#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 0.20 -2.78 2.12 2.85 -1.26 -3.96 118.16 115.33 2kfw n LYS 2 Ca 0.00 -1.63 -0.41 0.00 -1.05 0.00 0.00 58.31 55.22 2kfw n LYS 2 Cb 0.00 -0.39 -0.05 0.00 -0.65 0.00 0.00 35.03 33.94 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 -1.73 4.46 0.36 0.58 1.01 -1.26 -4.86 120.40 118.95 2kfw s VAL 3 Ca 0.39 1.99 0.01 0.00 0.00 0.00 0.00 61.98 64.38 2kfw s VAL 3 Cb -0.02 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2kfw s VAL 3 CO 0.26 0.36 0.44 0.00 0.00 0.00 0.00 175.10 176.16 2kfw s ALA 4 N -0.26 1.15 1.33 5.51 0.00 -1.26 -3.59 121.76 124.65 2kfw s ALA 4 Ca 0.44 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 2kfw s ALA 4 Cb -0.23 1.24 0.34 0.00 0.00 0.00 0.00 23.12 24.47 2kfw s ALA 4 CO 0.29 -0.76 0.98 0.15 0.00 0.00 0.00 175.76 176.43 2kfw s LYS 5 N -3.03 -2.24 0.00 0.00 1.02 -1.26 -2.93 119.74 111.30 2kfw s LYS 5 Ca 0.34 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.52 2kfw s LYS 5 Cb 0.00 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 2kfw s LYS 5 CO 0.24 -4.44 0.00 -0.25 -0.92 0.00 0.00 175.35 169.98 2kfw n ASP 6 N -5.33 -0.95 -3.73 2.83 9.92 -1.26 -4.84 116.55 113.20 2kfw n ASP 6 Ca 0.11 0.47 -0.27 0.00 -0.53 0.00 0.00 54.79 54.58 2kfw n ASP 6 Cb 0.59 -0.97 -0.17 0.00 -0.64 0.00 0.00 41.12 39.94 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2kfw s LEU 7 N -4.82 1.02 0.20 0.64 2.01 -1.15 -2.81 118.68 113.77 2kfw s LEU 7 Ca 0.00 -0.71 -0.31 0.00 0.01 0.00 0.00 54.13 53.11 2kfw s LEU 7 Cb 0.00 -0.54 -0.10 0.00 0.01 0.00 0.00 46.19 45.55 2kfw s LEU 7 CO 0.00 -0.30 1.58 0.68 1.01 0.00 0.00 176.35 179.32 2kfw s VAL 8 N 1.90 2.47 -0.23 -1.59 -7.23 0.81 -3.33 120.40 113.20 2kfw s VAL 8 Ca 0.00 0.35 0.02 0.00 -1.81 0.00 0.00 61.98 60.54 2kfw s VAL 8 Cb -0.16 -3.23 0.05 0.00 0.56 0.00 0.00 36.38 33.60 2kfw s VAL 8 CO -0.08 0.04 -0.11 0.68 -0.31 0.00 0.00 175.10 175.32 2kfw s VAL 9 N 0.85 1.89 -0.32 1.32 -7.23 -0.06 -1.61 120.40 115.23 2kfw s VAL 9 Ca 0.68 -1.32 -0.17 0.00 -1.81 0.00 0.00 61.98 59.37 2kfw s VAL 9 Cb -0.45 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 2kfw s VAL 9 CO 0.35 0.07 0.46 -0.94 -0.31 0.00 0.00 175.10 174.73 2kfw s SER 10 N 1.26 6.30 -0.04 4.85 1.04 -1.04 -3.13 113.70 122.94 2kfw s SER 10 Ca -0.05 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.45 2kfw s SER 10 Cb -0.18 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 63.72 2kfw s SER 10 CO -0.07 -0.37 0.07 -1.48 0.98 0.00 0.00 173.24 172.37 2kfw s LEU 11 N 2.26 0.47 0.36 2.42 0.05 -1.25 0.28 118.68 123.26 2kfw s LEU 11 Ca 0.17 0.11 -0.14 0.00 0.05 0.00 0.00 54.13 54.32 2kfw s LEU 11 Cb -0.16 -0.04 -0.08 0.00 -2.05 0.00 0.00 46.19 43.86 2kfw s LEU 11 CO 0.12 -0.20 0.76 0.00 -0.55 0.00 0.00 176.35 176.48 2kfw s ALA 12 N 1.75 3.30 -0.05 1.48 0.00 -0.99 -4.04 121.76 123.21 2kfw s ALA 12 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 2kfw s ALA 12 Cb -0.12 -2.78 0.05 0.00 0.00 0.00 0.00 23.12 20.27 2kfw s ALA 12 CO -0.04 0.22 0.56 1.52 0.00 0.00 0.00 175.76 178.02 2kfw s TYR 13 N -2.11 -0.51 -0.13 0.00 -0.85 -0.98 -1.59 117.35 111.17 2kfw s TYR 13 Ca 0.54 0.89 0.01 0.00 -0.52 0.00 0.00 57.07 58.00 2kfw s TYR 13 Cb -0.10 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.53 2kfw s TYR 13 CO 0.21 -0.52 -0.17 1.14 -1.52 0.00 0.00 175.55 174.70 2kfw s GLN 14 N -1.11 3.24 0.15 -3.49 -2.07 -1.03 -1.43 119.66 113.91 2kfw s GLN 14 Ca -0.11 -0.76 0.07 0.00 -1.82 0.00 0.00 55.36 52.75 2kfw s GLN 14 Cb -0.02 -2.54 -0.04 0.00 -1.09 0.00 0.00 33.01 29.31 2kfw s GLN 14 CO 0.07 0.13 -0.04 0.54 -1.32 0.00 0.00 175.29 174.68 2kfw s VAL 15 N 0.52 3.58 -0.09 3.63 0.11 -0.82 -2.30 120.40 125.02 2kfw s VAL 15 Ca -0.11 -1.38 -0.07 0.00 -2.93 0.00 0.00 61.98 57.50 2kfw s VAL 15 Cb -0.16 -2.76 0.03 0.00 -1.53 0.00 0.00 36.38 31.96 2kfw s VAL 15 CO 0.04 -0.03 0.23 0.00 -3.33 0.00 0.00 175.10 172.01 2kfw s ARG 16 N -2.68 0.23 0.54 1.54 1.70 -0.88 -3.17 118.95 116.23 2kfw s ARG 16 Ca 0.25 0.39 -0.18 0.00 -0.47 0.00 0.00 55.73 55.72 2kfw s ARG 16 Cb -0.10 0.02 -0.06 0.00 -0.57 0.00 0.00 34.95 34.24 2kfw s ARG 16 CO 0.17 -0.09 1.06 0.95 -1.08 0.00 0.00 175.30 176.31 2kfw s THR 17 N 0.59 3.71 0.64 4.99 -4.23 0.15 -3.11 115.64 118.38 2kfw s THR 17 Ca -0.04 0.95 0.26 0.00 -1.18 0.00 0.00 61.69 61.69 2kfw s THR 17 Cb -0.05 -3.40 0.26 0.00 1.34 0.00 0.00 72.50 70.65 2kfw s THR 17 CO -0.03 -0.34 1.79 -0.08 -0.54 0.00 0.00 174.62 175.42 2kfw h GLU 18 N 1.03 0.00 0.00 3.99 4.81 -1.85 0.47 114.58 123.04 2kfw h GLU 18 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2kfw h GLU 18 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2kfw h GLU 18 CO 0.58 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.39 2kfw n ASP 19 N -2.81 0.00 -0.06 1.04 2.03 -1.26 -4.81 116.55 110.67 2kfw n ASP 19 Ca -0.02 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.63 2kfw n ASP 19 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.32 0.50 3.38 0.27 0.00 0.17 -5.06 105.19 104.76 2kfw n GLY 20 Ca 0.16 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.13 2.16 -0.23 1.61 1.01 -1.18 -4.93 120.40 116.70 2kfw s VAL 21 Ca 0.00 -1.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.04 2kfw s VAL 21 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2kfw s VAL 21 CO 0.00 -0.01 0.34 -0.76 0.00 0.00 0.00 175.10 174.67 2kfw s LEU 22 N -2.21 4.11 -0.20 3.92 2.01 -1.26 0.29 118.68 125.33 2kfw s LEU 22 Ca 0.14 0.35 -0.17 0.00 0.01 0.00 0.00 54.13 54.47 2kfw s LEU 22 Cb -0.09 -2.40 -0.12 0.00 0.01 0.00 0.00 46.19 43.59 2kfw s LEU 22 CO 0.07 -0.08 -0.04 0.52 1.01 0.00 0.00 176.35 177.83 2kfw n VAL 23 N 4.57 1.50 -3.94 -1.59 0.31 -1.19 -4.94 118.33 113.05 2kfw n VAL 23 Ca -0.10 -0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 2kfw n VAL 23 Cb 0.51 -2.14 -0.10 0.00 -0.91 0.00 0.00 33.84 31.20 2kfw n VAL 23 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2kfw s ASP 24 N -6.57 0.17 -0.13 4.52 1.01 -1.26 -5.07 116.67 109.34 2kfw s ASP 24 Ca -0.27 -0.42 -0.08 0.00 0.71 0.00 0.00 52.55 52.49 2kfw s ASP 24 Cb 0.06 0.15 0.05 0.00 1.01 0.00 0.00 42.92 44.19 2kfw s ASP 24 CO 0.46 -0.36 0.33 -0.70 0.21 0.00 0.00 175.17 175.10 2kfw s GLU 25 N -1.65 0.31 -0.27 8.23 2.12 -1.26 -1.95 118.70 124.23 2kfw s GLU 25 Ca -0.14 0.61 0.01 0.00 0.36 0.00 0.00 54.97 55.81 2kfw s GLU 25 Cb -0.08 -0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.35 2kfw s GLU 25 CO -0.01 -0.14 -0.06 -1.54 -0.54 0.00 0.00 175.26 172.98 2kfw s SER 26 N 1.08 4.60 0.99 -1.70 1.04 -0.51 -4.98 113.70 114.21 2kfw s SER 26 Ca -0.07 -1.29 -0.14 0.00 0.48 0.00 0.00 55.95 54.93 2kfw s SER 26 Cb -0.08 -1.63 0.18 0.00 0.10 0.00 0.00 66.02 64.60 2kfw s SER 26 CO -0.08 -0.21 1.13 -2.16 0.98 0.00 0.00 173.24 172.90 2kfw s PRO 27 N 1.19 0.50 0.30 4.02 0.04 -1.26 -2.31 135.00 137.48 2kfw s PRO 27 Ca -0.06 0.25 0.26 0.00 0.04 0.00 0.00 61.00 61.48 2kfw s PRO 27 Cb -0.19 -1.77 1.01 0.00 0.04 0.00 0.00 34.50 33.58 2kfw s PRO 27 CO -0.03 -2.62 1.76 -0.39 0.04 0.00 0.00 177.00 175.76 2kfw h VAL 28 N -1.80 0.00 0.00 -0.36 -1.51 -1.98 -1.88 116.25 108.71 2kfw h VAL 28 Ca -0.51 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2kfw h VAL 28 Cb 1.32 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2kfw h VAL 28 CO 0.55 0.00 -0.19 -1.20 -1.23 0.00 0.00 177.57 175.50 2kfw n SER 29 N -2.40 0.57 -2.71 4.19 7.64 -1.26 -4.23 113.62 115.42 2kfw n SER 29 Ca 0.02 0.38 -0.08 0.00 1.01 0.00 0.00 58.87 60.20 2kfw n SER 29 Cb 0.28 -0.41 0.08 0.00 -1.01 0.00 0.00 64.21 63.15 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kfw n ALA 30 N -1.70 1.76 -1.43 -0.43 0.00 -0.96 -5.13 120.51 112.62 2kfw n ALA 30 Ca 0.05 -1.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.23 2kfw n ALA 30 Cb 0.40 -0.99 0.09 0.00 0.00 0.00 0.00 19.45 18.95 2kfw n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kfw s PRO 31 N -0.93 2.10 -0.62 0.00 0.04 -0.75 -4.45 135.00 130.39 2kfw s PRO 31 Ca 0.24 0.83 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 2kfw s PRO 31 Cb 0.41 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 33.09 2kfw s PRO 31 CO -0.05 -1.66 1.04 -0.51 0.04 0.00 0.00 177.00 175.87 2kfw s LEU 32 N -5.85 3.94 -0.40 -3.56 1.02 -1.26 -4.87 118.68 107.69 2kfw s LEU 32 Ca 0.61 -0.51 -0.23 0.00 0.02 0.00 0.00 54.13 54.02 2kfw s LEU 32 Cb -0.16 -2.70 0.02 0.00 0.02 0.00 0.00 46.19 43.38 2kfw s LEU 32 CO 0.55 -1.43 0.78 -1.81 0.02 0.00 0.00 176.35 174.46 2kfw s ASP 33 N 3.27 6.48 0.16 2.29 1.11 -1.26 -3.93 116.67 124.79 2kfw s ASP 33 Ca 0.30 0.13 -0.04 0.00 0.18 0.00 0.00 52.55 53.13 2kfw s ASP 33 Cb -0.12 -2.39 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 2kfw s ASP 33 CO 0.16 -0.82 0.15 -0.31 1.18 0.00 0.00 175.17 175.53 2kfw s TYR 34 N 3.19 0.78 0.71 4.23 2.02 -1.18 -4.57 117.35 122.53 2kfw s TYR 34 Ca 0.31 -1.12 -0.14 0.00 -0.37 0.00 0.00 57.07 55.74 2kfw s TYR 34 Cb -0.13 -0.36 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2kfw s TYR 34 CO 0.20 -0.62 1.13 -0.51 -1.57 0.00 0.00 175.55 174.18 2kfw s LEU 35 N -3.05 3.29 -0.19 -1.29 1.02 -1.26 -0.89 118.68 116.32 2kfw s LEU 35 Ca 0.25 2.06 -0.20 0.00 0.02 0.00 0.00 54.13 56.26 2kfw s LEU 35 Cb 0.06 -4.56 -0.03 0.00 0.02 0.00 0.00 46.19 41.68 2kfw s LEU 35 CO 0.04 -1.91 0.57 -2.28 0.02 0.00 0.00 176.35 172.79 2kfw s HIS 36 N -2.37 3.40 0.00 0.29 5.65 -1.21 -3.97 115.29 117.07 2kfw s HIS 36 Ca 0.68 0.87 0.00 0.00 0.25 0.00 0.00 55.06 56.85 2kfw s HIS 36 Cb -0.22 -2.72 0.00 0.00 -1.18 0.00 0.00 32.58 28.46 2kfw s HIS 36 CO 0.45 -0.10 0.00 0.41 -0.65 0.00 0.00 174.74 174.86 2kfw n GLY 37 N 3.76 2.04 2.69 1.59 0.00 -1.26 -4.31 105.19 109.69 2kfw n GLY 37 Ca -0.03 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.58 2.04 0.00 1.61 0.00 -1.26 -4.85 115.29 112.26 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 -1.84 0.00 0.00 -4.00 0.00 0.00 32.58 26.74 2kfw s HIS 38 CO 0.00 -0.76 0.57 0.41 -1.00 0.00 0.00 174.74 173.96 2kfw n GLY 39 N 3.25 0.73 2.66 -1.38 0.00 -1.25 -4.18 105.19 105.02 2kfw n GLY 39 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2kfw n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfw n SER 40 N 0.00 -5.22 -0.42 1.61 7.64 -1.26 -4.83 113.62 111.14 2kfw n SER 40 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2kfw n SER 40 Cb 0.55 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 2kfw n SER 40 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kfw n LEU 41 N -0.84 0.00 -4.26 -3.43 7.94 -1.26 -5.02 117.00 110.13 2kfw n LEU 41 Ca -0.07 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.48 2kfw n LEU 41 Cb 0.46 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.27 2kfw n LEU 41 CO 0.11 0.00 -0.44 -0.63 -1.11 0.00 0.00 177.39 175.33 2kfw s ILE 42 N 0.00 2.94 0.23 1.96 1.01 -1.26 -5.00 121.20 121.07 2kfw s ILE 42 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 2kfw s ILE 42 Cb 0.00 -2.30 0.22 0.00 0.01 0.00 0.00 42.46 40.39 2kfw s ILE 42 CO 0.00 0.47 1.67 0.77 0.00 0.00 0.00 174.94 177.85 2kfw h SER 43 N 7.94 -0.15 -0.96 3.58 4.64 -1.94 0.87 113.55 127.53 2kfw h SER 43 Ca -0.41 0.15 0.20 0.00 -0.47 0.00 0.00 61.79 61.26 2kfw h SER 43 Cb 1.16 0.24 -0.11 0.00 -0.31 0.00 0.00 62.40 63.38 2kfw h SER 43 CO 0.61 -0.09 0.54 1.23 -0.87 0.00 0.00 176.83 178.25 2kfw h GLY 44 N 0.18 1.70 1.26 -0.77 0.00 -1.95 -0.72 103.07 102.77 2kfw h GLY 44 Ca 0.37 -0.29 -0.28 0.00 0.00 0.00 0.00 47.33 47.13 2kfw h GLY 44 CO -0.53 -0.14 -1.52 -2.00 0.00 0.00 0.00 176.54 172.35 2kfw h LEU 45 N 0.63 0.07 0.10 3.11 5.85 -0.91 -3.33 115.31 120.83 2kfw h LEU 45 Ca 0.57 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.19 2kfw h LEU 45 Cb 0.96 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2kfw h LEU 45 CO -0.43 1.10 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.94 2kfw h GLU 46 N 0.01 -0.69 -0.10 1.25 4.39 0.21 0.99 114.58 120.64 2kfw h GLU 46 Ca -0.22 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.56 2kfw h GLU 46 Cb 1.95 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.76 2kfw h GLU 46 CO 0.10 -0.46 0.11 1.15 -1.16 0.00 0.00 179.01 178.75 2kfw h THR 47 N -0.72 0.51 0.00 1.13 2.02 -1.63 -0.18 112.91 114.04 2kfw h THR 47 Ca 0.01 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 2kfw h THR 47 Cb 0.74 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2kfw h THR 47 CO -0.29 0.00 -0.52 0.00 0.37 0.00 0.00 175.52 175.08 2kfw h ALA 48 N 1.88 1.03 -0.04 6.16 0.00 -0.95 -3.21 119.26 124.12 2kfw h ALA 48 Ca 0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2kfw h ALA 48 Cb 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kfw h ALA 48 CO -0.00 0.65 -0.40 -0.07 0.00 0.00 0.00 179.25 179.43 2kfw h LEU 49 N 0.00 0.41 -9.12 0.00 -0.00 0.02 -3.45 115.31 103.17 2kfw h LEU 49 Ca -0.01 -0.71 -0.71 0.00 -0.00 0.00 0.00 57.88 56.45 2kfw h LEU 49 Cb 0.99 -0.12 0.07 0.00 -0.00 0.00 0.00 40.66 41.60 2kfw h LEU 49 CO 0.07 1.06 0.03 1.21 -0.00 0.00 0.00 178.44 180.81 2kfw n GLU 50 N -4.37 0.45 -2.05 1.13 2.13 -1.14 -4.12 120.64 112.67 2kfw n GLU 50 Ca -0.09 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2kfw n GLU 50 Cb 0.56 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfw n GLY 51 N 1.85 -5.34 0.00 8.31 0.00 -1.24 -4.94 105.19 103.83 2kfw n GLY 51 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kfw n GLY 51 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 52 N 1.61 0.00 -0.80 1.61 8.25 -1.26 -4.89 115.22 119.74 2kfw n HIS 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfw n HIS 52 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kfw n HIS 52 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2kfw n GLU 53 N 0.00 -2.11 -2.14 -0.41 4.07 -1.26 -4.20 120.64 114.58 2kfw n GLU 53 Ca 0.00 1.64 -0.42 0.00 -0.06 0.00 0.00 57.16 58.31 2kfw n GLU 53 Cb 0.00 -2.05 -0.03 0.00 -0.06 0.00 0.00 31.44 29.30 2kfw n GLU 53 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2kfw s VAL 54 N -4.72 3.55 0.00 6.31 1.01 -1.25 -2.66 120.40 122.63 2kfw s VAL 54 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2kfw s VAL 54 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2kfw s VAL 54 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2kfw n GLY 55 N 3.75 0.89 3.73 4.51 0.00 -1.18 -5.04 105.19 111.85 2kfw n GLY 55 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.71 5.89 0.02 1.61 1.11 -1.09 -4.93 116.67 117.58 2kfw s ASP 56 Ca 0.00 0.22 0.02 0.00 0.18 0.00 0.00 52.55 52.98 2kfw s ASP 56 Cb 0.00 -1.95 -0.02 0.00 1.07 0.00 0.00 42.92 42.03 2kfw s ASP 56 CO 0.00 0.27 -0.08 -1.59 1.18 0.00 0.00 175.17 174.95 2kfw s LYS 57 N -0.18 0.54 0.00 8.23 -2.85 -1.26 -1.65 119.74 122.57 2kfw s LYS 57 Ca 0.09 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 2kfw s LYS 57 Cb -0.12 -0.43 0.00 0.00 -2.06 0.00 0.00 37.83 35.22 2kfw s LYS 57 CO 0.01 0.10 0.00 1.97 0.10 0.00 0.00 175.35 177.53 2kfw n PHE 58 N 2.16 -0.02 -3.73 1.78 -1.74 0.52 -4.94 117.46 111.48 2kfw n PHE 58 Ca -0.18 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.58 2kfw n PHE 58 Cb 0.56 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.43 2kfw n PHE 58 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2kfw s ASP 59 N 0.80 -0.19 -0.18 5.98 2.15 -1.26 0.02 116.67 123.99 2kfw s ASP 59 Ca 0.00 0.45 -0.00 0.00 0.43 0.00 0.00 52.55 53.42 2kfw s ASP 59 Cb 0.00 0.34 0.04 0.00 -0.30 0.00 0.00 42.92 43.00 2kfw s ASP 59 CO 0.00 -0.16 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.09 2kfw s VAL 60 N 1.27 1.18 -0.37 1.11 1.01 -1.18 -4.99 120.40 118.43 2kfw s VAL 60 Ca -0.09 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 2kfw s VAL 60 Cb -0.11 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.92 2kfw s VAL 60 CO -0.08 0.10 1.32 0.00 0.00 0.00 0.00 175.10 176.45 2kfw s ALA 61 N 1.60 3.21 -0.29 5.51 0.00 -1.26 -3.85 121.76 126.68 2kfw s ALA 61 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 2kfw s ALA 61 Cb -0.16 -3.85 0.17 0.00 0.00 0.00 0.00 23.12 19.28 2kfw s ALA 61 CO -0.08 -2.07 0.57 0.14 0.00 0.00 0.00 175.76 174.32 2kfw s VAL 62 N 4.79 -0.93 0.00 0.00 -7.23 -0.36 -4.95 120.40 111.72 2kfw s VAL 62 Ca 0.57 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 2kfw s VAL 62 Cb -0.14 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.84 2kfw s VAL 62 CO 0.28 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 2kfw n GLY 63 N 5.42 0.19 0.16 2.32 0.00 -1.25 -4.26 105.19 107.77 2kfw n GLY 63 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.11 0.73 0.00 4.61 0.00 -1.90 -1.54 119.26 121.27 2kfw h ALA 64 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2kfw h ALA 64 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kfw h ALA 64 CO 0.00 0.16 -0.52 -0.97 0.00 0.00 0.00 179.25 177.92 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -0.73 -1.96 -3.41 115.58 109.48 2kfw h ASN 65 Ca -0.02 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.09 2kfw h ASN 65 Cb 1.10 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 39.56 2kfw h ASN 65 CO 0.01 0.43 -0.01 0.47 -0.37 0.00 0.00 177.43 177.96 2kfw n ASP 66 N -3.17 -1.21 0.07 1.15 8.00 -1.24 -5.03 116.55 115.11 2kfw n ASP 66 Ca 0.01 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.80 2kfw n ASP 66 Cb 0.71 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 42.52 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 1.40 0.66 -0.87 2.24 0.00 -0.69 -4.41 120.51 118.83 2kfw n ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kfw n ALA 67 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2kfw n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfw n TYR 68 N -2.80 0.00 -3.12 0.00 4.01 -0.67 -4.88 117.16 109.71 2kfw n TYR 68 Ca 0.00 -0.12 -0.03 0.00 -0.16 0.00 0.00 57.90 57.59 2kfw n TYR 68 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2kfw n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kfw n GLY 69 N -0.13 -0.85 3.70 2.72 0.00 -1.22 -4.75 105.19 104.65 2kfw n GLY 69 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2kfw n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfw s GLN 70 N -1.26 4.20 -0.03 1.61 -1.52 -1.26 -4.96 119.66 116.44 2kfw s GLN 70 Ca 0.03 2.34 -0.25 0.00 -1.95 0.00 0.00 55.36 55.53 2kfw s GLN 70 Cb -0.00 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.28 2kfw s GLN 70 CO 0.23 -0.70 0.78 1.52 -0.25 0.00 0.00 175.29 176.88 2kfw s TYR 71 N 2.20 3.63 -0.56 0.91 1.13 -1.26 -4.63 117.35 118.77 2kfw s TYR 71 Ca 0.73 1.41 0.07 0.00 -1.41 0.00 0.00 57.07 57.86 2kfw s TYR 71 Cb -0.41 -2.88 0.25 0.00 -1.10 0.00 0.00 41.96 37.82 2kfw s TYR 71 CO 0.32 0.10 0.68 -3.47 -2.51 0.00 0.00 175.55 170.67 2kfw n ASP 72 N 3.61 2.66 0.00 -0.18 -0.08 -1.26 -4.31 116.55 116.99 2kfw n ASP 72 Ca 0.00 -3.22 0.07 0.00 -1.51 0.00 0.00 54.79 50.13 2kfw n ASP 72 Cb 0.51 -0.66 0.32 0.00 2.34 0.00 0.00 41.12 43.63 2kfw n ASP 72 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kfw n GLU 73 N 1.01 0.13 0.28 -0.67 1.02 -1.26 -1.64 120.64 119.50 2kfw n GLU 73 Ca 0.27 0.19 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 2kfw n GLU 73 Cb 0.45 -1.50 0.81 0.00 -0.02 0.00 0.00 31.44 31.18 2kfw n GLU 73 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2kfw h ASN 74 N 0.00 0.00 0.00 1.62 -0.26 -1.93 -3.36 115.58 111.65 2kfw h ASN 74 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 2kfw h ASN 74 Cb 0.16 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.35 2kfw h ASN 74 CO 0.00 0.05 -0.15 0.00 -1.06 0.00 0.00 177.43 176.27 2kfw n LEU 75 N -3.87 -0.56 -4.38 1.61 -0.00 -1.11 -5.05 117.00 103.64 2kfw n LEU 75 Ca -0.03 -1.21 -0.45 0.00 -0.00 0.00 0.00 56.01 54.33 2kfw n LEU 75 Cb 0.14 0.07 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2kfw n LEU 75 CO 0.29 1.08 0.52 0.54 -0.00 0.00 0.00 177.39 179.82 2kfw s VAL 76 N 0.01 5.01 0.30 1.47 0.11 -0.65 -4.16 120.40 122.48 2kfw s VAL 76 Ca 0.01 -1.50 0.02 0.00 -2.93 0.00 0.00 61.98 57.58 2kfw s VAL 76 Cb 0.03 -4.54 -0.04 0.00 -1.53 0.00 0.00 36.38 30.30 2kfw s VAL 76 CO -0.01 -1.17 0.12 -1.10 -3.33 0.00 0.00 175.10 169.61 2kfw s GLN 77 N 2.03 1.55 0.06 1.54 -0.21 -1.05 -4.91 119.66 118.68 2kfw s GLN 77 Ca 0.17 -1.87 -0.21 0.00 0.02 0.00 0.00 55.36 53.46 2kfw s GLN 77 Cb -0.17 -0.26 -0.06 0.00 1.00 0.00 0.00 33.01 33.52 2kfw s GLN 77 CO -0.01 -0.37 0.64 1.03 -2.12 0.00 0.00 175.29 174.46 2kfw s ARG 78 N -3.90 4.34 -0.21 2.91 3.00 -1.26 -2.82 118.95 121.00 2kfw s ARG 78 Ca 0.36 0.85 -0.04 0.00 0.00 0.00 0.00 55.73 56.90 2kfw s ARG 78 Cb 0.06 -3.29 0.11 0.00 0.00 0.00 0.00 34.95 31.83 2kfw s ARG 78 CO 0.16 0.49 0.28 0.08 0.00 0.00 0.00 175.30 176.31 2kfw s VAL 79 N -0.68 -0.44 0.65 3.52 1.01 0.21 -4.94 120.40 119.73 2kfw s VAL 79 Ca 0.32 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 2kfw s VAL 79 Cb -0.20 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2kfw s VAL 79 CO 0.20 -0.15 1.07 -2.16 0.00 0.00 0.00 175.10 174.07 2kfw s PRO 80 N 2.42 2.98 0.30 2.72 0.04 -1.26 -2.40 135.00 139.79 2kfw s PRO 80 Ca 0.08 1.18 0.20 0.00 0.04 0.00 0.00 61.00 62.51 2kfw s PRO 80 Cb -0.15 -1.99 1.09 0.00 0.04 0.00 0.00 34.50 33.49 2kfw s PRO 80 CO -0.13 -1.08 1.62 1.63 0.04 0.00 0.00 177.00 179.08 2kfw n LYS 81 N -2.56 0.13 0.25 4.56 5.02 -1.26 -1.07 118.16 123.23 2kfw n LYS 81 Ca 0.09 0.62 0.16 0.00 -2.02 0.00 0.00 58.31 57.16 2kfw n LYS 81 Cb 0.53 -1.93 0.60 0.00 -0.02 0.00 0.00 35.03 34.21 2kfw n LYS 81 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2kfw h ASP 82 N 0.00 0.00 -0.15 4.39 3.32 -1.95 -2.92 116.42 119.11 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kfw h ASP 82 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2kfw h ASP 82 CO 0.00 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.04 2kfw n VAL 83 N -2.96 1.43 -0.04 -1.35 0.31 -0.23 -4.67 118.33 110.81 2kfw n VAL 83 Ca 0.01 -1.43 -0.15 0.00 -0.01 0.00 0.00 64.34 62.77 2kfw n VAL 83 Cb 0.33 0.20 -0.12 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.91 0.13 -4.55 3.52 -1.00 -1.47 -3.48 116.94 111.00 2kfw h PHE 84 Ca 0.00 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.70 2kfw h PHE 84 Cb 0.85 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.40 2kfw h PHE 84 CO 0.16 0.97 -0.93 -1.33 -1.61 0.00 0.00 178.31 175.57 2kfw n MET 85 N -4.55 -5.20 -1.67 1.51 2.81 -1.26 -4.84 117.12 103.92 2kfw n MET 85 Ca -0.10 3.71 -0.00 0.00 -1.81 0.00 0.00 57.70 59.49 2kfw n MET 85 Cb 0.50 -4.35 0.00 0.00 -0.71 0.00 0.00 33.22 28.67 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfw n GLY 86 N 1.92 -0.49 2.38 3.03 0.00 -1.26 -5.05 105.19 105.71 2kfw n GLY 86 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.94 -1.19 1.52 1.61 3.14 -1.26 -4.93 118.33 116.27 2kfw n VAL 87 Ca 0.00 -3.46 0.14 0.00 -2.96 0.00 0.00 64.34 58.06 2kfw n VAL 87 Cb 0.39 -1.67 0.76 0.00 -1.06 0.00 0.00 33.84 32.26 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2kfw n ASP 88 N 2.75 0.00 -3.19 6.55 5.68 -1.26 -4.67 116.55 122.41 2kfw n ASP 88 Ca 0.29 -0.46 0.05 0.00 -0.50 0.00 0.00 54.79 54.17 2kfw n ASP 88 Cb 0.48 -0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.29 2kfw n ASP 88 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2kfw s GLU 89 N -2.31 0.23 -0.82 0.11 2.12 -1.26 -5.10 118.70 111.67 2kfw s GLU 89 Ca 0.34 0.43 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 2kfw s GLU 89 Cb 0.19 0.25 0.20 0.00 0.26 0.00 0.00 34.13 35.03 2kfw s GLU 89 CO 0.38 -0.22 0.69 -1.17 -0.54 0.00 0.00 175.26 174.40 2kfw s LEU 90 N 2.84 5.62 -0.16 2.70 2.96 -1.26 -5.05 118.68 126.32 2kfw s LEU 90 Ca 0.01 -3.34 -0.06 0.00 -0.22 0.00 0.00 54.13 50.52 2kfw s LEU 90 Cb -0.10 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2kfw s LEU 90 CO -0.13 -0.29 0.04 -1.58 -1.32 0.00 0.00 176.35 173.08 2kfw s GLN 91 N -0.79 3.76 0.30 1.98 0.74 -1.26 -5.06 119.66 119.34 2kfw s GLN 91 Ca 0.23 -0.36 -0.27 0.00 0.05 0.00 0.00 55.36 55.02 2kfw s GLN 91 Cb -0.12 -3.11 -0.14 0.00 1.10 0.00 0.00 33.01 30.74 2kfw s GLN 91 CO -0.09 0.37 0.80 1.55 -0.55 0.00 0.00 175.29 177.37 2kfw n VAL 92 N 3.23 1.97 0.00 1.34 3.14 -1.26 -0.85 118.33 125.89 2kfw n VAL 92 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2kfw n VAL 92 Cb 0.53 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 2kfw n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kfw n GLY 93 N 1.51 2.50 3.70 7.55 0.00 -1.25 -5.01 105.19 114.19 2kfw n GLY 93 Ca 0.12 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2kfw n GLY 93 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2kfw n MET 94 N 0.00 1.63 -3.17 1.61 0.00 -0.03 -4.71 117.12 112.45 2kfw n MET 94 Ca 0.00 0.59 -0.39 0.00 0.00 0.00 0.00 57.70 57.90 2kfw n MET 94 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 33.22 30.75 2kfw n MET 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2kfw s ARG 95 N -2.58 4.27 0.33 2.12 0.52 -1.26 -3.97 118.95 118.37 2kfw s ARG 95 Ca 0.68 0.59 0.08 0.00 -0.52 0.00 0.00 55.73 56.56 2kfw s ARG 95 Cb -0.45 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.45 2kfw s ARG 95 CO 0.52 -0.09 0.18 0.12 0.02 0.00 0.00 175.30 176.05 2kfw s PHE 96 N 1.42 2.78 -0.25 -0.53 5.36 -1.02 -4.94 117.98 120.80 2kfw s PHE 96 Ca 0.29 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2kfw s PHE 96 Cb -0.16 -1.63 0.04 0.00 -0.34 0.00 0.00 43.02 40.93 2kfw s PHE 96 CO 0.11 0.33 -0.10 -1.17 -1.46 0.00 0.00 175.22 172.94 2kfw s LEU 97 N -3.87 3.23 0.31 6.12 0.20 -1.26 0.51 118.68 123.91 2kfw s LEU 97 Ca 0.38 -1.13 0.02 0.00 0.69 0.00 0.00 54.13 54.08 2kfw s LEU 97 Cb -0.04 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.10 2kfw s LEU 97 CO 0.24 -0.15 0.48 0.00 -0.29 0.00 0.00 176.35 176.63 2kfw s ALA 98 N 1.21 3.78 -0.12 5.97 0.00 -0.13 -4.91 121.76 127.56 2kfw s ALA 98 Ca -0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2kfw s ALA 98 Cb -0.18 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 2kfw s ALA 98 CO -0.06 0.07 0.01 -1.21 0.00 0.00 0.00 175.76 174.57 2kfw s GLU 99 N -4.20 3.32 0.22 0.00 2.02 -1.26 -1.10 118.70 117.71 2kfw s GLU 99 Ca 0.38 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.96 2kfw s GLU 99 Cb -0.09 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 2kfw s GLU 99 CO 0.34 0.53 0.09 0.95 0.02 0.00 0.00 175.26 177.18 2kfw s THR 100 N -0.39 0.39 0.59 3.63 -4.23 -0.69 -4.95 115.64 110.00 2kfw s THR 100 Ca 0.08 -1.99 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 2kfw s THR 100 Cb -0.12 -2.48 0.35 0.00 1.34 0.00 0.00 72.50 71.59 2kfw s THR 100 CO 0.02 -0.10 2.24 -2.24 -0.54 0.00 0.00 174.62 173.99 2kfw h ASP 101 N 2.53 0.00 -0.24 3.99 2.03 -2.02 0.29 116.42 123.00 2kfw h ASP 101 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2kfw h ASP 101 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2kfw h ASP 101 CO 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.80 2kfw n GLN 102 N -3.88 2.38 0.00 4.15 10.64 -1.26 -5.00 117.38 124.40 2kfw n GLN 102 Ca -0.03 -1.20 0.00 0.00 -1.83 0.00 0.00 57.00 53.94 2kfw n GLN 102 Cb 0.10 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 27.79 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 0.38 -3.14 3.75 2.61 0.00 0.09 -4.96 105.19 103.92 2kfw n GLY 103 Ca 0.11 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -0.59 4.57 -0.01 1.61 0.04 -1.26 -1.70 135.00 137.66 2kfw s PRO 104 Ca 0.00 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2kfw s PRO 104 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2kfw s PRO 104 CO 0.00 0.08 -0.04 0.08 0.04 0.00 0.00 177.00 177.17 2kfw s VAL 105 N -0.86 0.31 0.36 -0.36 1.01 -0.26 -4.92 120.40 115.68 2kfw s VAL 105 Ca 0.47 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 2kfw s VAL 105 Cb -0.33 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 2kfw s VAL 105 CO 0.41 0.10 1.11 -2.16 0.00 0.00 0.00 175.10 174.57 2kfw s PRO 106 N 0.07 4.30 0.18 2.72 0.04 -1.26 -0.95 135.00 140.09 2kfw s PRO 106 Ca -0.00 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2kfw s PRO 106 Cb -0.03 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 2kfw s PRO 106 CO -0.00 -0.08 0.11 1.33 0.04 0.00 0.00 177.00 178.39 2kfw n VAL 107 N 0.43 0.00 -4.33 -0.36 0.24 0.18 -4.14 118.33 110.36 2kfw n VAL 107 Ca 0.03 -1.15 -0.20 0.00 -2.04 0.00 0.00 64.34 60.98 2kfw n VAL 107 Cb 0.47 0.50 -0.07 0.00 -1.47 0.00 0.00 33.84 33.27 2kfw n VAL 107 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2kfw n GLU 108 N -0.37 0.46 -4.06 7.34 4.07 -1.09 -2.45 120.64 124.55 2kfw n GLU 108 Ca 0.01 -3.04 -0.32 0.00 -0.06 0.00 0.00 57.16 53.75 2kfw n GLU 108 Cb 0.29 2.17 -0.16 0.00 -0.06 0.00 0.00 31.44 33.68 2kfw n GLU 108 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2kfw s ILE 109 N -3.11 1.93 -0.05 6.31 -1.09 -1.25 -1.87 121.20 122.06 2kfw s ILE 109 Ca 0.29 -1.16 0.06 0.00 -2.23 0.00 0.00 60.65 57.61 2kfw s ILE 109 Cb 0.01 -1.92 -0.08 0.00 -1.58 0.00 0.00 42.46 38.89 2kfw s ILE 109 CO 0.21 0.24 0.05 1.07 -1.23 0.00 0.00 174.94 175.27 2kfw n THR 110 N 4.59 0.34 -3.82 2.92 5.66 -1.26 -3.83 114.28 118.89 2kfw n THR 110 Ca -0.17 -0.24 -0.12 0.00 -3.05 0.00 0.00 64.05 60.47 2kfw n THR 110 Cb 0.46 -0.60 -0.11 0.00 -1.55 0.00 0.00 70.33 68.54 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 -2.21 -0.51 -0.24 1.79 0.00 -1.26 -5.05 121.76 114.28 2kfw s ALA 111 Ca -0.03 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 2kfw s ALA 111 Cb 0.02 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.11 2kfw s ALA 111 CO 0.26 -0.17 0.10 0.08 0.00 0.00 0.00 175.76 176.02 2kfw s VAL 112 N -0.68 0.17 0.40 0.00 1.01 -1.26 -0.48 120.40 119.56 2kfw s VAL 112 Ca -0.08 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2kfw s VAL 112 Cb -0.04 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2kfw s VAL 112 CO 0.01 -0.50 0.20 -1.61 0.00 0.00 0.00 175.10 173.20 2kfw s GLU 113 N 1.99 2.30 0.38 2.72 2.02 -0.85 -4.99 118.70 122.27 2kfw s GLU 113 Ca 0.05 -1.73 -0.25 0.00 0.02 0.00 0.00 54.97 53.07 2kfw s GLU 113 Cb -0.16 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.89 2kfw s GLU 113 CO -0.22 -0.08 1.01 0.16 0.02 0.00 0.00 175.26 176.15 2kfw s ASP 114 N -3.93 6.96 0.00 -0.19 -4.77 -1.26 -3.11 116.67 110.37 2kfw s ASP 114 Ca 0.41 1.96 0.00 0.00 -3.30 0.00 0.00 52.55 51.62 2kfw s ASP 114 Cb 0.01 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2kfw s ASP 114 CO 0.23 -0.34 0.00 -0.67 0.70 0.00 0.00 175.17 175.09 2kfw n ASP 115 N 0.11 0.00 -3.63 2.11 -0.08 -1.26 -4.89 116.55 108.91 2kfw n ASP 115 Ca 0.04 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.27 2kfw n ASP 115 Cb 0.50 -0.62 -0.05 0.00 2.34 0.00 0.00 41.12 43.29 2kfw n ASP 115 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2kfw s HIS 116 N -2.68 -0.17 0.28 -0.67 -3.43 -1.18 -4.77 115.29 102.67 2kfw s HIS 116 Ca 0.00 0.33 0.05 0.00 -0.80 0.00 0.00 55.06 54.64 2kfw s HIS 116 Cb 0.00 0.47 -0.06 0.00 -1.43 0.00 0.00 32.58 31.56 2kfw s HIS 116 CO 0.00 -0.13 -0.01 0.08 -2.00 0.00 0.00 174.74 172.69 2kfw s VAL 117 N -0.64 1.36 0.14 -5.38 1.01 -1.01 -2.00 120.40 113.89 2kfw s VAL 117 Ca 0.05 -2.06 0.08 0.00 0.00 0.00 0.00 61.98 60.05 2kfw s VAL 117 Cb -0.02 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2kfw s VAL 117 CO -0.07 -0.21 -0.07 -0.69 0.00 0.00 0.00 175.10 174.05 2kfw s VAL 118 N -3.19 3.42 -0.26 2.92 1.01 0.37 0.66 120.40 125.32 2kfw s VAL 118 Ca 0.31 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 2kfw s VAL 118 Cb 0.06 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 33.85 2kfw s VAL 118 CO 0.12 -0.01 0.70 0.54 0.00 0.00 0.00 175.10 176.45 2kfw s VAL 119 N -1.48 -0.00 -0.30 2.92 0.11 -1.13 -4.07 120.40 116.46 2kfw s VAL 119 Ca 0.24 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.25 2kfw s VAL 119 Cb -0.10 -0.98 0.17 0.00 -1.53 0.00 0.00 36.38 33.94 2kfw s VAL 119 CO 0.15 0.00 0.61 1.51 -3.33 0.00 0.00 175.10 174.04 2kfw s ASP 120 N 0.53 -1.23 -0.01 3.54 -4.77 -0.78 -2.52 116.67 111.44 2kfw s ASP 120 Ca -0.01 1.10 -0.30 0.00 -3.30 0.00 0.00 52.55 50.04 2kfw s ASP 120 Cb -0.05 2.16 -0.08 0.00 -1.09 0.00 0.00 42.92 43.87 2kfw s ASP 120 CO -0.02 -0.25 1.89 -0.83 0.70 0.00 0.00 175.17 176.67 2kfw s GLY 121 N 2.86 1.42 0.07 2.12 0.00 -1.26 -2.67 107.32 109.85 2kfw s GLY 121 Ca 0.11 1.18 -0.31 0.00 0.00 0.00 0.00 44.72 45.70 2kfw s GLY 121 CO -0.20 3.37 1.89 1.16 0.00 0.00 0.00 173.10 179.32 2kfw n ASN 122 N 7.68 3.99 -2.05 1.64 6.94 -1.26 -4.82 115.26 127.38 2kfw n ASN 122 Ca 0.20 0.96 -0.00 0.00 -0.02 0.00 0.00 54.58 55.71 2kfw n ASN 122 Cb 0.42 -1.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.33 2kfw n ASN 122 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2kfw n HIS 123 N 6.40 -2.68 0.01 -2.53 8.25 0.19 -4.93 115.22 119.93 2kfw n HIS 123 Ca 0.19 -0.03 -0.18 0.00 -0.26 0.00 0.00 57.72 57.44 2kfw n HIS 123 Cb 0.37 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.35 2kfw n HIS 123 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2kfw h MET 124 N 0.00 0.32 -0.08 -0.41 2.86 -1.95 -3.25 114.93 112.43 2kfw h MET 124 Ca -0.00 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.23 2kfw h MET 124 Cb 0.02 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2kfw h MET 124 CO 0.01 1.12 0.06 1.37 1.06 0.00 0.00 176.91 180.52 2kfw h LEU 125 N -0.28 0.06 -7.41 1.22 8.10 -1.96 -3.43 115.31 111.60 2kfw h LEU 125 Ca -0.09 -0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.78 2kfw h LEU 125 Cb 1.37 -0.02 -0.22 0.00 -0.44 0.00 0.00 40.66 41.35 2kfw h LEU 125 CO 0.12 0.04 -0.26 0.00 -4.11 0.00 0.00 178.44 174.23 2kfw s ALA 126 N -5.12 -0.89 0.00 0.17 0.00 -1.22 -4.83 121.76 109.86 2kfw s ALA 126 Ca -0.05 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2kfw s ALA 126 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2kfw s ALA 126 CO 0.68 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2kfw n GLY 127 N 2.01 1.69 2.84 0.00 0.00 -1.26 -0.64 105.19 109.84 2kfw n GLY 127 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2kfw n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfw s GLN 128 N -0.06 2.00 1.00 1.61 -0.21 -1.26 -4.79 119.66 117.95 2kfw s GLN 128 Ca 0.00 -2.81 -0.20 0.00 0.02 0.00 0.00 55.36 52.37 2kfw s GLN 128 Cb 0.00 -3.05 -0.12 0.00 1.00 0.00 0.00 33.01 30.83 2kfw s GLN 128 CO 0.00 -1.22 -0.85 -1.71 -2.12 0.00 0.00 175.29 169.39 2kfw n ASN 129 N 2.65 -4.28 -3.81 5.90 5.15 -1.26 -4.68 115.26 114.93 2kfw n ASN 129 Ca 0.14 0.11 -0.12 0.00 -0.60 0.00 0.00 54.58 54.11 2kfw n ASN 129 Cb 0.35 -0.74 -0.10 0.00 -0.53 0.00 0.00 39.78 38.76 2kfw n ASN 129 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2kfw s LEU 130 N 6.17 1.18 -0.04 1.20 2.34 -1.26 -3.75 118.68 124.51 2kfw s LEU 130 Ca 0.42 0.07 0.05 0.00 0.06 0.00 0.00 54.13 54.73 2kfw s LEU 130 Cb -0.08 0.93 -0.02 0.00 -0.56 0.00 0.00 46.19 46.46 2kfw s LEU 130 CO 0.74 -0.33 -0.20 -1.59 -1.06 0.00 0.00 176.35 173.91 2kfw s LYS 131 N -1.00 2.42 -0.07 1.48 -2.85 -1.18 -1.23 119.74 117.32 2kfw s LYS 131 Ca -0.11 -0.82 -0.06 0.00 -1.00 0.00 0.00 55.97 53.98 2kfw s LYS 131 Cb -0.05 -2.23 0.02 0.00 -2.06 0.00 0.00 37.83 33.50 2kfw s LYS 131 CO 0.02 0.53 0.18 -0.59 0.10 0.00 0.00 175.35 175.59 2kfw s PHE 132 N -0.52 -0.20 0.21 1.78 -0.71 -1.25 -2.08 117.98 115.21 2kfw s PHE 132 Ca 0.07 0.48 -0.25 0.00 -1.04 0.00 0.00 56.93 56.19 2kfw s PHE 132 Cb -0.11 0.06 -0.08 0.00 -1.21 0.00 0.00 43.02 41.67 2kfw s PHE 132 CO 0.01 -0.10 0.80 -0.80 -1.34 0.00 0.00 175.22 173.79 2kfw s ASN 133 N 0.16 7.34 -0.04 1.98 -0.87 -0.97 -3.12 114.94 119.43 2kfw s ASN 133 Ca -0.01 1.66 0.05 0.00 -1.57 0.00 0.00 52.86 52.99 2kfw s ASN 133 Cb -0.02 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.25 38.70 2kfw s ASN 133 CO -0.00 0.13 -0.18 0.68 -2.57 0.00 0.00 177.10 175.16 2kfw s VAL 134 N -1.29 1.52 -0.08 1.60 -7.23 0.10 -2.48 120.40 112.55 2kfw s VAL 134 Ca 0.40 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 2kfw s VAL 134 Cb -0.22 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.44 2kfw s VAL 134 CO 0.25 0.43 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.65 2kfw s GLU 135 N -0.06 1.79 0.34 4.82 -6.30 -0.62 -0.35 118.70 118.31 2kfw s GLU 135 Ca -0.02 -0.43 -0.27 0.00 -2.50 0.00 0.00 54.97 51.75 2kfw s GLU 135 Cb -0.11 -1.51 -0.09 0.00 0.00 0.00 0.00 34.13 32.42 2kfw s GLU 135 CO 0.02 -0.01 1.07 0.54 0.02 0.00 0.00 175.26 176.90 2kfw s VAL 136 N 0.80 3.63 -0.10 3.70 0.11 -0.66 -2.34 120.40 125.54 2kfw s VAL 136 Ca -0.12 1.44 0.03 0.00 -2.93 0.00 0.00 61.98 60.40 2kfw s VAL 136 Cb -0.15 -3.84 -0.08 0.00 -1.53 0.00 0.00 36.38 30.78 2kfw s VAL 136 CO 0.02 0.19 -0.05 0.52 -3.33 0.00 0.00 175.10 172.45 2kfw n VAL 137 N 0.58 0.61 -3.51 2.04 0.31 0.79 -3.08 118.33 116.06 2kfw n VAL 137 Ca 0.02 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 2kfw n VAL 137 Cb 0.47 -0.85 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 -1.84 -0.28 3.52 0.00 -1.21 -4.70 121.76 115.04 2kfw s ALA 138 Ca -0.11 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2kfw s ALA 138 Cb 0.03 0.31 0.09 0.00 0.00 0.00 0.00 23.12 23.56 2kfw s ALA 138 CO 0.28 -0.65 0.10 0.42 0.00 0.00 0.00 175.76 175.91 2kfw s ILE 139 N -2.93 0.44 0.26 0.00 1.01 -1.25 -2.49 121.20 116.24 2kfw s ILE 139 Ca 0.04 -1.00 0.11 0.00 0.00 0.00 0.00 60.65 59.81 2kfw s ILE 139 Cb -0.01 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 2kfw s ILE 139 CO -0.08 -0.62 -0.16 -0.13 0.00 0.00 0.00 174.94 173.96 2kfw s ARG 140 N 1.85 1.81 0.04 2.79 0.52 -0.63 -4.83 118.95 120.50 2kfw s ARG 140 Ca 0.08 -1.62 -0.30 0.00 -0.52 0.00 0.00 55.73 53.36 2kfw s ARG 140 Cb -0.17 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 2kfw s ARG 140 CO -0.27 0.35 0.99 -2.00 0.02 0.00 0.00 175.30 174.40 2kfw s GLU 141 N -3.38 4.60 0.52 3.54 2.12 -1.26 0.28 118.70 125.12 2kfw s GLU 141 Ca 0.29 1.46 -0.13 0.00 0.36 0.00 0.00 54.97 56.95 2kfw s GLU 141 Cb -0.06 -3.42 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 2kfw s GLU 141 CO 0.15 0.02 0.94 0.00 -0.54 0.00 0.00 175.26 175.83 2kfw s ALA 142 N 0.66 3.16 1.07 6.30 0.00 -1.12 -4.80 121.76 127.02 2kfw s ALA 142 Ca 0.51 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 2kfw s ALA 142 Cb -0.23 -2.99 0.15 0.00 0.00 0.00 0.00 23.12 20.06 2kfw s ALA 142 CO 0.29 -0.31 0.71 0.25 0.00 0.00 0.00 175.76 176.70 2kfw n THR 143 N -1.87 0.00 -0.31 0.00 -2.24 -1.26 -4.69 114.28 103.91 2kfw n THR 143 Ca 0.05 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.38 2kfw n THR 143 Cb 0.54 -1.44 0.10 0.00 -2.10 0.00 0.00 70.33 67.43 2kfw n THR 143 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kfw h GLU 144 N 0.00 1.05 -0.29 -0.78 4.81 -1.98 -2.06 114.58 115.33 2kfw h GLU 144 Ca -0.25 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.81 2kfw h GLU 144 Cb 0.71 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2kfw h GLU 144 CO 0.17 0.69 -0.24 1.49 -0.73 0.00 0.00 179.01 180.39 2kfw h GLU 145 N 1.08 0.67 -0.74 1.92 4.81 -1.96 -0.24 114.58 120.12 2kfw h GLU 145 Ca 0.33 -0.34 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2kfw h GLU 145 Cb -0.02 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 2kfw h GLU 145 CO -0.11 0.94 0.40 0.93 -0.73 0.00 0.00 179.01 180.44 2kfw h GLU 146 N 0.41 0.67 0.00 1.92 5.08 -1.65 0.16 114.58 121.17 2kfw h GLU 146 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kfw h GLU 146 Cb 0.79 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2kfw h GLU 146 CO 0.06 0.44 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.43 2kfw h LEU 147 N 0.69 0.00 0.04 1.33 -0.00 -1.30 0.46 115.31 116.53 2kfw h LEU 147 Ca 0.35 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.22 2kfw h LEU 147 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2kfw h LEU 147 CO -0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 178.44 178.19 2kfw h ALA 148 N 2.48 -0.06 0.00 1.53 0.00 0.11 -3.20 119.26 120.12 2kfw h ALA 148 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kfw h ALA 148 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kfw h ALA 148 CO 0.00 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.87 2kfw n HIS 149 N -4.75 0.00 0.00 0.00 8.25 -0.21 -4.81 115.22 113.70 2kfw n HIS 149 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kfw n HIS 149 Cb 0.30 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 0.29 3.35 3.15 -1.41 0.00 -1.17 -4.94 105.19 104.47 2kfw n GLY 150 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2kfw n GLY 150 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 151 N -2.00 -2.02 -2.06 1.61 1.44 0.14 -3.87 115.22 108.46 2kfw n HIS 151 Ca 0.00 -1.67 -0.39 0.00 -2.01 0.00 0.00 57.72 53.65 2kfw n HIS 151 Cb 0.00 0.74 -0.00 0.00 0.12 0.00 0.00 29.99 30.84 2kfw n HIS 151 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kfw s VAL 152 N -2.33 2.64 0.00 0.61 0.11 -1.26 -4.25 120.40 115.93 2kfw s VAL 152 Ca 0.16 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 2kfw s VAL 152 Cb -0.04 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 2kfw s VAL 152 CO 0.12 0.08 0.00 1.41 -3.33 0.00 0.00 175.10 173.37 2kfw n HIS 153 N 0.09 -0.69 -4.09 1.54 8.25 -1.26 -4.89 115.22 114.16 2kfw n HIS 153 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 2kfw n HIS 153 Cb 0.44 0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.68 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 154 N 0.00 3.62 0.00 -1.41 0.00 -1.26 -4.77 105.19 101.36 2kfw n GLY 154 Ca 0.00 -2.26 0.09 0.00 0.00 0.00 0.00 46.02 43.85 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 155 N -2.42 2.52 0.16 4.61 0.00 -1.26 -3.73 120.51 120.39 2kfw n ALA 155 Ca -0.08 -0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.43 2kfw n ALA 155 Cb 0.25 -1.28 0.77 0.00 0.00 0.00 0.00 19.45 19.20 2kfw n ALA 155 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kfw h HIS 156 N 0.00 0.00 0.13 0.00 3.86 -1.98 -2.77 115.15 114.39 2kfw h HIS 156 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2kfw h HIS 156 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2kfw h HIS 156 CO 0.00 0.00 -0.06 -0.44 0.86 0.00 0.00 177.93 178.29 2kfw h ASP 157 N 0.00 -0.15 -4.18 2.45 5.19 -1.99 -3.50 116.42 114.25 2kfw h ASP 157 Ca 0.12 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2kfw h ASP 157 Cb 0.60 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2kfw h ASP 157 CO -0.00 0.39 -0.95 1.41 -3.12 0.00 0.00 179.24 176.97 2kfw n HIS 158 N -4.88 -4.71 -0.01 4.55 8.25 -1.05 -4.92 115.22 112.45 2kfw n HIS 158 Ca -0.04 2.48 0.04 0.00 -0.26 0.00 0.00 57.72 59.94 2kfw n HIS 158 Cb 0.14 -3.67 -0.08 0.00 1.12 0.00 0.00 29.99 27.50 2kfw n HIS 158 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kfw n HIS 159 N -0.20 0.00 -3.40 4.41 1.44 -1.26 -5.02 115.22 111.19 2kfw n HIS 159 Ca 0.00 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.51 2kfw n HIS 159 Cb 0.00 -0.28 0.03 0.00 0.12 0.00 0.00 29.99 29.87 2kfw n HIS 159 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kfw n HIS 160 N -1.94 -1.60 -1.40 -1.40 -0.00 -1.26 -5.12 115.22 102.49 2kfw n HIS 160 Ca -0.04 -2.02 -0.29 0.00 0.46 0.00 0.00 57.72 55.83 2kfw n HIS 160 Cb 0.36 -0.46 0.23 0.00 -0.12 0.00 0.00 29.99 30.00 2kfw n HIS 160 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2kfw n ASP 161 N -2.15 -1.17 0.00 0.26 5.75 -1.26 -4.98 116.55 113.00 2kfw n ASP 161 Ca 0.08 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 2kfw n ASP 161 Cb 0.56 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 2kfw n ASP 161 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2kfw n HIS 162 N -4.39 0.00 -2.10 2.11 -0.00 -1.26 -5.11 115.22 104.47 2kfw n HIS 162 Ca 0.15 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.91 2kfw n HIS 162 Cb 0.57 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.41 2kfw n HIS 162 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kfw s ASP 163 N -1.00 6.75 0.32 0.26 1.01 -1.26 -5.01 116.67 117.74 2kfw s ASP 163 Ca 0.00 2.27 0.08 0.00 0.71 0.00 0.00 52.55 55.61 2kfw s ASP 163 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2kfw s ASP 163 CO 0.00 -0.79 0.14 -2.28 0.21 0.00 0.00 175.17 172.45 2kfw s HIS 164 N 2.47 2.75 -0.30 4.23 2.46 -1.26 -5.12 115.29 120.53 2kfw s HIS 164 Ca 0.68 -0.33 -0.09 0.00 0.47 0.00 0.00 55.06 55.79 2kfw s HIS 164 Cb -0.35 -1.56 0.18 0.00 -0.13 0.00 0.00 32.58 30.72 2kfw s HIS 164 CO 0.29 0.38 0.93 0.34 -2.47 0.00 0.00 174.74 174.21 2kfw s ASP 165 N -3.83 -0.73 -0.34 9.88 2.15 -1.26 -5.13 116.67 117.41 2kfw s ASP 165 Ca 0.37 0.34 -0.07 0.00 0.43 0.00 0.00 52.55 53.62 2kfw s ASP 165 Cb -0.04 1.56 0.04 0.00 -0.30 0.00 0.00 42.92 44.18 2kfw s ASP 165 CO 0.23 -0.13 0.11 -0.83 -0.17 0.00 0.00 175.17 174.38 2kfw s GLY 166 N 2.93 1.85 0.00 2.66 0.00 -1.26 -4.90 107.32 108.60 2kfw s GLY 166 Ca 0.09 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.06 2kfw s GLY 166 CO -0.16 0.78 0.00 0.00 0.00 0.00 0.00 173.10 173.72 2kfw n GLY 169 N -1.06 1.45 0.00 0.00 0.00 -1.26 -4.81 105.19 99.51 2kfw n GLY 169 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2kfw n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 170 N 0.00 0.23 0.56 -0.02 0.00 -1.26 -4.96 105.19 99.74 2kfw n GLY 170 Ca 0.00 -0.45 0.37 0.00 0.00 0.00 0.00 46.02 45.95 2kfw n GLY 170 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kfw h HIS 171 N 0.00 0.00 -0.42 1.61 2.76 -2.07 -3.44 115.15 113.59 2kfw h HIS 171 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kfw h HIS 171 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2kfw h HIS 171 CO 0.00 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.04 2kfw n GLY 172 N -1.77 2.13 3.16 5.26 0.00 -1.26 -5.05 105.19 107.67 2kfw n GLY 172 Ca 0.28 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.14 1.94 -0.52 1.61 -3.43 -1.26 -5.05 115.29 106.44 2kfw s HIS 173 Ca 0.00 -0.61 0.07 0.00 -0.80 0.00 0.00 55.06 53.73 2kfw s HIS 173 Cb 0.00 -1.31 0.34 0.00 -1.43 0.00 0.00 32.58 30.18 2kfw s HIS 173 CO 0.00 -0.21 0.86 -0.25 -2.00 0.00 0.00 174.74 173.14 2kfw n ASP 174 N 3.20 3.26 0.00 7.38 9.92 -1.26 -4.84 116.55 134.21 2kfw n ASP 174 Ca -0.18 -3.45 0.07 0.00 -0.53 0.00 0.00 54.79 50.70 2kfw n ASP 174 Cb 0.53 -0.59 0.44 0.00 -0.64 0.00 0.00 41.12 40.86 2kfw n ASP 174 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kfw n HIS 175 N -0.00 0.00 0.00 1.24 1.44 -1.26 -4.71 115.22 111.92 2kfw n HIS 175 Ca 0.29 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.00 2kfw n HIS 175 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kfw n GLY 176 N 0.66 1.14 3.45 -1.39 0.00 -1.26 -5.01 105.19 102.78 2kfw n GLY 176 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2kfw n GLY 176 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 177 N -0.30 3.03 -0.16 1.61 5.65 -1.26 -5.01 115.29 118.86 2kfw s HIS 177 Ca 0.00 -0.46 -0.29 0.00 0.25 0.00 0.00 55.06 54.56 2kfw s HIS 177 Cb 0.00 -2.07 0.11 0.00 -1.18 0.00 0.00 32.58 29.44 2kfw s HIS 177 CO 0.00 -0.23 0.92 -1.83 -0.65 0.00 0.00 174.74 172.95 2kfw s GLU 178 N 0.95 0.69 -0.73 2.88 -1.05 -1.26 -4.72 118.70 115.46 2kfw s GLU 178 Ca 0.01 0.28 -0.26 0.00 -0.15 0.00 0.00 54.97 54.86 2kfw s GLU 178 Cb -0.14 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.86 2kfw s GLU 178 CO 0.02 -0.19 1.80 -1.01 0.95 0.00 0.00 175.26 176.83 2kfw s HIS 179 N -0.84 1.82 0.00 4.83 3.76 -1.26 -4.42 115.29 119.17 2kfw s HIS 179 Ca -0.03 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 2kfw s HIS 179 Cb -0.01 -4.17 0.00 0.00 1.11 0.00 0.00 32.58 29.51 2kfw s HIS 179 CO 0.02 -2.10 0.00 0.41 -0.85 0.00 0.00 174.74 172.22 2kfw n GLY 180 N 6.08 -1.71 4.03 -2.22 0.00 -1.26 -5.15 105.19 104.95 2kfw n GLY 180 Ca 0.25 0.74 -0.20 0.00 0.00 0.00 0.00 46.02 46.81 2kfw n GLY 180 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 181 N 0.00 1.76 -0.09 -0.02 0.00 -1.26 -5.12 107.32 102.59 2kfw s GLY 181 Ca 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 44.72 42.66 2kfw s GLY 181 CO 0.00 -1.58 0.19 -0.54 0.00 0.00 0.00 173.10 171.18 2kfw s GLU 182 N -4.70 0.12 0.00 2.90 0.41 -1.26 -4.87 118.70 111.31 2kfw s GLU 182 Ca 0.62 0.51 0.00 0.00 -0.41 0.00 0.00 54.97 55.68 2kfw s GLU 182 Cb -0.06 -0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.13 2kfw s GLU 182 CO 0.39 -0.21 0.00 0.41 -0.49 0.00 0.00 175.26 175.36 2kfw n GLY 183 N 4.58 0.29 3.29 -1.39 0.00 -1.26 -4.96 105.19 105.73 2kfw n GLY 183 Ca -0.19 -1.86 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.59 5.70 3.72 0.00 0.00 -1.26 -4.98 105.19 106.78 2kfw n GLY 186 Ca -0.10 -2.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.02 2kfw n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 187 N -1.54 1.98 0.00 -0.02 0.00 -1.26 -5.00 107.32 101.49 2kfw s GLY 187 Ca 0.49 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2kfw s GLY 187 CO -0.33 -0.12 0.00 0.28 0.00 0.00 0.00 173.10 172.94 2kfw n LYS 188 N 2.97 0.00 -0.56 2.90 5.02 -1.26 -4.62 118.16 122.62 2kfw n LYS 188 Ca -0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.99 2kfw n LYS 188 Cb 0.53 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.64 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kfw n GLY 189 N 0.00 -2.21 3.55 0.72 0.00 -1.26 -5.09 105.19 100.90 2kfw n GLY 189 Ca 0.00 -1.53 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 2kfw n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kfw s ASN 190 N -2.87 -0.57 0.00 1.61 3.04 -1.26 -5.04 114.94 109.85 2kfw s ASN 190 Ca 0.31 0.68 0.00 0.00 0.04 0.00 0.00 52.86 53.89 2kfw s ASN 190 Cb -0.02 0.54 0.00 0.00 -1.54 0.00 0.00 41.25 40.23 2kfw s ASN 190 CO 0.23 -0.49 0.00 0.61 -3.04 0.00 0.00 177.10 174.41 2kfw n GLY 191 N 1.02 3.23 0.84 1.21 0.00 -1.26 -5.02 105.19 105.22 2kfw n GLY 191 Ca -0.16 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 3.42 0.00 -0.02 0.00 -1.26 -4.97 105.19 102.36 2kfw n GLY 192 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.04 1.38 2.68 0.00 0.00 -1.26 -5.10 105.19 102.85 2kfw n GLY 194 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32