#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 1.68 0.71 3.17 2.47 -1.26 -3.85 119.74 122.66 2kfw s LYS 2 Ca 0.00 -0.71 -0.15 0.00 -1.56 0.00 0.00 55.97 53.55 2kfw s LYS 2 Cb 0.00 -1.60 0.03 0.00 -1.46 0.00 0.00 37.83 34.80 2kfw s LYS 2 CO 0.00 0.41 1.15 0.54 0.16 0.00 0.00 175.35 177.61 2kfw s VAL 3 N -0.40 2.79 0.05 4.02 0.11 -1.26 -4.86 120.40 120.84 2kfw s VAL 3 Ca 0.06 0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 59.39 2kfw s VAL 3 Cb -0.08 -2.87 -0.00 0.00 -1.53 0.00 0.00 36.38 31.89 2kfw s VAL 3 CO -0.00 -0.23 0.16 0.00 -3.33 0.00 0.00 175.10 171.70 2kfw s ALA 4 N -2.23 -0.22 0.00 1.54 0.00 -1.26 -4.51 121.76 115.07 2kfw s ALA 4 Ca 0.70 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2kfw s ALA 4 Cb -0.24 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2kfw s ALA 4 CO 0.45 -0.39 0.80 1.17 0.00 0.00 0.00 175.76 177.78 2kfw n LYS 5 N 0.47 0.00 -1.20 0.00 0.00 -1.26 -2.45 118.16 113.73 2kfw n LYS 5 Ca -0.18 0.63 -0.39 0.00 0.00 0.00 0.00 58.31 58.38 2kfw n LYS 5 Cb 0.60 -1.30 -0.04 0.00 0.00 0.00 0.00 35.03 34.29 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2kfw n ASP 6 N -1.93 3.64 -3.24 3.14 5.75 -1.26 -2.06 116.55 120.60 2kfw n ASP 6 Ca 0.00 -2.64 -0.03 0.00 -0.01 0.00 0.00 54.79 52.11 2kfw n ASP 6 Cb 0.00 -1.25 -0.03 0.00 -1.03 0.00 0.00 41.12 38.80 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kfw s LEU 7 N 1.11 -1.14 0.28 -2.12 1.02 -1.02 -3.79 118.68 113.02 2kfw s LEU 7 Ca 0.52 -0.03 -0.29 0.00 0.02 0.00 0.00 54.13 54.36 2kfw s LEU 7 Cb 0.14 1.54 -0.14 0.00 0.02 0.00 0.00 46.19 47.75 2kfw s LEU 7 CO 0.03 -0.32 1.10 0.55 0.02 0.00 0.00 176.35 177.73 2kfw n VAL 8 N 5.39 1.80 -3.70 -1.59 3.14 0.77 -4.03 118.33 120.10 2kfw n VAL 8 Ca 0.02 -0.45 -0.28 0.00 -2.96 0.00 0.00 64.34 60.67 2kfw n VAL 8 Cb 0.51 -1.11 -0.16 0.00 -1.06 0.00 0.00 33.84 32.02 2kfw n VAL 8 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2kfw s VAL 9 N -0.89 0.44 -0.49 1.55 1.01 0.99 -1.66 120.40 121.34 2kfw s VAL 9 Ca 0.60 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 2kfw s VAL 9 Cb -0.69 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2kfw s VAL 9 CO 0.59 -0.31 0.80 -0.44 0.00 0.00 0.00 175.10 175.73 2kfw s SER 10 N 1.89 6.35 0.03 3.32 0.01 -1.23 -3.10 113.70 120.96 2kfw s SER 10 Ca 0.01 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.97 2kfw s SER 10 Cb -0.17 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 2kfw s SER 10 CO -0.12 -1.00 -0.07 -1.48 0.41 0.00 0.00 173.24 170.98 2kfw s LEU 11 N 3.35 2.17 0.16 2.44 2.34 -1.03 -0.13 118.68 127.97 2kfw s LEU 11 Ca 0.27 -0.39 0.05 0.00 0.06 0.00 0.00 54.13 54.12 2kfw s LEU 11 Cb -0.13 -0.22 -0.04 0.00 -0.56 0.00 0.00 46.19 45.24 2kfw s LEU 11 CO 0.20 -0.10 0.12 0.00 -1.06 0.00 0.00 176.35 175.51 2kfw s ALA 12 N -0.92 3.54 -0.01 1.48 0.00 -0.66 -3.42 121.76 121.78 2kfw s ALA 12 Ca -0.05 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.46 2kfw s ALA 12 Cb -0.07 -1.35 0.05 0.00 0.00 0.00 0.00 23.12 21.75 2kfw s ALA 12 CO 0.00 0.53 0.54 1.52 0.00 0.00 0.00 175.76 178.35 2kfw s TYR 13 N -1.71 -0.47 0.13 0.00 1.13 -1.26 0.41 117.35 115.58 2kfw s TYR 13 Ca 0.30 0.70 0.09 0.00 -1.41 0.00 0.00 57.07 56.76 2kfw s TYR 13 Cb -0.10 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 41.03 2kfw s TYR 13 CO 0.23 -0.57 -0.17 -0.65 -2.51 0.00 0.00 175.55 171.88 2kfw s GLN 14 N -1.67 1.83 -0.07 -3.49 -0.21 -0.50 -1.34 119.66 114.21 2kfw s GLN 14 Ca -0.10 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.11 2kfw s GLN 14 Cb -0.01 -2.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 2kfw s GLN 14 CO 0.05 0.47 -0.09 0.08 -2.12 0.00 0.00 175.29 173.68 2kfw s VAL 15 N -1.24 3.51 -0.04 1.09 1.01 0.57 -2.46 120.40 122.84 2kfw s VAL 15 Ca 0.19 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2kfw s VAL 15 Cb -0.10 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.87 2kfw s VAL 15 CO 0.11 0.59 0.08 -0.13 0.00 0.00 0.00 175.10 175.75 2kfw s ARG 16 N -0.67 0.06 0.11 2.72 0.52 -0.00 -2.75 118.95 118.95 2kfw s ARG 16 Ca 0.10 0.18 -0.00 0.00 -0.52 0.00 0.00 55.73 55.49 2kfw s ARG 16 Cb -0.11 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 2kfw s ARG 16 CO 0.01 -0.08 0.28 0.95 0.02 0.00 0.00 175.30 176.48 2kfw s THR 17 N 0.51 5.32 0.43 0.02 -4.23 0.98 -2.31 115.64 116.35 2kfw s THR 17 Ca -0.04 -0.39 0.27 0.00 -1.18 0.00 0.00 61.69 60.35 2kfw s THR 17 Cb -0.06 -3.67 0.46 0.00 1.34 0.00 0.00 72.50 70.58 2kfw s THR 17 CO -0.02 0.03 1.68 -0.08 -0.54 0.00 0.00 174.62 175.69 2kfw h GLU 18 N 2.68 0.17 0.00 3.99 4.81 -1.88 1.90 114.58 126.26 2kfw h GLU 18 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2kfw h GLU 18 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2kfw h GLU 18 CO 0.73 0.11 0.00 -3.47 -0.73 0.00 0.00 179.01 175.65 2kfw n ASP 19 N -4.63 0.00 0.00 1.04 2.03 -1.26 -4.77 116.55 108.95 2kfw n ASP 19 Ca 0.33 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2kfw n ASP 19 Cb 1.26 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfw n GLY 20 N -0.68 0.72 3.14 0.27 0.00 0.65 -5.05 105.19 104.24 2kfw n GLY 20 Ca 0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 1.92 0.65 1.61 1.01 -1.16 -4.85 120.40 117.58 2kfw s VAL 21 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2kfw s VAL 21 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2kfw s VAL 21 CO 0.00 0.52 1.04 -1.48 0.00 0.00 0.00 175.10 175.19 2kfw s LEU 22 N 0.82 3.23 0.00 3.92 -0.00 -1.26 -0.02 118.68 125.38 2kfw s LEU 22 Ca -0.08 1.57 0.00 0.00 -0.00 0.00 0.00 54.13 55.62 2kfw s LEU 22 Cb -0.16 -4.49 0.00 0.00 -0.00 0.00 0.00 46.19 41.54 2kfw s LEU 22 CO -0.01 -1.17 0.00 0.52 -0.00 0.00 0.00 176.35 175.69 2kfw n VAL 23 N -2.80 0.00 -3.58 1.48 0.31 -1.11 -4.87 118.33 107.76 2kfw n VAL 23 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 2kfw n VAL 23 Cb 0.54 -0.16 -0.05 0.00 -0.91 0.00 0.00 33.84 33.26 2kfw n VAL 23 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kfw s ASP 24 N -2.39 -0.31 -0.13 4.52 2.15 -1.26 -5.02 116.67 114.24 2kfw s ASP 24 Ca 0.00 0.30 -0.09 0.00 0.43 0.00 0.00 52.55 53.18 2kfw s ASP 24 Cb 0.00 0.26 0.04 0.00 -0.30 0.00 0.00 42.92 42.93 2kfw s ASP 24 CO 0.00 -0.32 0.33 -1.83 -0.17 0.00 0.00 175.17 173.18 2kfw s GLU 25 N -1.34 0.33 0.40 4.34 -1.05 -1.26 -0.31 118.70 119.81 2kfw s GLU 25 Ca 0.01 0.56 -0.26 0.00 -0.15 0.00 0.00 54.97 55.13 2kfw s GLU 25 Cb -0.01 0.04 -0.09 0.00 -0.44 0.00 0.00 34.13 33.64 2kfw s GLU 25 CO -0.01 -0.11 1.27 -1.12 0.95 0.00 0.00 175.26 176.25 2kfw s SER 26 N 0.80 6.37 -0.10 0.83 0.01 -0.45 -4.94 113.70 116.23 2kfw s SER 26 Ca -0.05 2.59 -0.30 0.00 1.31 0.00 0.00 55.95 59.50 2kfw s SER 26 Cb -0.06 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 2kfw s SER 26 CO -0.06 -0.80 1.35 -2.16 0.41 0.00 0.00 173.24 171.99 2kfw s PRO 27 N -2.23 4.25 0.55 12.44 0.04 -1.26 -4.76 135.00 144.03 2kfw s PRO 27 Ca 0.57 1.82 0.37 0.00 0.04 0.00 0.00 61.00 63.79 2kfw s PRO 27 Cb -0.37 -3.73 1.99 0.00 0.04 0.00 0.00 34.50 32.43 2kfw s PRO 27 CO 0.47 -0.66 2.12 -0.39 0.04 0.00 0.00 177.00 178.58 2kfw h VAL 28 N 5.32 0.00 -0.09 -0.36 -1.51 -2.01 0.14 116.25 117.74 2kfw h VAL 28 Ca -0.32 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2kfw h VAL 28 Cb 1.14 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2kfw h VAL 28 CO 0.94 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.74 2kfw n SER 29 N -2.79 1.57 -3.12 4.19 3.41 -1.26 -4.66 113.62 110.96 2kfw n SER 29 Ca -0.02 -1.60 0.03 0.00 -0.26 0.00 0.00 58.87 57.02 2kfw n SER 29 Cb 0.06 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kfw s ALA 30 N -1.90 -2.93 0.43 7.33 0.00 0.50 -5.15 121.76 120.04 2kfw s ALA 30 Ca 0.35 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 2kfw s ALA 30 Cb 0.19 -2.72 -0.08 0.00 0.00 0.00 0.00 23.12 20.51 2kfw s ALA 30 CO 0.30 -2.09 1.10 -1.25 0.00 0.00 0.00 175.76 173.82 2kfw s PRO 31 N 2.40 3.97 -0.40 0.00 0.04 -1.25 -4.11 135.00 135.66 2kfw s PRO 31 Ca 0.15 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2kfw s PRO 31 Cb -0.05 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.03 2kfw s PRO 31 CO -0.18 -0.33 1.27 -1.17 0.04 0.00 0.00 177.00 176.63 2kfw s LEU 32 N -2.82 3.71 -0.22 -3.56 1.98 -1.22 -4.77 118.68 111.77 2kfw s LEU 32 Ca 0.60 0.83 -0.10 0.00 -2.89 0.00 0.00 54.13 52.57 2kfw s LEU 32 Cb -0.25 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.01 2kfw s LEU 32 CO 0.31 -1.24 0.16 -1.81 -1.89 0.00 0.00 176.35 171.88 2kfw s ASP 33 N 2.97 6.16 0.23 3.68 1.11 -1.26 -2.45 116.67 127.11 2kfw s ASP 33 Ca 0.54 0.17 -0.22 0.00 0.18 0.00 0.00 52.55 53.22 2kfw s ASP 33 Cb -0.12 -2.10 0.04 0.00 1.07 0.00 0.00 42.92 41.80 2kfw s ASP 33 CO 0.28 0.10 0.74 -0.72 1.18 0.00 0.00 175.17 176.76 2kfw s TYR 34 N 0.81 -0.25 0.94 4.23 1.13 -1.18 -3.38 117.35 119.64 2kfw s TYR 34 Ca 0.08 -0.13 -0.12 0.00 -1.41 0.00 0.00 57.07 55.49 2kfw s TYR 34 Cb -0.13 0.67 0.15 0.00 -1.10 0.00 0.00 41.96 41.55 2kfw s TYR 34 CO 0.02 -1.08 1.10 -0.51 -2.51 0.00 0.00 175.55 172.57 2kfw s LEU 35 N -2.88 1.93 -0.26 -3.49 1.43 -1.25 -0.01 118.68 114.15 2kfw s LEU 35 Ca 0.09 1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 54.29 2kfw s LEU 35 Cb -0.04 -3.51 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2kfw s LEU 35 CO 0.02 -2.77 0.16 -2.28 0.23 0.00 0.00 176.35 171.71 2kfw s HIS 36 N -3.06 3.22 0.00 0.29 5.65 -0.87 -4.33 115.29 116.19 2kfw s HIS 36 Ca 0.64 0.05 0.00 0.00 0.25 0.00 0.00 55.06 56.00 2kfw s HIS 36 Cb -0.17 -2.33 0.00 0.00 -1.18 0.00 0.00 32.58 28.90 2kfw s HIS 36 CO 0.56 -0.14 0.00 0.41 -0.65 0.00 0.00 174.74 174.92 2kfw n GLY 37 N 4.83 2.79 2.72 1.59 0.00 -1.26 -4.05 105.19 111.81 2kfw n GLY 37 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2kfw n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 38 N -0.98 1.96 0.00 1.61 5.65 -1.26 -4.91 115.29 117.35 2kfw s HIS 38 Ca 0.00 -2.28 0.00 0.00 0.25 0.00 0.00 55.06 53.03 2kfw s HIS 38 Cb 0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 32.58 29.53 2kfw s HIS 38 CO 0.00 -0.81 0.00 0.41 -0.65 0.00 0.00 174.74 173.69 2kfw n GLY 39 N 3.86 -2.10 0.00 1.59 0.00 -1.24 -4.14 105.19 103.17 2kfw n GLY 39 Ca 0.06 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfw n SER 40 N -1.51 0.00 -4.57 1.61 2.88 -1.26 -4.69 113.62 106.08 2kfw n SER 40 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 2kfw n SER 40 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kfw n LEU 41 N -0.42 2.16 -4.56 2.46 4.77 -1.26 -4.89 117.00 115.27 2kfw n LEU 41 Ca 0.00 0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 56.60 2kfw n LEU 41 Cb 0.00 -1.30 0.12 0.00 -2.33 0.00 0.00 43.42 39.91 2kfw n LEU 41 CO 0.00 -1.91 0.35 2.30 -1.33 0.00 0.00 177.39 176.80 2kfw n ILE 42 N -0.84 1.09 -0.00 -0.08 -5.35 -1.26 -4.84 119.36 108.08 2kfw n ILE 42 Ca 0.11 -0.21 -0.18 0.00 -0.27 0.00 0.00 62.75 62.20 2kfw n ILE 42 Cb 0.41 -0.90 -0.09 0.00 -1.74 0.00 0.00 39.64 37.32 2kfw n ILE 42 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2kfw h SER 43 N -1.14 0.75 -1.23 7.28 0.87 -1.90 -2.73 113.55 115.46 2kfw h SER 43 Ca -0.45 -0.69 0.39 0.00 -1.23 0.00 0.00 61.79 59.81 2kfw h SER 43 Cb 1.30 -0.23 -0.12 0.00 -0.44 0.00 0.00 62.40 62.91 2kfw h SER 43 CO 0.41 1.33 0.79 1.23 -0.53 0.00 0.00 176.83 180.06 2kfw h GLY 44 N 0.24 1.29 1.19 5.77 0.00 -1.92 0.63 103.07 110.27 2kfw h GLY 44 Ca -0.07 -0.14 -0.29 0.00 0.00 0.00 0.00 47.33 46.83 2kfw h GLY 44 CO 0.14 -0.33 -1.57 -2.00 0.00 0.00 0.00 176.54 172.78 2kfw h LEU 45 N 0.17 0.16 -0.40 3.11 5.85 -1.85 -3.35 115.31 119.00 2kfw h LEU 45 Ca 0.76 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 59.17 2kfw h LEU 45 Cb 2.27 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 43.23 2kfw h LEU 45 CO -0.39 1.23 0.11 -0.33 -0.34 0.00 0.00 178.44 178.72 2kfw h GLU 46 N 0.03 0.63 -0.84 1.25 4.39 0.47 -2.58 114.58 117.93 2kfw h GLU 46 Ca -0.24 -0.14 0.16 0.00 0.34 0.00 0.00 59.36 59.47 2kfw h GLU 46 Cb 1.98 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 30.48 2kfw h GLU 46 CO 0.11 0.64 0.55 1.15 -1.16 0.00 0.00 179.01 180.31 2kfw h THR 47 N 0.51 0.78 0.00 1.13 2.02 -1.05 0.18 112.91 116.48 2kfw h THR 47 Ca 0.13 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 2kfw h THR 47 Cb 0.29 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2kfw h THR 47 CO -0.00 0.10 -0.41 0.00 0.37 0.00 0.00 175.52 175.57 2kfw h ALA 48 N 1.62 1.13 -0.58 6.16 0.00 -1.60 -2.99 119.26 122.99 2kfw h ALA 48 Ca 0.42 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2kfw h ALA 48 Cb 0.86 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2kfw h ALA 48 CO -0.17 0.51 0.11 -0.07 0.00 0.00 0.00 179.25 179.64 2kfw h LEU 49 N 0.00 0.87 -8.92 0.00 3.38 -0.48 -3.40 115.31 106.75 2kfw h LEU 49 Ca -0.00 -0.18 -0.82 0.00 0.09 0.00 0.00 57.88 56.96 2kfw h LEU 49 Cb 0.83 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2kfw h LEU 49 CO 0.05 0.87 0.84 1.21 0.09 0.00 0.00 178.44 181.50 2kfw n GLU 50 N -4.24 0.34 -3.53 1.13 2.13 -1.13 -0.49 120.64 114.84 2kfw n GLU 50 Ca 0.04 0.12 -0.23 0.00 0.66 0.00 0.00 57.16 57.76 2kfw n GLU 50 Cb 0.26 -1.69 0.05 0.00 0.27 0.00 0.00 31.44 30.33 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 4.50 -0.84 1.04 8.31 0.00 -1.26 -4.89 105.19 112.05 2kfw n GLY 51 Ca 0.33 0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.85 2kfw n GLY 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 52 N -3.89 0.42 -2.09 1.61 1.44 0.35 -4.96 115.22 108.11 2kfw n HIS 52 Ca -0.15 -0.24 0.00 0.00 -2.01 0.00 0.00 57.72 55.32 2kfw n HIS 52 Cb 0.63 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.73 2kfw n HIS 52 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2kfw n GLU 53 N 1.33 -5.60 -1.95 -1.40 -0.58 -1.25 -4.26 120.64 106.92 2kfw n GLU 53 Ca 0.17 3.97 -0.42 0.00 -0.42 0.00 0.00 57.16 60.46 2kfw n GLU 53 Cb 0.56 -4.31 -0.03 0.00 -0.57 0.00 0.00 31.44 27.10 2kfw n GLU 53 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kfw s VAL 54 N -0.52 3.49 0.00 2.62 1.01 -1.26 -1.94 120.40 123.80 2kfw s VAL 54 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2kfw s VAL 54 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2kfw s VAL 54 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2kfw n GLY 55 N 4.31 0.74 3.97 4.51 0.00 -0.75 -4.85 105.19 113.12 2kfw n GLY 55 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2kfw n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfw s ASP 56 N -1.76 5.04 -0.17 1.61 1.11 -0.82 -4.87 116.67 116.81 2kfw s ASP 56 Ca 0.00 -0.89 -0.06 0.00 0.18 0.00 0.00 52.55 51.78 2kfw s ASP 56 Cb 0.00 0.08 0.08 0.00 1.07 0.00 0.00 42.92 44.14 2kfw s ASP 56 CO 0.00 -1.10 0.36 -1.59 1.18 0.00 0.00 175.17 174.02 2kfw s LYS 57 N -4.44 0.27 0.41 8.23 -2.85 -1.26 -1.25 119.74 118.85 2kfw s LYS 57 Ca 0.51 0.88 0.07 0.00 -1.00 0.00 0.00 55.97 56.44 2kfw s LYS 57 Cb -0.05 0.14 -0.06 0.00 -2.06 0.00 0.00 37.83 35.80 2kfw s LYS 57 CO 0.32 -0.24 0.15 -0.59 0.10 0.00 0.00 175.35 175.08 2kfw s PHE 58 N 2.31 2.60 -0.03 1.78 -0.12 -0.68 -4.85 117.98 118.99 2kfw s PHE 58 Ca -0.02 -0.58 0.03 0.00 -0.05 0.00 0.00 56.93 56.30 2kfw s PHE 58 Cb -0.11 -1.91 0.00 0.00 -0.63 0.00 0.00 43.02 40.37 2kfw s PHE 58 CO -0.11 0.24 -0.11 0.16 -0.05 0.00 0.00 175.22 175.34 2kfw s ASP 59 N -3.87 1.42 -0.02 1.98 1.47 -1.26 -0.80 116.67 115.59 2kfw s ASP 59 Ca 0.40 -0.22 -0.01 0.00 1.18 0.00 0.00 52.55 53.90 2kfw s ASP 59 Cb 0.04 -0.36 0.02 0.00 -0.34 0.00 0.00 42.92 42.28 2kfw s ASP 59 CO 0.22 0.09 0.05 -0.69 0.68 0.00 0.00 175.17 175.52 2kfw s VAL 60 N 0.12 -0.04 -0.39 2.11 1.01 -1.17 -5.00 120.40 117.04 2kfw s VAL 60 Ca -0.02 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 2kfw s VAL 60 Cb -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.22 2kfw s VAL 60 CO 0.01 0.06 1.13 0.00 0.00 0.00 0.00 175.10 176.30 2kfw s ALA 61 N 0.71 3.32 -0.23 5.51 0.00 -1.26 -3.84 121.76 125.97 2kfw s ALA 61 Ca -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 2kfw s ALA 61 Cb -0.08 -3.79 0.12 0.00 0.00 0.00 0.00 23.12 19.37 2kfw s ALA 61 CO -0.02 -1.89 0.41 0.08 0.00 0.00 0.00 175.76 174.34 2kfw s VAL 62 N 4.14 -0.65 0.00 0.00 1.01 -0.80 -4.87 120.40 119.22 2kfw s VAL 62 Ca 0.48 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2kfw s VAL 62 Cb -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2kfw s VAL 62 CO 0.24 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2kfw n GLY 63 N 5.38 -0.28 0.09 4.51 0.00 -1.26 -3.89 105.19 109.75 2kfw n GLY 63 Ca -0.05 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.30 2.55 0.18 4.61 0.00 -1.26 -0.34 120.51 124.94 2kfw n ALA 64 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 53.44 53.21 2kfw n ALA 64 Cb 0.00 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 0.00 0.00 0.00 -1.24 -1.92 -3.41 115.58 109.01 2kfw h ASN 65 Ca -0.01 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 2kfw h ASN 65 Cb 1.03 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.02 2kfw h ASN 65 CO 0.00 0.29 -0.11 -0.67 -1.29 0.00 0.00 177.43 175.65 2kfw n ASP 66 N -3.18 -0.56 0.00 1.15 2.03 -1.25 -5.11 116.55 109.63 2kfw n ASP 66 Ca 0.03 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.91 2kfw n ASP 66 Cb 0.64 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw n ALA 67 N -0.57 0.00 -1.81 -1.67 0.00 0.20 -4.02 120.51 112.65 2kfw n ALA 67 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 2kfw n ALA 67 Cb 0.63 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.13 2kfw n ALA 67 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kfw n TYR 68 N 0.00 3.10 0.00 0.00 0.18 -0.97 -4.50 117.16 114.97 2kfw n TYR 68 Ca 0.00 -2.65 0.00 0.00 1.88 0.00 0.00 57.90 57.13 2kfw n TYR 68 Cb 0.00 -1.05 0.00 0.00 -0.38 0.00 0.00 39.34 37.91 2kfw n TYR 68 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2kfw n GLY 69 N -0.67 -0.37 2.66 -7.48 0.00 0.54 -4.83 105.19 95.03 2kfw n GLY 69 Ca 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.53 2kfw n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLN 70 N 0.00 0.12 -2.67 1.61 0.00 -1.26 -4.94 117.38 110.24 2kfw n GLN 70 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 57.00 55.92 2kfw n GLN 70 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 30.24 30.09 2kfw n GLN 70 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2kfw s TYR 71 N 0.03 3.75 -1.34 2.61 6.14 -1.26 -4.28 117.35 123.01 2kfw s TYR 71 Ca 0.17 1.74 -0.14 0.00 0.64 0.00 0.00 57.07 59.48 2kfw s TYR 71 Cb 0.26 -3.12 0.10 0.00 0.42 0.00 0.00 41.96 39.62 2kfw s TYR 71 CO -0.18 -0.03 1.90 -3.47 0.64 0.00 0.00 175.55 174.40 2kfw n ASP 72 N 2.72 4.65 0.18 4.32 -0.08 -1.26 -4.71 116.55 122.37 2kfw n ASP 72 Ca 0.03 -2.95 0.14 0.00 -1.51 0.00 0.00 54.79 50.49 2kfw n ASP 72 Cb 0.48 -1.62 0.57 0.00 2.34 0.00 0.00 41.12 42.90 2kfw n ASP 72 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2kfw h GLU 73 N 6.50 0.00 0.00 -0.67 3.07 -1.98 -2.87 114.58 118.64 2kfw h GLU 73 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2kfw h GLU 73 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2kfw h GLU 73 CO 1.62 0.00 0.14 -2.95 -1.40 0.00 0.00 179.01 176.42 2kfw h ASN 74 N 0.00 0.00 0.61 1.42 -1.07 -2.03 0.12 115.58 114.62 2kfw h ASN 74 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.21 2kfw h ASN 74 Cb 0.38 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.60 2kfw h ASN 74 CO 0.00 0.00 -1.52 -0.11 0.07 0.00 0.00 177.43 175.87 2kfw n LEU 75 N -2.43 0.73 -4.69 6.14 -0.00 -1.08 -4.92 117.00 110.75 2kfw n LEU 75 Ca -0.02 0.32 -0.42 0.00 -0.00 0.00 0.00 56.01 55.89 2kfw n LEU 75 Cb 0.18 0.10 -0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2kfw n LEU 75 CO 0.11 0.15 0.88 0.55 -0.00 0.00 0.00 177.39 179.08 2kfw n VAL 76 N -2.82 2.06 -4.02 1.96 3.14 0.40 -4.95 118.33 114.09 2kfw n VAL 76 Ca -0.11 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.42 2kfw n VAL 76 Cb 0.83 -1.54 -0.13 0.00 -1.06 0.00 0.00 33.84 31.95 2kfw n VAL 76 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2kfw s GLN 77 N -1.90 3.60 -0.30 1.45 -0.21 -0.46 -4.96 119.66 116.88 2kfw s GLN 77 Ca 0.56 -0.53 -0.09 0.00 0.02 0.00 0.00 55.36 55.32 2kfw s GLN 77 Cb -0.57 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.33 2kfw s GLN 77 CO 0.62 -0.03 0.13 -0.98 -2.12 0.00 0.00 175.29 172.91 2kfw s ARG 78 N 1.12 3.43 -0.26 2.91 1.70 -1.26 -1.32 118.95 125.26 2kfw s ARG 78 Ca 0.03 -0.65 -0.20 0.00 -0.47 0.00 0.00 55.73 54.43 2kfw s ARG 78 Cb -0.14 -3.51 0.07 0.00 -0.57 0.00 0.00 34.95 30.80 2kfw s ARG 78 CO 0.01 -0.35 0.68 0.08 -1.08 0.00 0.00 175.30 174.64 2kfw s VAL 79 N 1.62 -0.00 0.74 4.99 1.01 -0.11 -4.98 120.40 123.67 2kfw s VAL 79 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 2kfw s VAL 79 Cb -0.17 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.29 2kfw s VAL 79 CO 0.06 0.00 1.08 -2.16 0.00 0.00 0.00 175.10 174.08 2kfw s PRO 80 N 0.89 2.55 0.00 2.72 0.04 -1.26 -2.88 135.00 137.06 2kfw s PRO 80 Ca -0.04 1.08 0.18 0.00 0.04 0.00 0.00 61.00 62.25 2kfw s PRO 80 Cb -0.05 -1.94 1.03 0.00 0.04 0.00 0.00 34.50 33.58 2kfw s PRO 80 CO -0.08 -1.41 1.50 1.63 0.04 0.00 0.00 177.00 178.68 2kfw n LYS 81 N -3.36 0.47 0.00 4.56 4.01 -1.26 -2.98 118.16 119.60 2kfw n LYS 81 Ca 0.08 0.04 0.09 0.00 -0.51 0.00 0.00 58.31 58.02 2kfw n LYS 81 Cb 0.53 -1.50 0.54 0.00 -0.51 0.00 0.00 35.03 34.09 2kfw n LYS 81 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2kfw n ASP 82 N -1.09 0.00 -0.47 4.39 8.00 -1.26 -2.64 116.55 123.47 2kfw n ASP 82 Ca 0.12 -0.47 0.07 0.00 0.71 0.00 0.00 54.79 55.22 2kfw n ASP 82 Cb 0.09 -0.05 0.18 0.00 -0.02 0.00 0.00 41.12 41.32 2kfw n ASP 82 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2kfw n VAL 83 N -1.05 2.12 -2.71 2.53 3.14 -1.16 -4.76 118.33 116.44 2kfw n VAL 83 Ca 0.13 -2.49 -0.27 0.00 -2.96 0.00 0.00 64.34 58.75 2kfw n VAL 83 Cb 0.08 -0.25 -0.02 0.00 -1.06 0.00 0.00 33.84 32.59 2kfw n VAL 83 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 2kfw n PHE 84 N -1.16 3.69 0.07 1.45 -1.74 -1.08 -4.85 117.46 113.83 2kfw n PHE 84 Ca 0.20 -3.54 0.20 0.00 -0.56 0.00 0.00 57.45 53.75 2kfw n PHE 84 Cb 0.75 -0.28 0.64 0.00 1.52 0.00 0.00 39.48 42.10 2kfw n PHE 84 CO 0.00 0.00 0.00 1.98 -0.56 0.00 0.00 176.76 178.18 2kfw h MET 85 N 2.78 0.00 0.00 3.97 4.05 -1.85 -3.32 114.93 120.55 2kfw h MET 85 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2kfw h MET 85 Cb 0.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 2kfw h MET 85 CO 0.83 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.38 2kfw n GLY 86 N -1.50 1.83 1.75 1.39 0.00 -1.26 -5.05 105.19 102.35 2kfw n GLY 86 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2kfw n GLY 86 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kfw n VAL 87 N 0.00 -9.75 -0.02 1.61 0.31 -1.25 -4.95 118.33 104.27 2kfw n VAL 87 Ca 0.00 2.21 0.07 0.00 -0.01 0.00 0.00 64.34 66.61 2kfw n VAL 87 Cb 0.00 -4.78 -0.16 0.00 -0.91 0.00 0.00 33.84 27.99 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2kfw n ASP 88 N 1.25 0.28 -2.09 4.52 5.68 -1.26 -4.77 116.55 120.16 2kfw n ASP 88 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2kfw n ASP 88 Cb 0.00 1.77 0.05 0.00 -1.14 0.00 0.00 41.12 41.80 2kfw n ASP 88 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2kfw n GLU 89 N -2.30 0.56 -2.09 0.11 0.00 -1.26 -5.13 120.64 110.52 2kfw n GLU 89 Ca -0.09 -0.58 -0.42 0.00 0.00 0.00 0.00 57.16 56.07 2kfw n GLU 89 Cb 0.64 0.15 -0.03 0.00 0.00 0.00 0.00 31.44 32.20 2kfw n GLU 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2kfw s LEU 90 N -1.83 4.39 -0.03 -1.84 2.96 -1.26 -5.00 118.68 116.07 2kfw s LEU 90 Ca 0.05 2.49 -0.16 0.00 -0.22 0.00 0.00 54.13 56.29 2kfw s LEU 90 Cb 0.18 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.30 2kfw s LEU 90 CO -0.05 -0.67 0.35 -1.58 -1.32 0.00 0.00 176.35 173.08 2kfw s GLN 91 N 0.42 0.69 -0.37 1.98 -0.44 -1.26 -5.03 119.66 115.65 2kfw s GLN 91 Ca 0.62 -0.10 -0.43 0.00 -2.50 0.00 0.00 55.36 52.96 2kfw s GLN 91 Cb -0.39 0.31 -0.17 0.00 -1.64 0.00 0.00 33.01 31.11 2kfw s GLN 91 CO 0.36 -0.19 1.71 0.28 0.50 0.00 0.00 175.29 177.96 2kfw n VAL 92 N 1.36 0.18 -0.15 1.34 0.31 -1.26 0.16 118.33 120.27 2kfw n VAL 92 Ca -0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2kfw n VAL 92 Cb 0.56 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 2kfw n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kfw n GLY 93 N 4.28 0.73 3.77 2.92 0.00 -1.26 -5.05 105.19 110.58 2kfw n GLY 93 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.72 4.30 0.11 1.61 0.00 0.42 -4.85 119.30 120.17 2kfw s MET 94 Ca 0.00 0.76 0.05 0.00 0.00 0.00 0.00 55.69 56.50 2kfw s MET 94 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 34.83 31.48 2kfw s MET 94 CO 0.00 0.44 -0.12 -0.98 0.00 0.00 0.00 175.02 174.36 2kfw s ARG 95 N -0.45 0.95 0.06 4.11 1.04 -1.26 -3.23 118.95 120.17 2kfw s ARG 95 Ca 0.31 -1.21 -0.27 0.00 -1.04 0.00 0.00 55.73 53.52 2kfw s ARG 95 Cb -0.19 -0.74 0.09 0.00 -2.04 0.00 0.00 34.95 32.07 2kfw s ARG 95 CO 0.18 0.13 0.97 -0.59 -0.04 0.00 0.00 175.30 175.95 2kfw s PHE 96 N -2.29 -0.21 -0.01 5.89 -0.71 -0.80 -4.95 117.98 114.89 2kfw s PHE 96 Ca 0.08 -0.00 -0.20 0.00 -1.04 0.00 0.00 56.93 55.76 2kfw s PHE 96 Cb -0.04 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.30 2kfw s PHE 96 CO 0.02 -0.65 0.58 -1.17 -1.34 0.00 0.00 175.22 172.66 2kfw s LEU 97 N -2.73 4.41 0.13 -1.99 2.96 -1.26 -2.20 118.68 118.00 2kfw s LEU 97 Ca 0.09 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.17 2kfw s LEU 97 Cb -0.01 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 2kfw s LEU 97 CO -0.03 0.11 0.17 0.00 -1.32 0.00 0.00 176.35 175.28 2kfw s ALA 98 N -0.18 3.71 -0.53 5.97 0.00 -0.14 -4.92 121.76 125.67 2kfw s ALA 98 Ca 0.30 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 2kfw s ALA 98 Cb -0.18 -1.53 0.14 0.00 0.00 0.00 0.00 23.12 21.55 2kfw s ALA 98 CO 0.17 0.60 0.37 -1.21 0.00 0.00 0.00 175.76 175.68 2kfw s GLU 99 N -2.93 2.45 0.71 0.00 0.41 -1.26 -1.28 118.70 116.81 2kfw s GLU 99 Ca 0.32 -2.06 -0.00 0.00 -0.41 0.00 0.00 54.97 52.81 2kfw s GLU 99 Cb -0.11 -3.81 0.12 0.00 -1.78 0.00 0.00 34.13 28.55 2kfw s GLU 99 CO 0.25 -1.16 0.98 0.99 -0.49 0.00 0.00 175.26 175.83 2kfw s THR 100 N 0.79 2.15 -0.07 3.63 2.01 -1.03 -4.98 115.64 118.15 2kfw s THR 100 Ca 0.11 -0.60 0.13 0.00 0.31 0.00 0.00 61.69 61.63 2kfw s THR 100 Cb -0.22 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 2kfw s THR 100 CO -0.03 0.00 1.37 -0.78 -0.69 0.00 0.00 174.62 174.49 2kfw h ASP 101 N -0.50 0.00 -0.10 3.53 1.82 -2.01 -3.15 116.42 116.01 2kfw h ASP 101 Ca -0.36 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 2kfw h ASP 101 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 2kfw h ASP 101 CO 0.41 0.66 0.00 0.00 -1.61 0.00 0.00 179.24 178.70 2kfw n GLN 102 N -3.26 1.26 0.00 0.28 10.64 -1.26 -4.98 117.38 120.06 2kfw n GLN 102 Ca 0.01 -0.37 0.00 0.00 -1.83 0.00 0.00 57.00 54.81 2kfw n GLN 102 Cb 0.80 -1.11 0.00 0.00 -0.86 0.00 0.00 30.24 29.08 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kfw n GLY 103 N 0.63 0.93 3.71 2.61 0.00 -1.19 -5.03 105.19 106.85 2kfw n GLY 103 Ca 0.03 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -1.01 4.42 -0.28 1.61 0.04 -1.26 -2.46 135.00 136.05 2kfw s PRO 104 Ca 0.00 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.88 2kfw s PRO 104 Cb 0.00 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 31.30 2kfw s PRO 104 CO 0.00 -0.28 0.03 0.08 0.04 0.00 0.00 177.00 176.87 2kfw s VAL 105 N 1.01 1.43 0.42 -0.36 1.01 -0.40 -4.92 120.40 118.59 2kfw s VAL 105 Ca 0.59 -1.52 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 2kfw s VAL 105 Cb -0.31 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 2kfw s VAL 105 CO 0.30 -0.43 1.10 -2.16 0.00 0.00 0.00 175.10 173.91 2kfw s PRO 106 N 1.38 4.02 -0.01 2.72 0.04 -1.26 -0.97 135.00 140.91 2kfw s PRO 106 Ca 0.04 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 2kfw s PRO 106 Cb -0.18 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2kfw s PRO 106 CO -0.13 -0.30 0.12 0.14 0.04 0.00 0.00 177.00 176.87 2kfw s VAL 107 N -1.60 0.06 -0.23 -0.36 -7.23 -0.93 -4.84 120.40 105.26 2kfw s VAL 107 Ca 0.60 -0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2kfw s VAL 107 Cb -0.25 -0.33 0.07 0.00 0.56 0.00 0.00 36.38 36.44 2kfw s VAL 107 CO 0.31 -0.26 0.04 -1.61 -0.31 0.00 0.00 175.10 173.27 2kfw s GLU 108 N -0.86 0.79 0.11 4.82 2.02 -1.26 -1.91 118.70 122.41 2kfw s GLU 108 Ca -0.09 -0.67 -0.31 0.00 0.02 0.00 0.00 54.97 53.91 2kfw s GLU 108 Cb -0.05 -2.13 -0.09 0.00 0.10 0.00 0.00 34.13 31.96 2kfw s GLU 108 CO 0.01 -0.73 1.63 -1.50 0.02 0.00 0.00 175.26 174.68 2kfw s ILE 109 N 1.74 2.83 -0.04 -1.63 2.07 -1.20 -1.85 121.20 123.12 2kfw s ILE 109 Ca 0.01 0.44 0.02 0.00 -1.41 0.00 0.00 60.65 59.71 2kfw s ILE 109 Cb -0.17 -3.28 -0.04 0.00 0.13 0.00 0.00 42.46 39.10 2kfw s ILE 109 CO -0.13 0.01 -0.01 1.07 -1.91 0.00 0.00 174.94 173.97 2kfw n THR 110 N 4.41 0.25 -3.86 4.00 5.66 -1.22 -4.34 114.28 119.18 2kfw n THR 110 Ca 0.15 -0.12 -0.10 0.00 -3.05 0.00 0.00 64.05 60.92 2kfw n THR 110 Cb 0.39 -0.78 0.01 0.00 -1.55 0.00 0.00 70.33 68.40 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw n ALA 111 N -2.38 -1.37 -3.77 1.79 0.00 -1.26 -4.77 120.51 108.75 2kfw n ALA 111 Ca -0.07 -1.35 -0.29 0.00 0.00 0.00 0.00 53.44 51.73 2kfw n ALA 111 Cb 0.60 1.08 -0.16 0.00 0.00 0.00 0.00 19.45 20.97 2kfw n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kfw s VAL 112 N -2.30 0.86 0.75 0.00 0.11 -1.26 -3.88 120.40 114.67 2kfw s VAL 112 Ca 0.19 -1.10 -0.13 0.00 -2.93 0.00 0.00 61.98 58.02 2kfw s VAL 112 Cb -0.04 -1.48 0.18 0.00 -1.53 0.00 0.00 36.38 33.51 2kfw s VAL 112 CO 0.14 -0.44 0.78 -0.62 -3.33 0.00 0.00 175.10 171.63 2kfw n GLU 113 N 4.89 -1.83 -2.23 1.54 -0.58 0.29 -4.93 120.64 117.79 2kfw n GLU 113 Ca -0.06 -1.23 -0.42 0.00 -0.42 0.00 0.00 57.16 55.03 2kfw n GLU 113 Cb 0.44 -1.01 -0.03 0.00 -0.57 0.00 0.00 31.44 30.27 2kfw n GLU 113 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2kfw s ASP 114 N -3.74 6.88 -0.27 1.62 2.15 -1.26 -3.02 116.67 119.03 2kfw s ASP 114 Ca 0.48 2.22 -0.01 0.00 0.43 0.00 0.00 52.55 55.67 2kfw s ASP 114 Cb -0.03 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 2kfw s ASP 114 CO 0.35 -0.63 0.04 -0.67 -0.17 0.00 0.00 175.17 174.09 2kfw n ASP 115 N 4.27 -1.54 -3.61 -0.34 -0.08 -1.26 -4.79 116.55 109.20 2kfw n ASP 115 Ca 0.11 0.36 -0.05 0.00 -1.51 0.00 0.00 54.79 53.70 2kfw n ASP 115 Cb 0.43 -1.42 -0.04 0.00 2.34 0.00 0.00 41.12 42.43 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2kfw s HIS 116 N -2.17 -0.16 0.24 -0.67 2.46 -1.17 -4.68 115.29 109.15 2kfw s HIS 116 Ca 0.04 0.23 0.01 0.00 0.47 0.00 0.00 55.06 55.81 2kfw s HIS 116 Cb -0.03 0.49 -0.05 0.00 -0.13 0.00 0.00 32.58 32.87 2kfw s HIS 116 CO 0.06 -0.17 0.11 0.14 -2.47 0.00 0.00 174.74 172.41 2kfw s VAL 117 N -1.41 0.36 0.01 0.89 -7.23 -1.14 0.10 120.40 111.98 2kfw s VAL 117 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2kfw s VAL 117 Cb -0.01 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 2kfw s VAL 117 CO -0.04 0.00 -0.02 0.54 -0.31 0.00 0.00 175.10 175.26 2kfw s VAL 118 N -3.87 0.13 -0.04 1.32 0.11 -1.25 -0.93 120.40 115.87 2kfw s VAL 118 Ca 0.38 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2kfw s VAL 118 Cb 0.07 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.76 2kfw s VAL 118 CO 0.13 -0.13 -0.09 0.68 -3.33 0.00 0.00 175.10 172.36 2kfw s VAL 119 N -0.48 0.79 0.18 2.04 -7.23 -0.44 -3.42 120.40 111.84 2kfw s VAL 119 Ca -0.04 -0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2kfw s VAL 119 Cb -0.04 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.18 2kfw s VAL 119 CO -0.00 0.26 0.37 -0.62 -0.31 0.00 0.00 175.10 174.79 2kfw s ASP 120 N 0.41 -0.05 0.00 4.85 2.15 -0.77 -1.35 116.67 121.90 2kfw s ASP 120 Ca -0.07 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.12 2kfw s ASP 120 Cb -0.11 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 2kfw s ASP 120 CO 0.01 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 2kfw n GLY 121 N -0.27 3.17 3.02 2.66 0.00 -1.26 -4.14 105.19 108.37 2kfw n GLY 121 Ca -0.07 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.63 4.76 0.53 1.61 4.22 -1.26 -5.07 114.94 119.10 2kfw s ASN 122 Ca 0.00 -2.47 -0.19 0.00 -2.14 0.00 0.00 52.86 48.07 2kfw s ASN 122 Cb 0.00 -1.69 -0.07 0.00 1.28 0.00 0.00 41.25 40.78 2kfw s ASN 122 CO 0.00 -0.36 1.05 -1.00 -2.04 0.00 0.00 177.10 174.75 2kfw s HIS 123 N 0.48 2.98 0.09 1.54 3.76 -1.26 -4.95 115.29 117.92 2kfw s HIS 123 Ca 0.13 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.47 2kfw s HIS 123 Cb -0.22 -3.05 -0.20 0.00 1.11 0.00 0.00 32.58 30.22 2kfw s HIS 123 CO -0.05 -0.97 1.23 0.52 -0.85 0.00 0.00 174.74 174.62 2kfw h MET 124 N 1.13 0.68 -1.67 1.40 2.86 -1.98 -3.17 114.93 114.17 2kfw h MET 124 Ca -0.49 -0.70 0.49 0.00 -2.06 0.00 0.00 59.70 56.94 2kfw h MET 124 Cb 1.22 0.19 -0.07 0.00 0.06 0.00 0.00 31.60 33.00 2kfw h MET 124 CO 0.58 1.28 1.22 1.37 1.06 0.00 0.00 176.91 182.43 2kfw h LEU 125 N 0.40 0.00-10.13 1.22 8.10 -1.93 -3.39 115.31 109.58 2kfw h LEU 125 Ca -0.11 0.00 -0.50 0.00 0.11 0.00 0.00 57.88 57.38 2kfw h LEU 125 Cb 1.63 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.84 2kfw h LEU 125 CO 0.19 0.00 -0.37 0.00 -4.11 0.00 0.00 178.44 174.15 2kfw s ALA 126 N -4.88 3.87 0.00 0.17 0.00 -1.20 -4.49 121.76 115.24 2kfw s ALA 126 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kfw s ALA 126 Cb 0.25 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2kfw s ALA 126 CO 0.85 0.31 0.00 0.41 0.00 0.00 0.00 175.76 177.34 2kfw n GLY 127 N -1.08 0.81 3.21 0.00 0.00 -1.26 -4.91 105.19 101.96 2kfw n GLY 127 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 2kfw n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kfw n GLN 128 N -0.90 3.83 -1.31 1.61 1.13 -1.26 -4.87 117.38 115.60 2kfw n GLN 128 Ca 0.00 -4.34 -0.38 0.00 -1.94 0.00 0.00 57.00 50.33 2kfw n GLN 128 Cb 0.00 -2.63 0.03 0.00 0.11 0.00 0.00 30.24 27.75 2kfw n GLN 128 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2kfw n ASN 129 N 2.71 -2.68 -4.65 1.08 0.23 -1.26 -4.57 115.26 106.11 2kfw n ASN 129 Ca 0.27 0.65 -0.35 0.00 -0.53 0.00 0.00 54.58 54.63 2kfw n ASN 129 Cb 0.37 -0.99 -0.10 0.00 -2.08 0.00 0.00 39.78 36.99 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 3.27 3.67 -0.13 -4.53 1.02 -1.25 -4.74 118.68 115.99 2kfw s LEU 130 Ca 0.61 0.11 -0.18 0.00 0.02 0.00 0.00 54.13 54.69 2kfw s LEU 130 Cb -0.45 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.84 2kfw s LEU 130 CO 0.62 0.28 0.47 -0.75 0.02 0.00 0.00 176.35 176.99 2kfw s LYS 131 N -0.30 4.33 -0.09 1.70 2.36 -0.98 -1.91 119.74 124.85 2kfw s LYS 131 Ca 0.07 0.42 -0.11 0.00 -2.55 0.00 0.00 55.97 53.80 2kfw s LYS 131 Cb -0.12 -3.44 0.03 0.00 -1.05 0.00 0.00 37.83 33.24 2kfw s LYS 131 CO 0.02 0.14 0.29 -0.59 1.55 0.00 0.00 175.35 176.77 2kfw s PHE 132 N 0.68 -0.28 0.04 4.03 -0.12 -1.25 -0.82 117.98 120.26 2kfw s PHE 132 Ca 0.25 0.64 0.01 0.00 -0.05 0.00 0.00 56.93 57.78 2kfw s PHE 132 Cb -0.15 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 2kfw s PHE 132 CO 0.10 -0.22 0.09 -0.80 -0.05 0.00 0.00 175.22 174.35 2kfw s ASN 133 N -0.26 5.69 0.20 1.98 -0.87 -1.03 -3.02 114.94 117.64 2kfw s ASN 133 Ca -0.04 0.09 0.05 0.00 -1.57 0.00 0.00 52.86 51.39 2kfw s ASN 133 Cb -0.03 -1.60 -0.05 0.00 -0.02 0.00 0.00 41.25 39.55 2kfw s ASN 133 CO 0.01 0.22 -0.06 0.68 -2.57 0.00 0.00 177.10 175.37 2kfw s VAL 134 N -1.32 1.26 -0.04 1.60 -7.23 0.02 -1.41 120.40 113.28 2kfw s VAL 134 Ca 0.27 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2kfw s VAL 134 Cb -0.12 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2kfw s VAL 134 CO 0.19 -0.51 0.05 -1.83 -0.31 0.00 0.00 175.10 172.70 2kfw s GLU 135 N -3.77 -0.06 0.32 4.82 -1.05 0.17 -1.68 118.70 117.45 2kfw s GLU 135 Ca 0.24 0.34 -0.26 0.00 -0.15 0.00 0.00 54.97 55.13 2kfw s GLU 135 Cb 0.03 -0.47 -0.10 0.00 -0.44 0.00 0.00 34.13 33.16 2kfw s GLU 135 CO 0.06 -0.30 0.98 0.14 0.95 0.00 0.00 175.26 177.09 2kfw s VAL 136 N 1.96 4.03 -0.10 1.83 -7.23 -0.38 -1.65 120.40 118.87 2kfw s VAL 136 Ca 0.02 1.73 0.04 0.00 -1.81 0.00 0.00 61.98 61.96 2kfw s VAL 136 Cb -0.12 -3.98 -0.09 0.00 0.56 0.00 0.00 36.38 32.75 2kfw s VAL 136 CO -0.03 0.18 -0.04 0.52 -0.31 0.00 0.00 175.10 175.42 2kfw n VAL 137 N 0.62 0.60 -3.83 1.32 0.31 0.81 -1.82 118.33 116.34 2kfw n VAL 137 Ca 0.02 -0.29 -0.06 0.00 -0.01 0.00 0.00 64.34 63.99 2kfw n VAL 137 Cb 0.49 -0.83 -0.01 0.00 -0.91 0.00 0.00 33.84 32.58 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw s ALA 138 N -2.21 -1.23 -0.28 3.52 0.00 -1.25 -4.55 121.76 115.77 2kfw s ALA 138 Ca -0.10 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2kfw s ALA 138 Cb 0.03 0.77 0.16 0.00 0.00 0.00 0.00 23.12 24.08 2kfw s ALA 138 CO 0.29 -1.03 0.42 0.42 0.00 0.00 0.00 175.76 175.86 2kfw s ILE 139 N -3.39 -0.68 0.02 0.00 1.01 -1.25 -3.57 121.20 113.34 2kfw s ILE 139 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2kfw s ILE 139 Cb -0.05 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 2kfw s ILE 139 CO 0.07 -0.19 -0.04 -0.13 0.00 0.00 0.00 174.94 174.65 2kfw s ARG 140 N 2.59 0.31 0.37 2.79 3.00 -0.66 -4.88 118.95 122.46 2kfw s ARG 140 Ca 0.12 -0.51 -0.27 0.00 0.00 0.00 0.00 55.73 55.07 2kfw s ARG 140 Cb -0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 34.95 34.68 2kfw s ARG 140 CO -0.25 -0.01 1.26 -1.91 0.00 0.00 0.00 175.30 174.39 2kfw n GLU 141 N 1.91 2.00 -2.96 3.54 2.13 -1.25 0.27 120.64 126.29 2kfw n GLU 141 Ca -0.21 0.70 -0.28 0.00 0.66 0.00 0.00 57.16 58.04 2kfw n GLU 141 Cb 0.56 -2.32 -0.02 0.00 0.27 0.00 0.00 31.44 29.94 2kfw n GLU 141 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kfw s ALA 142 N -1.14 3.48 1.10 4.31 0.00 -1.26 -4.59 121.76 123.66 2kfw s ALA 142 Ca 0.58 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 2kfw s ALA 142 Cb -0.55 -2.49 0.19 0.00 0.00 0.00 0.00 23.12 20.27 2kfw s ALA 142 CO 0.61 -0.07 0.83 0.25 0.00 0.00 0.00 175.76 177.37 2kfw n THR 143 N -1.62 0.00 -0.32 0.00 -2.24 -1.26 -4.70 114.28 104.14 2kfw n THR 143 Ca -0.00 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.28 2kfw n THR 143 Cb 0.55 -1.37 0.10 0.00 -2.10 0.00 0.00 70.33 67.51 2kfw n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kfw h GLU 144 N 0.00 1.12 -0.29 -0.78 5.08 -1.99 -2.18 114.58 115.54 2kfw h GLU 144 Ca -0.29 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.88 2kfw h GLU 144 Cb 0.85 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2kfw h GLU 144 CO 0.20 0.74 -0.31 1.49 -1.00 0.00 0.00 179.01 180.12 2kfw h GLU 145 N 1.15 0.73 -0.79 2.33 4.57 -1.97 0.11 114.58 120.71 2kfw h GLU 145 Ca 0.34 -0.39 0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2kfw h GLU 145 Cb -0.07 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.47 2kfw h GLU 145 CO -0.09 1.01 0.44 0.93 -1.18 0.00 0.00 179.01 180.13 2kfw h GLU 146 N 0.48 0.74 0.00 1.92 5.08 -1.68 -0.38 114.58 120.74 2kfw h GLU 146 Ca 0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2kfw h GLU 146 Cb 0.89 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2kfw h GLU 146 CO 0.08 0.49 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.16 2kfw h LEU 147 N 0.77 0.00 0.29 1.33 4.07 -1.33 0.70 115.31 121.13 2kfw h LEU 147 Ca 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.32 2kfw h LEU 147 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2kfw h LEU 147 CO -0.23 0.16 -0.14 0.00 -1.08 0.00 0.00 178.44 177.15 2kfw h ALA 148 N 1.84 -0.39 0.00 1.53 0.00 0.92 -2.31 119.26 120.86 2kfw h ALA 148 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kfw h ALA 148 Cb 1.13 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kfw h ALA 148 CO 0.02 -0.62 0.00 0.72 0.00 0.00 0.00 179.25 179.36 2kfw n HIS 149 N -5.18 0.00 0.00 0.00 8.25 -0.81 -4.85 115.22 112.64 2kfw n HIS 149 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2kfw n HIS 149 Cb 0.23 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 0.92 3.19 0.51 -1.41 0.00 -0.87 -4.96 105.19 102.57 2kfw n GLY 150 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.27 -1.18 -3.03 1.61 1.44 0.23 -3.63 115.22 109.39 2kfw n HIS 151 Ca 0.00 -0.25 -0.40 0.00 -2.01 0.00 0.00 57.72 55.06 2kfw n HIS 151 Cb 0.00 0.12 -0.05 0.00 0.12 0.00 0.00 29.99 30.18 2kfw n HIS 151 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2kfw s VAL 152 N -2.88 4.66 0.58 0.61 1.01 -1.22 -4.42 120.40 118.75 2kfw s VAL 152 Ca 0.02 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2kfw s VAL 152 Cb -0.01 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2kfw s VAL 152 CO 0.02 0.42 0.00 1.57 0.00 0.00 0.00 175.10 177.11 2kfw n HIS 153 N 2.42 -3.89 0.00 5.22 -0.00 -1.26 -4.90 115.22 112.81 2kfw n HIS 153 Ca -0.04 2.13 0.00 0.00 -0.00 0.00 0.00 57.72 59.81 2kfw n HIS 153 Cb 0.50 -3.39 0.00 0.00 -0.00 0.00 0.00 29.99 27.10 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 154 N -3.41 1.76 0.17 1.57 0.00 -1.26 -5.02 105.19 99.00 2kfw n GLY 154 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw h ALA 155 N 0.00 0.89 0.00 4.61 0.00 -1.96 -2.92 119.26 119.87 2kfw h ALA 155 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kfw h ALA 155 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kfw h ALA 155 CO 0.00 0.58 0.00 0.45 0.00 0.00 0.00 179.25 180.28 2kfw h HIS 156 N 0.00 0.00 0.00 0.00 3.86 -2.04 -2.39 115.15 114.59 2kfw h HIS 156 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kfw h HIS 156 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2kfw h HIS 156 CO 0.00 0.00 0.15 0.22 0.86 0.00 0.00 177.93 179.16 2kfw h ASP 157 N 0.00 0.00 -3.20 2.45 3.58 -1.94 -3.39 116.42 113.92 2kfw h ASP 157 Ca 0.00 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.82 2kfw h ASP 157 Cb 0.17 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.07 2kfw h ASP 157 CO 0.00 0.00 -0.55 -1.00 -2.88 0.00 0.00 179.24 174.81 2kfw s HIS 158 N -3.97 3.30 0.00 0.28 3.76 -0.90 -4.96 115.29 112.80 2kfw s HIS 158 Ca -0.04 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 2kfw s HIS 158 Cb 0.10 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.76 2kfw s HIS 158 CO 0.30 0.29 0.96 1.58 -0.85 0.00 0.00 174.74 177.02 2kfw n HIS 159 N 3.13 0.00 -3.27 1.40 -0.00 -1.26 -5.05 115.22 110.17 2kfw n HIS 159 Ca -0.17 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.37 2kfw n HIS 159 Cb 0.53 -0.04 0.01 0.00 -0.00 0.00 0.00 29.99 30.49 2kfw n HIS 159 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kfw n HIS 160 N 0.00 -2.87 -4.54 1.57 8.25 -1.26 -5.01 115.22 111.35 2kfw n HIS 160 Ca 0.00 1.16 -0.25 0.00 -0.26 0.00 0.00 57.72 58.36 2kfw n HIS 160 Cb 0.69 -3.23 -0.10 0.00 1.12 0.00 0.00 29.99 28.46 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 -2.49 3.05 0.00 0.41 1.11 -1.26 -5.11 116.67 112.38 2kfw s ASP 161 Ca 0.17 -1.45 0.00 0.00 0.18 0.00 0.00 52.55 51.46 2kfw s ASP 161 Cb -0.03 -0.02 0.00 0.00 1.07 0.00 0.00 42.92 43.94 2kfw s ASP 161 CO 0.82 -0.64 0.00 1.41 1.18 0.00 0.00 175.17 177.94 2kfw n HIS 162 N -0.86 0.00 -1.69 4.23 8.25 -1.26 -4.99 115.22 118.90 2kfw n HIS 162 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2kfw n HIS 162 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 0.00 -8.94 -0.31 0.41 2.03 -1.26 -4.71 116.55 103.78 2kfw n ASP 163 Ca 0.00 1.54 0.13 0.00 0.52 0.00 0.00 54.79 56.98 2kfw n ASP 163 Cb 0.00 -5.26 0.36 0.00 -0.72 0.00 0.00 41.12 35.49 2kfw n ASP 163 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kfw n HIS 164 N -1.52 0.00 -0.63 -0.67 8.25 -1.26 -5.03 115.22 114.35 2kfw n HIS 164 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfw n HIS 164 Cb 0.18 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2kfw n HIS 164 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kfw n ASP 165 N -0.46 -0.51 0.00 0.41 2.03 -1.26 -4.93 116.55 111.82 2kfw n ASP 165 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2kfw n ASP 165 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfw n GLY 166 N 0.00 1.10 2.67 0.27 0.00 -1.26 -5.06 105.19 102.91 2kfw n GLY 166 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 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 2.07 0.80 3.79 0.00 0.00 -1.26 -4.88 105.19 105.72 2kfw n GLY 169 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2kfw n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 170 N -1.40 2.70 -0.07 -0.02 0.00 -1.26 -5.06 107.32 102.21 2kfw s GLY 170 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.20 2kfw s GLY 170 CO 0.00 0.87 -0.10 -1.58 0.00 0.00 0.00 173.10 172.28 2kfw s HIS 171 N -1.73 1.36 1.07 1.90 5.04 -1.26 -5.13 115.29 116.53 2kfw s HIS 171 Ca 0.52 -0.52 -0.18 0.00 -1.54 0.00 0.00 55.06 53.34 2kfw s HIS 171 Cb -0.16 -1.04 0.07 0.00 0.04 0.00 0.00 32.58 31.48 2kfw s HIS 171 CO 0.21 -0.31 0.01 0.41 -2.34 0.00 0.00 174.74 172.72 2kfw n GLY 172 N 4.05 -2.46 3.63 1.59 0.00 -1.26 -5.03 105.19 105.72 2kfw n GLY 172 Ca -0.21 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.26 -0.56 -0.42 1.61 -3.43 -1.26 -5.10 115.29 103.87 2kfw s HIS 173 Ca 0.55 1.34 0.02 0.00 -0.80 0.00 0.00 55.06 56.17 2kfw s HIS 173 Cb -0.13 0.34 0.26 0.00 -1.43 0.00 0.00 32.58 31.62 2kfw s HIS 173 CO 0.67 -0.28 1.04 -0.25 -2.00 0.00 0.00 174.74 173.93 2kfw n ASP 174 N 2.27 -2.20 -3.76 7.38 8.00 -1.26 -5.05 116.55 121.93 2kfw n ASP 174 Ca -0.13 -2.65 -0.42 0.00 0.71 0.00 0.00 54.79 52.30 2kfw n ASP 174 Cb 0.56 1.35 0.02 0.00 -0.02 0.00 0.00 41.12 43.03 2kfw n ASP 174 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kfw n HIS 175 N 1.57 2.57 -0.28 1.24 -0.00 -1.26 -4.78 115.22 114.28 2kfw n HIS 175 Ca 0.06 -2.57 0.07 0.00 0.46 0.00 0.00 57.72 55.74 2kfw n HIS 175 Cb 0.66 -1.24 0.30 0.00 -0.12 0.00 0.00 29.99 29.59 2kfw n HIS 175 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2kfw h GLY 176 N 4.71 1.28 -5.50 1.57 0.00 -2.08 -3.46 103.07 99.59 2kfw h GLY 176 Ca 0.42 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 2kfw h GLY 176 CO 1.25 0.21 -0.12 1.42 0.00 0.00 0.00 176.54 179.30 2kfw n HIS 177 N -4.53 -2.89 -2.65 5.60 8.25 -1.26 -4.93 115.22 112.81 2kfw n HIS 177 Ca 0.15 1.10 -0.41 0.00 -0.26 0.00 0.00 57.72 58.31 2kfw n HIS 177 Cb 0.30 -4.00 -0.05 0.00 1.12 0.00 0.00 29.99 27.37 2kfw n HIS 177 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2kfw s GLU 178 N -3.22 4.71 0.00 -0.41 2.02 -1.26 -5.05 118.70 115.50 2kfw s GLU 178 Ca 0.01 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.58 2kfw s GLU 178 Cb -0.00 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2kfw s GLU 178 CO 0.76 0.26 0.00 -2.39 0.02 0.00 0.00 175.26 173.91 2kfw n HIS 179 N 2.13 -0.47 -1.42 1.61 1.44 -1.26 -4.90 115.22 112.34 2kfw n HIS 179 Ca 0.01 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.90 2kfw n HIS 179 Cb 0.47 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kfw n GLY 180 N 2.32 -2.47 0.00 -1.39 0.00 -1.26 -5.00 105.19 97.39 2kfw n GLY 180 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.22 0.51 2.08 -0.02 0.00 -1.26 -4.97 105.19 97.31 2kfw n GLY 181 Ca -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 2kfw n GLY 181 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfw n GLU 182 N 0.00 -2.02 -0.44 1.61 1.02 -1.26 -4.36 120.64 115.19 2kfw n GLU 182 Ca 0.00 0.34 0.02 0.00 -0.02 0.00 0.00 57.16 57.50 2kfw n GLU 182 Cb 0.00 -4.72 -0.01 0.00 -0.02 0.00 0.00 31.44 26.69 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfw n GLY 183 N -0.45 -3.03 2.01 0.62 0.00 -1.26 -5.04 105.19 98.04 2kfw n GLY 183 Ca -0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.41 -1.54 1.71 0.00 0.00 -1.26 -5.08 105.19 98.61 2kfw n GLY 186 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.01 -0.03 0.00 -0.02 0.00 -1.26 -5.14 105.19 98.73 2kfw n GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.74 0.47 0.00 1.61 4.01 -1.26 -5.17 118.16 115.09 2kfw n LYS 188 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2kfw n LYS 188 Cb 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.65 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kfw n GLY 189 N 1.00 4.61 4.75 0.72 0.00 -1.26 -5.14 105.19 109.87 2kfw n GLY 189 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 46.02 45.09 2kfw n GLY 189 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kfw n ASN 190 N 0.00 -3.12 -4.26 1.61 5.03 -1.26 -4.87 115.26 108.38 2kfw n ASN 190 Ca 0.00 0.25 -0.16 0.00 0.87 0.00 0.00 54.58 55.54 2kfw n ASN 190 Cb 0.00 -0.80 -0.10 0.00 -1.02 0.00 0.00 39.78 37.85 2kfw n ASN 190 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2kfw s GLY 191 N -3.08 1.13 0.00 7.41 0.00 -1.26 -5.03 107.32 106.49 2kfw s GLY 191 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2kfw s GLY 191 CO 0.00 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.19 2kfw n GLY 192 N 0.08 -1.21 3.70 0.20 0.00 -1.26 -4.96 105.19 101.73 2kfw n GLY 192 Ca -0.12 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 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 2.14 2.88 0.34 0.00 0.00 -1.26 -5.01 105.19 104.29 2kfw n GLY 194 Ca 0.10 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32