#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 1.38 0.77 2.12 -0.14 -1.26 -4.84 119.74 117.78 2kfw s LYS 2 Ca 0.00 -1.54 -0.16 0.00 -1.36 0.00 0.00 55.97 52.92 2kfw s LYS 2 Cb 0.00 -1.39 -0.03 0.00 -1.68 0.00 0.00 37.83 34.73 2kfw s LYS 2 CO 0.00 0.27 0.47 1.55 -0.76 0.00 0.00 175.35 176.88 2kfw n VAL 3 N -0.07 1.37 -4.02 3.17 3.14 -1.26 -4.92 118.33 115.74 2kfw n VAL 3 Ca -0.10 -0.36 -0.10 0.00 -2.96 0.00 0.00 64.34 60.82 2kfw n VAL 3 Cb 0.58 -0.69 -0.05 0.00 -1.06 0.00 0.00 33.84 32.62 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 -2.01 0.01 0.00 1.55 0.00 -1.26 -4.55 121.76 115.50 2kfw s ALA 4 Ca 0.63 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2kfw s ALA 4 Cb -0.32 1.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 2kfw s ALA 4 CO 0.60 -0.83 0.96 0.87 0.00 0.00 0.00 175.76 177.37 2kfw h LYS 5 N 2.26 -0.09 -3.70 0.00 1.57 -1.96 -3.21 116.57 111.45 2kfw h LYS 5 Ca -0.27 0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.28 2kfw h LYS 5 Cb 1.25 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.59 2kfw h LYS 5 CO 0.38 -0.06 1.94 -3.47 -0.57 0.00 0.00 179.45 177.67 2kfw n ASP 6 N -2.25 2.86 -3.50 0.86 2.03 -1.26 -2.85 116.55 112.44 2kfw n ASP 6 Ca -0.01 -2.20 0.01 0.00 0.52 0.00 0.00 54.79 53.11 2kfw n ASP 6 Cb 0.03 -0.85 -0.03 0.00 -0.72 0.00 0.00 41.12 39.55 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 0.07 -1.07 0.28 -2.67 1.43 -1.21 -3.87 118.68 111.64 2kfw s LEU 7 Ca 0.24 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.32 2kfw s LEU 7 Cb 0.06 2.14 -0.10 0.00 0.03 0.00 0.00 46.19 48.32 2kfw s LEU 7 CO -0.01 -0.20 1.33 0.68 0.23 0.00 0.00 176.35 178.37 2kfw s VAL 8 N 2.82 2.83 -0.10 -1.59 -7.23 0.67 -3.42 120.40 114.38 2kfw s VAL 8 Ca -0.00 0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 60.92 2kfw s VAL 8 Cb -0.11 -3.49 0.03 0.00 0.56 0.00 0.00 36.38 33.37 2kfw s VAL 8 CO -0.19 0.16 0.01 -0.69 -0.31 0.00 0.00 175.10 174.07 2kfw s VAL 9 N -0.62 0.44 -0.53 1.32 1.01 -0.11 -1.67 120.40 120.24 2kfw s VAL 9 Ca 0.53 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 2kfw s VAL 9 Cb -0.39 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.36 2kfw s VAL 9 CO 0.47 0.16 0.83 -0.94 0.00 0.00 0.00 175.10 175.62 2kfw s SER 10 N 1.94 6.31 -0.28 3.32 1.04 -1.20 -3.01 113.70 121.82 2kfw s SER 10 Ca 0.04 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 2kfw s SER 10 Cb -0.13 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.64 2kfw s SER 10 CO -0.06 -1.10 -0.02 -0.76 0.98 0.00 0.00 173.24 172.29 2kfw s LEU 11 N 3.49 3.66 0.12 2.42 1.02 -1.22 -0.98 118.68 127.19 2kfw s LEU 11 Ca 0.26 -1.11 -0.27 0.00 0.02 0.00 0.00 54.13 53.03 2kfw s LEU 11 Cb -0.14 -1.71 -0.07 0.00 0.02 0.00 0.00 46.19 44.29 2kfw s LEU 11 CO 0.17 -0.21 0.84 0.00 0.02 0.00 0.00 176.35 177.17 2kfw s ALA 12 N 1.29 3.35 -0.02 4.21 0.00 -0.98 -4.11 121.76 125.51 2kfw s ALA 12 Ca -0.03 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 2kfw s ALA 12 Cb -0.19 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.88 2kfw s ALA 12 CO -0.02 0.12 0.40 1.52 0.00 0.00 0.00 175.76 177.78 2kfw s TYR 13 N -0.47 -0.30 -0.04 0.00 -0.85 -0.65 -0.94 117.35 114.10 2kfw s TYR 13 Ca 0.40 0.47 -0.05 0.00 -0.52 0.00 0.00 57.07 57.37 2kfw s TYR 13 Cb -0.23 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.25 2kfw s TYR 13 CO 0.27 -0.45 0.19 -0.65 -1.52 0.00 0.00 175.55 173.38 2kfw s GLN 14 N -1.35 3.47 -0.11 -3.49 -0.21 -0.63 0.10 119.66 117.44 2kfw s GLN 14 Ca -0.13 -0.22 -0.00 0.00 0.02 0.00 0.00 55.36 55.03 2kfw s GLN 14 Cb -0.04 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 2kfw s GLN 14 CO 0.05 0.70 -0.09 0.08 -2.12 0.00 0.00 175.29 173.92 2kfw s VAL 15 N -1.24 3.50 -0.11 1.09 1.01 0.47 -2.36 120.40 122.77 2kfw s VAL 15 Ca 0.24 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2kfw s VAL 15 Cb -0.13 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.83 2kfw s VAL 15 CO 0.14 0.55 0.27 -0.13 0.00 0.00 0.00 175.10 175.93 2kfw s ARG 16 N -0.17 0.28 0.27 2.72 0.52 0.14 -3.14 118.95 119.57 2kfw s ARG 16 Ca 0.02 0.46 -0.08 0.00 -0.52 0.00 0.00 55.73 55.60 2kfw s ARG 16 Cb -0.13 0.04 -0.07 0.00 0.52 0.00 0.00 34.95 35.31 2kfw s ARG 16 CO 0.03 -0.09 0.58 0.95 0.02 0.00 0.00 175.30 176.79 2kfw s THR 17 N 0.64 4.94 0.62 0.02 -4.23 0.33 -0.47 115.64 117.48 2kfw s THR 17 Ca -0.04 0.38 0.26 0.00 -1.18 0.00 0.00 61.69 61.11 2kfw s THR 17 Cb -0.05 -3.66 0.34 0.00 1.34 0.00 0.00 72.50 70.46 2kfw s THR 17 CO -0.04 -0.20 1.72 -0.08 -0.54 0.00 0.00 174.62 175.49 2kfw h GLU 18 N 2.13 0.00 0.00 3.99 4.81 -1.90 0.92 114.58 124.53 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 0.68 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.71 2kfw n ASP 19 N -3.34 0.00 -0.44 1.04 8.00 -1.26 -4.82 116.55 115.73 2kfw n ASP 19 Ca 0.08 -0.42 -0.01 0.00 0.71 0.00 0.00 54.79 55.16 2kfw n ASP 19 Cb 0.79 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfw n GLY 20 N 0.17 0.77 3.38 0.44 0.00 0.32 -5.06 105.19 105.21 2kfw n GLY 20 Ca 0.12 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.75 2.17 -0.25 1.61 1.01 -1.18 -4.92 120.40 116.09 2kfw s VAL 21 Ca 0.01 -1.82 -0.07 0.00 0.00 0.00 0.00 61.98 60.10 2kfw s VAL 21 Cb -0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2kfw s VAL 21 CO 0.01 -0.02 0.07 -0.22 0.00 0.00 0.00 175.10 174.94 2kfw s LEU 22 N -2.26 3.48 -0.18 3.92 2.96 -1.26 -0.51 118.68 124.83 2kfw s LEU 22 Ca 0.15 -0.25 0.12 0.00 -0.22 0.00 0.00 54.13 53.93 2kfw s LEU 22 Cb -0.09 -1.92 -0.23 0.00 0.50 0.00 0.00 46.19 44.45 2kfw s LEU 22 CO 0.07 -0.05 0.13 1.33 -1.32 0.00 0.00 176.35 176.51 2kfw n VAL 23 N 4.92 1.47 -3.55 1.68 0.24 -1.19 -5.01 118.33 116.90 2kfw n VAL 23 Ca -0.16 -0.78 -0.14 0.00 -2.04 0.00 0.00 64.34 61.23 2kfw n VAL 23 Cb 0.51 -0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 31.99 2kfw n VAL 23 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2kfw s ASP 24 N -5.90 -0.49 -0.14 -1.34 1.01 -1.26 -5.03 116.67 103.52 2kfw s ASP 24 Ca -0.15 0.52 -0.08 0.00 0.71 0.00 0.00 52.55 53.55 2kfw s ASP 24 Cb 0.07 0.40 0.05 0.00 1.01 0.00 0.00 42.92 44.45 2kfw s ASP 24 CO 0.78 -0.46 0.33 -1.83 0.21 0.00 0.00 175.17 174.20 2kfw s GLU 25 N -1.21 0.31 -0.33 8.23 -1.05 -1.26 0.18 118.70 123.57 2kfw s GLU 25 Ca -0.05 0.64 -0.06 0.00 -0.15 0.00 0.00 54.97 55.35 2kfw s GLU 25 Cb -0.00 -0.04 0.04 0.00 -0.44 0.00 0.00 34.13 33.68 2kfw s GLU 25 CO 0.05 -0.15 0.09 -1.12 0.95 0.00 0.00 175.26 175.08 2kfw s SER 26 N 1.20 5.24 0.83 0.83 0.01 0.29 -4.93 113.70 117.18 2kfw s SER 26 Ca -0.08 -1.09 -0.11 0.00 1.31 0.00 0.00 55.95 55.97 2kfw s SER 26 Cb -0.09 -1.86 0.09 0.00 0.21 0.00 0.00 66.02 64.38 2kfw s SER 26 CO -0.09 -0.30 1.10 -2.16 0.41 0.00 0.00 173.24 172.19 2kfw s PRO 27 N 1.40 1.80 0.52 12.44 0.04 -1.26 -1.64 135.00 148.31 2kfw s PRO 27 Ca -0.01 0.69 0.30 0.00 0.04 0.00 0.00 61.00 62.02 2kfw s PRO 27 Cb -0.19 -1.88 1.41 0.00 0.04 0.00 0.00 34.50 33.87 2kfw s PRO 27 CO 0.02 -1.83 2.02 0.28 0.04 0.00 0.00 177.00 177.54 2kfw h VAL 28 N -1.24 0.37 0.00 -0.36 2.07 -1.98 -1.82 116.25 113.29 2kfw h VAL 28 Ca -0.48 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.42 2kfw h VAL 28 Cb 1.27 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2kfw h VAL 28 CO 0.58 0.10 -0.17 -1.20 0.02 0.00 0.00 177.57 176.90 2kfw n SER 29 N -3.39 0.63 -2.92 0.57 7.64 -1.26 -4.09 113.62 110.80 2kfw n SER 29 Ca -0.01 0.41 -0.13 0.00 1.01 0.00 0.00 58.87 60.15 2kfw n SER 29 Cb 0.28 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kfw n ALA 30 N -1.73 2.67 -1.43 -0.43 0.00 -0.72 -5.11 120.51 113.76 2kfw n ALA 30 Ca 0.05 -3.24 -0.30 0.00 0.00 0.00 0.00 53.44 49.95 2kfw n ALA 30 Cb 0.41 -0.94 0.10 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.73 1.86 -0.48 0.00 0.04 -0.96 -4.25 135.00 128.46 2kfw s PRO 31 Ca 0.33 0.73 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 2kfw s PRO 31 Cb 0.40 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 33.16 2kfw s PRO 31 CO -0.02 -1.80 0.39 -1.17 0.04 0.00 0.00 177.00 174.44 2kfw s LEU 32 N -5.92 5.74 -0.09 -3.56 2.96 -1.26 -4.89 118.68 111.66 2kfw s LEU 32 Ca 0.62 -1.67 -0.27 0.00 -0.22 0.00 0.00 54.13 52.59 2kfw s LEU 32 Cb -0.16 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2kfw s LEU 32 CO 0.55 -0.71 0.87 -0.62 -1.32 0.00 0.00 176.35 175.12 2kfw s ASP 33 N 2.85 7.12 0.15 3.68 2.15 -1.26 -3.40 116.67 127.95 2kfw s ASP 33 Ca 0.04 1.36 -0.18 0.00 0.43 0.00 0.00 52.55 54.20 2kfw s ASP 33 Cb -0.26 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 39.91 2kfw s ASP 33 CO 0.03 -0.31 0.48 -0.72 -0.17 0.00 0.00 175.17 174.47 2kfw s TYR 34 N 1.53 -0.29 0.42 -5.34 -0.85 -1.16 -4.84 117.35 106.82 2kfw s TYR 34 Ca 0.43 -0.00 -0.25 0.00 -0.52 0.00 0.00 57.07 56.73 2kfw s TYR 34 Cb -0.18 0.36 -0.08 0.00 0.38 0.00 0.00 41.96 42.44 2kfw s TYR 34 CO 0.18 -0.78 1.20 -1.17 -1.52 0.00 0.00 175.55 173.47 2kfw s LEU 35 N -2.80 4.14 0.15 -3.49 2.96 -1.26 -0.93 118.68 117.44 2kfw s LEU 35 Ca 0.03 2.40 -0.09 0.00 -0.22 0.00 0.00 54.13 56.25 2kfw s LEU 35 Cb 0.01 -4.07 -0.06 0.00 0.50 0.00 0.00 46.19 42.56 2kfw s LEU 35 CO -0.11 -0.80 0.46 -2.28 -1.32 0.00 0.00 176.35 172.30 2kfw s HIS 36 N -1.42 3.51 0.00 5.38 5.65 -1.13 -3.96 115.29 123.32 2kfw s HIS 36 Ca 0.59 0.78 0.00 0.00 0.25 0.00 0.00 55.06 56.68 2kfw s HIS 36 Cb -0.32 -2.17 0.00 0.00 -1.18 0.00 0.00 32.58 28.91 2kfw s HIS 36 CO 0.39 0.41 0.00 0.41 -0.65 0.00 0.00 174.74 175.30 2kfw n GLY 37 N 0.35 2.12 2.69 1.59 0.00 -1.26 -4.15 105.19 106.53 2kfw n GLY 37 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2kfw n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 38 N -3.34 2.03 -1.41 1.61 4.02 -1.25 -4.84 115.29 112.10 2kfw s HIS 38 Ca 0.00 -2.49 -0.09 0.00 1.02 0.00 0.00 55.06 53.50 2kfw s HIS 38 Cb 0.00 -1.85 0.04 0.00 -1.02 0.00 0.00 32.58 29.75 2kfw s HIS 38 CO 0.00 -0.76 1.01 0.41 1.02 0.00 0.00 174.74 176.41 2kfw n GLY 39 N 3.33 -0.47 0.10 -2.22 0.00 -1.26 -4.45 105.19 100.21 2kfw n GLY 39 Ca 0.12 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 2kfw n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfw h SER 40 N -2.24 -0.15 0.00 1.61 4.64 -1.89 -3.48 113.55 112.04 2kfw h SER 40 Ca -0.58 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2kfw h SER 40 Cb 1.37 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2kfw h SER 40 CO 0.60 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.90 2kfw n LEU 41 N -3.97 0.00 -3.81 5.97 4.32 -1.26 -5.06 117.00 113.19 2kfw n LEU 41 Ca -0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.86 2kfw n LEU 41 Cb 0.07 0.33 -0.08 0.00 -1.62 0.00 0.00 43.42 42.13 2kfw n LEU 41 CO 0.05 -0.35 -0.04 -0.63 -1.22 0.00 0.00 177.39 175.20 2kfw s ILE 42 N -0.70 0.11 0.03 -0.08 1.01 -1.26 -5.04 121.20 115.27 2kfw s ILE 42 Ca 0.00 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 2kfw s ILE 42 Cb 0.00 -1.05 -0.15 0.00 0.01 0.00 0.00 42.46 41.27 2kfw s ILE 42 CO 0.00 -0.49 1.30 0.77 0.00 0.00 0.00 174.94 176.52 2kfw h SER 43 N 3.13 0.42 -0.36 3.58 4.64 -1.90 0.10 113.55 123.17 2kfw h SER 43 Ca -0.33 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.44 2kfw h SER 43 Cb 1.20 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2kfw h SER 43 CO 0.50 0.87 0.16 1.23 -0.87 0.00 0.00 176.83 178.71 2kfw h GLY 44 N -0.02 0.56 0.81 -0.77 0.00 -1.90 -3.05 103.07 98.71 2kfw h GLY 44 Ca 0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 2kfw h GLY 44 CO 0.05 0.28 -0.11 -2.00 0.00 0.00 0.00 176.54 174.76 2kfw h LEU 45 N 0.43 0.46 -1.82 3.11 5.85 -1.95 -2.92 115.31 118.48 2kfw h LEU 45 Ca 0.12 -0.42 0.46 0.00 0.84 0.00 0.00 57.88 58.88 2kfw h LEU 45 Cb 0.16 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 2kfw h LEU 45 CO -0.01 0.78 1.09 -0.33 -0.34 0.00 0.00 178.44 179.62 2kfw h GLU 46 N 0.14 0.04 -0.64 1.25 5.08 -0.68 0.53 114.58 120.30 2kfw h GLU 46 Ca 0.05 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2kfw h GLU 46 Cb 0.61 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2kfw h GLU 46 CO 0.03 0.03 0.34 1.15 -1.00 0.00 0.00 179.01 179.56 2kfw h THR 47 N 0.04 0.95 0.00 1.13 2.02 -1.46 -0.05 112.91 115.54 2kfw h THR 47 Ca 0.79 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.72 2kfw h THR 47 Cb 2.96 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 2kfw h THR 47 CO -0.13 0.11 -0.15 0.00 0.37 0.00 0.00 175.52 175.73 2kfw h ALA 48 N 1.34 1.14 0.32 6.16 0.00 -0.10 -3.17 119.26 124.95 2kfw h ALA 48 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kfw h ALA 48 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kfw h ALA 48 CO -0.19 0.19 -0.15 1.25 0.00 0.00 0.00 179.25 180.35 2kfw h LEU 49 N 0.00 -0.36 -9.50 0.00 6.46 -0.92 -3.39 115.31 107.60 2kfw h LEU 49 Ca -0.00 -0.18 -0.60 0.00 -0.12 0.00 0.00 57.88 56.97 2kfw h LEU 49 Cb 0.51 0.09 0.08 0.00 -0.73 0.00 0.00 40.66 40.61 2kfw h LEU 49 CO 0.02 0.08 0.51 1.21 -0.62 0.00 0.00 178.44 179.64 2kfw n GLU 50 N -5.09 1.76 -3.48 1.25 2.13 -0.96 -2.06 120.64 114.19 2kfw n GLU 50 Ca -0.09 0.63 -0.19 0.00 0.66 0.00 0.00 57.16 58.17 2kfw n GLU 50 Cb 0.27 -2.24 0.06 0.00 0.27 0.00 0.00 31.44 29.80 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 2.17 -0.65 0.23 8.31 0.00 -1.26 -4.90 105.19 109.09 2kfw n GLY 51 Ca 0.13 0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.91 0.00 -1.18 1.61 -0.00 -0.88 -5.04 115.22 105.82 2kfw n HIS 52 Ca -0.21 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.97 2kfw n HIS 52 Cb 0.65 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.52 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 -0.20 -3.18 -2.74 1.57 0.00 -1.26 -4.09 120.64 110.74 2kfw n GLU 53 Ca 0.04 2.44 -0.43 0.00 0.00 0.00 0.00 57.16 59.22 2kfw n GLU 53 Cb 0.21 -2.98 -0.03 0.00 0.00 0.00 0.00 31.44 28.64 2kfw n GLU 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2kfw s VAL 54 N -4.61 4.70 0.00 6.31 0.11 -1.26 -3.09 120.40 122.55 2kfw s VAL 54 Ca 0.00 1.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.84 2kfw s VAL 54 Cb 0.00 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.58 2kfw s VAL 54 CO 0.00 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2kfw n GLY 55 N 3.60 1.43 3.81 6.54 0.00 -0.21 -4.99 105.19 115.36 2kfw n GLY 55 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.67 5.77 -0.08 1.61 2.15 -1.18 -4.71 116.67 118.57 2kfw s ASP 56 Ca 0.00 1.78 -0.20 0.00 0.43 0.00 0.00 52.55 54.56 2kfw s ASP 56 Cb 0.00 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 2kfw s ASP 56 CO 0.00 -1.18 0.46 -1.59 -0.17 0.00 0.00 175.17 172.70 2kfw s LYS 57 N -4.20 0.73 0.07 4.34 -2.85 -1.26 -1.37 119.74 115.20 2kfw s LYS 57 Ca 0.63 0.21 -0.19 0.00 -1.00 0.00 0.00 55.97 55.61 2kfw s LYS 57 Cb -0.15 0.34 0.04 0.00 -2.06 0.00 0.00 37.83 36.00 2kfw s LYS 57 CO 0.39 -0.18 0.46 -0.59 0.10 0.00 0.00 175.35 175.53 2kfw s PHE 58 N -0.76 -0.32 -0.22 1.78 -0.12 -0.96 -5.00 117.98 112.37 2kfw s PHE 58 Ca -0.08 0.26 -0.13 0.00 -0.05 0.00 0.00 56.93 56.92 2kfw s PHE 58 Cb -0.03 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 2kfw s PHE 58 CO 0.05 -0.64 0.26 0.16 -0.05 0.00 0.00 175.22 175.00 2kfw s ASP 59 N -2.18 6.26 -0.15 1.98 -4.77 -1.26 -2.38 116.67 114.16 2kfw s ASP 59 Ca -0.03 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 2kfw s ASP 59 Cb -0.00 -2.16 0.02 0.00 -1.09 0.00 0.00 42.92 39.69 2kfw s ASP 59 CO -0.04 0.01 -0.14 -0.69 0.70 0.00 0.00 175.17 175.00 2kfw s VAL 60 N 1.15 1.58 -0.39 2.11 1.01 -1.18 -4.98 120.40 119.70 2kfw s VAL 60 Ca 0.12 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2kfw s VAL 60 Cb -0.14 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2kfw s VAL 60 CO 0.06 0.46 0.54 0.00 0.00 0.00 0.00 175.10 176.16 2kfw s ALA 61 N 1.45 3.43 -0.27 5.51 0.00 -1.26 -3.58 121.76 127.03 2kfw s ALA 61 Ca 0.04 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 2kfw s ALA 61 Cb -0.13 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 19.99 2kfw s ALA 61 CO -0.10 -1.46 0.59 0.08 0.00 0.00 0.00 175.76 174.86 2kfw s VAL 62 N 2.49 -0.86 0.00 0.00 1.01 -0.85 -4.98 120.40 117.21 2kfw s VAL 62 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2kfw s VAL 62 Cb -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2kfw s VAL 62 CO 0.15 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2kfw n GLY 63 N 5.38 -0.64 0.00 4.51 0.00 -1.26 -4.22 105.19 108.96 2kfw n GLY 63 Ca -0.12 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.03 2.23 0.00 4.61 0.00 -1.26 0.60 120.51 125.66 2kfw n ALA 64 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 2kfw n ALA 64 Cb 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.89 2kfw n ALA 64 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kfw h ASN 65 N 0.00 0.29 0.00 0.00 -0.73 -1.92 -3.33 115.58 109.89 2kfw h ASN 65 Ca 0.00 -0.94 0.00 0.00 1.87 0.00 0.00 56.30 57.23 2kfw h ASN 65 Cb 0.40 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.90 2kfw h ASN 65 CO 0.00 1.29 0.00 0.47 -0.37 0.00 0.00 177.43 178.82 2kfw n ASP 66 N -4.28 0.00 -0.34 1.15 9.92 -1.23 -4.60 116.55 117.17 2kfw n ASP 66 Ca -0.14 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.02 2kfw n ASP 66 Cb 0.71 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.13 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kfw h ALA 67 N 0.00 -0.43 -0.00 2.24 0.00 -1.72 -3.06 119.26 116.29 2kfw h ALA 67 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kfw h ALA 67 Cb 0.00 1.22 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kfw h ALA 67 CO 0.00 -0.90 -0.12 0.66 0.00 0.00 0.00 179.25 178.88 2kfw n TYR 68 N -5.33 0.00 -1.34 0.00 4.01 0.20 -4.79 117.16 109.91 2kfw n TYR 68 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 2kfw n TYR 68 Cb 0.31 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.84 1.25 2.80 2.72 0.00 -1.10 -3.24 105.19 108.47 2kfw n GLY 69 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.51 -2.44 -2.88 1.61 6.02 -1.25 -4.92 117.38 112.01 2kfw n GLN 70 Ca -0.13 2.16 -0.42 0.00 -0.01 0.00 0.00 57.00 58.60 2kfw n GLN 70 Cb 0.51 -5.55 -0.04 0.00 1.02 0.00 0.00 30.24 26.18 2kfw n GLN 70 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2kfw s TYR 71 N -2.47 3.36 -0.10 1.08 -0.85 -1.20 -4.75 117.35 112.43 2kfw s TYR 71 Ca 0.22 1.20 -0.26 0.00 -0.52 0.00 0.00 57.07 57.71 2kfw s TYR 71 Cb -0.06 -3.04 -0.02 0.00 0.38 0.00 0.00 41.96 39.21 2kfw s TYR 71 CO 0.75 -0.33 0.85 0.34 -1.52 0.00 0.00 175.55 175.64 2kfw s ASP 72 N 1.25 7.09 0.66 -0.18 -1.08 -1.26 -4.25 116.67 118.90 2kfw s ASP 72 Ca 0.37 1.33 0.27 0.00 -0.52 0.00 0.00 52.55 53.99 2kfw s ASP 72 Cb -0.16 -2.48 1.46 0.00 -1.46 0.00 0.00 42.92 40.28 2kfw s ASP 72 CO 0.09 -0.30 1.82 -0.33 0.52 0.00 0.00 175.17 176.98 2kfw h GLU 73 N 7.03 0.00 -0.03 4.34 5.08 -1.95 0.91 114.58 129.96 2kfw h GLU 73 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2kfw h GLU 73 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kfw h GLU 73 CO 0.80 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 177.10 2kfw n ASN 74 N -2.87 0.34 -0.00 1.42 5.15 -1.26 -3.74 115.26 114.31 2kfw n ASN 74 Ca -0.02 -1.46 -0.17 0.00 -0.60 0.00 0.00 54.58 52.33 2kfw n ASN 74 Cb 0.45 -0.02 -0.11 0.00 -0.53 0.00 0.00 39.78 39.57 2kfw n ASN 74 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2kfw h LEU 75 N 0.46 0.52 -8.39 1.20 6.46 0.63 -3.41 115.31 112.77 2kfw h LEU 75 Ca 0.00 -0.75 -0.38 0.00 -0.12 0.00 0.00 57.88 56.63 2kfw h LEU 75 Cb 0.10 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2kfw h LEU 75 CO 0.00 1.20 1.04 0.68 -0.62 0.00 0.00 178.44 180.74 2kfw s VAL 76 N -3.23 3.32 0.28 1.05 -7.23 -1.25 -4.20 120.40 109.14 2kfw s VAL 76 Ca -0.13 -0.05 -0.09 0.00 -1.81 0.00 0.00 61.98 59.90 2kfw s VAL 76 Cb 0.03 -3.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.19 2kfw s VAL 76 CO 0.82 -0.75 0.46 0.00 -0.31 0.00 0.00 175.10 175.32 2kfw s GLN 77 N 7.32 1.65 -0.18 4.82 -2.07 -0.32 -4.98 119.66 125.90 2kfw s GLN 77 Ca 0.74 -1.43 -0.00 0.00 -1.82 0.00 0.00 55.36 52.84 2kfw s GLN 77 Cb -0.11 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.28 2kfw s GLN 77 CO 0.12 -0.68 -0.16 1.03 -1.32 0.00 0.00 175.29 174.28 2kfw s ARG 78 N -3.68 3.10 -0.15 9.60 0.52 -1.26 -0.87 118.95 126.20 2kfw s ARG 78 Ca 0.26 -0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 2kfw s ARG 78 Cb -0.00 -2.67 0.06 0.00 0.52 0.00 0.00 34.95 32.86 2kfw s ARG 78 CO 0.12 -0.17 0.36 0.14 0.02 0.00 0.00 175.30 175.77 2kfw s VAL 79 N 1.25 -0.17 0.76 3.52 -7.23 -0.82 -4.95 120.40 112.75 2kfw s VAL 79 Ca 0.03 0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.23 2kfw s VAL 79 Cb -0.14 -0.55 0.04 0.00 0.56 0.00 0.00 36.38 36.30 2kfw s VAL 79 CO -0.09 0.06 1.08 -2.16 -0.31 0.00 0.00 175.10 173.68 2kfw s PRO 80 N 1.68 2.43 0.29 4.82 0.04 -1.26 -2.93 135.00 140.06 2kfw s PRO 80 Ca -0.07 0.94 0.10 0.00 0.04 0.00 0.00 61.00 62.00 2kfw s PRO 80 Cb -0.10 -1.93 0.41 0.00 0.04 0.00 0.00 34.50 32.92 2kfw s PRO 80 CO -0.11 -1.46 1.65 0.87 0.04 0.00 0.00 177.00 177.99 2kfw h LYS 81 N -0.98 0.05 0.00 4.56 1.79 -1.95 -2.75 116.57 117.29 2kfw h LYS 81 Ca -0.45 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2kfw h LYS 81 Cb 1.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2kfw h LYS 81 CO 0.56 0.60 -0.01 0.38 -1.08 0.00 0.00 179.45 179.90 2kfw h ASP 82 N 0.04 0.00 0.13 0.86 2.03 -1.93 0.14 116.42 117.69 2kfw h ASP 82 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kfw h ASP 82 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2kfw h ASP 82 CO 0.08 0.01 -0.31 0.52 -1.03 0.00 0.00 179.24 178.51 2kfw n VAL 83 N -3.20 0.00 0.10 4.15 0.31 -1.04 -4.07 118.33 114.57 2kfw n VAL 83 Ca -0.02 -0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.08 2kfw n VAL 83 Cb 0.12 0.72 0.15 0.00 -0.91 0.00 0.00 33.84 33.91 2kfw n VAL 83 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2kfw h PHE 84 N 1.78 0.23 -6.33 3.52 -1.00 -1.00 -3.48 116.94 110.66 2kfw h PHE 84 Ca 0.00 -0.08 -0.46 0.00 2.81 0.00 0.00 57.97 60.24 2kfw h PHE 84 Cb 0.60 -0.04 0.07 0.00 3.61 0.00 0.00 35.95 40.19 2kfw h PHE 84 CO 0.00 0.72 -0.95 -1.33 -1.61 0.00 0.00 178.31 175.14 2kfw n MET 85 N -3.88 -1.17 -2.49 1.51 2.81 -1.25 -4.82 117.12 107.82 2kfw n MET 85 Ca -0.02 0.40 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 2kfw n MET 85 Cb 0.60 -3.93 0.00 0.00 -0.71 0.00 0.00 33.22 29.18 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfw n GLY 86 N -1.75 -0.26 2.69 3.03 0.00 -1.26 -5.12 105.19 102.52 2kfw n GLY 86 Ca -0.10 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 2kfw n GLY 86 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kfw n VAL 87 N 9.00-11.64 1.06 1.61 0.31 -1.26 -4.81 118.33 112.60 2kfw n VAL 87 Ca 0.00 2.26 0.02 0.00 -0.01 0.00 0.00 64.34 66.62 2kfw n VAL 87 Cb 0.00 -6.34 0.08 0.00 -0.91 0.00 0.00 33.84 26.67 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2kfw n ASP 88 N 1.42 1.42 -3.20 4.52 2.03 -1.26 -4.61 116.55 116.87 2kfw n ASP 88 Ca -0.25 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 52.97 2kfw n ASP 88 Cb 0.41 -0.31 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 2kfw n ASP 88 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kfw s GLU 89 N -1.60 0.51 -0.12 -0.67 2.02 -1.26 -5.13 118.70 112.44 2kfw s GLU 89 Ca 0.12 0.66 -0.00 0.00 0.02 0.00 0.00 54.97 55.76 2kfw s GLU 89 Cb 0.07 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.51 2kfw s GLU 89 CO 0.06 -0.82 -0.08 -0.51 0.02 0.00 0.00 175.26 173.92 2kfw s LEU 90 N 2.76 1.30 -0.14 1.80 1.43 -1.26 -5.12 118.68 119.45 2kfw s LEU 90 Ca 0.15 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2kfw s LEU 90 Cb -0.13 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2kfw s LEU 90 CO -0.23 -0.12 -0.19 -1.58 0.23 0.00 0.00 176.35 174.46 2kfw s GLN 91 N 1.67 3.12 0.12 1.70 0.74 -1.26 -5.07 119.66 120.68 2kfw s GLN 91 Ca 0.04 -0.81 -0.35 0.00 0.05 0.00 0.00 55.36 54.30 2kfw s GLN 91 Cb -0.13 -2.51 -0.17 0.00 1.10 0.00 0.00 33.01 31.30 2kfw s GLN 91 CO -0.08 0.02 1.08 1.55 -0.55 0.00 0.00 175.29 177.30 2kfw n VAL 92 N 4.02 0.67 0.00 1.34 3.14 -1.26 -0.00 118.33 126.23 2kfw n VAL 92 Ca -0.19 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 2kfw n VAL 92 Cb 0.52 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 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 1.95 3.33 3.80 7.55 0.00 0.23 -4.89 105.19 117.16 2kfw n GLY 93 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.68 3.17 -0.08 1.61 0.00 0.99 -4.63 119.30 119.67 2kfw s MET 94 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 55.69 56.93 2kfw s MET 94 Cb 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 34.83 32.83 2kfw s MET 94 CO 0.00 -0.93 -0.15 -0.98 0.00 0.00 0.00 175.02 172.96 2kfw s ARG 95 N -4.19 2.05 0.14 4.11 1.70 -1.26 -1.47 118.95 120.03 2kfw s ARG 95 Ca 0.64 -0.53 -0.03 0.00 -0.47 0.00 0.00 55.73 55.34 2kfw s ARG 95 Cb -0.17 -1.67 -0.03 0.00 -0.57 0.00 0.00 34.95 32.51 2kfw s ARG 95 CO 0.40 0.03 0.11 -0.59 -1.08 0.00 0.00 175.30 174.17 2kfw s PHE 96 N 0.68 0.74 0.29 5.89 -0.71 -0.54 -4.98 117.98 119.36 2kfw s PHE 96 Ca -0.14 -1.12 -0.20 0.00 -1.04 0.00 0.00 56.93 54.44 2kfw s PHE 96 Cb -0.16 -0.38 -0.09 0.00 -1.21 0.00 0.00 43.02 41.18 2kfw s PHE 96 CO 0.04 -0.57 0.80 -0.48 -1.34 0.00 0.00 175.22 173.67 2kfw s LEU 97 N -3.03 4.22 -0.02 -1.99 0.05 -1.26 -2.16 118.68 114.49 2kfw s LEU 97 Ca 0.22 1.51 0.02 0.00 0.05 0.00 0.00 54.13 55.94 2kfw s LEU 97 Cb 0.06 -3.92 0.00 0.00 -2.05 0.00 0.00 46.19 40.29 2kfw s LEU 97 CO 0.01 -0.10 -0.09 0.00 -0.55 0.00 0.00 176.35 175.63 2kfw s ALA 98 N -1.74 0.84 -0.52 1.48 0.00 -1.03 -4.92 121.76 115.88 2kfw s ALA 98 Ca 0.50 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 2kfw s ALA 98 Cb -0.15 -0.31 0.13 0.00 0.00 0.00 0.00 23.12 22.80 2kfw s ALA 98 CO 0.20 0.14 0.42 -2.00 0.00 0.00 0.00 175.76 174.52 2kfw s GLU 99 N 0.16 2.69 0.34 0.00 2.56 -1.26 -1.84 118.70 121.35 2kfw s GLU 99 Ca -0.02 -1.83 0.06 0.00 0.00 0.00 0.00 54.97 53.18 2kfw s GLU 99 Cb -0.08 -4.05 -0.01 0.00 2.00 0.00 0.00 34.13 31.99 2kfw s GLU 99 CO 0.00 -1.24 0.48 0.95 -0.56 0.00 0.00 175.26 174.89 2kfw s THR 100 N 1.30 4.14 0.34 -1.70 -4.23 -1.20 -4.94 115.64 109.34 2kfw s THR 100 Ca 0.06 -0.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.71 2kfw s THR 100 Cb -0.26 -3.44 0.08 0.00 1.34 0.00 0.00 72.50 70.22 2kfw s THR 100 CO -0.00 -0.18 1.79 0.44 -0.54 0.00 0.00 174.62 176.12 2kfw h ASP 101 N 0.87 0.14 0.24 3.99 3.32 -2.03 -1.70 116.42 121.25 2kfw h ASP 101 Ca -0.46 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2kfw h ASP 101 Cb 1.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2kfw h ASP 101 CO 0.53 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.54 2kfw n GLN 102 N -4.09 0.42 0.00 3.56 6.02 -1.26 -4.92 117.38 117.11 2kfw n GLN 102 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2kfw n GLN 102 Cb 0.42 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 0.39 3.93 3.70 1.08 0.00 -0.64 -5.06 105.19 108.59 2kfw n GLY 103 Ca 0.12 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.78 4.36 0.00 1.61 0.04 -1.26 -3.27 135.00 132.70 2kfw s PRO 104 Ca 0.00 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 2kfw s PRO 104 Cb 0.00 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 2kfw s PRO 104 CO 0.00 -0.40 0.05 0.14 0.04 0.00 0.00 177.00 176.83 2kfw s VAL 105 N 1.59 0.07 0.60 -0.36 -7.23 -0.76 -4.95 120.40 109.35 2kfw s VAL 105 Ca 0.61 -0.58 -0.16 0.00 -1.81 0.00 0.00 61.98 60.03 2kfw s VAL 105 Cb -0.30 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 2kfw s VAL 105 CO 0.27 -0.32 1.07 -2.16 -0.31 0.00 0.00 175.10 173.65 2kfw s PRO 106 N -1.01 3.24 0.02 4.82 0.04 -1.26 -2.46 135.00 138.39 2kfw s PRO 106 Ca -0.11 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.10 2kfw s PRO 106 Cb -0.07 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2kfw s PRO 106 CO 0.00 -0.88 0.18 0.14 0.04 0.00 0.00 177.00 176.48 2kfw s VAL 107 N -2.39 0.09 -0.25 -0.36 -7.23 -0.92 -4.55 120.40 104.80 2kfw s VAL 107 Ca 0.65 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 60.03 2kfw s VAL 107 Cb -0.17 -0.67 0.13 0.00 0.56 0.00 0.00 36.38 36.23 2kfw s VAL 107 CO 0.37 -0.42 0.32 -0.70 -0.31 0.00 0.00 175.10 174.36 2kfw s GLU 108 N -1.90 0.31 0.44 4.82 2.12 -1.26 -1.47 118.70 121.76 2kfw s GLU 108 Ca -0.10 0.24 -0.26 0.00 0.36 0.00 0.00 54.97 55.22 2kfw s GLU 108 Cb -0.04 -0.70 -0.09 0.00 0.26 0.00 0.00 34.13 33.56 2kfw s GLU 108 CO -0.00 -0.78 1.41 0.44 -0.54 0.00 0.00 175.26 175.79 2kfw n ILE 109 N 5.34 2.70 0.00 -3.70 -0.00 -0.54 -2.93 119.36 120.23 2kfw n ILE 109 Ca -0.03 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.22 2kfw n ILE 109 Cb 0.49 -1.81 0.00 0.00 -0.00 0.00 0.00 39.64 38.32 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 -0.16 0.00 -3.27 7.28 5.66 -1.21 0.74 114.28 123.33 2kfw n THR 110 Ca 0.05 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.08 2kfw n THR 110 Cb 0.41 -0.47 -0.02 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.52 -2.27 0.33 1.79 0.00 -1.26 -4.55 121.76 114.29 2kfw s ALA 111 Ca 0.00 1.95 -0.29 0.00 0.00 0.00 0.00 51.96 53.62 2kfw s ALA 111 Cb 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 23.12 20.92 2kfw s ALA 111 CO 0.00 -1.24 1.39 0.54 0.00 0.00 0.00 175.76 176.46 2kfw s VAL 112 N 2.87 2.48 0.07 0.00 0.11 -1.26 -3.51 120.40 121.16 2kfw s VAL 112 Ca 0.14 0.47 0.04 0.00 -2.93 0.00 0.00 61.98 59.70 2kfw s VAL 112 Cb -0.14 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 2kfw s VAL 112 CO -0.20 0.10 -0.12 -1.61 -3.33 0.00 0.00 175.10 169.94 2kfw s GLU 113 N -1.60 0.78 0.79 1.54 0.41 -1.01 -4.95 118.70 114.66 2kfw s GLU 113 Ca 0.52 -0.97 -0.16 0.00 -0.41 0.00 0.00 54.97 53.95 2kfw s GLU 113 Cb -0.42 -0.68 -0.07 0.00 -1.78 0.00 0.00 34.13 31.17 2kfw s GLU 113 CO 0.54 0.14 0.09 -3.47 -0.49 0.00 0.00 175.26 172.07 2kfw n ASP 114 N 1.15 -2.90 0.00 -0.19 2.03 -1.26 -1.85 116.55 113.53 2kfw n ASP 114 Ca -0.20 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2kfw n ASP 114 Cb 0.55 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 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 0.90 0.00 -3.73 1.67 -0.08 -1.26 -4.71 116.55 109.35 2kfw n ASP 115 Ca 0.06 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.28 2kfw n ASP 115 Cb 0.51 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.96 2kfw n ASP 115 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2kfw s HIS 116 N 0.00 -0.14 0.37 -0.67 -3.43 -0.77 -4.63 115.29 106.02 2kfw s HIS 116 Ca 0.00 -0.33 0.03 0.00 -0.80 0.00 0.00 55.06 53.97 2kfw s HIS 116 Cb 0.00 0.72 0.07 0.00 -1.43 0.00 0.00 32.58 31.94 2kfw s HIS 116 CO 0.00 -1.24 0.52 1.33 -2.00 0.00 0.00 174.74 173.35 2kfw n VAL 117 N -0.47 0.00 -3.69 -5.38 0.24 -1.15 -2.40 118.33 105.48 2kfw n VAL 117 Ca -0.05 -1.05 -0.21 0.00 -2.04 0.00 0.00 64.34 60.99 2kfw n VAL 117 Cb 0.59 -0.87 -0.18 0.00 -1.47 0.00 0.00 33.84 31.92 2kfw n VAL 117 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kfw s VAL 118 N -1.34 0.01 -0.07 3.34 0.11 -1.23 -1.94 120.40 119.28 2kfw s VAL 118 Ca 0.37 0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 59.63 2kfw s VAL 118 Cb -0.03 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2kfw s VAL 118 CO 0.24 0.15 0.22 0.68 -3.33 0.00 0.00 175.10 173.06 2kfw s VAL 119 N 2.12 5.37 0.27 2.04 -7.23 -0.05 -3.30 120.40 119.62 2kfw s VAL 119 Ca 0.05 0.32 -0.13 0.00 -1.81 0.00 0.00 61.98 60.40 2kfw s VAL 119 Cb -0.13 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.32 2kfw s VAL 119 CO -0.04 0.55 0.54 1.51 -0.31 0.00 0.00 175.10 177.35 2kfw s ASP 120 N -1.21 0.01 0.00 4.85 1.47 -1.15 -1.17 116.67 119.47 2kfw s ASP 120 Ca 0.20 -0.96 0.00 0.00 1.18 0.00 0.00 52.55 52.96 2kfw s ASP 120 Cb -0.13 0.64 0.00 0.00 -0.34 0.00 0.00 42.92 43.09 2kfw s ASP 120 CO 0.09 -1.23 0.00 0.61 0.68 0.00 0.00 175.17 175.31 2kfw n GLY 121 N -0.43 -0.43 3.26 2.12 0.00 -1.26 -4.60 105.19 103.86 2kfw n GLY 121 Ca -0.02 0.16 -0.39 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 5.44 0.72 1.61 4.22 -1.26 -4.73 114.94 120.94 2kfw s ASN 122 Ca 0.00 -1.34 0.00 0.00 -2.14 0.00 0.00 52.86 49.38 2kfw s ASN 122 Cb 0.00 -1.91 0.00 0.00 1.28 0.00 0.00 41.25 40.62 2kfw s ASN 122 CO 0.00 -0.42 0.00 1.41 -2.04 0.00 0.00 177.10 176.05 2kfw n HIS 123 N 4.84 -2.24 0.54 1.54 8.25 -1.26 -4.89 115.22 121.99 2kfw n HIS 123 Ca -0.11 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.48 2kfw n HIS 123 Cb 0.44 0.00 0.42 0.00 1.12 0.00 0.00 29.99 31.96 2kfw n HIS 123 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2kfw h MET 124 N 0.00 0.00 0.00 -0.41 2.86 -1.94 -3.45 114.93 111.99 2kfw h MET 124 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kfw h MET 124 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2kfw h MET 124 CO 0.00 0.00 0.00 -0.11 1.06 0.00 0.00 176.91 177.86 2kfw n LEU 125 N -2.33 0.00 -4.89 1.22 -0.00 -1.26 -5.13 117.00 104.60 2kfw n LEU 125 Ca 0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.74 2kfw n LEU 125 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.76 2kfw n LEU 125 CO 0.28 0.00 0.09 0.00 -0.00 0.00 0.00 177.39 177.77 2kfw s ALA 126 N 0.00 3.72 -2.05 1.96 0.00 -1.26 -4.05 121.76 120.08 2kfw s ALA 126 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2kfw s ALA 126 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2kfw s ALA 126 CO 0.00 0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2kfw n GLY 127 N -0.07 1.53 2.47 0.00 0.00 -1.26 -4.82 105.19 103.04 2kfw n GLY 127 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2kfw n GLY 127 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kfw n GLN 128 N -2.42 1.72 -1.38 1.61 -0.06 -1.26 -4.97 117.38 110.62 2kfw n GLN 128 Ca -0.21 -4.15 -0.45 0.00 -2.00 0.00 0.00 57.00 50.19 2kfw n GLN 128 Cb 0.66 -1.97 -0.02 0.00 -4.06 0.00 0.00 30.24 24.85 2kfw n GLN 128 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2kfw n ASN 129 N 1.43 -1.59 -3.98 1.69 2.85 -1.26 -4.49 115.26 109.91 2kfw n ASN 129 Ca 0.26 1.00 -0.20 0.00 -0.11 0.00 0.00 54.58 55.53 2kfw n ASN 129 Cb 0.43 -0.97 -0.16 0.00 1.24 0.00 0.00 39.78 40.33 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kfw s LEU 130 N 3.15 1.73 -0.21 1.20 1.02 -1.26 -4.07 118.68 120.25 2kfw s LEU 130 Ca 0.62 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.61 2kfw s LEU 130 Cb -0.78 -0.50 0.03 0.00 0.02 0.00 0.00 46.19 44.95 2kfw s LEU 130 CO 0.59 0.04 -0.15 -0.75 0.02 0.00 0.00 176.35 176.10 2kfw s LYS 131 N 0.29 2.87 -0.05 1.70 2.20 0.38 -2.00 119.74 125.13 2kfw s LYS 131 Ca -0.04 -0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 54.60 2kfw s LYS 131 Cb -0.09 -2.73 0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2kfw s LYS 131 CO 0.00 -0.30 0.12 -0.59 -0.36 0.00 0.00 175.35 174.22 2kfw s PHE 132 N 1.28 -0.13 -0.13 4.03 -0.71 -1.24 -0.68 117.98 120.40 2kfw s PHE 132 Ca 0.02 0.34 -0.10 0.00 -1.04 0.00 0.00 56.93 56.14 2kfw s PHE 132 Cb -0.15 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.63 2kfw s PHE 132 CO -0.09 -0.08 0.21 1.21 -1.34 0.00 0.00 175.22 175.13 2kfw s ASN 133 N 0.25 6.41 0.14 1.98 3.04 -0.99 -3.13 114.94 122.64 2kfw s ASN 133 Ca -0.02 0.48 0.09 0.00 0.04 0.00 0.00 52.86 53.46 2kfw s ASN 133 Cb -0.03 -2.13 -0.04 0.00 -1.54 0.00 0.00 41.25 37.52 2kfw s ASN 133 CO -0.01 0.27 -0.22 -0.69 -3.04 0.00 0.00 177.10 173.41 2kfw s VAL 134 N -0.33 1.97 0.00 -5.21 1.01 -1.00 -1.61 120.40 115.23 2kfw s VAL 134 Ca 0.15 -1.79 0.02 0.00 0.00 0.00 0.00 61.98 60.36 2kfw s VAL 134 Cb -0.13 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2kfw s VAL 134 CO 0.04 -0.12 -0.08 -0.70 0.00 0.00 0.00 175.10 174.24 2kfw s GLU 135 N -2.34 0.62 0.18 2.72 2.12 -0.11 -2.27 118.70 119.61 2kfw s GLU 135 Ca 0.13 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 2kfw s GLU 135 Cb -0.08 -0.58 -0.07 0.00 0.26 0.00 0.00 34.13 33.65 2kfw s GLU 135 CO 0.06 0.16 0.96 0.08 -0.54 0.00 0.00 175.26 175.98 2kfw s VAL 136 N -0.31 4.26 -0.10 3.70 1.01 -0.47 -2.31 120.40 126.17 2kfw s VAL 136 Ca 0.02 2.06 -0.06 0.00 0.00 0.00 0.00 61.98 63.99 2kfw s VAL 136 Cb -0.04 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2kfw s VAL 136 CO -0.00 0.40 -0.15 0.52 0.00 0.00 0.00 175.10 175.87 2kfw n VAL 137 N 2.13 0.73 -3.98 2.92 0.31 -0.15 -1.05 118.33 119.24 2kfw n VAL 137 Ca 0.00 -0.10 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 2kfw n VAL 137 Cb 0.48 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.23 -0.02 -0.28 3.52 0.00 -1.25 -4.65 121.76 116.85 2kfw s ALA 138 Ca -0.16 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2kfw s ALA 138 Cb 0.06 0.98 0.15 0.00 0.00 0.00 0.00 23.12 24.31 2kfw s ALA 138 CO 0.20 -0.72 0.39 0.42 0.00 0.00 0.00 175.76 176.05 2kfw s ILE 139 N -4.00 -0.60 0.11 0.00 1.01 -1.25 -3.21 121.20 113.27 2kfw s ILE 139 Ca 0.21 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.65 2kfw s ILE 139 Cb 0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 2kfw s ILE 139 CO 0.04 -0.26 -0.13 -0.13 0.00 0.00 0.00 174.94 174.45 2kfw s ARG 140 N 2.53 0.97 0.50 2.79 0.52 -0.67 -4.90 118.95 120.69 2kfw s ARG 140 Ca 0.10 -1.20 -0.22 0.00 -0.52 0.00 0.00 55.73 53.90 2kfw s ARG 140 Cb -0.13 -0.82 -0.06 0.00 0.52 0.00 0.00 34.95 34.46 2kfw s ARG 140 CO -0.27 0.15 1.20 -1.83 0.02 0.00 0.00 175.30 174.58 2kfw s GLU 141 N -2.61 3.50 0.49 3.54 1.03 -1.26 0.24 118.70 123.63 2kfw s GLU 141 Ca 0.07 1.85 -0.03 0.00 0.03 0.00 0.00 54.97 56.89 2kfw s GLU 141 Cb -0.05 -2.27 -0.01 0.00 -0.80 0.00 0.00 34.13 31.00 2kfw s GLU 141 CO 0.02 -0.79 0.76 0.00 -1.33 0.00 0.00 175.26 173.92 2kfw s ALA 142 N -1.53 3.52 1.12 -0.84 0.00 -1.25 -4.64 121.76 118.14 2kfw s ALA 142 Ca 0.68 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.69 2kfw s ALA 142 Cb -0.31 -2.39 0.23 0.00 0.00 0.00 0.00 23.12 20.65 2kfw s ALA 142 CO 0.36 -0.47 0.98 2.41 0.00 0.00 0.00 175.76 179.05 2kfw n THR 143 N -2.25 0.00 -0.33 0.00 -1.04 -1.26 -4.69 114.28 104.71 2kfw n THR 143 Ca 0.01 -0.56 -0.03 0.00 -2.04 0.00 0.00 64.05 61.43 2kfw n THR 143 Cb 0.57 -1.36 0.09 0.00 -1.82 0.00 0.00 70.33 67.81 2kfw n THR 143 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kfw h GLU 144 N 0.00 1.21 -0.08 -2.82 4.11 -1.99 -1.99 114.58 113.02 2kfw h GLU 144 Ca -0.35 -0.10 -0.18 0.00 0.07 0.00 0.00 59.36 58.81 2kfw h GLU 144 Cb 1.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2kfw h GLU 144 CO 0.23 0.84 -0.70 1.49 0.07 0.00 0.00 179.01 180.94 2kfw h GLU 145 N 1.23 0.38 -0.57 1.06 4.81 -1.98 -1.54 114.58 117.98 2kfw h GLU 145 Ca 0.32 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2kfw h GLU 145 Cb -0.07 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2kfw h GLU 145 CO -0.06 0.94 0.28 0.93 -0.73 0.00 0.00 179.01 180.36 2kfw h GLU 146 N 0.26 0.81 0.00 1.92 4.39 -1.67 -1.19 114.58 119.11 2kfw h GLU 146 Ca -0.02 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2kfw h GLU 146 Cb 1.26 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2kfw h GLU 146 CO 0.12 0.65 0.00 -0.07 -1.16 0.00 0.00 179.01 178.55 2kfw h LEU 147 N 0.76 0.00 0.11 1.33 -0.00 -1.36 -0.76 115.31 115.39 2kfw h LEU 147 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.07 2kfw h LEU 147 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2kfw h LEU 147 CO -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 178.44 178.36 2kfw h ALA 148 N 2.31 -0.14 0.00 1.53 0.00 -0.30 -3.12 119.26 119.53 2kfw h ALA 148 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kfw h ALA 148 Cb 0.78 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kfw h ALA 148 CO 0.00 -0.23 0.00 0.72 0.00 0.00 0.00 179.25 179.74 2kfw n HIS 149 N -4.86 0.00 0.00 0.00 8.25 -0.54 -4.84 115.22 113.23 2kfw n HIS 149 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2kfw n HIS 149 Cb 0.28 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2kfw n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 150 N 0.57 3.08 3.28 -1.41 0.00 -1.11 -4.98 105.19 104.62 2kfw n GLY 150 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.30 0.10 -0.25 1.61 -3.43 -0.31 -4.44 115.29 106.27 2kfw s HIS 151 Ca 0.00 -0.48 -0.29 0.00 -0.80 0.00 0.00 55.06 53.49 2kfw s HIS 151 Cb 0.00 0.05 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 2kfw s HIS 151 CO 0.00 -0.64 1.06 0.54 -2.00 0.00 0.00 174.74 173.70 2kfw s VAL 152 N -3.87 4.62 0.00 -5.38 0.11 -1.25 -4.49 120.40 110.14 2kfw s VAL 152 Ca 0.07 1.93 0.00 0.00 -2.93 0.00 0.00 61.98 61.05 2kfw s VAL 152 Cb 0.03 -4.33 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 2kfw s VAL 152 CO -0.08 -0.26 0.00 1.57 -3.33 0.00 0.00 175.10 172.99 2kfw n HIS 153 N 6.49 -0.08 -3.56 1.54 -0.00 -1.26 -4.87 115.22 113.48 2kfw n HIS 153 Ca 0.12 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.10 2kfw n HIS 153 Cb 0.46 0.05 0.01 0.00 -0.12 0.00 0.00 29.99 30.40 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 -1.18 3.71 1.57 0.00 -1.26 -4.84 105.19 103.18 2kfw n GLY 154 Ca 0.00 0.51 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 155 N -2.93 1.28 -0.02 4.61 0.00 -1.26 -4.94 120.51 117.25 2kfw n ALA 155 Ca -0.15 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 2kfw n ALA 155 Cb 0.60 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 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 1.67 -0.08 0.02 0.00 6.17 -1.96 -3.40 115.15 117.56 2kfw h HIS 156 Ca -0.49 -0.00 -0.24 0.00 0.71 0.00 0.00 60.37 60.35 2kfw h HIS 156 Cb 1.31 0.03 -0.03 0.00 2.52 0.00 0.00 27.41 31.23 2kfw h HIS 156 CO 0.46 0.29 -1.31 -0.44 0.71 0.00 0.00 177.93 177.64 2kfw h ASP 157 N -0.99 0.06 -5.99 3.26 3.32 -2.03 -3.48 116.42 110.57 2kfw h ASP 157 Ca -0.01 -0.58 -0.40 0.00 0.02 0.00 0.00 57.03 56.06 2kfw h ASP 157 Cb 0.40 -0.02 0.08 0.00 0.22 0.00 0.00 39.33 40.01 2kfw h ASP 157 CO 0.01 1.52 -0.82 1.57 -1.72 0.00 0.00 179.24 179.81 2kfw n HIS 158 N -4.32 -1.97 -4.77 4.55 -0.00 -1.26 -4.98 115.22 102.47 2kfw n HIS 158 Ca -0.31 0.85 -0.33 0.00 -0.00 0.00 0.00 57.72 57.93 2kfw n HIS 158 Cb 0.72 -4.52 -0.15 0.00 -0.00 0.00 0.00 29.99 26.04 2kfw n HIS 158 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kfw s HIS 159 N -3.60 2.77 -0.74 1.57 5.04 -1.26 -5.02 115.29 114.05 2kfw s HIS 159 Ca 0.01 -0.81 -0.03 0.00 -1.54 0.00 0.00 55.06 52.69 2kfw s HIS 159 Cb -0.00 -1.84 0.18 0.00 0.04 0.00 0.00 32.58 30.96 2kfw s HIS 159 CO 0.79 -0.32 2.41 0.72 -2.34 0.00 0.00 174.74 176.01 2kfw n HIS 160 N 3.68 2.26 -1.56 3.88 8.25 -1.26 -4.99 115.22 125.48 2kfw n HIS 160 Ca -0.18 -2.22 -0.32 0.00 -0.26 0.00 0.00 57.72 54.73 2kfw n HIS 160 Cb 0.52 -1.36 0.06 0.00 1.12 0.00 0.00 29.99 30.34 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 -0.25 4.88 -0.35 0.41 1.11 -1.26 -4.99 116.67 116.22 2kfw s ASP 161 Ca 0.54 1.92 0.04 0.00 0.18 0.00 0.00 52.55 55.23 2kfw s ASP 161 Cb 0.36 -2.54 0.26 0.00 1.07 0.00 0.00 42.92 42.08 2kfw s ASP 161 CO -0.26 -1.79 1.28 0.00 1.18 0.00 0.00 175.17 175.58 2kfw n HIS 162 N -2.87 -0.89 0.00 4.23 1.44 -1.26 -5.02 115.22 110.84 2kfw n HIS 162 Ca 0.10 -1.01 0.00 0.00 -2.01 0.00 0.00 57.72 54.80 2kfw n HIS 162 Cb 0.52 1.27 0.00 0.00 0.12 0.00 0.00 29.99 31.91 2kfw n HIS 162 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 163 N 0.14 0.00 -3.71 4.39 -0.08 -1.26 -5.00 116.55 111.04 2kfw n ASP 163 Ca -0.10 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.76 2kfw n ASP 163 Cb 0.73 0.31 -0.04 0.00 2.34 0.00 0.00 41.12 44.46 2kfw n ASP 163 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2kfw n HIS 164 N -2.19 2.42 -3.40 -0.67 8.25 -1.26 -4.75 115.22 113.61 2kfw n HIS 164 Ca 0.00 -2.13 -0.15 0.00 -0.26 0.00 0.00 57.72 55.18 2kfw n HIS 164 Cb 0.00 -1.99 -0.10 0.00 1.12 0.00 0.00 29.99 29.02 2kfw n HIS 164 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kfw s ASP 165 N 4.55 1.14 -0.29 0.41 1.01 -1.26 -5.12 116.67 117.11 2kfw s ASP 165 Ca 0.55 -0.35 -0.16 0.00 0.71 0.00 0.00 52.55 53.30 2kfw s ASP 165 Cb 0.14 0.67 0.16 0.00 1.01 0.00 0.00 42.92 44.90 2kfw s ASP 165 CO 0.06 -0.35 1.02 -0.83 0.21 0.00 0.00 175.17 175.29 2kfw s GLY 166 N 2.41 0.01 -0.62 0.21 0.00 -1.26 -5.09 107.32 102.98 2kfw s GLY 166 Ca 0.10 3.21 0.06 0.00 0.00 0.00 0.00 44.72 48.08 2kfw s GLY 166 CO -0.23 2.88 0.70 0.00 0.00 0.00 0.00 173.10 176.46 2kfw n GLY 169 N -1.05 -0.24 0.00 0.00 0.00 -1.26 -4.60 105.19 98.04 2kfw n GLY 169 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 6.21 3.50 3.57 -0.02 0.00 -1.26 -5.04 105.19 112.15 2kfw n GLY 170 Ca 0.55 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 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 2.18 2.42 -1.49 1.61 5.65 -1.26 -4.63 115.29 119.77 2kfw s HIS 171 Ca 0.00 -0.69 0.13 0.00 0.25 0.00 0.00 55.06 54.75 2kfw s HIS 171 Cb 0.00 -4.52 0.21 0.00 -1.18 0.00 0.00 32.58 27.09 2kfw s HIS 171 CO 0.00 -1.76 1.07 0.41 -0.65 0.00 0.00 174.74 173.82 2kfw n GLY 172 N 6.22 0.96 3.55 1.59 0.00 -1.26 -4.99 105.19 111.26 2kfw n GLY 172 Ca 0.41 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2kfw n GLY 172 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 173 N -1.08 -0.65 0.07 1.61 -3.43 -1.26 -5.17 115.29 105.38 2kfw s HIS 173 Ca 0.21 1.24 -0.01 0.00 -0.80 0.00 0.00 55.06 55.70 2kfw s HIS 173 Cb 0.13 0.38 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 2kfw s HIS 173 CO 0.18 -0.52 0.05 -0.40 -2.00 0.00 0.00 174.74 172.04 2kfw n ASP 174 N 1.30 -1.74 -3.15 7.38 5.75 -1.26 -5.06 116.55 119.77 2kfw n ASP 174 Ca -0.17 -0.21 0.05 0.00 -0.01 0.00 0.00 54.79 54.45 2kfw n ASP 174 Cb 0.57 -0.05 -0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2kfw n ASP 174 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2kfw s HIS 175 N -1.07 -0.71 0.18 2.11 -3.43 -1.26 -5.13 115.29 105.98 2kfw s HIS 175 Ca 0.03 0.51 -0.31 0.00 -0.80 0.00 0.00 55.06 54.49 2kfw s HIS 175 Cb -0.00 0.16 -0.16 0.00 -1.43 0.00 0.00 32.58 31.14 2kfw s HIS 175 CO 0.03 -0.41 0.93 0.41 -2.00 0.00 0.00 174.74 173.70 2kfw n GLY 176 N 5.26 -0.60 3.53 -1.38 0.00 -1.26 -4.89 105.19 105.85 2kfw n GLY 176 Ca 0.04 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.57 3.21 -0.50 1.61 3.76 -1.26 -4.97 115.29 116.56 2kfw s HIS 177 Ca 0.70 -0.11 0.08 0.00 -0.15 0.00 0.00 55.06 55.58 2kfw s HIS 177 Cb -0.91 -2.68 0.34 0.00 1.11 0.00 0.00 32.58 30.44 2kfw s HIS 177 CO 0.55 -0.47 0.86 0.39 -0.85 0.00 0.00 174.74 175.22 2kfw n GLU 178 N 5.38 2.37 -0.01 1.40 1.02 -1.26 -4.84 120.64 124.71 2kfw n GLU 178 Ca -0.09 -4.31 0.14 0.00 -0.02 0.00 0.00 57.16 52.88 2kfw n GLU 178 Cb 0.49 -2.03 0.72 0.00 -0.02 0.00 0.00 31.44 30.60 2kfw n GLU 178 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kfw n HIS 179 N -0.00 0.02 0.00 -0.32 8.25 -1.26 -4.84 115.22 117.07 2kfw n HIS 179 Ca 0.29 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2kfw n HIS 179 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 180 N 1.03 -0.57 0.00 -1.41 0.00 -1.26 -5.19 105.19 97.79 2kfw n GLY 180 Ca 0.20 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.59 3.74 -0.02 0.00 -1.26 -5.14 105.19 101.92 2kfw n GLY 181 Ca 0.00 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 2kfw n GLY 181 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kfw s GLU 182 N -1.03 3.23 -0.49 1.61 2.12 -1.26 -5.07 118.70 117.82 2kfw s GLU 182 Ca 0.00 -0.32 -0.15 0.00 0.36 0.00 0.00 54.97 54.86 2kfw s GLU 182 Cb 0.00 -2.96 0.09 0.00 0.26 0.00 0.00 34.13 31.52 2kfw s GLU 182 CO 0.00 0.68 0.42 0.20 -0.54 0.00 0.00 175.26 176.02 2kfw s GLY 183 N -0.79 2.06 -0.28 -1.50 0.00 -1.26 -4.90 107.32 100.65 2kfw s GLY 183 Ca 0.13 -2.25 0.12 0.00 0.00 0.00 0.00 44.72 42.72 2kfw s GLY 183 CO 0.03 1.09 1.67 0.00 0.00 0.00 0.00 173.10 175.89 2kfw n GLY 186 N 2.20 3.21 7.00 0.00 0.00 -1.26 -5.07 105.19 111.26 2kfw n GLY 186 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.81 1.23 3.37 -0.02 0.00 -1.26 -4.65 105.19 103.05 2kfw n GLY 187 Ca 0.00 0.55 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 2kfw n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kfw n LYS 188 N 0.00 0.28 0.00 1.61 5.02 -1.26 -4.91 118.16 118.90 2kfw n LYS 188 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2kfw n LYS 188 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kfw n GLY 189 N 2.08 4.59 0.00 0.72 0.00 -1.26 -4.82 105.19 106.49 2kfw n GLY 189 Ca 0.09 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.72 0.00 1.61 2.85 -1.26 -4.97 115.26 114.21 2kfw n ASN 190 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2kfw n ASN 190 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 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 3.81 3.57 0.00 8.20 0.00 -1.26 -4.93 105.19 114.58 2kfw n GLY 191 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2kfw n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 192 N 0.00 -1.33 7.00 -0.02 0.00 -1.26 -5.15 105.19 104.43 2kfw n GLY 192 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2kfw n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 194 N 0.00 -1.18 1.51 0.00 0.00 -1.26 -5.11 105.19 99.15 2kfw n GLY 194 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32