 -0.06 0.00 -0.01 0.00 0.00 39.48 37.50 2kfw n PHE 84 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2kfw n MET 85 N 3.61 1.46 -1.50 -1.08 2.81 -1.26 -4.47 117.12 116.68 2kfw n MET 85 Ca 0.68 0.53 0.07 0.00 -1.81 0.00 0.00 57.70 57.18 2kfw n MET 85 Cb 0.27 -2.28 -0.04 0.00 -0.71 0.00 0.00 33.22 30.46 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 4.37 -3.52 0.32 3.03 0.00 -1.26 -5.03 105.19 103.11 2kfw n GLY 86 Ca 0.26 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2kfw n GLY 86 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2kfw n VAL 87 N -3.32 0.00 -1.32 1.61 3.14 -1.26 -4.99 118.33 112.19 2kfw n VAL 87 Ca -0.04 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.24 2kfw n VAL 87 Cb 0.54 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.28 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 -2.18 -2.74 0.00 6.55 8.00 -1.26 -4.72 116.55 120.20 2kfw n ASP 88 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2kfw n ASP 88 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 2kfw n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kfw n GLU 89 N -1.70 0.00 -3.68 -1.24 -0.58 -1.26 -5.16 120.64 107.01 2kfw n GLU 89 Ca -0.10 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.50 2kfw n GLU 89 Cb 0.34 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.07 2kfw n GLU 89 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kfw s LEU 90 N 0.00 -0.01 0.37 -4.62 2.96 -1.26 -5.16 118.68 110.96 2kfw s LEU 90 Ca 0.00 0.49 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 2kfw s LEU 90 Cb 0.00 0.57 -0.07 0.00 0.50 0.00 0.00 46.19 47.19 2kfw s LEU 90 CO 0.00 -0.22 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.21 2kfw s GLN 91 N 2.05 1.85 -0.00 1.98 0.74 -1.26 -5.10 119.66 119.92 2kfw s GLN 91 Ca -0.01 -2.01 -0.28 0.00 0.05 0.00 0.00 55.36 53.10 2kfw s GLN 91 Cb -0.12 -1.53 -0.03 0.00 1.10 0.00 0.00 33.01 32.43 2kfw s GLN 91 CO -0.08 -0.00 0.91 0.08 -0.55 0.00 0.00 175.29 175.64 2kfw s VAL 92 N -2.77 4.87 0.00 1.34 1.01 -1.26 -3.43 120.40 120.16 2kfw s VAL 92 Ca 0.34 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.22 2kfw s VAL 92 Cb 0.07 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2kfw s VAL 92 CO 0.17 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2kfw n GLY 93 N 2.87 2.87 3.29 4.51 0.00 0.95 -4.99 105.19 114.68 2kfw n GLY 93 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2kfw n GLY 93 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2kfw n MET 94 N -0.08 0.08 -4.27 1.61 0.00 -1.22 -4.21 117.12 109.03 2kfw n MET 94 Ca 0.00 0.05 -0.24 0.00 0.00 0.00 0.00 57.70 57.51 2kfw n MET 94 Cb 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 33.22 31.62 2kfw n MET 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 2kfw s ARG 95 N -2.29 1.44 0.12 2.12 3.52 -1.26 -1.74 118.95 120.85 2kfw s ARG 95 Ca 0.56 -0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.83 2kfw s ARG 95 Cb -0.32 -1.33 -0.03 0.00 -1.56 0.00 0.00 34.95 31.71 2kfw s ARG 95 CO 0.68 -0.10 0.11 -0.59 -0.81 0.00 0.00 175.30 174.60 2kfw s PHE 96 N 1.08 0.62 -0.54 5.12 -0.12 -0.74 -4.90 117.98 118.50 2kfw s PHE 96 Ca -0.07 -1.02 -0.24 0.00 -0.05 0.00 0.00 56.93 55.55 2kfw s PHE 96 Cb -0.14 -0.32 0.04 0.00 -0.63 0.00 0.00 43.02 41.97 2kfw s PHE 96 CO -0.01 -0.55 0.91 -0.48 -0.05 0.00 0.00 175.22 175.04 2kfw s LEU 97 N -2.99 4.18 0.13 -1.99 0.05 -1.26 -0.48 118.68 116.32 2kfw s LEU 97 Ca 0.18 -0.37 -0.30 0.00 0.05 0.00 0.00 54.13 53.69 2kfw s LEU 97 Cb 0.06 -2.82 -0.07 0.00 -2.05 0.00 0.00 46.19 41.32 2kfw s LEU 97 CO -0.02 -1.18 1.09 0.00 -0.55 0.00 0.00 176.35 175.70 2kfw s ALA 98 N 3.80 3.34 -1.38 1.48 0.00 0.44 -4.60 121.76 124.85 2kfw s ALA 98 Ca 0.29 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 2kfw s ALA 98 Cb -0.13 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.66 2kfw s ALA 98 CO 0.19 -0.23 2.10 -1.91 0.00 0.00 0.00 175.76 175.91 2kfw n GLU 99 N 2.86 2.82 -1.21 0.00 0.00 -1.26 -0.99 120.64 122.86 2kfw n GLU 99 Ca 0.04 -2.69 -0.20 0.00 0.00 0.00 0.00 57.16 54.31 2kfw n GLU 99 Cb 0.47 -3.32 0.14 0.00 0.00 0.00 0.00 31.44 28.73 2kfw n GLU 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2kfw n THR 100 N 5.48 0.00 0.17 6.31 -2.24 -0.59 -4.88 114.28 118.52 2kfw n THR 100 Ca 0.51 -0.62 0.01 0.00 -2.27 0.00 0.00 64.05 61.69 2kfw n THR 100 Cb 0.41 -1.63 0.30 0.00 -2.10 0.00 0.00 70.33 67.31 2kfw n THR 100 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kfw h ASP 101 N -1.26 0.00 0.31 3.42 3.58 -2.02 -1.97 116.42 118.48 2kfw h ASP 101 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2kfw h ASP 101 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2kfw h ASP 101 CO 0.20 0.45 0.00 0.00 -2.88 0.00 0.00 179.24 177.01 2kfw n GLN 102 N -3.96 0.38 0.00 0.28 6.02 -1.26 -4.98 117.38 113.86 2kfw n GLN 102 Ca -0.02 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2kfw n GLN 102 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 0.45 0.07 3.65 1.08 0.00 -0.74 -4.95 105.19 104.74 2kfw n GLY 103 Ca 0.11 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 4.09 -0.16 1.61 0.04 -1.26 -1.55 135.00 137.77 2kfw s PRO 104 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2kfw s PRO 104 Cb 0.00 -3.88 0.03 0.00 0.04 0.00 0.00 34.50 30.69 2kfw s PRO 104 CO 0.00 -0.91 -0.12 0.08 0.04 0.00 0.00 177.00 176.09 2kfw s VAL 105 N 4.06 1.52 0.05 -0.36 1.01 -0.16 -4.91 120.40 121.61 2kfw s VAL 105 Ca 0.62 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 2kfw s VAL 105 Cb -0.24 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 2kfw s VAL 105 CO 0.22 0.37 1.24 -2.16 0.00 0.00 0.00 175.10 174.76 2kfw s PRO 106 N 1.49 4.40 0.38 2.72 0.04 -1.26 0.17 135.00 142.93 2kfw s PRO 106 Ca 0.03 1.81 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2kfw s PRO 106 Cb -0.14 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 2kfw s PRO 106 CO -0.10 -0.33 0.23 0.14 0.04 0.00 0.00 177.00 176.98 2kfw s VAL 107 N 1.34 0.22 -0.27 -0.36 -7.23 0.36 -4.90 120.40 109.57 2kfw s VAL 107 Ca 0.59 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2kfw s VAL 107 Cb -0.30 -2.39 0.15 0.00 0.56 0.00 0.00 36.38 34.40 2kfw s VAL 107 CO 0.28 0.00 0.43 -0.70 -0.31 0.00 0.00 175.10 174.80 2kfw s GLU 108 N -3.51 0.41 -0.17 4.82 2.12 -1.26 -1.79 118.70 119.32 2kfw s GLU 108 Ca 0.32 0.49 -0.39 0.00 0.36 0.00 0.00 54.97 55.75 2kfw s GLU 108 Cb 0.02 -0.22 -0.16 0.00 0.26 0.00 0.00 34.13 34.03 2kfw s GLU 108 CO 0.23 -0.78 1.65 0.44 -0.54 0.00 0.00 175.26 176.26 2kfw n ILE 109 N 5.37 0.24 -0.02 -3.70 -0.00 -0.71 -2.63 119.36 117.91 2kfw n ILE 109 Ca -0.01 -0.04 0.05 0.00 -0.00 0.00 0.00 62.75 62.74 2kfw n ILE 109 Cb 0.50 -1.17 -0.11 0.00 -0.00 0.00 0.00 39.64 38.87 2kfw n ILE 109 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 2kfw n THR 110 N 4.10 0.14 -4.07 7.28 5.66 -0.51 -0.04 114.28 126.85 2kfw n THR 110 Ca 0.24 -0.36 -0.14 0.00 -3.05 0.00 0.00 64.05 60.73 2kfw n THR 110 Cb 0.16 0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 68.94 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 -2.89 0.67 -0.26 1.79 0.00 -1.19 -4.84 121.76 115.04 2kfw s ALA 111 Ca -0.05 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 2kfw s ALA 111 Cb 0.08 1.11 0.15 0.00 0.00 0.00 0.00 23.12 24.46 2kfw s ALA 111 CO 0.59 -0.81 0.41 0.08 0.00 0.00 0.00 175.76 176.03 2kfw s VAL 112 N -2.94 -0.66 0.55 0.00 1.01 -1.26 -3.84 120.40 113.26 2kfw s VAL 112 Ca 0.29 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.25 2kfw s VAL 112 Cb -0.01 -0.88 0.09 0.00 0.00 0.00 0.00 36.38 35.58 2kfw s VAL 112 CO 0.20 -0.15 0.76 1.21 0.00 0.00 0.00 175.10 177.12 2kfw n GLU 113 N 5.37 0.62 -1.98 2.72 2.13 -1.08 -5.01 120.64 123.41 2kfw n GLU 113 Ca -0.02 -2.99 -0.42 0.00 0.66 0.00 0.00 57.16 54.39 2kfw n GLU 113 Cb 0.50 -0.22 -0.03 0.00 0.27 0.00 0.00 31.44 31.96 2kfw n GLU 113 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kfw s ASP 114 N -4.43 6.64 -1.78 4.31 1.11 -1.26 -2.75 116.67 118.51 2kfw s ASP 114 Ca 0.58 2.52 -0.19 0.00 0.18 0.00 0.00 52.55 55.64 2kfw s ASP 114 Cb -0.05 -2.59 0.18 0.00 1.07 0.00 0.00 42.92 41.54 2kfw s ASP 114 CO 0.37 -0.80 0.57 0.47 1.18 0.00 0.00 175.17 176.96 2kfw n ASP 115 N 4.31 -1.84 -3.55 0.27 9.92 -1.26 -4.87 116.55 119.53 2kfw n ASP 115 Ca 0.14 -1.18 -0.10 0.00 -0.53 0.00 0.00 54.79 53.12 2kfw n ASP 115 Cb 0.40 -1.96 -0.02 0.00 -0.64 0.00 0.00 41.12 38.89 2kfw n ASP 115 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2kfw s HIS 116 N -3.42 -0.41 0.03 1.24 3.76 -1.11 -4.65 115.29 110.73 2kfw s HIS 116 Ca 0.68 0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 55.59 2kfw s HIS 116 Cb -0.39 0.59 0.03 0.00 1.11 0.00 0.00 32.58 33.92 2kfw s HIS 116 CO 0.99 -0.88 0.34 0.08 -0.85 0.00 0.00 174.74 174.43 2kfw s VAL 117 N -3.65 0.07 -0.01 -0.90 1.01 -0.71 -2.62 120.40 113.59 2kfw s VAL 117 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2kfw s VAL 117 Cb -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2kfw s VAL 117 CO -0.07 -0.31 0.00 0.54 0.00 0.00 0.00 175.10 175.26 2kfw s VAL 118 N -2.27 0.07 -0.11 2.92 0.11 -1.25 0.94 120.40 120.81 2kfw s VAL 118 Ca -0.07 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2kfw s VAL 118 Cb -0.02 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 2kfw s VAL 118 CO -0.01 0.07 -0.11 0.68 -3.33 0.00 0.00 175.10 172.41 2kfw s VAL 119 N 0.57 3.31 0.15 2.04 -7.23 -0.14 -1.42 120.40 117.67 2kfw s VAL 119 Ca -0.05 -0.59 -0.25 0.00 -1.81 0.00 0.00 61.98 59.28 2kfw s VAL 119 Cb -0.08 -2.38 0.07 0.00 0.56 0.00 0.00 36.38 34.56 2kfw s VAL 119 CO -0.01 0.54 1.01 -0.62 -0.31 0.00 0.00 175.10 175.71 2kfw s ASP 120 N -0.05 -0.13 0.00 4.85 -1.08 -1.08 -2.02 116.67 117.16 2kfw s ASP 120 Ca -0.02 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 2kfw s ASP 120 Cb -0.14 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 2kfw s ASP 120 CO 0.03 -0.87 0.00 0.61 0.52 0.00 0.00 175.17 175.46 2kfw n GLY 121 N -0.52 0.90 3.38 2.66 0.00 -1.26 -4.54 105.19 105.82 2kfw n GLY 121 Ca -0.06 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 2kfw n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kfw s ASN 122 N -2.01 3.36 0.26 1.61 0.01 -1.26 -4.98 114.94 111.93 2kfw s ASN 122 Ca 0.00 -0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 51.32 2kfw s ASN 122 Cb 0.00 -0.39 -0.09 0.00 0.41 0.00 0.00 41.25 41.17 2kfw s ASN 122 CO 0.00 0.26 1.05 -1.00 -1.51 0.00 0.00 177.10 175.90 2kfw s HIS 123 N -0.83 3.71 -0.91 2.20 3.76 -1.26 -4.70 115.29 117.26 2kfw s HIS 123 Ca 0.12 1.76 0.25 0.00 -0.15 0.00 0.00 55.06 57.05 2kfw s HIS 123 Cb -0.10 -3.19 1.02 0.00 1.11 0.00 0.00 32.58 31.42 2kfw s HIS 123 CO 0.03 -0.24 1.80 -1.33 -0.85 0.00 0.00 174.74 174.15 2kfw n MET 124 N 1.42 0.07 -0.25 1.40 2.81 -1.26 -3.49 117.12 117.83 2kfw n MET 124 Ca -0.01 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.12 2kfw n MET 124 Cb 0.46 -1.59 0.40 0.00 -0.71 0.00 0.00 33.22 31.77 2kfw n MET 124 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2kfw h LEU 125 N 0.00 0.61 -9.11 4.03 5.85 -1.91 -3.43 115.31 111.36 2kfw h LEU 125 Ca 0.00 0.03 -0.63 0.00 0.84 0.00 0.00 57.88 58.12 2kfw h LEU 125 Cb 0.50 -0.09 0.13 0.00 0.37 0.00 0.00 40.66 41.57 2kfw h LEU 125 CO 0.00 0.32 -0.60 0.00 -0.34 0.00 0.00 178.44 177.82 2kfw n ALA 126 N -2.45 -2.43 0.00 1.25 0.00 -1.23 -3.93 120.51 111.73 2kfw n ALA 126 Ca 0.16 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2kfw n ALA 126 Cb 0.46 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 2.01 1.70 2.81 0.00 0.00 -1.26 -4.89 105.19 105.55 2kfw n GLY 127 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 2kfw n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfw s GLN 128 N -0.06 0.33 0.20 1.61 -0.21 -1.25 -5.04 119.66 115.24 2kfw s GLN 128 Ca 0.00 0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.15 2kfw s GLN 128 Cb 0.00 -0.61 -0.15 0.00 1.00 0.00 0.00 33.01 33.25 2kfw s GLN 128 CO 0.00 -0.96 0.43 0.27 -2.12 0.00 0.00 175.29 172.90 2kfw n ASN 129 N 5.33 -1.25 -4.52 5.90 0.23 -1.26 -4.64 115.26 115.04 2kfw n ASN 129 Ca -0.02 0.98 -0.34 0.00 -0.53 0.00 0.00 54.58 54.68 2kfw n ASN 129 Cb 0.48 -0.84 -0.12 0.00 -2.08 0.00 0.00 39.78 37.21 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kfw s LEU 130 N 2.79 3.10 -0.15 -4.53 1.02 -1.26 -4.54 118.68 115.12 2kfw s LEU 130 Ca 0.57 -0.11 -0.06 0.00 0.02 0.00 0.00 54.13 54.55 2kfw s LEU 130 Cb -0.81 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.67 2kfw s LEU 130 CO 0.51 0.28 0.06 -1.59 0.02 0.00 0.00 176.35 175.62 2kfw s LYS 131 N -0.29 3.68 0.03 1.70 -2.85 -1.18 -1.28 119.74 119.55 2kfw s LYS 131 Ca 0.04 -0.32 -0.12 0.00 -1.00 0.00 0.00 55.97 54.57 2kfw s LYS 131 Cb -0.13 -3.12 0.01 0.00 -2.06 0.00 0.00 37.83 32.53 2kfw s LYS 131 CO 0.02 0.45 0.25 -0.59 0.10 0.00 0.00 175.35 175.59 2kfw s PHE 132 N -0.14 -0.04 -0.09 1.78 -0.12 -1.11 -1.66 117.98 116.59 2kfw s PHE 132 Ca 0.07 -0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 56.84 2kfw s PHE 132 Cb -0.12 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 2kfw s PHE 132 CO 0.01 -0.45 -0.01 1.21 -0.05 0.00 0.00 175.22 175.93 2kfw s ASN 133 N -1.95 5.13 -0.07 1.98 2.47 -1.06 -2.54 114.94 118.90 2kfw s ASN 133 Ca -0.06 0.09 0.06 0.00 0.42 0.00 0.00 52.86 53.37 2kfw s ASN 133 Cb -0.02 -1.48 -0.01 0.00 -1.45 0.00 0.00 41.25 38.30 2kfw s ASN 133 CO -0.02 0.35 -0.25 0.68 -3.72 0.00 0.00 177.10 174.14 2kfw s VAL 134 N -0.71 2.04 -0.16 -5.21 -7.23 -0.25 -2.66 120.40 106.23 2kfw s VAL 134 Ca 0.11 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2kfw s VAL 134 Cb -0.12 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.11 2kfw s VAL 134 CO 0.02 0.56 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.51 2kfw s GLU 135 N -0.05 2.58 0.31 4.82 2.12 -0.90 0.02 118.70 127.61 2kfw s GLU 135 Ca -0.07 -0.67 -0.28 0.00 0.36 0.00 0.00 54.97 54.31 2kfw s GLU 135 Cb -0.15 -2.29 -0.09 0.00 0.26 0.00 0.00 34.13 31.86 2kfw s GLU 135 CO 0.05 -0.22 1.08 0.54 -0.54 0.00 0.00 175.26 176.17 2kfw s VAL 136 N 1.39 3.57 -0.12 3.70 0.11 -0.81 -2.90 120.40 125.35 2kfw s VAL 136 Ca 0.05 1.47 -0.05 0.00 -2.93 0.00 0.00 61.98 60.52 2kfw s VAL 136 Cb -0.13 -3.89 -0.05 0.00 -1.53 0.00 0.00 36.38 30.77 2kfw s VAL 136 CO -0.11 0.27 -0.14 0.52 -3.33 0.00 0.00 175.10 172.30 2kfw n VAL 137 N 0.85 0.63 -4.02 2.04 0.31 0.14 0.19 118.33 118.47 2kfw n VAL 137 Ca 0.01 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 2kfw n VAL 137 Cb 0.46 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.76 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 -0.01 -0.27 3.52 0.00 -1.25 -4.31 121.76 117.23 2kfw s ALA 138 Ca -0.16 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 2kfw s ALA 138 Cb 0.06 1.10 0.12 0.00 0.00 0.00 0.00 23.12 24.40 2kfw s ALA 138 CO 0.21 -0.83 0.24 0.42 0.00 0.00 0.00 175.76 175.80 2kfw s ILE 139 N -3.88 -0.31 0.12 0.00 1.01 -1.24 -3.01 121.20 113.89 2kfw s ILE 139 Ca 0.25 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.50 2kfw s ILE 139 Cb -0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2kfw s ILE 139 CO 0.11 -0.48 -0.14 -0.60 0.00 0.00 0.00 174.94 173.83 2kfw s ARG 140 N 2.29 1.96 -0.10 2.79 3.52 -0.39 -4.82 118.95 124.20 2kfw s ARG 140 Ca 0.09 -1.12 -0.30 0.00 -0.13 0.00 0.00 55.73 54.27 2kfw s ARG 140 Cb -0.15 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.02 2kfw s ARG 140 CO -0.30 0.49 1.12 -2.00 -0.81 0.00 0.00 175.30 173.80 2kfw s GLU 141 N -2.24 4.36 0.62 5.12 2.12 -1.26 0.28 118.70 127.70 2kfw s GLU 141 Ca 0.20 1.54 -0.13 0.00 0.36 0.00 0.00 54.97 56.94 2kfw s GLU 141 Cb -0.11 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 2kfw s GLU 141 CO 0.12 -0.44 1.04 0.00 -0.54 0.00 0.00 175.26 175.44 2kfw s ALA 142 N 2.35 2.85 1.06 6.30 0.00 -1.16 -4.84 121.76 128.31 2kfw s ALA 142 Ca 0.52 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 2kfw s ALA 142 Cb -0.21 -3.16 0.18 0.00 0.00 0.00 0.00 23.12 19.93 2kfw s ALA 142 CO 0.18 -0.83 0.90 2.41 0.00 0.00 0.00 175.76 178.42 2kfw n THR 143 N -2.49 0.00 -0.31 0.00 -1.04 -1.26 -4.75 114.28 104.43 2kfw n THR 143 Ca 0.07 -0.58 -0.04 0.00 -2.04 0.00 0.00 64.05 61.46 2kfw n THR 143 Cb 0.54 -1.49 0.08 0.00 -1.82 0.00 0.00 70.33 67.63 2kfw n THR 143 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kfw h GLU 144 N 0.00 1.13 -0.27 -2.82 4.22 -1.99 -2.32 114.58 112.53 2kfw h GLU 144 Ca -0.30 -0.10 -0.12 0.00 0.08 0.00 0.00 59.36 58.92 2kfw h GLU 144 Cb 0.86 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2kfw h GLU 144 CO 0.21 0.79 -0.35 1.49 -2.18 0.00 0.00 179.01 178.97 2kfw h GLU 145 N 1.15 0.58 0.01 1.92 4.57 -1.95 -1.62 114.58 119.23 2kfw h GLU 145 Ca 0.30 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2kfw h GLU 145 Cb -0.06 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2kfw h GLU 145 CO -0.06 0.85 -0.03 0.93 -1.18 0.00 0.00 179.01 179.52 2kfw h GLU 146 N 0.49 -0.06 0.00 1.92 3.07 -1.59 0.27 114.58 118.68 2kfw h GLU 146 Ca 0.05 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 2kfw h GLU 146 Cb 0.83 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2kfw h GLU 146 CO 0.07 -0.04 -0.08 -0.07 -1.40 0.00 0.00 179.01 177.49 2kfw h LEU 147 N -0.06 0.00 0.07 1.33 -0.00 -1.39 0.11 115.31 115.37 2kfw h LEU 147 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2kfw h LEU 147 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2kfw h LEU 147 CO -0.03 0.08 -0.03 0.00 -0.00 0.00 0.00 178.44 178.46 2kfw h ALA 148 N 1.92 -0.09 0.00 1.53 0.00 -0.16 -3.17 119.26 119.29 2kfw h ALA 148 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kfw h ALA 148 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kfw h ALA 148 CO 0.01 -0.14 0.00 0.72 0.00 0.00 0.00 179.25 179.84 2kfw n HIS 149 N -4.79 0.00 0.00 0.00 8.25 0.82 -4.84 115.22 114.66 2kfw n HIS 149 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kfw n HIS 149 Cb 0.29 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 0.62 3.02 0.00 -1.41 0.00 -0.24 -4.90 105.19 102.29 2kfw n GLY 150 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kfw n GLY 150 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 151 N -2.00 -0.93 -3.63 1.61 1.44 0.23 -4.09 115.22 107.84 2kfw n HIS 151 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 2kfw n HIS 151 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 2kfw n HIS 151 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2kfw s VAL 152 N -2.97 5.34 0.00 0.61 -7.23 -1.26 -4.14 120.40 110.74 2kfw s VAL 152 Ca 0.00 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2kfw s VAL 152 Cb 0.00 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.43 2kfw s VAL 152 CO 0.00 0.32 0.00 1.57 -0.31 0.00 0.00 175.10 176.68 2kfw n HIS 153 N 4.50 -0.74 0.00 2.82 -0.00 -1.26 -4.76 115.22 115.79 2kfw n HIS 153 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 2kfw n HIS 153 Cb 0.52 0.09 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 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 0.00 1.85 3.21 1.57 0.00 -1.26 -4.72 105.19 105.84 2kfw n GLY 154 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -2.64 -0.03 4.61 0.00 -1.26 -4.75 120.51 116.44 2kfw n ALA 155 Ca 0.00 0.16 0.22 0.00 0.00 0.00 0.00 53.44 53.82 2kfw n ALA 155 Cb 0.00 -1.76 0.71 0.00 0.00 0.00 0.00 19.45 18.40 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 0.66 0.00 -0.01 0.00 6.17 -1.91 0.11 115.15 120.17 2kfw h HIS 156 Ca -0.17 0.00 -0.19 0.00 0.71 0.00 0.00 60.37 60.72 2kfw h HIS 156 Cb 1.11 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.03 2kfw h HIS 156 CO 0.18 0.00 -0.84 0.38 0.71 0.00 0.00 177.93 178.36 2kfw h ASP 157 N 0.00 0.25 -5.24 3.26 2.03 -1.97 -3.49 116.42 111.27 2kfw h ASP 157 Ca 0.28 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2kfw h ASP 157 Cb 1.17 -0.08 -0.07 0.00 -0.83 0.00 0.00 39.33 39.52 2kfw h ASP 157 CO -0.00 0.98 -0.91 1.57 -1.03 0.00 0.00 179.24 179.84 2kfw n HIS 158 N -3.69 -2.83 -1.19 4.15 -0.00 0.37 -4.91 115.22 107.13 2kfw n HIS 158 Ca -0.03 1.66 0.05 0.00 0.46 0.00 0.00 57.72 59.85 2kfw n HIS 158 Cb 0.78 -2.80 0.21 0.00 -0.12 0.00 0.00 29.99 28.07 2kfw n HIS 158 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kfw n HIS 159 N 2.02 0.72 -0.84 1.57 1.44 -1.26 -5.02 115.22 113.85 2kfw n HIS 159 Ca -0.21 -1.17 -0.00 0.00 -2.01 0.00 0.00 57.72 54.33 2kfw n HIS 159 Cb 0.32 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2kfw n HIS 159 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kfw n HIS 160 N -0.94 -3.66 -3.34 -1.40 8.25 -1.26 -5.08 115.22 107.79 2kfw n HIS 160 Ca 0.24 -0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2kfw n HIS 160 Cb 0.87 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.89 2kfw n HIS 160 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kfw s ASP 161 N -1.23 0.63 0.00 0.41 1.01 -1.26 -5.03 116.67 111.20 2kfw s ASP 161 Ca 0.01 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.99 2kfw s ASP 161 Cb -0.00 0.97 0.00 0.00 1.01 0.00 0.00 42.92 44.90 2kfw s ASP 161 CO 0.01 -0.35 0.00 1.41 0.21 0.00 0.00 175.17 176.45 2kfw n HIS 162 N 5.35 0.00 -0.78 4.23 8.25 -1.26 -4.45 115.22 126.56 2kfw n HIS 162 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kfw n HIS 162 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 1.80 0.00 0.00 0.41 2.03 -1.26 -5.05 116.55 114.48 2kfw n ASP 163 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kfw n ASP 163 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kfw n ASP 163 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw n HIS 164 N 0.00 0.00 -2.90 -0.67 1.44 -1.26 -5.01 115.22 106.82 2kfw n HIS 164 Ca 0.00 -0.12 -0.35 0.00 -2.01 0.00 0.00 57.72 55.24 2kfw n HIS 164 Cb 0.00 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.03 2kfw n HIS 164 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 2kfw s ASP 165 N -0.24 7.09 -0.77 4.39 -4.77 -1.26 -4.98 116.67 116.12 2kfw s ASP 165 Ca 0.00 1.64 0.00 0.00 -3.30 0.00 0.00 52.55 50.89 2kfw s ASP 165 Cb 0.00 -2.51 0.36 0.00 -1.09 0.00 0.00 42.92 39.68 2kfw s ASP 165 CO 0.00 -0.16 1.68 0.61 0.70 0.00 0.00 175.17 178.01 2kfw n GLY 166 N 0.10 5.77 0.00 2.12 0.00 -1.26 -4.69 105.19 107.22 2kfw n GLY 166 Ca 0.03 -2.59 0.12 0.00 0.00 0.00 0.00 46.02 43.58 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 3.80 5.74 0.00 0.00 0.00 -1.26 -5.10 105.19 108.36 2kfw n GLY 169 Ca -0.18 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 5.00 0.53 0.25 -0.02 0.00 -1.26 -5.10 105.19 104.59 2kfw n GLY 170 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2kfw n GLY 170 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 171 N 0.89 -1.80 -2.15 1.61 -0.00 -1.26 -5.15 115.22 107.36 2kfw n HIS 171 Ca 0.00 0.12 -0.23 0.00 0.46 0.00 0.00 57.72 58.08 2kfw n HIS 171 Cb 0.00 0.59 0.14 0.00 -0.12 0.00 0.00 29.99 30.60 2kfw n HIS 171 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 172 N -1.23 -0.46 2.71 1.57 0.00 -1.26 -5.07 105.19 101.46 2kfw n GLY 172 Ca 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.09 2kfw n GLY 172 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 173 N -3.14 -2.27 0.00 1.61 1.44 -1.26 -5.00 115.22 106.60 2kfw n HIS 173 Ca 0.14 -1.68 0.00 0.00 -2.01 0.00 0.00 57.72 54.17 2kfw n HIS 173 Cb 0.50 1.50 0.00 0.00 0.12 0.00 0.00 29.99 32.11 2kfw n HIS 173 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 174 N 0.64 0.00 -3.25 4.39 -0.08 -1.26 -5.10 116.55 111.89 2kfw n ASP 174 Ca 0.04 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.28 2kfw n ASP 174 Cb 0.70 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.13 2kfw n ASP 174 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2kfw s HIS 175 N 0.00 -1.35 0.00 -0.67 2.46 -1.26 -5.01 115.29 109.46 2kfw s HIS 175 Ca 0.00 0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.63 2kfw s HIS 175 Cb 0.00 0.11 0.00 0.00 -0.13 0.00 0.00 32.58 32.56 2kfw s HIS 175 CO 0.00 -1.10 0.00 0.41 -2.47 0.00 0.00 174.74 171.58 2kfw n GLY 176 N 4.57 -0.63 3.04 1.59 0.00 -1.26 -5.07 105.19 107.44 2kfw n GLY 176 Ca 0.09 0.29 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2kfw n GLY 176 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 177 N 0.00 -2.87 0.22 1.61 8.25 -1.26 -4.93 115.22 116.24 2kfw n HIS 177 Ca 0.00 1.20 -0.09 0.00 -0.26 0.00 0.00 57.72 58.58 2kfw n HIS 177 Cb 0.00 -3.00 -0.04 0.00 1.12 0.00 0.00 29.99 28.06 2kfw n HIS 177 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2kfw h GLU 178 N 2.52 -0.55 -5.81 -0.41 4.57 -2.07 -3.48 114.58 109.35 2kfw h GLU 178 Ca -0.15 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2kfw h GLU 178 Cb 0.88 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 2kfw h GLU 178 CO 0.15 -0.37 -0.80 0.72 -1.18 0.00 0.00 179.01 177.54 2kfw n HIS 179 N -4.06 -1.62 -4.26 0.92 8.25 -1.26 -5.00 115.22 108.19 2kfw n HIS 179 Ca -0.07 0.84 -0.20 0.00 -0.26 0.00 0.00 57.72 58.04 2kfw n HIS 179 Cb 0.22 -2.12 -0.13 0.00 1.12 0.00 0.00 29.99 29.09 2kfw n HIS 179 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2kfw s GLY 180 N -0.72 0.87 0.00 -1.41 0.00 -1.26 -5.12 107.32 99.68 2kfw s GLY 180 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2kfw s GLY 180 CO 0.30 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 173.05 2kfw n GLY 181 N 1.51 0.51 3.60 0.20 0.00 -1.26 -5.16 105.19 104.59 2kfw n GLY 181 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 2kfw n GLY 181 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kfw s GLU 182 N 1.70 0.28 2.47 1.61 4.04 -1.26 -5.10 118.70 122.45 2kfw s GLU 182 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 54.97 54.86 2kfw s GLU 182 Cb 0.00 0.10 0.00 0.00 0.02 0.00 0.00 34.13 34.25 2kfw s GLU 182 CO 0.00 -0.13 0.00 0.41 -1.84 0.00 0.00 175.26 173.70 2kfw n GLY 183 N -0.42 2.85 3.68 -3.83 0.00 -1.26 -4.14 105.19 102.06 2kfw n GLY 183 Ca -0.07 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.06 -1.43 2.54 0.00 0.00 -1.26 -4.88 105.19 100.10 2kfw n GLY 186 Ca 0.33 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.13 1.77 0.44 -0.02 0.00 -1.26 -4.95 105.19 101.04 2kfw n GLY 187 Ca 0.00 -0.67 0.24 0.00 0.00 0.00 0.00 46.02 45.59 2kfw n GLY 187 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kfw h LYS 188 N 2.90 0.00 0.00 1.61 -0.00 -1.92 -3.45 116.57 115.71 2kfw h LYS 188 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.60 2kfw h LYS 188 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 2kfw h LYS 188 CO 0.26 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 180.12 2kfw n GLY 189 N -1.58 3.70 3.31 0.07 0.00 -1.26 -5.12 105.19 104.31 2kfw n GLY 189 Ca 0.14 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2kfw n GLY 189 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kfw s ASN 190 N 0.00 3.30 -1.25 1.61 0.01 -1.26 -5.05 114.94 112.30 2kfw s ASN 190 Ca 0.00 -0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 51.58 2kfw s ASN 190 Cb 0.00 -0.94 0.16 0.00 0.41 0.00 0.00 41.25 40.88 2kfw s ASN 190 CO 0.00 0.25 1.66 0.61 -1.51 0.00 0.00 177.10 178.11 2kfw n GLY 191 N 2.94 3.96 3.35 0.66 0.00 -1.26 -5.00 105.19 109.83 2kfw n GLY 191 Ca -0.17 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 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 3.59 -2.83 1.41 -0.02 0.00 -1.26 -4.78 105.19 101.31 2kfw n GLY 192 Ca 0.39 -1.36 0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.27 0.00 1.53 0.00 0.00 -1.26 -5.14 105.19 96.05 2kfw n GLY 194 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32