#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw n LYS 2 N 0.00 0.24 -3.03 2.12 2.85 -1.26 -4.66 118.16 114.43 2kfw n LYS 2 Ca 0.00 -1.87 -0.40 0.00 -1.05 0.00 0.00 58.31 55.00 2kfw n LYS 2 Cb 0.00 1.55 -0.05 0.00 -0.65 0.00 0.00 35.03 35.88 2kfw n LYS 2 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2kfw s VAL 3 N -2.76 4.66 0.24 0.58 1.01 -1.26 -4.94 120.40 117.93 2kfw s VAL 3 Ca 0.22 1.58 0.05 0.00 0.00 0.00 0.00 61.98 63.83 2kfw s VAL 3 Cb 0.01 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2kfw s VAL 3 CO 0.16 0.42 0.19 0.00 0.00 0.00 0.00 175.10 175.86 2kfw n ALA 4 N 2.43 0.49 -1.77 5.51 0.00 -1.26 -3.22 120.51 122.69 2kfw n ALA 4 Ca -0.04 -1.36 -0.36 0.00 0.00 0.00 0.00 53.44 51.67 2kfw n ALA 4 Cb 0.50 1.08 -0.00 0.00 0.00 0.00 0.00 19.45 21.03 2kfw n ALA 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kfw s LYS 5 N -2.96 3.55 -1.44 0.00 2.20 -1.26 -3.06 119.74 116.77 2kfw s LYS 5 Ca 0.26 1.71 -0.02 0.00 -0.36 0.00 0.00 55.97 57.57 2kfw s LYS 5 Cb 0.01 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 2kfw s LYS 5 CO 0.19 -0.71 0.24 -0.25 -0.36 0.00 0.00 175.35 174.45 2kfw n ASP 6 N -0.89 -5.33 -3.94 1.43 8.00 -1.11 -4.94 116.55 109.78 2kfw n ASP 6 Ca 0.09 -0.12 -0.27 0.00 0.71 0.00 0.00 54.79 55.20 2kfw n ASP 6 Cb 0.49 -4.30 -0.17 0.00 -0.02 0.00 0.00 41.12 37.13 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kfw s LEU 7 N -5.42 1.31 0.01 0.64 2.01 -1.17 -3.73 118.68 112.32 2kfw s LEU 7 Ca 0.12 -0.33 -0.30 0.00 0.01 0.00 0.00 54.13 53.62 2kfw s LEU 7 Cb -0.05 -0.90 -0.06 0.00 0.01 0.00 0.00 46.19 45.19 2kfw s LEU 7 CO 0.15 -0.09 1.51 0.68 1.01 0.00 0.00 176.35 179.60 2kfw s VAL 8 N 1.58 3.51 -0.17 -1.59 -7.23 0.74 -2.46 120.40 114.78 2kfw s VAL 8 Ca 0.03 0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 61.05 2kfw s VAL 8 Cb -0.13 -3.56 0.05 0.00 0.56 0.00 0.00 36.38 33.30 2kfw s VAL 8 CO -0.08 -0.02 0.02 0.54 -0.31 0.00 0.00 175.10 175.26 2kfw s VAL 9 N 2.75 0.51 -0.53 1.32 0.11 -1.07 -0.90 120.40 122.59 2kfw s VAL 9 Ca 0.68 -0.40 -0.22 0.00 -2.93 0.00 0.00 61.98 59.10 2kfw s VAL 9 Cb -0.34 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 33.63 2kfw s VAL 9 CO 0.28 -0.09 0.83 -0.44 -3.33 0.00 0.00 175.10 172.35 2kfw s SER 10 N 1.88 6.31 -0.04 3.54 0.01 -1.22 -3.04 113.70 121.13 2kfw s SER 10 Ca 0.01 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.78 2kfw s SER 10 Cb -0.16 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2kfw s SER 10 CO -0.07 -1.09 -0.09 -1.48 0.41 0.00 0.00 173.24 170.92 2kfw s LEU 11 N 3.48 1.63 0.54 2.44 2.34 -1.17 -1.00 118.68 126.92 2kfw s LEU 11 Ca 0.26 -0.20 -0.08 0.00 0.06 0.00 0.00 54.13 54.16 2kfw s LEU 11 Cb -0.15 -0.60 -0.04 0.00 -0.56 0.00 0.00 46.19 44.84 2kfw s LEU 11 CO 0.17 0.03 0.89 0.00 -1.06 0.00 0.00 176.35 176.38 2kfw s ALA 12 N 0.51 3.26 -0.22 1.48 0.00 -0.56 -4.17 121.76 122.06 2kfw s ALA 12 Ca -0.09 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 2kfw s ALA 12 Cb -0.12 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.24 2kfw s ALA 12 CO 0.01 -0.47 0.59 1.52 0.00 0.00 0.00 175.76 177.41 2kfw s TYR 13 N -2.90 -0.69 0.22 0.00 -0.85 -1.25 0.30 117.35 112.18 2kfw s TYR 13 Ca 0.51 1.62 0.07 0.00 -0.52 0.00 0.00 57.07 58.75 2kfw s TYR 13 Cb -0.11 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 2kfw s TYR 13 CO 0.48 -0.34 0.15 -1.14 -1.52 0.00 0.00 175.55 173.18 2kfw s GLN 14 N 0.52 2.83 -0.31 -3.49 0.74 -0.99 -1.98 119.66 116.98 2kfw s GLN 14 Ca -0.02 -1.04 0.01 0.00 0.05 0.00 0.00 55.36 54.36 2kfw s GLN 14 Cb -0.05 -2.54 0.10 0.00 1.10 0.00 0.00 33.01 31.62 2kfw s GLN 14 CO -0.02 0.42 0.07 0.08 -0.55 0.00 0.00 175.29 175.29 2kfw s VAL 15 N -2.02 1.35 -0.08 1.34 1.01 0.34 0.26 120.40 122.61 2kfw s VAL 15 Ca 0.32 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.66 2kfw s VAL 15 Cb -0.08 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2kfw s VAL 15 CO 0.24 -0.60 -0.15 0.00 0.00 0.00 0.00 175.10 174.58 2kfw s ARG 16 N 1.39 2.84 0.18 2.72 1.70 -0.92 0.23 118.95 127.08 2kfw s ARG 16 Ca 0.09 -0.71 -0.04 0.00 -0.47 0.00 0.00 55.73 54.60 2kfw s ARG 16 Cb -0.18 -2.45 -0.05 0.00 -0.57 0.00 0.00 34.95 31.70 2kfw s ARG 16 CO -0.18 0.45 0.41 0.95 -1.08 0.00 0.00 175.30 175.85 2kfw s THR 17 N -0.28 5.15 0.45 4.99 -4.23 0.20 -2.02 115.64 119.90 2kfw s THR 17 Ca 0.02 -0.07 0.24 0.00 -1.18 0.00 0.00 61.69 60.70 2kfw s THR 17 Cb -0.13 -3.67 0.44 0.00 1.34 0.00 0.00 72.50 70.48 2kfw s THR 17 CO 0.03 -0.07 1.79 -0.08 -0.54 0.00 0.00 174.62 175.74 2kfw h GLU 18 N 2.42 0.25 0.00 3.99 4.57 -1.89 0.86 114.58 124.77 2kfw h GLU 18 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2kfw h GLU 18 Cb 1.18 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2kfw h GLU 18 CO 0.70 0.16 0.03 -3.47 -1.18 0.00 0.00 179.01 175.25 2kfw n ASP 19 N -4.48 0.38 -0.05 1.04 2.03 -1.26 -4.76 116.55 109.45 2kfw n ASP 19 Ca 0.25 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.22 2kfw n ASP 19 Cb 0.98 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.35 1.30 3.37 0.27 0.00 0.30 -5.09 105.19 103.98 2kfw n GLY 20 Ca -0.01 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.11 2.14 -0.26 1.61 1.01 -1.17 -4.91 120.40 116.71 2kfw s VAL 21 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.12 2kfw s VAL 21 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2kfw s VAL 21 CO 0.00 0.02 0.17 -0.76 0.00 0.00 0.00 175.10 174.53 2kfw s LEU 22 N -2.13 4.03 0.07 3.92 1.02 -1.26 0.59 118.68 124.91 2kfw s LEU 22 Ca 0.13 0.02 0.13 0.00 0.02 0.00 0.00 54.13 54.44 2kfw s LEU 22 Cb -0.10 -2.11 -0.15 0.00 0.02 0.00 0.00 46.19 43.86 2kfw s LEU 22 CO 0.06 -0.01 0.95 0.58 0.02 0.00 0.00 176.35 177.96 2kfw h VAL 23 N 5.25 0.92 -1.10 -1.59 2.07 0.26 -3.48 116.25 118.58 2kfw h VAL 23 Ca -0.36 -2.56 0.23 0.00 0.82 0.00 0.00 66.70 64.83 2kfw h VAL 23 Cb 1.18 2.39 -0.27 0.00 -1.52 0.00 0.00 31.29 33.07 2kfw h VAL 23 CO 0.59 0.52 0.92 -0.62 0.02 0.00 0.00 177.57 179.00 2kfw s ASP 24 N -6.18 -0.06 -0.14 0.57 -1.08 -1.21 -4.96 116.67 103.61 2kfw s ASP 24 Ca -0.02 0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 52.01 2kfw s ASP 24 Cb 0.09 0.05 0.06 0.00 -1.46 0.00 0.00 42.92 41.66 2kfw s ASP 24 CO 0.81 -0.06 0.33 -1.83 0.52 0.00 0.00 175.17 174.93 2kfw s GLU 25 N -1.08 0.27 0.49 4.34 4.04 -1.26 0.13 118.70 125.63 2kfw s GLU 25 Ca 0.08 0.73 -0.19 0.00 0.04 0.00 0.00 54.97 55.63 2kfw s GLU 25 Cb -0.01 -0.01 -0.08 0.00 0.02 0.00 0.00 34.13 34.05 2kfw s GLU 25 CO -0.07 -0.20 1.00 -1.12 -1.84 0.00 0.00 175.26 173.03 2kfw s SER 26 N 1.72 6.54 0.11 0.83 0.01 -0.84 -4.99 113.70 117.08 2kfw s SER 26 Ca -0.06 1.71 -0.30 0.00 1.31 0.00 0.00 55.95 58.61 2kfw s SER 26 Cb -0.10 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 2kfw s SER 26 CO -0.10 -0.64 1.21 -2.16 0.41 0.00 0.00 173.24 171.95 2kfw s PRO 27 N -3.63 4.45 0.26 12.44 0.04 -1.26 -4.68 135.00 142.62 2kfw s PRO 27 Ca 0.62 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.56 2kfw s PRO 27 Cb -0.12 -3.30 0.32 0.00 0.04 0.00 0.00 34.50 31.45 2kfw s PRO 27 CO 0.24 -0.20 1.60 -0.24 0.04 0.00 0.00 177.00 178.44 2kfw h VAL 28 N 4.19 1.41 0.00 -0.36 3.04 -2.01 -2.66 116.25 119.86 2kfw h VAL 28 Ca -0.43 -2.01 0.00 0.00 -1.01 0.00 0.00 66.70 63.26 2kfw h VAL 28 Cb 1.21 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 32.54 2kfw h VAL 28 CO 0.79 0.58 0.00 -1.54 -1.01 0.00 0.00 177.57 176.39 2kfw n SER 29 N -3.85 0.00 -3.21 3.17 3.41 -1.26 -4.30 113.62 107.59 2kfw n SER 29 Ca -0.02 -0.75 -0.02 0.00 -0.26 0.00 0.00 58.87 57.82 2kfw n SER 29 Cb 0.60 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 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 -2.00 -2.04 0.33 7.33 0.00 -1.00 -5.14 121.76 119.24 2kfw s ALA 30 Ca 0.34 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 2kfw s ALA 30 Cb 0.16 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 2kfw s ALA 30 CO 0.26 -2.21 1.11 -1.25 0.00 0.00 0.00 175.76 173.68 2kfw s PRO 31 N 1.71 4.40 -0.49 0.00 0.04 -1.25 -4.35 135.00 135.06 2kfw s PRO 31 Ca 0.17 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.73 2kfw s PRO 31 Cb -0.05 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.58 2kfw s PRO 31 CO -0.06 0.01 0.97 -1.17 0.04 0.00 0.00 177.00 176.78 2kfw s LEU 32 N -1.94 3.95 -0.39 -3.56 0.20 -1.26 -4.70 118.68 110.98 2kfw s LEU 32 Ca 0.50 0.04 -0.21 0.00 0.69 0.00 0.00 54.13 55.15 2kfw s LEU 32 Cb -0.30 -3.14 0.01 0.00 -0.43 0.00 0.00 46.19 42.33 2kfw s LEU 32 CO 0.38 -1.14 0.69 -0.62 -0.29 0.00 0.00 176.35 175.37 2kfw s ASP 33 N 2.46 6.42 0.34 3.68 -1.08 -1.26 -3.07 116.67 124.17 2kfw s ASP 33 Ca 0.37 0.02 0.07 0.00 -0.52 0.00 0.00 52.55 52.49 2kfw s ASP 33 Cb -0.10 -2.35 -0.07 0.00 -1.46 0.00 0.00 42.92 38.94 2kfw s ASP 33 CO 0.25 -0.72 -0.02 -0.72 0.52 0.00 0.00 175.17 174.48 2kfw s TYR 34 N 2.92 2.22 -0.39 -5.34 1.13 -1.17 -4.73 117.35 111.98 2kfw s TYR 34 Ca 0.26 -0.71 -0.28 0.00 -1.41 0.00 0.00 57.07 54.92 2kfw s TYR 34 Cb -0.14 -1.42 -0.00 0.00 -1.10 0.00 0.00 41.96 39.30 2kfw s TYR 34 CO 0.18 0.33 1.59 -1.17 -2.51 0.00 0.00 175.55 173.96 2kfw s LEU 35 N -3.57 3.53 0.61 -3.49 2.96 -1.26 -2.61 118.68 114.85 2kfw s LEU 35 Ca 0.33 0.99 -0.19 0.00 -0.22 0.00 0.00 54.13 55.04 2kfw s LEU 35 Cb 0.07 -3.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 2kfw s LEU 35 CO 0.16 -1.59 1.32 -2.28 -1.32 0.00 0.00 176.35 172.63 2kfw s HIS 36 N 6.19 2.16 0.00 5.38 5.65 -1.03 -1.40 115.29 132.24 2kfw s HIS 36 Ca 0.69 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.44 2kfw s HIS 36 Cb -0.17 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 2kfw s HIS 36 CO 0.32 -2.91 0.00 0.41 -0.65 0.00 0.00 174.74 171.91 2kfw n GLY 37 N 0.82 1.80 2.68 1.59 0.00 -1.26 -2.74 105.19 108.08 2kfw n GLY 37 Ca 0.14 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2kfw n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 38 N 0.00 2.03 0.08 1.61 0.00 -1.19 -4.88 115.29 112.94 2kfw s HIS 38 Ca 0.00 -2.51 0.00 0.00 -3.00 0.00 0.00 55.06 49.55 2kfw s HIS 38 Cb 0.00 -1.83 0.00 0.00 -4.00 0.00 0.00 32.58 26.75 2kfw s HIS 38 CO 0.00 -0.76 0.00 0.41 -1.00 0.00 0.00 174.74 173.39 2kfw n GLY 39 N 3.25 -0.42 0.00 -1.38 0.00 -0.49 -4.63 105.19 101.51 2kfw n GLY 39 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.72 0.00 -4.52 1.61 2.88 -1.26 -4.79 113.62 104.82 2kfw n SER 40 Ca 0.00 0.00 -0.57 0.00 -1.33 0.00 0.00 58.87 56.97 2kfw n SER 40 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2kfw n SER 40 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kfw n LEU 41 N 0.00 0.35 -2.29 2.46 7.94 -1.26 -4.67 117.00 119.52 2kfw n LEU 41 Ca 0.00 1.15 -0.24 0.00 -1.11 0.00 0.00 56.01 55.81 2kfw n LEU 41 Cb 0.00 -0.98 -0.01 0.00 0.53 0.00 0.00 43.42 42.95 2kfw n LEU 41 CO 0.00 -1.73 -0.06 -0.38 -1.11 0.00 0.00 177.39 174.11 2kfw n ILE 42 N 1.69 0.88 -0.20 1.96 5.41 -1.26 -4.60 119.36 123.25 2kfw n ILE 42 Ca 0.20 -0.26 -0.07 0.00 1.00 0.00 0.00 62.75 63.62 2kfw n ILE 42 Cb 0.11 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.07 2kfw n ILE 42 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2kfw h SER 43 N 0.44 0.69 -0.96 4.38 4.64 -1.86 -2.27 113.55 118.61 2kfw h SER 43 Ca -0.16 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 2kfw h SER 43 Cb 0.76 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 2kfw h SER 43 CO 0.29 0.53 0.63 1.23 -0.87 0.00 0.00 176.83 178.64 2kfw h GLY 44 N 0.78 1.35 1.02 -0.77 0.00 -1.87 -2.17 103.07 101.41 2kfw h GLY 44 Ca 0.21 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2kfw h GLY 44 CO -0.04 0.50 0.56 -2.00 0.00 0.00 0.00 176.54 175.56 2kfw h LEU 45 N 1.30 1.10 -1.44 3.11 5.85 -1.60 -2.13 115.31 121.50 2kfw h LEU 45 Ca 0.35 -0.06 0.35 0.00 0.84 0.00 0.00 57.88 59.35 2kfw h LEU 45 Cb -0.14 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 40.51 2kfw h LEU 45 CO -0.07 0.84 0.77 -0.33 -0.34 0.00 0.00 178.44 179.30 2kfw h GLU 46 N 1.26 0.22 0.28 1.25 5.08 -0.89 0.49 114.58 122.27 2kfw h GLU 46 Ca 0.33 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2kfw h GLU 46 Cb -0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2kfw h GLU 46 CO -0.06 0.15 -0.19 1.79 -1.00 0.00 0.00 179.01 179.69 2kfw h THR 47 N 0.23 0.59 -0.16 1.13 1.35 -1.45 0.56 112.91 115.17 2kfw h THR 47 Ca 0.69 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.60 2kfw h THR 47 Cb 2.05 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 2kfw h THR 47 CO -0.32 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 175.16 2kfw h ALA 48 N 0.22 1.69 0.02 6.62 0.00 -1.03 -1.08 119.26 125.71 2kfw h ALA 48 Ca -0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2kfw h ALA 48 Cb 0.40 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2kfw h ALA 48 CO 0.01 -0.29 -1.80 1.28 0.00 0.00 0.00 179.25 178.45 2kfw n LEU 49 N -3.63 1.17 -4.73 0.00 7.99 -0.51 -4.74 117.00 112.55 2kfw n LEU 49 Ca 0.01 0.35 -0.42 0.00 -0.01 0.00 0.00 56.01 55.95 2kfw n LEU 49 Cb 0.32 -0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.55 2kfw n LEU 49 CO 0.25 0.48 1.24 -0.70 -1.51 0.00 0.00 177.39 177.15 2kfw s GLU 50 N -2.58 4.20 -1.04 3.23 2.12 0.19 -3.03 118.70 121.77 2kfw s GLU 50 Ca -0.08 2.42 -0.05 0.00 0.36 0.00 0.00 54.97 57.62 2kfw s GLU 50 Cb 0.08 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.29 2kfw s GLU 50 CO 0.81 -0.60 0.90 0.41 -0.54 0.00 0.00 175.26 176.24 2kfw n GLY 51 N 3.34 -0.97 0.00 -1.50 0.00 -1.20 -4.95 105.19 99.92 2kfw n GLY 51 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -3.32 0.00 -3.58 1.61 -0.00 -1.17 -4.96 115.22 103.79 2kfw n HIS 52 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 2kfw n HIS 52 Cb 0.62 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.44 2kfw n HIS 52 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2kfw s GLU 53 N 3.59 0.24 -0.04 1.57 2.56 -1.26 -4.83 118.70 120.53 2kfw s GLU 53 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 54.97 55.12 2kfw s GLU 53 Cb 0.00 0.10 -0.06 0.00 2.00 0.00 0.00 34.13 36.17 2kfw s GLU 53 CO 0.00 -0.06 1.79 0.14 -0.56 0.00 0.00 175.26 176.57 2kfw s VAL 54 N 1.44 3.37 0.00 3.70 -7.23 -1.26 -1.36 120.40 119.06 2kfw s VAL 54 Ca -0.07 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2kfw s VAL 54 Cb -0.03 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2kfw s VAL 54 CO -0.14 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 2kfw n GLY 55 N 4.40 0.48 3.80 2.32 0.00 0.24 -4.93 105.19 111.50 2kfw n GLY 55 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2kfw n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfw s ASP 56 N -2.94 6.67 0.03 1.61 1.11 -0.46 -4.91 116.67 117.77 2kfw s ASP 56 Ca 0.00 0.79 0.08 0.00 0.18 0.00 0.00 52.55 53.60 2kfw s ASP 56 Cb 0.00 -2.22 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 2kfw s ASP 56 CO 0.00 0.25 -0.25 -0.75 1.18 0.00 0.00 175.17 175.60 2kfw s LYS 57 N -0.54 1.77 -0.01 8.23 2.20 -1.26 -2.68 119.74 127.44 2kfw s LYS 57 Ca 0.21 -1.01 -0.28 0.00 -0.36 0.00 0.00 55.97 54.53 2kfw s LYS 57 Cb -0.15 -1.87 0.10 0.00 -1.51 0.00 0.00 37.83 34.40 2kfw s LYS 57 CO 0.10 0.49 0.83 -0.59 -0.36 0.00 0.00 175.35 175.82 2kfw s PHE 58 N -0.74 -0.43 0.12 4.03 -0.71 -0.88 -5.03 117.98 114.35 2kfw s PHE 58 Ca 0.10 0.45 -0.04 0.00 -1.04 0.00 0.00 56.93 56.40 2kfw s PHE 58 Cb -0.10 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 2kfw s PHE 58 CO 0.01 -0.57 0.35 0.34 -1.34 0.00 0.00 175.22 174.02 2kfw s ASP 59 N -2.06 6.48 0.02 1.98 -1.08 -1.26 -1.84 116.67 118.91 2kfw s ASP 59 Ca 0.01 0.55 -0.07 0.00 -0.52 0.00 0.00 52.55 52.52 2kfw s ASP 59 Cb -0.01 -2.08 -0.00 0.00 -1.46 0.00 0.00 42.92 39.37 2kfw s ASP 59 CO -0.05 0.08 0.12 0.54 0.52 0.00 0.00 175.17 176.38 2kfw s VAL 60 N -1.61 0.11 -0.31 1.11 0.11 -1.12 -4.97 120.40 113.72 2kfw s VAL 60 Ca 0.39 -0.90 -0.11 0.00 -2.93 0.00 0.00 61.98 58.44 2kfw s VAL 60 Cb -0.12 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2kfw s VAL 60 CO 0.24 -0.49 0.19 0.00 -3.33 0.00 0.00 175.10 171.71 2kfw s ALA 61 N -2.06 3.42 -0.34 1.54 0.00 -1.26 -0.68 121.76 122.38 2kfw s ALA 61 Ca -0.09 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.61 2kfw s ALA 61 Cb -0.04 -2.49 0.16 0.00 0.00 0.00 0.00 23.12 20.74 2kfw s ALA 61 CO -0.02 -0.80 0.40 0.08 0.00 0.00 0.00 175.76 175.42 2kfw s VAL 62 N 1.70 -0.49 0.00 0.00 1.01 -1.03 -4.94 120.40 116.65 2kfw s VAL 62 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2kfw s VAL 62 Cb -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2kfw s VAL 62 CO 0.09 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.37 2kfw n GLY 63 N 4.74 0.02 0.10 4.51 0.00 -1.26 -4.45 105.19 108.84 2kfw n GLY 63 Ca 0.06 0.00 0.12 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 h ALA 64 N 0.12 0.51 0.00 4.61 0.00 -1.84 0.11 119.26 122.77 2kfw h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kfw h ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kfw h ALA 64 CO 0.00 0.00 -0.07 -0.97 0.00 0.00 0.00 179.25 178.21 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -1.24 -1.93 -3.41 115.58 109.00 2kfw h ASN 65 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2kfw h ASN 65 Cb 0.91 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.96 2kfw h ASN 65 CO 0.00 0.01 0.00 0.47 -1.29 0.00 0.00 177.43 176.62 2kfw n ASP 66 N -2.33 0.00 0.00 1.15 8.00 -1.25 -5.06 116.55 117.06 2kfw n ASP 66 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2kfw n ASP 66 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfw n ALA 67 N 0.00 0.00 -2.17 2.24 0.00 0.29 -3.71 120.51 117.16 2kfw n ALA 67 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2kfw n ALA 67 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 3.19 0.00 0.00 0.18 -1.11 -4.69 117.16 114.73 2kfw n TYR 68 Ca 0.00 -2.74 0.00 0.00 1.88 0.00 0.00 57.90 57.04 2kfw n TYR 68 Cb 0.00 -0.61 0.00 0.00 -0.38 0.00 0.00 39.34 38.35 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 -0.54 -0.70 0.00 -7.48 0.00 -0.59 -4.95 105.19 90.94 2kfw n GLY 69 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 0.00 -2.50 1.61 6.02 -1.26 -4.97 117.38 116.28 2kfw n GLN 70 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 2kfw n GLN 70 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 2kfw n GLN 70 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2kfw s TYR 71 N 1.61 3.02 -0.14 1.08 5.04 -1.26 -4.42 117.35 122.28 2kfw s TYR 71 Ca 0.00 1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 55.76 2kfw s TYR 71 Cb 0.00 -3.43 0.05 0.00 0.35 0.00 0.00 41.96 38.93 2kfw s TYR 71 CO 0.00 -1.30 0.05 -0.51 -1.34 0.00 0.00 175.55 172.45 2kfw s ASP 72 N 1.71 2.19 0.00 4.32 1.11 -1.26 -4.27 116.67 120.47 2kfw s ASP 72 Ca 0.51 -0.47 0.09 0.00 0.18 0.00 0.00 52.55 52.87 2kfw s ASP 72 Cb -0.20 -0.39 0.41 0.00 1.07 0.00 0.00 42.92 43.82 2kfw s ASP 72 CO 0.12 -0.29 1.25 -0.62 1.18 0.00 0.00 175.17 176.82 2kfw n GLU 73 N 5.18 0.04 0.14 8.23 -0.58 -1.26 -2.35 120.64 130.04 2kfw n GLU 73 Ca -0.07 0.30 0.11 0.00 -0.42 0.00 0.00 57.16 57.08 2kfw n GLU 73 Cb 0.49 -1.50 0.53 0.00 -0.57 0.00 0.00 31.44 30.38 2kfw n GLU 73 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kfw n ASN 74 N -1.43 0.57 -1.24 1.62 5.15 -1.26 -2.10 115.26 116.58 2kfw n ASN 74 Ca 0.03 0.71 -0.02 0.00 -0.60 0.00 0.00 54.58 54.70 2kfw n ASN 74 Cb 0.10 -0.81 0.12 0.00 -0.53 0.00 0.00 39.78 38.66 2kfw n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfw n LEU 75 N -2.21 2.94 -4.76 1.20 -0.00 -0.99 -5.07 117.00 108.11 2kfw n LEU 75 Ca 0.00 -3.79 -0.36 0.00 -0.00 0.00 0.00 56.01 51.87 2kfw n LEU 75 Cb 0.11 -0.34 0.02 0.00 -0.00 0.00 0.00 43.42 43.22 2kfw n LEU 75 CO 0.13 1.43 0.82 0.68 -0.00 0.00 0.00 177.39 180.46 2kfw s VAL 76 N -3.15 2.79 -0.12 1.47 -7.23 -0.89 -4.86 120.40 108.42 2kfw s VAL 76 Ca 0.40 0.50 0.03 0.00 -1.81 0.00 0.00 61.98 61.09 2kfw s VAL 76 Cb 0.38 -3.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 2kfw s VAL 76 CO -0.05 -0.10 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.32 2kfw s GLN 77 N -3.31 3.12 -0.20 4.82 -1.52 -0.04 -5.00 119.66 117.53 2kfw s GLN 77 Ca 0.76 -0.83 -0.02 0.00 -1.95 0.00 0.00 55.36 53.32 2kfw s GLN 77 Cb -0.28 -2.40 -0.00 0.00 -0.22 0.00 0.00 33.01 30.10 2kfw s GLN 77 CO 0.31 0.14 -0.10 -0.98 -0.25 0.00 0.00 175.29 174.42 2kfw s ARG 78 N 0.45 3.27 -0.12 2.91 1.70 -1.26 0.29 118.95 126.19 2kfw s ARG 78 Ca -0.15 -0.69 -0.11 0.00 -0.47 0.00 0.00 55.73 54.32 2kfw s ARG 78 Cb -0.17 -2.85 0.03 0.00 -0.57 0.00 0.00 34.95 31.39 2kfw s ARG 78 CO 0.06 -0.16 0.31 0.08 -1.08 0.00 0.00 175.30 174.52 2kfw s VAL 79 N 1.30 -0.00 0.86 4.99 1.01 -0.11 -4.95 120.40 123.50 2kfw s VAL 79 Ca 0.04 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 2kfw s VAL 79 Cb -0.14 -0.44 0.10 0.00 0.00 0.00 0.00 36.38 35.90 2kfw s VAL 79 CO -0.05 0.00 1.10 -2.16 0.00 0.00 0.00 175.10 173.99 2kfw s PRO 80 N 0.24 1.60 0.47 2.72 0.04 -1.26 -3.10 135.00 135.71 2kfw s PRO 80 Ca -0.01 0.69 0.18 0.00 0.04 0.00 0.00 61.00 61.90 2kfw s PRO 80 Cb -0.03 -1.86 1.16 0.00 0.04 0.00 0.00 34.50 33.81 2kfw s PRO 80 CO -0.00 -1.97 2.03 -0.22 0.04 0.00 0.00 177.00 176.88 2kfw h LYS 81 N -1.35 0.00 0.00 4.56 3.64 -1.94 -1.88 116.57 119.60 2kfw h LYS 81 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2kfw h LYS 81 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2kfw h LYS 81 CO 0.57 0.15 0.19 0.22 -2.27 0.00 0.00 179.45 178.32 2kfw h ASP 82 N 0.00 0.00 0.00 4.20 3.58 -1.92 -0.73 116.42 121.55 2kfw h ASP 82 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kfw h ASP 82 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2kfw h ASP 82 CO 0.02 0.00 -1.17 0.52 -2.88 0.00 0.00 179.24 175.73 2kfw n VAL 83 N -2.71 0.00 0.31 2.25 0.31 -0.73 -4.49 118.33 113.28 2kfw n VAL 83 Ca -0.02 -0.23 0.17 0.00 -0.01 0.00 0.00 64.34 64.25 2kfw n VAL 83 Cb 0.24 0.47 0.93 0.00 -0.91 0.00 0.00 33.84 34.56 2kfw n VAL 83 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2kfw h PHE 84 N 0.00 0.00 -6.30 3.52 -1.00 -0.88 -3.46 116.94 108.81 2kfw h PHE 84 Ca 0.00 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.54 2kfw h PHE 84 Cb 0.37 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.94 2kfw h PHE 84 CO 0.00 0.00 -1.08 -1.33 -1.61 0.00 0.00 178.31 174.29 2kfw n MET 85 N -2.84 -1.68 0.00 1.51 2.81 -1.24 -4.81 117.12 110.88 2kfw n MET 85 Ca -0.02 1.42 0.00 0.00 -1.81 0.00 0.00 57.70 57.29 2kfw n MET 85 Cb 0.22 -2.37 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 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 0.19 2.49 0.00 3.03 0.00 -1.26 -4.98 105.19 104.65 2kfw n GLY 86 Ca -0.04 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2kfw n GLY 86 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2kfw n VAL 87 N 1.26 0.00 -0.94 1.61 3.14 -1.26 -4.99 118.33 117.15 2kfw n VAL 87 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2kfw n VAL 87 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2kfw n ASP 88 N 0.00 -4.73 0.00 6.55 2.03 -1.26 -4.77 116.55 114.38 2kfw n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kfw n ASP 88 Cb 0.00 -2.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.52 2kfw n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kfw n GLU 89 N 0.02 0.00 -3.52 -0.67 1.02 -1.26 -5.13 120.64 111.10 2kfw n GLU 89 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2kfw n GLU 89 Cb 0.36 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.65 2kfw n GLU 89 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kfw s LEU 90 N 0.00 1.15 0.55 -4.62 1.43 -1.26 -5.10 118.68 110.83 2kfw s LEU 90 Ca 0.00 -2.04 0.02 0.00 -1.03 0.00 0.00 54.13 51.08 2kfw s LEU 90 Cb 0.00 -0.48 0.04 0.00 0.03 0.00 0.00 46.19 45.78 2kfw s LEU 90 CO 0.00 -0.33 0.77 -1.58 0.23 0.00 0.00 176.35 175.44 2kfw s GLN 91 N 1.21 2.49 -0.25 1.70 2.00 -1.26 -5.05 119.66 120.50 2kfw s GLN 91 Ca 0.16 -0.89 -0.25 0.00 -2.00 0.00 0.00 55.36 52.38 2kfw s GLN 91 Cb -0.22 -2.51 -0.00 0.00 0.80 0.00 0.00 33.01 31.08 2kfw s GLN 91 CO -0.08 -0.73 0.85 0.54 -0.50 0.00 0.00 175.29 175.37 2kfw s VAL 92 N -2.75 4.80 0.00 1.34 0.11 -1.26 -3.61 120.40 119.03 2kfw s VAL 92 Ca 0.58 1.57 0.00 0.00 -2.93 0.00 0.00 61.98 61.20 2kfw s VAL 92 Cb -0.10 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 2kfw s VAL 92 CO 0.38 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 2kfw n GLY 93 N 3.77 2.30 3.73 6.54 0.00 0.34 -4.98 105.19 116.89 2kfw n GLY 93 Ca 0.06 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 4.20 -0.22 1.61 0.00 -1.24 -4.43 119.30 119.23 2kfw s MET 94 Ca 0.00 2.42 -0.12 0.00 0.00 0.00 0.00 55.69 57.98 2kfw s MET 94 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 34.83 31.67 2kfw s MET 94 CO 0.00 -0.59 0.24 0.50 0.00 0.00 0.00 175.02 175.17 2kfw s ARG 95 N 0.55 4.13 0.14 4.11 3.52 -1.26 -3.59 118.95 126.55 2kfw s ARG 95 Ca 0.67 -0.08 0.10 0.00 -0.13 0.00 0.00 55.73 56.29 2kfw s ARG 95 Cb -0.45 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 2kfw s ARG 95 CO 0.37 0.07 -0.23 -0.59 -0.81 0.00 0.00 175.30 174.11 2kfw s PHE 96 N 1.00 2.07 -0.76 5.12 -0.12 -1.05 -4.97 117.98 119.26 2kfw s PHE 96 Ca 0.12 -0.40 -0.27 0.00 -0.05 0.00 0.00 56.93 56.33 2kfw s PHE 96 Cb -0.14 -1.10 0.03 0.00 -0.63 0.00 0.00 43.02 41.19 2kfw s PHE 96 CO 0.05 0.32 1.32 -1.17 -0.05 0.00 0.00 175.22 175.70 2kfw s LEU 97 N -2.21 3.20 -0.35 -1.99 1.98 -1.26 -2.97 118.68 115.08 2kfw s LEU 97 Ca 0.13 -0.52 -0.27 0.00 -2.89 0.00 0.00 54.13 50.58 2kfw s LEU 97 Cb -0.09 -2.56 -0.05 0.00 0.66 0.00 0.00 46.19 44.15 2kfw s LEU 97 CO 0.06 -1.83 2.24 0.00 -1.89 0.00 0.00 176.35 174.93 2kfw s ALA 98 N 5.82 2.28 -1.08 5.97 0.00 0.34 -4.76 121.76 130.33 2kfw s ALA 98 Ca 0.38 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 2kfw s ALA 98 Cb -0.07 -4.19 0.10 0.00 0.00 0.00 0.00 23.12 18.95 2kfw s ALA 98 CO 0.13 -3.49 1.41 -2.00 0.00 0.00 0.00 175.76 171.81 2kfw s GLU 99 N 7.07 3.75 0.19 0.00 2.12 -1.26 -1.29 118.70 129.29 2kfw s GLU 99 Ca 0.96 -1.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.57 2kfw s GLU 99 Cb -0.25 -5.22 -0.04 0.00 0.26 0.00 0.00 34.13 28.88 2kfw s GLU 99 CO 0.31 -2.02 0.38 0.95 -0.54 0.00 0.00 175.26 174.34 2kfw s THR 100 N 3.64 5.21 0.35 -1.70 -4.23 -1.14 -4.95 115.64 112.81 2kfw s THR 100 Ca 0.43 -0.34 0.27 0.00 -1.18 0.00 0.00 61.69 60.88 2kfw s THR 100 Cb -0.01 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.38 2kfw s THR 100 CO -0.05 -0.15 1.82 -2.24 -0.54 0.00 0.00 174.62 173.46 2kfw h ASP 101 N 2.08 0.00 -0.32 3.99 2.03 -2.02 0.31 116.42 122.49 2kfw h ASP 101 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2kfw h ASP 101 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kfw h ASP 101 CO 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.89 2kfw n GLN 102 N -2.61 2.25 0.00 4.15 10.64 -1.26 -5.00 117.38 125.56 2kfw n GLN 102 Ca -0.02 -1.37 0.00 0.00 -1.83 0.00 0.00 57.00 53.78 2kfw n GLN 102 Cb 0.24 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 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 0.75 2.57 3.75 2.61 0.00 0.11 -5.01 105.19 109.96 2kfw n GLY 103 Ca 0.12 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.78 4.57 -0.03 1.61 0.04 -1.26 -2.90 135.00 134.25 2kfw s PRO 104 Ca 0.00 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.90 2kfw s PRO 104 Cb 0.00 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.38 2kfw s PRO 104 CO 0.00 0.09 0.03 0.08 0.04 0.00 0.00 177.00 177.24 2kfw s VAL 105 N -0.87 0.02 0.05 -0.36 1.01 -0.41 -4.96 120.40 114.88 2kfw s VAL 105 Ca 0.47 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 2kfw s VAL 105 Cb -0.33 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.83 2kfw s VAL 105 CO 0.41 0.13 1.25 -2.16 0.00 0.00 0.00 175.10 174.73 2kfw s PRO 106 N 1.29 4.39 0.18 2.72 0.04 -1.26 -0.50 135.00 141.85 2kfw s PRO 106 Ca -0.06 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 2kfw s PRO 106 Cb -0.13 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 2kfw s PRO 106 CO -0.03 -0.35 0.19 0.14 0.04 0.00 0.00 177.00 177.00 2kfw s VAL 107 N 1.37 0.04 0.33 -0.36 -7.23 -1.16 -3.89 120.40 109.50 2kfw s VAL 107 Ca 0.60 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2kfw s VAL 107 Cb -0.30 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2kfw s VAL 107 CO 0.28 -0.18 0.12 -0.70 -0.31 0.00 0.00 175.10 174.31 2kfw s GLU 108 N -4.07 1.67 -0.22 4.82 2.12 -0.70 -2.53 118.70 119.79 2kfw s GLU 108 Ca 0.28 -1.96 0.02 0.00 0.36 0.00 0.00 54.97 53.67 2kfw s GLU 108 Cb 0.05 -0.43 0.04 0.00 0.26 0.00 0.00 34.13 34.06 2kfw s GLU 108 CO 0.07 -0.38 -0.13 0.42 -0.54 0.00 0.00 175.26 174.69 2kfw s ILE 109 N -3.45 1.97 -0.08 -3.70 -1.09 -1.24 -2.32 121.20 111.30 2kfw s ILE 109 Ca 0.33 -1.26 0.10 0.00 -2.23 0.00 0.00 60.65 57.59 2kfw s ILE 109 Cb 0.05 -1.99 -0.14 0.00 -1.58 0.00 0.00 42.46 38.81 2kfw s ILE 109 CO 0.16 0.18 0.09 1.07 -1.23 0.00 0.00 174.94 175.20 2kfw n THR 110 N 4.56 0.53 -3.88 2.92 5.66 -1.24 0.12 114.28 122.96 2kfw n THR 110 Ca -0.16 -0.39 -0.09 0.00 -3.05 0.00 0.00 64.05 60.36 2kfw n THR 110 Cb 0.46 -0.49 -0.08 0.00 -1.55 0.00 0.00 70.33 68.66 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw s ALA 111 N -2.37 -0.19 -0.24 1.79 0.00 -1.26 -4.90 121.76 114.59 2kfw s ALA 111 Ca -0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2kfw s ALA 111 Cb 0.04 0.40 0.08 0.00 0.00 0.00 0.00 23.12 23.64 2kfw s ALA 111 CO 0.43 -0.44 0.10 0.08 0.00 0.00 0.00 175.76 175.92 2kfw s VAL 112 N -3.42 0.19 0.73 0.00 1.01 -1.26 -2.35 120.40 115.30 2kfw s VAL 112 Ca 0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2kfw s VAL 112 Cb 0.03 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.47 2kfw s VAL 112 CO -0.09 -0.50 1.08 -1.61 0.00 0.00 0.00 175.10 173.99 2kfw s GLU 113 N 1.99 2.31 0.22 2.72 0.41 0.50 -4.91 118.70 121.93 2kfw s GLU 113 Ca 0.05 0.05 -0.31 0.00 -0.41 0.00 0.00 54.97 54.36 2kfw s GLU 113 Cb -0.16 -2.07 -0.11 0.00 -1.78 0.00 0.00 34.13 30.01 2kfw s GLU 113 CO -0.22 -1.28 1.56 0.34 -0.49 0.00 0.00 175.26 175.17 2kfw s ASP 114 N -4.49 6.53 -0.90 -0.19 -1.08 -1.26 -1.90 116.67 113.38 2kfw s ASP 114 Ca 0.60 2.73 0.00 0.00 -0.52 0.00 0.00 52.55 55.36 2kfw s ASP 114 Cb -0.11 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2kfw s ASP 114 CO 0.48 -0.83 0.00 0.47 0.52 0.00 0.00 175.17 175.81 2kfw n ASP 115 N 3.15 -3.02 -3.64 -0.34 9.92 -1.26 -4.84 116.55 116.51 2kfw n ASP 115 Ca 0.11 0.25 -0.04 0.00 -0.53 0.00 0.00 54.79 54.58 2kfw n ASP 115 Cb 0.38 -2.71 -0.07 0.00 -0.64 0.00 0.00 41.12 38.08 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2kfw s HIS 116 N -2.24 -0.28 0.21 1.24 2.46 -0.80 -4.60 115.29 111.27 2kfw s HIS 116 Ca 0.00 0.64 0.05 0.00 0.47 0.00 0.00 55.06 56.23 2kfw s HIS 116 Cb 0.00 0.36 -0.05 0.00 -0.13 0.00 0.00 32.58 32.76 2kfw s HIS 116 CO 0.00 -0.14 -0.07 0.54 -2.47 0.00 0.00 174.74 172.60 2kfw s VAL 117 N 0.47 1.32 -0.12 0.89 0.11 -1.18 0.19 120.40 122.08 2kfw s VAL 117 Ca 0.01 -2.09 0.00 0.00 -2.93 0.00 0.00 61.98 56.97 2kfw s VAL 117 Cb -0.04 -2.15 -0.02 0.00 -1.53 0.00 0.00 36.38 32.64 2kfw s VAL 117 CO -0.12 -0.51 -0.12 0.68 -3.33 0.00 0.00 175.10 171.70 2kfw s VAL 118 N -3.23 3.13 -0.03 2.04 -7.23 -0.99 -0.93 120.40 113.16 2kfw s VAL 118 Ca 0.24 -0.64 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2kfw s VAL 118 Cb 0.03 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2kfw s VAL 118 CO 0.06 0.53 -0.12 0.54 -0.31 0.00 0.00 175.10 175.81 2kfw s VAL 119 N 0.14 1.01 -0.04 1.32 0.11 0.15 -3.72 120.40 119.37 2kfw s VAL 119 Ca -0.06 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 2kfw s VAL 119 Cb -0.15 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2kfw s VAL 119 CO 0.05 0.31 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.48 2kfw s ASP 120 N 0.19 0.68 0.22 3.54 2.15 -0.98 -0.86 116.67 121.62 2kfw s ASP 120 Ca -0.04 -0.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.56 2kfw s ASP 120 Cb -0.10 -0.34 -0.09 0.00 -0.30 0.00 0.00 42.92 42.09 2kfw s ASP 120 CO 0.01 -0.07 1.16 -0.83 -0.17 0.00 0.00 175.17 175.27 2kfw s GLY 121 N 0.92 2.85 -0.17 2.66 0.00 -1.25 -1.71 107.32 110.61 2kfw s GLY 121 Ca -0.11 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.55 2kfw s GLY 121 CO -0.01 1.71 -0.18 0.54 0.00 0.00 0.00 173.10 175.17 2kfw s ASN 122 N -0.28 3.34 0.22 1.64 2.20 -1.26 -4.54 114.94 116.27 2kfw s ASN 122 Ca 0.49 -0.59 0.00 0.00 -0.94 0.00 0.00 52.86 51.83 2kfw s ASN 122 Cb -0.32 -1.52 0.00 0.00 -2.00 0.00 0.00 41.25 37.41 2kfw s ASN 122 CO 0.39 0.02 0.00 1.41 -2.94 0.00 0.00 177.10 175.98 2kfw n HIS 123 N 4.46 -0.95 -0.27 1.54 8.25 -1.26 -4.89 115.22 122.10 2kfw n HIS 123 Ca -0.20 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.20 2kfw n HIS 123 Cb 0.51 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.67 2kfw n HIS 123 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2kfw h MET 124 N 0.00 1.09 0.00 -0.41 4.05 -1.96 -3.43 114.93 114.27 2kfw h MET 124 Ca 0.00 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 2kfw h MET 124 Cb 0.00 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 2kfw h MET 124 CO 0.00 0.88 0.00 -0.11 0.23 0.00 0.00 176.91 177.91 2kfw n LEU 125 N -4.36 0.00 0.00 3.39 7.94 -1.26 -5.00 117.00 117.72 2kfw n LEU 125 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2kfw n LEU 125 Cb 0.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.12 2kfw n LEU 125 CO 0.40 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.68 2kfw n ALA 126 N 0.00 0.00 0.00 1.96 0.00 -1.26 -4.59 120.51 116.62 2kfw n ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kfw n ALA 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kfw n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfw n GLY 127 N 5.00 2.81 3.21 0.00 0.00 -1.26 -4.85 105.19 110.10 2kfw n GLY 127 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.05 -1.29 1.61 7.27 -1.26 -4.90 117.38 119.85 2kfw n GLN 128 Ca 0.00 -4.47 -0.39 0.00 0.07 0.00 0.00 57.00 52.20 2kfw n GLN 128 Cb 0.00 -2.47 0.01 0.00 2.41 0.00 0.00 30.24 30.19 2kfw n GLN 128 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2kfw n ASN 129 N 2.45 -3.13 -4.91 1.69 0.23 -1.26 -4.71 115.26 105.62 2kfw n ASN 129 Ca 0.23 0.70 -0.21 0.00 -0.53 0.00 0.00 54.58 54.78 2kfw n ASN 129 Cb 0.38 -0.90 -0.02 0.00 -2.08 0.00 0.00 39.78 37.16 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 4.30 3.37 0.01 -4.53 1.02 -1.26 -4.83 118.68 116.76 2kfw s LEU 130 Ca 0.59 -0.73 -0.18 0.00 0.02 0.00 0.00 54.13 53.82 2kfw s LEU 130 Cb -0.52 -2.07 -0.06 0.00 0.02 0.00 0.00 46.19 43.56 2kfw s LEU 130 CO 0.64 -0.74 0.52 -0.54 0.02 0.00 0.00 176.35 176.25 2kfw s LYS 131 N -4.20 4.17 -0.30 1.70 3.01 -0.85 -2.47 119.74 120.79 2kfw s LYS 131 Ca 0.49 0.62 -0.02 0.00 -1.01 0.00 0.00 55.97 56.05 2kfw s LYS 131 Cb -0.04 -3.28 0.10 0.00 -1.01 0.00 0.00 37.83 33.60 2kfw s LYS 131 CO 0.29 0.54 0.11 -0.06 0.51 0.00 0.00 175.35 176.73 2kfw s PHE 132 N -0.69 1.20 0.71 3.18 0.08 0.14 -2.17 117.98 120.43 2kfw s PHE 132 Ca 0.28 -1.43 -0.14 0.00 0.12 0.00 0.00 56.93 55.76 2kfw s PHE 132 Cb -0.18 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 2kfw s PHE 132 CO 0.16 -0.86 1.15 -0.80 -0.10 0.00 0.00 175.22 174.77 2kfw s ASN 133 N 1.79 4.53 -0.09 1.36 0.02 0.14 -2.78 114.94 119.91 2kfw s ASN 133 Ca 0.10 2.16 -0.08 0.00 -1.02 0.00 0.00 52.86 54.01 2kfw s ASN 133 Cb -0.17 -2.57 0.03 0.00 0.02 0.00 0.00 41.25 38.56 2kfw s ASN 133 CO -0.30 -2.03 0.25 -0.69 0.02 0.00 0.00 177.10 174.36 2kfw s VAL 134 N -2.23 -0.00 -0.20 1.60 1.01 -0.77 -2.35 120.40 117.47 2kfw s VAL 134 Ca 0.70 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 2kfw s VAL 134 Cb -0.24 -0.36 0.07 0.00 0.00 0.00 0.00 36.38 35.86 2kfw s VAL 134 CO 0.45 0.01 0.12 -1.61 0.00 0.00 0.00 175.10 174.07 2kfw s GLU 135 N 0.24 0.11 0.21 2.72 2.02 0.15 -2.06 118.70 122.08 2kfw s GLU 135 Ca -0.01 -0.13 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 2kfw s GLU 135 Cb -0.03 -1.58 -0.08 0.00 0.10 0.00 0.00 34.13 32.54 2kfw s GLU 135 CO -0.01 -0.75 1.11 0.08 0.02 0.00 0.00 175.26 175.71 2kfw s VAL 136 N 2.16 3.71 -0.11 2.63 1.01 -1.09 -1.49 120.40 127.22 2kfw s VAL 136 Ca 0.04 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.53 2kfw s VAL 136 Cb -0.16 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2kfw s VAL 136 CO -0.16 0.30 -0.14 0.52 0.00 0.00 0.00 175.10 175.63 2kfw n VAL 137 N 1.99 0.63 -4.06 2.92 0.31 -0.17 0.82 118.33 120.78 2kfw n VAL 137 Ca 0.02 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 2kfw n VAL 137 Cb 0.46 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.86 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw s ALA 138 N -2.21 0.21 -0.28 3.52 0.00 -1.25 -4.34 121.76 117.41 2kfw s ALA 138 Ca -0.16 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.67 2kfw s ALA 138 Cb 0.06 1.15 0.16 0.00 0.00 0.00 0.00 23.12 24.49 2kfw s ALA 138 CO 0.21 -0.79 0.42 0.42 0.00 0.00 0.00 175.76 176.03 2kfw s ILE 139 N -3.94 -0.67 0.27 0.00 1.01 -1.25 -3.42 121.20 113.21 2kfw s ILE 139 Ca 0.27 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2kfw s ILE 139 Cb 0.01 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 2kfw s ILE 139 CO 0.11 -0.23 0.02 -0.13 0.00 0.00 0.00 174.94 174.72 2kfw s ARG 140 N 2.58 1.49 0.27 2.79 1.81 -0.08 -4.91 118.95 122.90 2kfw s ARG 140 Ca 0.11 -1.79 -0.08 0.00 -1.72 0.00 0.00 55.73 52.25 2kfw s ARG 140 Cb -0.13 -0.74 -0.06 0.00 -0.45 0.00 0.00 34.95 33.56 2kfw s ARG 140 CO -0.27 -0.13 0.57 -1.83 -0.68 0.00 0.00 175.30 172.96 2kfw s GLU 141 N -3.87 3.74 0.24 3.54 -1.05 -1.26 0.26 118.70 120.30 2kfw s GLU 141 Ca 0.32 0.21 0.04 0.00 -0.15 0.00 0.00 54.97 55.39 2kfw s GLU 141 Cb 0.07 -2.62 -0.03 0.00 -0.44 0.00 0.00 34.13 31.11 2kfw s GLU 141 CO 0.12 0.24 0.37 0.00 0.95 0.00 0.00 175.26 176.94 2kfw s ALA 142 N -1.97 3.91 1.08 -0.84 0.00 -1.24 -4.75 121.76 117.96 2kfw s ALA 142 Ca 0.47 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2kfw s ALA 142 Cb -0.11 -1.77 0.16 0.00 0.00 0.00 0.00 23.12 21.40 2kfw s ALA 142 CO 0.25 0.24 0.69 0.25 0.00 0.00 0.00 175.76 177.20 2kfw n THR 143 N -1.37 0.00 -0.11 0.00 -2.24 -1.26 -4.73 114.28 104.57 2kfw n THR 143 Ca -0.08 -0.41 -0.03 0.00 -2.27 0.00 0.00 64.05 61.26 2kfw n THR 143 Cb 0.57 -1.39 0.19 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.79 -0.24 -0.78 5.08 -1.99 -2.53 114.58 114.91 2kfw h GLU 144 Ca -0.24 -0.18 -0.18 0.00 -1.00 0.00 0.00 59.36 57.75 2kfw h GLU 144 Cb 0.71 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kfw h GLU 144 CO 0.16 0.75 -0.58 1.49 -1.00 0.00 0.00 179.01 179.83 2kfw h GLU 145 N 0.75 0.77 -0.24 2.33 4.81 -1.99 -1.50 114.58 119.52 2kfw h GLU 145 Ca 0.16 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2kfw h GLU 145 Cb 0.35 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2kfw h GLU 145 CO 0.01 1.13 0.15 0.93 -0.73 0.00 0.00 179.01 180.50 2kfw h GLU 146 N 0.58 0.31 0.00 1.92 5.08 -1.80 -1.20 114.58 119.48 2kfw h GLU 146 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kfw h GLU 146 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2kfw h GLU 146 CO 0.12 0.22 0.00 1.28 -1.00 0.00 0.00 179.01 179.64 2kfw n LEU 147 N -4.91 0.00 0.05 1.33 4.77 -0.98 -1.61 117.00 115.65 2kfw n LEU 147 Ca -0.03 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2kfw n LEU 147 Cb 0.03 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 2kfw n LEU 147 CO 0.34 -0.04 0.44 0.00 -1.33 0.00 0.00 177.39 176.80 2kfw h ALA 148 N 3.12 -0.20 -0.00 -1.18 0.00 -0.12 -3.13 119.26 117.75 2kfw h ALA 148 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kfw h ALA 148 Cb 0.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kfw h ALA 148 CO 0.00 -0.30 0.00 0.72 0.00 0.00 0.00 179.25 179.67 2kfw n HIS 149 N -4.92 0.00 0.00 0.00 8.25 -1.12 -4.87 115.22 112.56 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 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2kfw n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 150 N 1.02 2.96 3.58 -1.41 0.00 -1.18 -4.99 105.19 105.18 2kfw n GLY 150 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.95 -0.40 -0.17 1.61 -3.43 -0.63 -4.36 115.29 104.96 2kfw s HIS 151 Ca 0.00 0.11 -0.29 0.00 -0.80 0.00 0.00 55.06 54.08 2kfw s HIS 151 Cb 0.00 0.61 -0.05 0.00 -1.43 0.00 0.00 32.58 31.71 2kfw s HIS 151 CO 0.00 -0.96 1.86 0.54 -2.00 0.00 0.00 174.74 174.18 2kfw s VAL 152 N -3.76 3.35 0.19 -5.38 0.11 -1.25 -4.58 120.40 109.06 2kfw s VAL 152 Ca 0.05 0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2kfw s VAL 152 Cb -0.03 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 2kfw s VAL 152 CO -0.06 -0.16 0.00 1.57 -3.33 0.00 0.00 175.10 173.13 2kfw n HIS 153 N 9.18 -3.19 0.00 1.54 -0.00 -1.26 -5.07 115.22 116.42 2kfw n HIS 153 Ca 0.22 0.62 0.00 0.00 -0.00 0.00 0.00 57.72 58.56 2kfw n HIS 153 Cb 0.44 1.82 0.00 0.00 -0.00 0.00 0.00 29.99 32.25 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 -1.21 0.20 4.22 1.57 0.00 -1.26 -4.82 105.19 103.90 2kfw n GLY 154 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 155 N 0.00 -1.33 -0.04 4.61 0.00 -1.26 -4.87 120.51 117.62 2kfw n ALA 155 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 2kfw n ALA 155 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 19.45 16.22 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 -1.51 0.00 -0.20 0.00 2.76 -1.99 -3.36 115.15 110.85 2kfw h HIS 156 Ca -0.60 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.54 2kfw h HIS 156 Cb 1.38 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 2kfw h HIS 156 CO 0.62 0.00 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.78 2kfw h ASP 157 N -0.68 0.28 0.00 3.26 5.19 -1.99 -3.47 116.42 119.02 2kfw h ASP 157 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2kfw h ASP 157 Cb 0.09 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2kfw h ASP 157 CO 0.00 0.37 0.00 1.57 -3.12 0.00 0.00 179.24 178.06 2kfw n HIS 158 N -4.33 0.00 -1.74 4.55 -0.00 -1.26 -4.87 115.22 107.57 2kfw n HIS 158 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kfw n HIS 158 Cb 0.22 0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 2kfw n HIS 158 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kfw n HIS 159 N 8.94 0.00 -2.33 1.57 -0.00 -1.26 -5.14 115.22 117.00 2kfw n HIS 159 Ca 0.00 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.92 2kfw n HIS 159 Cb 0.00 0.00 0.16 0.00 -0.12 0.00 0.00 29.99 30.03 2kfw n HIS 159 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kfw s HIS 160 N 1.50 1.24 0.06 1.57 3.76 -1.26 -4.94 115.29 117.22 2kfw s HIS 160 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2kfw s HIS 160 Cb 0.00 -3.54 0.00 0.00 1.11 0.00 0.00 32.58 30.15 2kfw s HIS 160 CO 0.00 -2.31 0.00 -0.25 -0.85 0.00 0.00 174.74 171.33 2kfw n ASP 161 N -3.32 -3.18 -3.86 1.40 8.00 -1.26 -4.80 116.55 109.53 2kfw n ASP 161 Ca 0.17 0.29 -0.30 0.00 0.71 0.00 0.00 54.79 55.66 2kfw n ASP 161 Cb 0.60 -0.92 0.01 0.00 -0.02 0.00 0.00 41.12 40.78 2kfw n ASP 161 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kfw n HIS 162 N -1.43 -1.72 -4.24 1.24 -0.00 -1.26 -4.96 115.22 102.84 2kfw n HIS 162 Ca 0.00 0.56 -0.25 0.00 0.46 0.00 0.00 57.72 58.50 2kfw n HIS 162 Cb 0.12 -3.53 -0.17 0.00 -0.12 0.00 0.00 29.99 26.30 2kfw n HIS 162 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 2kfw s ASP 163 N -3.93 1.79 0.00 0.26 1.47 -1.26 -4.98 116.67 110.01 2kfw s ASP 163 Ca 0.24 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.70 2kfw s ASP 163 Cb -0.09 -0.76 0.00 0.00 -0.34 0.00 0.00 42.92 41.73 2kfw s ASP 163 CO 0.89 -0.04 0.49 0.00 0.68 0.00 0.00 175.17 177.18 2kfw n HIS 164 N 4.31 0.00 0.90 2.11 1.44 -1.26 -4.72 115.22 117.99 2kfw n HIS 164 Ca -0.19 -0.11 0.12 0.00 -2.01 0.00 0.00 57.72 55.53 2kfw n HIS 164 Cb 0.51 -0.01 0.27 0.00 0.12 0.00 0.00 29.99 30.88 2kfw n HIS 164 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 165 N -0.11 2.61 -2.96 4.39 -0.08 -1.26 -4.41 116.55 114.73 2kfw n ASP 165 Ca 0.00 -1.85 -0.27 0.00 -1.51 0.00 0.00 54.79 51.16 2kfw n ASP 165 Cb 0.30 -0.11 -0.04 0.00 2.34 0.00 0.00 41.12 43.60 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kfw n GLY 166 N 1.33 5.59 0.00 0.27 0.00 -1.26 -4.69 105.19 106.42 2kfw n GLY 166 Ca 0.17 -2.79 0.00 0.00 0.00 0.00 0.00 46.02 43.40 2kfw n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 169 N 3.43 -0.74 0.00 0.00 0.00 -1.26 -5.04 105.19 101.58 2kfw n GLY 169 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2kfw n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 170 N 0.95 -0.57 2.96 -0.02 0.00 -1.26 -5.02 105.19 102.22 2kfw n GLY 170 Ca 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 2kfw n GLY 170 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 171 N -0.59 -2.16 -0.09 1.61 8.25 -1.26 -4.96 115.22 116.03 2kfw n HIS 171 Ca 0.00 0.76 -0.10 0.00 -0.26 0.00 0.00 57.72 58.13 2kfw n HIS 171 Cb 0.00 -3.86 -0.12 0.00 1.12 0.00 0.00 29.99 27.13 2kfw n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 172 N -1.33 -0.70 1.24 -1.41 0.00 -1.26 -5.10 105.19 96.63 2kfw n GLY 172 Ca -0.05 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2kfw n GLY 172 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 173 N -2.73 -2.95 0.21 1.61 8.25 -1.26 -4.57 115.22 113.77 2kfw n HIS 173 Ca -0.30 1.59 -0.09 0.00 -0.26 0.00 0.00 57.72 58.67 2kfw n HIS 173 Cb 1.01 -2.69 -0.04 0.00 1.12 0.00 0.00 29.99 29.39 2kfw n HIS 173 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2kfw h ASP 174 N -1.33 -0.50 -0.63 0.41 3.32 -1.99 -3.42 116.42 112.28 2kfw h ASP 174 Ca -0.11 0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.66 2kfw h ASP 174 Cb 1.19 0.13 -0.33 0.00 0.22 0.00 0.00 39.33 40.54 2kfw h ASP 174 CO 0.05 -0.11 -0.94 1.57 -1.72 0.00 0.00 179.24 178.10 2kfw n HIS 175 N -4.96 0.13 0.00 4.55 -0.00 -1.26 -5.06 115.22 108.62 2kfw n HIS 175 Ca -0.07 -2.43 0.00 0.00 0.46 0.00 0.00 57.72 55.67 2kfw n HIS 175 Cb 0.23 0.22 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 176 N -0.35 0.52 0.00 1.57 0.00 -1.26 -4.62 105.19 101.05 2kfw n GLY 176 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2kfw n GLY 176 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 177 N 0.00 -0.16 -4.13 1.61 1.44 -1.26 -5.01 115.22 107.70 2kfw n HIS 177 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 2kfw n HIS 177 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2kfw n HIS 177 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 2kfw s GLU 178 N 0.00 3.21 0.00 -1.40 -6.30 -1.26 -4.90 118.70 108.05 2kfw s GLU 178 Ca 0.00 -0.27 0.00 0.00 -2.50 0.00 0.00 54.97 52.20 2kfw s GLU 178 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 34.13 31.14 2kfw s GLU 178 CO 0.00 0.74 0.00 0.72 0.02 0.00 0.00 175.26 176.74 2kfw n HIS 179 N 2.04 -0.57 0.00 5.30 8.25 -1.26 -5.08 115.22 123.90 2kfw n HIS 179 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2kfw n HIS 179 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 1.79 5.11 0.00 -1.41 0.00 -1.26 -5.02 105.19 104.40 2kfw n GLY 180 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 1.00 2.66 3.18 -0.02 0.00 -1.26 -4.84 105.19 105.91 2kfw n GLY 181 Ca 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 2kfw n GLY 181 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kfw n GLU 182 N 0.00 -6.15 -1.17 1.61 2.13 -1.26 -4.98 120.64 110.83 2kfw n GLU 182 Ca 0.00 0.74 -0.29 0.00 0.66 0.00 0.00 57.16 58.27 2kfw n GLU 182 Cb 0.00 -5.42 0.19 0.00 0.27 0.00 0.00 31.44 26.48 2kfw n GLU 182 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kfw s GLY 183 N -3.12 1.57 -0.12 8.31 0.00 -1.26 -5.00 107.32 107.69 2kfw s GLY 183 Ca 0.44 -0.52 0.08 0.00 0.00 0.00 0.00 44.72 44.72 2kfw s GLY 183 CO 0.54 0.16 -0.01 0.00 0.00 0.00 0.00 173.10 173.79 2kfw n GLY 186 N -4.27 0.56 0.00 0.00 0.00 -1.26 -5.11 105.19 95.11 2kfw n GLY 186 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.41 3.77 1.80 -0.02 0.00 -1.26 -5.10 105.19 103.97 2kfw n GLY 187 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2kfw n GLY 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kfw n LYS 188 N 0.00 0.00 -3.94 1.61 0.00 -1.26 -5.17 118.16 109.40 2kfw n LYS 188 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 2kfw n LYS 188 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 2kfw n LYS 188 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kfw s GLY 189 N -1.92 0.37 -0.05 3.14 0.00 -1.26 -5.18 107.32 102.42 2kfw s GLY 189 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 44.72 43.70 2kfw s GLY 189 CO 0.00 -0.44 1.28 0.21 0.00 0.00 0.00 173.10 174.15 2kfw s ASN 190 N -3.00 -0.07 0.00 1.64 3.04 -1.26 -5.13 114.94 110.16 2kfw s ASN 190 Ca 0.18 -0.11 0.00 0.00 0.04 0.00 0.00 52.86 52.97 2kfw s ASN 190 Cb -0.03 0.16 0.00 0.00 -1.54 0.00 0.00 41.25 39.84 2kfw s ASN 190 CO 0.09 -0.29 0.00 0.61 -3.04 0.00 0.00 177.10 174.48 2kfw n GLY 191 N -0.42 1.20 0.15 1.21 0.00 -1.26 -5.08 105.19 100.98 2kfw n GLY 191 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.30 3.61 -0.02 0.00 -1.26 -5.14 105.19 102.68 2kfw n GLY 192 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 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 0.71 1.15 0.00 0.00 0.00 -1.26 -4.93 105.19 100.87 2kfw n GLY 194 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32