#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 0.60 -2.42 2.12 2.85 -1.26 -4.96 118.16 115.09 2kfw n LYS 2 Ca 0.00 -1.20 -0.32 0.00 -1.05 0.00 0.00 58.31 55.74 2kfw n LYS 2 Cb 0.00 1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 35.86 2kfw n LYS 2 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2kfw s VAL 3 N -2.45 4.58 0.17 0.58 0.11 -1.26 -4.96 120.40 117.16 2kfw s VAL 3 Ca 0.10 1.12 -0.21 0.00 -2.93 0.00 0.00 61.98 60.06 2kfw s VAL 3 Cb -0.03 -3.73 0.05 0.00 -1.53 0.00 0.00 36.38 31.14 2kfw s VAL 3 CO 0.06 -0.70 0.56 0.00 -3.33 0.00 0.00 175.10 171.69 2kfw s ALA 4 N -2.63 -1.32 -0.49 1.54 0.00 -1.26 -4.20 121.76 113.39 2kfw s ALA 4 Ca 0.58 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 2kfw s ALA 4 Cb -0.10 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.78 2kfw s ALA 4 CO 0.33 -0.78 1.65 1.17 0.00 0.00 0.00 175.76 178.13 2kfw n LYS 5 N -0.35 1.09 0.00 0.00 0.00 -1.26 -2.64 118.16 114.99 2kfw n LYS 5 Ca -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 58.31 57.03 2kfw n LYS 5 Cb 0.64 -2.36 0.00 0.00 0.00 0.00 0.00 35.03 33.30 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kfw n ASP 6 N 5.40 0.00 -3.72 3.14 8.00 -1.26 -5.02 116.55 123.08 2kfw n ASP 6 Ca 0.30 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.68 2kfw n ASP 6 Cb 0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 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 0.00 0.30 0.22 0.64 1.02 -1.08 -3.94 118.68 115.84 2kfw s LEU 7 Ca 0.00 0.76 -0.30 0.00 0.02 0.00 0.00 54.13 54.61 2kfw s LEU 7 Cb 0.00 1.21 -0.09 0.00 0.02 0.00 0.00 46.19 47.33 2kfw s LEU 7 CO 0.00 -0.16 1.36 0.68 0.02 0.00 0.00 176.35 178.25 2kfw s VAL 8 N 0.82 2.99 -0.15 -1.59 -7.23 0.65 -3.66 120.40 112.24 2kfw s VAL 8 Ca -0.05 0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 60.93 2kfw s VAL 8 Cb -0.06 -3.53 0.05 0.00 0.56 0.00 0.00 36.38 33.40 2kfw s VAL 8 CO -0.06 0.13 0.01 0.68 -0.31 0.00 0.00 175.10 175.54 2kfw s VAL 9 N 0.04 0.60 -0.26 1.32 -7.23 -1.03 -1.10 120.40 112.74 2kfw s VAL 9 Ca 0.57 -0.36 -0.14 0.00 -1.81 0.00 0.00 61.98 60.25 2kfw s VAL 9 Cb -0.39 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2kfw s VAL 9 CO 0.40 0.01 0.33 -0.94 -0.31 0.00 0.00 175.10 174.60 2kfw s SER 10 N 1.85 6.22 -0.12 4.85 1.04 -1.05 -3.10 113.70 123.39 2kfw s SER 10 Ca 0.01 0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.63 2kfw s SER 10 Cb -0.15 -2.19 0.05 0.00 0.10 0.00 0.00 66.02 63.83 2kfw s SER 10 CO -0.07 -0.13 0.27 -1.48 0.98 0.00 0.00 173.24 172.81 2kfw s LEU 11 N 1.88 0.33 0.20 2.42 0.05 -1.25 0.25 118.68 122.56 2kfw s LEU 11 Ca 0.14 0.59 -0.00 0.00 0.05 0.00 0.00 54.13 54.90 2kfw s LEU 11 Cb -0.16 0.84 -0.04 0.00 -2.05 0.00 0.00 46.19 44.78 2kfw s LEU 11 CO 0.10 -0.17 0.39 0.00 -0.55 0.00 0.00 176.35 176.11 2kfw s ALA 12 N 1.28 3.84 -0.18 1.48 0.00 -0.68 -3.57 121.76 123.94 2kfw s ALA 12 Ca -0.09 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 2kfw s ALA 12 Cb -0.10 -1.97 0.06 0.00 0.00 0.00 0.00 23.12 21.11 2kfw s ALA 12 CO -0.09 0.41 0.58 1.52 0.00 0.00 0.00 175.76 178.19 2kfw s TYR 13 N -1.88 -0.62 -0.06 0.00 1.13 -1.25 -0.19 117.35 114.47 2kfw s TYR 13 Ca 0.38 1.42 -0.07 0.00 -1.41 0.00 0.00 57.07 57.39 2kfw s TYR 13 Cb -0.11 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.95 2kfw s TYR 13 CO 0.29 -0.36 0.21 -1.14 -2.51 0.00 0.00 175.55 172.04 2kfw s GLN 14 N -0.03 3.53 -0.02 -3.49 0.74 -0.58 -1.38 119.66 118.43 2kfw s GLN 14 Ca -0.03 -0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.33 2kfw s GLN 14 Cb -0.04 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 2kfw s GLN 14 CO 0.02 0.73 -0.08 0.08 -0.55 0.00 0.00 175.29 175.49 2kfw s VAL 15 N -1.14 3.57 -0.12 1.34 1.01 0.39 -1.91 120.40 123.55 2kfw s VAL 15 Ca 0.21 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 2kfw s VAL 15 Cb -0.13 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.78 2kfw s VAL 15 CO 0.10 0.48 0.41 -0.60 0.00 0.00 0.00 175.10 175.48 2kfw s ARG 16 N -1.15 0.55 0.10 2.72 3.52 -0.48 -3.11 118.95 121.10 2kfw s ARG 16 Ca 0.15 0.41 0.02 0.00 -0.13 0.00 0.00 55.73 56.18 2kfw s ARG 16 Cb -0.11 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2kfw s ARG 16 CO 0.05 -0.10 0.19 0.95 -0.81 0.00 0.00 175.30 175.58 2kfw s THR 17 N -0.16 5.07 0.52 4.11 -4.23 0.36 -2.95 115.64 118.36 2kfw s THR 17 Ca -0.03 -0.64 0.25 0.00 -1.18 0.00 0.00 61.69 60.09 2kfw s THR 17 Cb -0.03 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.54 2kfw s THR 17 CO 0.02 0.04 1.76 -0.08 -0.54 0.00 0.00 174.62 175.82 2kfw h GLU 18 N 2.78 0.00 0.00 3.99 4.81 -1.88 0.41 114.58 124.69 2kfw h GLU 18 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2kfw h GLU 18 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kfw h GLU 18 CO 0.70 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.73 2kfw n ASP 19 N -2.70 0.00 -0.45 1.04 9.92 -1.26 -4.82 116.55 118.29 2kfw n ASP 19 Ca -0.02 -1.37 -0.04 0.00 -0.53 0.00 0.00 54.79 52.83 2kfw n ASP 19 Cb 0.38 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.86 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kfw n GLY 20 N 0.52 0.23 3.38 0.44 0.00 0.14 -5.04 105.19 104.85 2kfw n GLY 20 Ca 0.09 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.20 2.16 -0.12 1.61 1.01 -1.18 -4.92 120.40 116.77 2kfw s VAL 21 Ca 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 61.98 60.13 2kfw s VAL 21 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2kfw s VAL 21 CO 0.00 -0.02 0.03 -1.48 0.00 0.00 0.00 175.10 173.63 2kfw s LEU 22 N -2.25 3.74 -0.05 3.92 0.05 -1.26 0.13 118.68 122.96 2kfw s LEU 22 Ca 0.15 0.16 0.18 0.00 0.05 0.00 0.00 54.13 54.67 2kfw s LEU 22 Cb -0.09 -1.89 -0.27 0.00 -2.05 0.00 0.00 46.19 41.89 2kfw s LEU 22 CO 0.07 0.32 0.33 0.52 -0.55 0.00 0.00 176.35 177.04 2kfw n VAL 23 N 2.53 0.23 -3.63 1.48 0.31 -1.18 -4.95 118.33 113.12 2kfw n VAL 23 Ca -0.18 -0.47 -0.04 0.00 -0.01 0.00 0.00 64.34 63.63 2kfw n VAL 23 Cb 0.53 -0.04 -0.04 0.00 -0.91 0.00 0.00 33.84 33.38 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 -4.28 -0.12 -0.15 4.52 1.01 -1.26 -5.01 116.67 111.38 2kfw s ASP 24 Ca -0.07 0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.25 2kfw s ASP 24 Cb 0.10 0.10 0.06 0.00 1.01 0.00 0.00 42.92 44.20 2kfw s ASP 24 CO 0.74 -0.11 0.33 -0.70 0.21 0.00 0.00 175.17 175.64 2kfw s GLU 25 N -1.07 0.26 -0.16 8.23 2.12 -1.26 0.15 118.70 126.96 2kfw s GLU 25 Ca 0.06 0.76 -0.12 0.00 0.36 0.00 0.00 54.97 56.03 2kfw s GLU 25 Cb -0.01 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 2kfw s GLU 25 CO -0.05 -0.21 0.24 -1.54 -0.54 0.00 0.00 175.26 173.15 2kfw s SER 26 N 1.90 6.38 0.42 -1.70 1.04 -0.48 -4.96 113.70 116.30 2kfw s SER 26 Ca -0.05 0.44 -0.24 0.00 0.48 0.00 0.00 55.95 56.58 2kfw s SER 26 Cb -0.11 -2.15 -0.08 0.00 0.10 0.00 0.00 66.02 63.78 2kfw s SER 26 CO -0.10 0.15 1.10 -2.16 0.98 0.00 0.00 173.24 173.20 2kfw s PRO 27 N 0.29 4.03 0.53 4.02 0.04 -1.26 -3.96 135.00 138.69 2kfw s PRO 27 Ca 0.14 1.62 0.30 0.00 0.04 0.00 0.00 61.00 63.10 2kfw s PRO 27 Cb -0.12 -2.52 1.43 0.00 0.04 0.00 0.00 34.50 33.33 2kfw s PRO 27 CO 0.02 -0.28 2.04 -0.24 0.04 0.00 0.00 177.00 178.58 2kfw h VAL 28 N 2.11 0.38 -0.00 -0.36 3.04 -1.97 -1.65 116.25 117.80 2kfw h VAL 28 Ca -0.49 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 2kfw h VAL 28 Cb 1.23 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2kfw h VAL 28 CO 0.62 0.10 -0.16 -1.20 -1.01 0.00 0.00 177.57 175.92 2kfw n SER 29 N -3.40 0.40 -3.10 3.17 7.64 -1.26 -4.27 113.62 112.80 2kfw n SER 29 Ca -0.01 -0.32 -0.19 0.00 1.01 0.00 0.00 58.87 59.36 2kfw n SER 29 Cb 0.27 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.15 1.59 -1.55 -0.43 0.00 -0.63 -5.12 120.51 113.23 2kfw n ALA 30 Ca 0.11 -3.00 -0.32 0.00 0.00 0.00 0.00 53.44 50.23 2kfw n ALA 30 Cb 0.30 -0.93 0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.14 2.95 -0.81 0.00 0.04 -1.19 -4.29 135.00 130.56 2kfw s PRO 31 Ca 0.35 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.35 2kfw s PRO 31 Cb 0.23 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.88 2kfw s PRO 31 CO -0.12 -1.10 1.09 -0.51 0.04 0.00 0.00 177.00 176.40 2kfw s LEU 32 N -5.06 4.52 -0.13 -3.56 1.02 -1.23 -4.75 118.68 109.48 2kfw s LEU 32 Ca 0.62 -1.44 -0.27 0.00 0.02 0.00 0.00 54.13 53.07 2kfw s LEU 32 Cb -0.16 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.60 2kfw s LEU 32 CO 0.45 -1.31 0.88 1.51 0.02 0.00 0.00 176.35 177.90 2kfw s ASP 33 N 3.80 7.06 0.25 2.29 -4.77 -1.26 -3.84 116.67 120.21 2kfw s ASP 33 Ca 0.29 1.31 -0.20 0.00 -3.30 0.00 0.00 52.55 50.64 2kfw s ASP 33 Cb -0.10 -2.49 0.03 0.00 -1.09 0.00 0.00 42.92 39.27 2kfw s ASP 33 CO 0.00 -0.39 0.67 -0.31 0.70 0.00 0.00 175.17 175.84 2kfw s TYR 34 N 1.95 -0.20 -0.25 2.11 2.02 -1.18 -4.84 117.35 116.97 2kfw s TYR 34 Ca 0.42 -0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.62 2kfw s TYR 34 Cb -0.17 0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 41.98 2kfw s TYR 34 CO 0.15 -1.13 1.75 -1.17 -1.57 0.00 0.00 175.55 173.57 2kfw s LEU 35 N -2.90 3.75 0.37 -1.29 2.96 -1.26 -2.46 118.68 117.85 2kfw s LEU 35 Ca 0.10 1.58 -0.28 0.00 -0.22 0.00 0.00 54.13 55.32 2kfw s LEU 35 Cb -0.04 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 2kfw s LEU 35 CO 0.03 -1.46 1.38 -2.28 -1.32 0.00 0.00 176.35 172.70 2kfw s HIS 36 N 6.00 2.79 0.00 5.38 5.65 -1.24 -2.59 115.29 131.28 2kfw s HIS 36 Ca 0.78 1.31 0.00 0.00 0.25 0.00 0.00 55.06 57.40 2kfw s HIS 36 Cb -0.26 -3.82 0.00 0.00 -1.18 0.00 0.00 32.58 27.32 2kfw s HIS 36 CO 0.32 -2.40 0.00 0.41 -0.65 0.00 0.00 174.74 172.42 2kfw n GLY 37 N 0.63 2.06 2.68 1.59 0.00 -1.26 -4.42 105.19 106.48 2kfw n GLY 37 Ca 0.02 -0.30 -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 0.00 2.02 0.17 1.61 0.00 -1.17 -4.90 115.29 113.02 2kfw s HIS 38 Ca 0.00 -2.50 0.00 0.00 -3.00 0.00 0.00 55.06 49.56 2kfw s HIS 38 Cb 0.00 -1.82 0.00 0.00 -4.00 0.00 0.00 32.58 26.76 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 3.26 -1.53 0.00 -1.38 0.00 -1.07 -4.53 105.19 99.94 2kfw n GLY 39 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfw n SER 40 N -2.87 0.00 -1.67 1.61 3.41 -1.26 -4.95 113.62 107.89 2kfw n SER 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kfw n SER 40 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kfw n LEU 41 N 0.00 0.00 -4.47 1.04 4.77 -1.26 -5.15 117.00 111.93 2kfw n LEU 41 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2kfw n LEU 41 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2kfw n LEU 41 CO 0.00 -0.10 -0.50 -0.63 -1.33 0.00 0.00 177.39 174.84 2kfw s ILE 42 N -0.24 2.79 0.22 -0.08 1.01 -1.26 -4.95 121.20 118.69 2kfw s ILE 42 Ca 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 60.65 59.16 2kfw s ILE 42 Cb 0.00 -2.24 0.20 0.00 0.01 0.00 0.00 42.46 40.44 2kfw s ILE 42 CO 0.00 0.19 1.67 0.28 0.00 0.00 0.00 174.94 177.09 2kfw h SER 43 N 4.05 -0.16 -0.62 3.58 0.02 -1.97 0.50 113.55 118.95 2kfw h SER 43 Ca -0.49 0.15 0.14 0.00 -0.84 0.00 0.00 61.79 60.74 2kfw h SER 43 Cb 1.16 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 2kfw h SER 43 CO 0.46 -0.08 0.42 1.23 -1.14 0.00 0.00 176.83 177.73 2kfw h GLY 44 N 0.18 0.36 0.00 -3.77 0.00 -1.93 -0.71 103.07 97.20 2kfw h GLY 44 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2kfw h GLY 44 CO -0.51 0.04 -0.20 -2.00 0.00 0.00 0.00 176.54 173.87 2kfw h LEU 45 N 0.22 0.00 -0.90 3.11 6.46 -0.48 -3.32 115.31 120.41 2kfw h LEU 45 Ca 0.30 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 58.27 2kfw h LEU 45 Cb 0.85 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.62 2kfw h LEU 45 CO -0.06 0.41 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.77 2kfw h GLU 46 N -0.61 0.03 -1.00 1.25 5.08 -0.52 0.78 114.58 119.59 2kfw h GLU 46 Ca 0.00 -0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 2kfw h GLU 46 Cb 0.20 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 2kfw h GLU 46 CO 0.00 0.02 0.62 1.15 -1.00 0.00 0.00 179.01 179.80 2kfw h THR 47 N 0.03 0.75 0.00 1.13 2.02 -1.30 0.42 112.91 115.95 2kfw h THR 47 Ca 0.49 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 2kfw h THR 47 Cb 0.90 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2kfw h THR 47 CO -0.86 0.15 -0.13 0.00 0.37 0.00 0.00 175.52 175.04 2kfw h ALA 48 N 1.63 1.19 0.13 6.16 0.00 0.48 -2.73 119.26 126.12 2kfw h ALA 48 Ca 0.56 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 55.07 2kfw h ALA 48 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kfw h ALA 48 CO -0.36 0.16 -1.30 1.25 0.00 0.00 0.00 179.25 179.01 2kfw h LEU 49 N 0.00 0.44 -9.26 0.00 6.46 0.11 -3.43 115.31 109.63 2kfw h LEU 49 Ca -0.00 -0.49 -0.68 0.00 -0.12 0.00 0.00 57.88 56.59 2kfw h LEU 49 Cb 0.42 -0.14 0.05 0.00 -0.73 0.00 0.00 40.66 40.26 2kfw h LEU 49 CO 0.02 1.39 0.44 1.21 -0.62 0.00 0.00 178.44 180.87 2kfw n GLU 50 N -3.53 1.11 -3.62 1.25 2.13 -0.79 -2.32 120.64 114.86 2kfw n GLU 50 Ca -0.10 0.40 -0.20 0.00 0.66 0.00 0.00 57.16 57.92 2kfw n GLU 50 Cb 1.03 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.71 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfw n GLY 51 N 2.48 -1.24 0.00 8.31 0.00 -1.26 -4.95 105.19 108.54 2kfw n GLY 51 Ca 0.18 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.33 0.00 -3.62 1.61 -0.00 -0.98 -5.00 115.22 104.90 2kfw n HIS 52 Ca -0.24 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 57.90 2kfw n HIS 52 Cb 0.65 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.46 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 3.61 0.49 -0.26 1.57 2.56 -1.26 -4.98 118.70 120.43 2kfw s GLU 53 Ca 0.00 0.90 -0.27 0.00 0.00 0.00 0.00 54.97 55.60 2kfw s GLU 53 Cb 0.00 0.18 0.01 0.00 2.00 0.00 0.00 34.13 36.32 2kfw s GLU 53 CO 0.00 -0.11 0.97 0.14 -0.56 0.00 0.00 175.26 175.70 2kfw s VAL 54 N 1.64 4.69 0.00 3.70 -7.23 -1.26 -3.21 120.40 118.73 2kfw s VAL 54 Ca -0.09 1.78 0.00 0.00 -1.81 0.00 0.00 61.98 61.86 2kfw s VAL 54 Cb -0.05 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.62 2kfw s VAL 54 CO -0.17 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 2kfw n GLY 55 N 3.62 0.84 3.54 2.32 0.00 -1.13 -5.02 105.19 109.36 2kfw n GLY 55 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2kfw n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfw s ASP 56 N -1.87 3.21 0.16 1.61 2.15 -1.20 -5.01 116.67 115.73 2kfw s ASP 56 Ca 0.00 -1.35 0.07 0.00 0.43 0.00 0.00 52.55 51.70 2kfw s ASP 56 Cb 0.00 -0.26 -0.04 0.00 -0.30 0.00 0.00 42.92 42.32 2kfw s ASP 56 CO 0.00 -0.48 -0.14 -1.59 -0.17 0.00 0.00 175.17 172.78 2kfw s LYS 57 N -3.77 1.18 -0.05 4.34 -2.85 -1.26 -2.92 119.74 114.41 2kfw s LYS 57 Ca 0.35 -1.43 -0.14 0.00 -1.00 0.00 0.00 55.97 53.76 2kfw s LYS 57 Cb 0.09 -1.01 0.03 0.00 -2.06 0.00 0.00 37.83 34.87 2kfw s LYS 57 CO 0.16 0.18 0.31 0.12 0.10 0.00 0.00 175.35 176.23 2kfw s PHE 58 N -2.61 -0.24 0.13 1.78 5.36 0.82 -4.96 117.98 118.27 2kfw s PHE 58 Ca 0.16 0.47 -0.24 0.00 -0.96 0.00 0.00 56.93 56.36 2kfw s PHE 58 Cb -0.02 0.10 -0.07 0.00 -0.34 0.00 0.00 43.02 42.68 2kfw s PHE 58 CO 0.05 -0.32 0.73 0.34 -1.46 0.00 0.00 175.22 174.55 2kfw s ASP 59 N -0.83 7.30 -0.11 6.13 2.15 -1.26 0.31 116.67 130.35 2kfw s ASP 59 Ca -0.09 1.54 -0.06 0.00 0.43 0.00 0.00 52.55 54.37 2kfw s ASP 59 Cb -0.04 -2.46 0.05 0.00 -0.30 0.00 0.00 42.92 40.16 2kfw s ASP 59 CO 0.03 0.21 0.27 -0.69 -0.17 0.00 0.00 175.17 174.82 2kfw s VAL 60 N -1.05 -0.03 -0.24 1.11 1.01 -1.01 -4.91 120.40 115.28 2kfw s VAL 60 Ca 0.34 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 2kfw s VAL 60 Cb -0.22 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2kfw s VAL 60 CO 0.24 0.05 0.06 0.00 0.00 0.00 0.00 175.10 175.46 2kfw s ALA 61 N 1.17 3.15 -0.07 5.51 0.00 -1.26 -1.15 121.76 129.12 2kfw s ALA 61 Ca -0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 2kfw s ALA 61 Cb -0.09 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 21.01 2kfw s ALA 61 CO -0.08 -0.46 0.05 0.54 0.00 0.00 0.00 175.76 175.80 2kfw s VAL 62 N 1.56 0.05 0.00 0.00 0.11 0.45 -4.84 120.40 117.73 2kfw s VAL 62 Ca 0.06 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2kfw s VAL 62 Cb -0.15 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2kfw s VAL 62 CO 0.03 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 2kfw n GLY 63 N 5.25 -1.94 0.09 6.54 0.00 -1.26 -3.70 105.19 110.16 2kfw n GLY 63 Ca -0.05 0.56 0.01 0.00 0.00 0.00 0.00 46.02 46.54 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 64 N -1.46 2.00 0.65 4.61 0.00 -0.84 0.32 120.51 125.79 2kfw n ALA 64 Ca 0.00 -0.61 0.13 0.00 0.00 0.00 0.00 53.44 52.96 2kfw n ALA 64 Cb 0.00 -0.86 0.39 0.00 0.00 0.00 0.00 19.45 18.98 2kfw n ALA 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kfw n ASN 65 N -2.80 0.74 0.00 0.00 4.05 -1.26 -4.66 115.26 111.33 2kfw n ASN 65 Ca -0.11 0.51 0.00 0.00 0.45 0.00 0.00 54.58 55.43 2kfw n ASN 65 Cb 0.83 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 41.18 2kfw n ASN 65 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2kfw n ASP 66 N -2.19 0.00 0.00 1.20 2.03 -1.25 -4.95 116.55 111.39 2kfw n ASP 66 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2kfw n ASP 66 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw n ALA 67 N 0.00 0.00 -2.32 -1.67 0.00 -1.01 -3.59 120.51 111.91 2kfw n ALA 67 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2kfw n ALA 67 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.46 3.23 -3.02 0.00 0.18 -1.16 -4.72 117.16 112.12 2kfw n TYR 68 Ca 0.00 -2.82 -0.16 0.00 1.88 0.00 0.00 57.90 56.80 2kfw n TYR 68 Cb 0.00 -0.72 -0.01 0.00 -0.38 0.00 0.00 39.34 38.23 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 -0.43 3.21 2.85 -7.48 0.00 0.15 -4.89 105.19 98.60 2kfw n GLY 69 Ca 0.45 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 2kfw n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfw s GLN 70 N -2.69 0.32 0.33 1.61 -0.44 -1.26 0.22 119.66 117.76 2kfw s GLN 70 Ca 0.37 0.27 -0.25 0.00 -2.50 0.00 0.00 55.36 53.25 2kfw s GLN 70 Cb 0.38 -0.63 -0.15 0.00 -1.64 0.00 0.00 33.01 30.96 2kfw s GLN 70 CO -0.05 -0.79 0.48 2.48 0.50 0.00 0.00 175.29 177.91 2kfw n TYR 71 N 5.34 -0.68 -1.95 1.67 0.18 -1.26 -4.72 117.16 115.75 2kfw n TYR 71 Ca -0.03 0.74 -0.42 0.00 1.88 0.00 0.00 57.90 60.07 2kfw n TYR 71 Cb 0.49 -1.96 0.00 0.00 -0.38 0.00 0.00 39.34 37.49 2kfw n TYR 71 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2kfw n ASP 72 N 1.77 4.40 0.00 9.48 8.00 -1.26 -4.68 116.55 134.25 2kfw n ASP 72 Ca 0.13 -2.94 0.04 0.00 0.71 0.00 0.00 54.79 52.73 2kfw n ASP 72 Cb 0.34 -1.59 0.17 0.00 -0.02 0.00 0.00 41.12 40.02 2kfw n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kfw n GLU 73 N 5.21 0.02 0.08 -1.24 -0.58 -1.26 -2.51 120.64 120.35 2kfw n GLU 73 Ca 0.48 0.35 0.18 0.00 -0.42 0.00 0.00 57.16 57.74 2kfw n GLU 73 Cb 0.38 -1.50 0.71 0.00 -0.57 0.00 0.00 31.44 30.46 2kfw n GLU 73 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 2kfw h ASN 74 N 0.00 0.00 0.00 1.62 -1.07 -1.99 -3.44 115.58 110.71 2kfw h ASN 74 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2kfw h ASN 74 Cb 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.37 2kfw h ASN 74 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 2kfw n LEU 75 N -4.24 0.00 -3.92 6.14 -0.00 -1.05 -5.15 117.00 108.78 2kfw n LEU 75 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.98 2kfw n LEU 75 Cb 0.49 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.82 2kfw n LEU 75 CO 0.34 0.00 -0.20 0.54 -0.00 0.00 0.00 177.39 178.07 2kfw s VAL 76 N 0.00 0.14 -0.06 1.47 0.11 -1.20 -4.88 120.40 115.98 2kfw s VAL 76 Ca 0.00 -1.13 -0.03 0.00 -2.93 0.00 0.00 61.98 57.89 2kfw s VAL 76 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2kfw s VAL 76 CO 0.00 -0.63 0.10 -1.58 -3.33 0.00 0.00 175.10 169.66 2kfw s GLN 77 N -2.85 3.21 0.02 1.54 0.74 -1.13 -4.51 119.66 116.68 2kfw s GLN 77 Ca -0.03 -0.34 -0.20 0.00 0.05 0.00 0.00 55.36 54.84 2kfw s GLN 77 Cb 0.00 -2.98 -0.06 0.00 1.10 0.00 0.00 33.01 31.08 2kfw s GLN 77 CO -0.06 0.70 0.59 1.03 -0.55 0.00 0.00 175.29 177.01 2kfw s ARG 78 N -1.36 4.29 -0.30 1.67 0.52 -1.26 -2.88 118.95 119.63 2kfw s ARG 78 Ca 0.19 0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 56.02 2kfw s ARG 78 Cb -0.12 -3.31 0.14 0.00 0.52 0.00 0.00 34.95 32.18 2kfw s ARG 78 CO 0.09 0.44 0.76 0.54 0.02 0.00 0.00 175.30 177.15 2kfw s VAL 79 N -0.43 -0.81 0.77 3.52 0.11 -0.71 -4.99 120.40 117.86 2kfw s VAL 79 Ca 0.30 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 2kfw s VAL 79 Cb -0.19 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.72 2kfw s VAL 79 CO 0.18 0.00 1.08 -2.16 -3.33 0.00 0.00 175.10 170.87 2kfw s PRO 80 N 2.72 2.28 0.00 1.54 0.04 -1.26 -2.47 135.00 137.85 2kfw s PRO 80 Ca -0.05 0.88 0.17 0.00 0.04 0.00 0.00 61.00 62.04 2kfw s PRO 80 Cb -0.10 -1.92 0.88 0.00 0.04 0.00 0.00 34.50 33.40 2kfw s PRO 80 CO -0.19 -1.55 1.51 0.36 0.04 0.00 0.00 177.00 177.18 2kfw n LYS 81 N -3.42 0.26 0.27 4.56 0.00 -1.26 -3.34 118.16 115.23 2kfw n LYS 81 Ca 0.08 0.12 0.14 0.00 -0.00 0.00 0.00 58.31 58.64 2kfw n LYS 81 Cb 0.54 -1.50 0.64 0.00 -0.00 0.00 0.00 35.03 34.72 2kfw n LYS 81 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kfw h ASP 82 N 0.00 0.00 -0.34 -5.58 3.58 -1.95 1.34 116.42 113.47 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 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kfw h ASP 82 CO 0.00 0.00 0.00 0.52 -2.88 0.00 0.00 179.24 176.88 2kfw n VAL 83 N -2.96 0.47 1.18 2.25 0.31 -1.21 -4.22 118.33 114.15 2kfw n VAL 83 Ca 0.01 -0.74 0.14 0.00 -0.01 0.00 0.00 64.34 63.74 2kfw n VAL 83 Cb 0.58 1.00 0.59 0.00 -0.91 0.00 0.00 33.84 35.10 2kfw n VAL 83 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2kfw n PHE 84 N 1.35 0.00 -3.63 3.52 3.01 0.46 -4.94 117.46 117.22 2kfw n PHE 84 Ca 0.17 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.35 2kfw n PHE 84 Cb 0.57 -0.34 0.05 0.00 -0.01 0.00 0.00 39.48 39.74 2kfw n PHE 84 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 2kfw n MET 85 N -1.33 -1.58 0.00 -1.08 1.56 -1.25 -4.70 117.12 108.74 2kfw n MET 85 Ca 0.10 0.52 0.00 0.00 -0.27 0.00 0.00 57.70 58.05 2kfw n MET 85 Cb 0.30 -4.41 0.00 0.00 2.15 0.00 0.00 33.22 31.27 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kfw n GLY 86 N -1.63 1.27 2.76 -5.12 0.00 -1.26 -5.08 105.19 96.14 2kfw n GLY 86 Ca -0.10 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2kfw n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfw s VAL 87 N 0.00 1.69 0.00 1.61 0.11 -1.26 -4.89 120.40 117.66 2kfw s VAL 87 Ca 0.00 -2.78 0.00 0.00 -2.93 0.00 0.00 61.98 56.27 2kfw s VAL 87 Cb 0.00 -2.18 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 2kfw s VAL 87 CO 0.00 -0.88 0.88 -0.67 -3.33 0.00 0.00 175.10 171.10 2kfw n ASP 88 N 3.39 1.74 -2.74 3.54 -0.08 -1.26 -4.70 116.55 116.44 2kfw n ASP 88 Ca 0.09 -1.76 -0.00 0.00 -1.51 0.00 0.00 54.79 51.60 2kfw n ASP 88 Cb 0.34 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.87 2kfw n ASP 88 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2kfw n GLU 89 N -0.38 1.57 -2.27 -0.67 0.28 -1.26 -5.08 120.64 112.83 2kfw n GLU 89 Ca 0.00 -2.88 -0.43 0.00 -0.16 0.00 0.00 57.16 53.69 2kfw n GLU 89 Cb 0.20 -1.04 -0.02 0.00 1.43 0.00 0.00 31.44 32.00 2kfw n GLU 89 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kfw s LEU 90 N -3.72 3.85 -0.14 -1.84 2.01 -1.26 -4.99 118.68 112.58 2kfw s LEU 90 Ca 0.23 1.35 0.02 0.00 0.01 0.00 0.00 54.13 55.74 2kfw s LEU 90 Cb 0.35 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 43.02 2kfw s LEU 90 CO -0.07 -1.21 -0.19 -1.58 1.01 0.00 0.00 176.35 174.31 2kfw s GLN 91 N 4.50 3.11 0.25 1.70 0.74 -1.26 -5.09 119.66 123.61 2kfw s GLN 91 Ca 0.64 -0.81 -0.31 0.00 0.05 0.00 0.00 55.36 54.93 2kfw s GLN 91 Cb -0.20 -2.50 -0.12 0.00 1.10 0.00 0.00 33.01 31.29 2kfw s GLN 91 CO 0.27 0.03 1.67 0.54 -0.55 0.00 0.00 175.29 177.25 2kfw s VAL 92 N 0.75 2.01 0.00 1.34 0.11 -1.26 -1.35 120.40 122.00 2kfw s VAL 92 Ca -0.08 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2kfw s VAL 92 Cb -0.16 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 2kfw s VAL 92 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2kfw n GLY 93 N 3.12 0.88 3.89 6.54 0.00 0.63 -4.98 105.19 115.26 2kfw n GLY 93 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.64 3.74 -0.19 1.61 0.00 -0.46 -4.82 119.30 118.55 2kfw s MET 94 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 55.69 55.72 2kfw s MET 94 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 34.83 32.16 2kfw s MET 94 CO 0.00 0.26 0.40 0.50 0.00 0.00 0.00 175.02 176.18 2kfw s ARG 95 N -3.14 4.20 -0.03 4.11 3.52 -1.26 -3.16 118.95 123.19 2kfw s ARG 95 Ca 0.46 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 2kfw s ARG 95 Cb -0.11 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2kfw s ARG 95 CO 0.25 0.01 0.00 0.12 -0.81 0.00 0.00 175.30 174.87 2kfw s PHE 96 N 1.16 3.11 -0.23 5.12 5.36 -0.90 -5.00 117.98 126.60 2kfw s PHE 96 Ca 0.20 0.12 -0.12 0.00 -0.96 0.00 0.00 56.93 56.17 2kfw s PHE 96 Cb -0.15 -1.71 -0.05 0.00 -0.34 0.00 0.00 43.02 40.77 2kfw s PHE 96 CO 0.08 0.46 0.22 -1.17 -1.46 0.00 0.00 175.22 173.35 2kfw s LEU 97 N -1.33 4.13 -0.21 6.12 1.98 -1.26 -1.85 118.68 126.27 2kfw s LEU 97 Ca 0.17 0.22 -0.03 0.00 -2.89 0.00 0.00 54.13 51.61 2kfw s LEU 97 Cb -0.11 -2.21 -0.00 0.00 0.66 0.00 0.00 46.19 44.52 2kfw s LEU 97 CO 0.08 0.04 -0.07 0.00 -1.89 0.00 0.00 176.35 174.50 2kfw s ALA 98 N 1.05 2.73 -0.96 5.97 0.00 -1.06 -4.98 121.76 124.50 2kfw s ALA 98 Ca 0.10 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 2kfw s ALA 98 Cb -0.14 -1.59 0.29 0.00 0.00 0.00 0.00 23.12 21.69 2kfw s ALA 98 CO 0.05 -0.37 1.26 0.39 0.00 0.00 0.00 175.76 177.09 2kfw n GLU 99 N 4.67 3.88 -1.98 0.00 1.02 -1.26 -1.39 120.64 125.58 2kfw n GLU 99 Ca -0.19 -4.58 -0.31 0.00 -0.02 0.00 0.00 57.16 52.06 2kfw n GLU 99 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 2kfw n GLU 99 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2kfw s THR 100 N -2.60 4.65 0.55 2.62 -1.32 -1.16 -4.89 115.64 113.49 2kfw s THR 100 Ca 0.33 0.95 0.32 0.00 -1.21 0.00 0.00 61.69 62.08 2kfw s THR 100 Cb 0.06 -3.82 0.47 0.00 -1.51 0.00 0.00 72.50 67.70 2kfw s THR 100 CO 0.06 -1.04 1.86 0.44 -2.21 0.00 0.00 174.62 173.74 2kfw h ASP 101 N -0.04 0.00 0.26 8.08 5.19 -2.03 0.76 116.42 128.63 2kfw h ASP 101 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2kfw h ASP 101 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2kfw h ASP 101 CO 0.62 0.00 0.00 1.67 -3.12 0.00 0.00 179.24 178.41 2kfw n GLN 102 N -4.12 0.04 0.00 3.56 -0.06 -1.26 -4.94 117.38 110.60 2kfw n GLN 102 Ca 0.18 0.31 0.00 0.00 -2.00 0.00 0.00 57.00 55.48 2kfw n GLN 102 Cb 0.96 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.64 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kfw n GLY 103 N -0.60 1.62 3.70 1.69 0.00 0.26 -5.02 105.19 106.85 2kfw n GLY 103 Ca 0.03 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -1.43 4.35 -0.07 1.61 0.04 -1.26 -2.99 135.00 135.25 2kfw s PRO 104 Ca 0.00 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 2kfw s PRO 104 Cb 0.00 -3.47 0.03 0.00 0.04 0.00 0.00 34.50 31.10 2kfw s PRO 104 CO 0.00 -0.43 0.04 0.08 0.04 0.00 0.00 177.00 176.73 2kfw s VAL 105 N 1.83 0.11 0.07 -0.36 1.01 -0.48 -5.01 120.40 117.57 2kfw s VAL 105 Ca 0.60 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 2kfw s VAL 105 Cb -0.29 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 2kfw s VAL 105 CO 0.26 0.17 1.24 -2.16 0.00 0.00 0.00 175.10 174.62 2kfw s PRO 106 N 2.08 4.40 0.17 2.72 0.04 -1.26 -2.57 135.00 140.58 2kfw s PRO 106 Ca 0.05 1.84 0.11 0.00 0.04 0.00 0.00 61.00 63.03 2kfw s PRO 106 Cb -0.13 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2kfw s PRO 106 CO -0.04 -0.30 -0.21 0.14 0.04 0.00 0.00 177.00 176.63 2kfw s VAL 107 N 1.10 2.58 0.34 -0.36 -7.23 -0.77 -4.69 120.40 111.37 2kfw s VAL 107 Ca 0.60 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.99 2kfw s VAL 107 Cb -0.31 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2kfw s VAL 107 CO 0.29 -0.06 0.17 -1.61 -0.31 0.00 0.00 175.10 173.58 2kfw s GLU 108 N -2.57 2.43 -0.28 4.82 0.41 -1.19 -2.13 118.70 120.19 2kfw s GLU 108 Ca 0.20 -1.51 -0.02 0.00 -0.41 0.00 0.00 54.97 53.23 2kfw s GLU 108 Cb -0.09 -2.22 0.09 0.00 -1.78 0.00 0.00 34.13 30.13 2kfw s GLU 108 CO 0.11 0.10 0.10 0.42 -0.49 0.00 0.00 175.26 175.49 2kfw s ILE 109 N -2.41 0.50 0.00 -1.63 1.01 -1.19 -3.07 121.20 114.41 2kfw s ILE 109 Ca 0.38 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2kfw s ILE 109 Cb -0.03 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.13 2kfw s ILE 109 CO 0.23 -0.60 0.05 1.07 0.00 0.00 0.00 174.94 175.70 2kfw n THR 110 N 5.02 0.00 -4.03 2.92 5.66 -1.23 0.23 114.28 122.85 2kfw n THR 110 Ca -0.05 -0.32 -0.08 0.00 -3.05 0.00 0.00 64.05 60.55 2kfw n THR 110 Cb 0.43 1.05 -0.09 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.55 0.33 -0.23 1.79 0.00 -1.23 -4.88 121.76 116.99 2kfw s ALA 111 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2kfw s ALA 111 Cb 0.00 0.36 0.10 0.00 0.00 0.00 0.00 23.12 23.58 2kfw s ALA 111 CO 0.00 -0.42 0.20 0.08 0.00 0.00 0.00 175.76 175.62 2kfw s VAL 112 N -3.91 -0.25 0.60 0.00 1.01 -1.26 -1.67 120.40 114.92 2kfw s VAL 112 Ca 0.07 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2kfw s VAL 112 Cb 0.07 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.73 2kfw s VAL 112 CO -0.10 -0.37 0.84 -1.61 0.00 0.00 0.00 175.10 173.86 2kfw s GLU 113 N 2.26 2.25 0.17 2.72 0.41 -0.12 -4.91 118.70 121.48 2kfw s GLU 113 Ca 0.07 -0.99 -0.30 0.00 -0.41 0.00 0.00 54.97 53.34 2kfw s GLU 113 Cb -0.15 -2.46 -0.07 0.00 -1.78 0.00 0.00 34.13 29.66 2kfw s GLU 113 CO -0.21 -0.95 0.99 0.34 -0.49 0.00 0.00 175.26 174.95 2kfw s ASP 114 N -4.55 7.48 0.00 -0.19 2.15 -1.26 -3.11 116.67 117.19 2kfw s ASP 114 Ca 0.61 1.92 0.00 0.00 0.43 0.00 0.00 52.55 55.51 2kfw s ASP 114 Cb -0.08 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2kfw s ASP 114 CO 0.40 -0.04 0.00 0.47 -0.17 0.00 0.00 175.17 175.83 2kfw n ASP 115 N 2.27 0.00 -3.63 -0.34 8.00 -1.26 -4.89 116.55 116.70 2kfw n ASP 115 Ca 0.01 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.46 2kfw n ASP 115 Cb 0.48 -0.97 -0.06 0.00 -0.02 0.00 0.00 41.12 40.55 2kfw n ASP 115 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2kfw s HIS 116 N -2.70 -0.17 0.54 1.24 -3.43 -1.18 -4.56 115.29 105.02 2kfw s HIS 116 Ca 0.00 0.35 0.09 0.00 -0.80 0.00 0.00 55.06 54.70 2kfw s HIS 116 Cb 0.00 0.46 0.07 0.00 -1.43 0.00 0.00 32.58 31.68 2kfw s HIS 116 CO 0.00 -0.12 0.73 0.14 -2.00 0.00 0.00 174.74 173.49 2kfw s VAL 117 N -0.57 2.28 -0.12 -5.38 -7.23 -1.03 -0.94 120.40 107.40 2kfw s VAL 117 Ca 0.05 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 2kfw s VAL 117 Cb -0.03 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2kfw s VAL 117 CO -0.08 0.00 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.80 2kfw s VAL 118 N -2.61 2.12 0.01 1.32 1.01 -0.67 -1.73 120.40 119.84 2kfw s VAL 118 Ca 0.59 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2kfw s VAL 118 Cb -0.06 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2kfw s VAL 118 CO 0.37 0.55 -0.02 0.68 0.00 0.00 0.00 175.10 176.68 2kfw s VAL 119 N 0.57 0.12 -0.72 2.92 -7.23 -1.14 -3.49 120.40 111.42 2kfw s VAL 119 Ca -0.13 -0.26 -0.25 0.00 -1.81 0.00 0.00 61.98 59.53 2kfw s VAL 119 Cb -0.17 -0.15 0.05 0.00 0.56 0.00 0.00 36.38 36.68 2kfw s VAL 119 CO 0.04 -0.09 1.16 -0.62 -0.31 0.00 0.00 175.10 175.27 2kfw s ASP 120 N -0.38 6.19 0.00 4.85 2.15 -1.18 -2.82 116.67 125.49 2kfw s ASP 120 Ca -0.03 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.20 2kfw s ASP 120 Cb -0.03 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2kfw s ASP 120 CO -0.00 -1.65 0.00 0.61 -0.17 0.00 0.00 175.17 173.96 2kfw n GLY 121 N 5.43 2.69 3.47 2.66 0.00 -1.26 -3.16 105.19 115.02 2kfw n GLY 121 Ca 0.02 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 2kfw n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kfw s ASN 122 N 2.00 3.67 0.01 1.61 -0.87 -1.26 -4.65 114.94 115.44 2kfw s ASN 122 Ca 0.00 -0.83 -0.02 0.00 -1.57 0.00 0.00 52.86 50.44 2kfw s ASN 122 Cb 0.00 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.25 40.81 2kfw s ASN 122 CO 0.00 0.10 0.17 -2.28 -2.57 0.00 0.00 177.10 172.51 2kfw s HIS 123 N -1.86 3.49 0.17 2.20 2.46 -1.26 -5.01 115.29 115.48 2kfw s HIS 123 Ca 0.24 0.30 -0.10 0.00 0.47 0.00 0.00 55.06 55.97 2kfw s HIS 123 Cb -0.07 -1.79 0.03 0.00 -0.13 0.00 0.00 32.58 30.61 2kfw s HIS 123 CO 0.12 0.62 1.59 1.98 -2.47 0.00 0.00 174.74 176.58 2kfw h MET 124 N 3.71 1.04 -3.28 2.88 4.05 -2.00 -3.36 114.93 117.97 2kfw h MET 124 Ca -0.48 -0.40 -0.65 0.00 -0.28 0.00 0.00 59.70 57.89 2kfw h MET 124 Cb 1.18 -0.06 -0.40 0.00 -0.80 0.00 0.00 31.60 31.52 2kfw h MET 124 CO 0.69 1.09 -0.49 -0.51 0.23 0.00 0.00 176.91 177.92 2kfw s LEU 125 N -9.19 4.84 -0.09 3.39 1.43 -1.26 -5.04 118.68 112.76 2kfw s LEU 125 Ca -0.12 -3.43 -0.04 0.00 -1.03 0.00 0.00 54.13 49.51 2kfw s LEU 125 Cb 0.13 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.68 2kfw s LEU 125 CO 0.87 -0.19 0.20 0.00 0.23 0.00 0.00 176.35 177.46 2kfw s ALA 126 N -0.88 -0.36 0.00 4.21 0.00 -1.26 -4.08 121.76 119.39 2kfw s ALA 126 Ca 0.22 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2kfw s ALA 126 Cb -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2kfw s ALA 126 CO -0.09 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2kfw n GLY 127 N 4.80 0.64 2.83 0.00 0.00 0.13 -4.24 105.19 109.36 2kfw n GLY 127 Ca -0.15 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.66 1.74 -1.45 1.61 0.00 -1.22 -4.92 117.38 110.48 2kfw n GLN 128 Ca 0.00 -4.39 -0.48 0.00 -0.00 0.00 0.00 57.00 52.12 2kfw n GLN 128 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 30.24 27.97 2kfw n GLN 128 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2kfw n ASN 129 N 1.96 -0.56 -4.69 1.69 0.23 -1.26 -4.60 115.26 108.03 2kfw n ASN 129 Ca 0.21 1.14 -0.35 0.00 -0.53 0.00 0.00 54.58 55.05 2kfw n ASN 129 Cb 0.36 -1.02 -0.09 0.00 -2.08 0.00 0.00 39.78 36.95 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kfw s LEU 130 N 2.18 3.68 -0.18 -4.53 1.02 -1.24 -4.83 118.68 114.78 2kfw s LEU 130 Ca 0.66 0.16 -0.08 0.00 0.02 0.00 0.00 54.13 54.89 2kfw s LEU 130 Cb -0.91 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 43.39 2kfw s LEU 130 CO 0.57 0.35 0.10 -1.59 0.02 0.00 0.00 176.35 175.80 2kfw s LYS 131 N -0.70 3.94 -0.14 1.70 -2.85 -1.15 -0.41 119.74 120.13 2kfw s LYS 131 Ca 0.11 -0.25 -0.06 0.00 -1.00 0.00 0.00 55.97 54.77 2kfw s LYS 131 Cb -0.12 -3.29 0.06 0.00 -2.06 0.00 0.00 37.83 32.42 2kfw s LYS 131 CO 0.02 0.39 0.31 -0.59 0.10 0.00 0.00 175.35 175.58 2kfw s PHE 132 N 0.07 -0.47 0.28 1.78 -0.71 -0.30 -1.39 117.98 117.24 2kfw s PHE 132 Ca 0.08 1.04 -0.29 0.00 -1.04 0.00 0.00 56.93 56.72 2kfw s PHE 132 Cb -0.12 0.10 -0.10 0.00 -1.21 0.00 0.00 43.02 41.70 2kfw s PHE 132 CO -0.00 -0.32 1.17 -0.80 -1.34 0.00 0.00 175.22 173.93 2kfw s ASN 133 N 1.79 7.10 0.17 1.98 0.01 -0.80 -2.41 114.94 122.78 2kfw s ASN 133 Ca -0.05 2.38 0.11 0.00 -0.71 0.00 0.00 52.86 54.58 2kfw s ASN 133 Cb -0.11 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 2kfw s ASN 133 CO -0.10 -0.29 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.28 2kfw s VAL 134 N -0.96 2.40 -0.02 1.60 1.01 0.15 -1.53 120.40 123.05 2kfw s VAL 134 Ca 0.47 -1.89 -0.00 0.00 0.00 0.00 0.00 61.98 60.56 2kfw s VAL 134 Cb -0.34 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 33.94 2kfw s VAL 134 CO 0.43 -0.04 0.03 -0.70 0.00 0.00 0.00 175.10 174.83 2kfw s GLU 135 N -2.45 -0.03 0.25 2.72 -6.30 0.73 -0.13 118.70 113.50 2kfw s GLU 135 Ca 0.19 0.21 -0.23 0.00 -2.50 0.00 0.00 54.97 52.64 2kfw s GLU 135 Cb -0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 34.13 33.66 2kfw s GLU 135 CO 0.09 -0.19 0.80 0.08 0.02 0.00 0.00 175.26 176.06 2kfw s VAL 136 N 1.22 4.42 -0.11 3.70 1.01 -1.15 -1.68 120.40 127.82 2kfw s VAL 136 Ca -0.07 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 2kfw s VAL 136 Cb -0.13 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 2kfw s VAL 136 CO -0.03 0.23 -0.11 0.52 0.00 0.00 0.00 175.10 175.70 2kfw n VAL 137 N 0.78 0.64 -3.51 2.92 0.31 0.70 -2.83 118.33 117.34 2kfw n VAL 137 Ca -0.01 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.00 2kfw n VAL 137 Cb 0.50 -1.09 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.22 -1.81 -0.27 3.52 0.00 -1.21 -4.67 121.76 115.09 2kfw s ALA 138 Ca -0.15 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 2kfw s ALA 138 Cb 0.05 0.27 0.09 0.00 0.00 0.00 0.00 23.12 23.52 2kfw s ALA 138 CO 0.25 -0.62 0.11 0.42 0.00 0.00 0.00 175.76 175.91 2kfw s ILE 139 N -2.76 0.25 0.43 0.00 1.01 -1.25 -2.51 121.20 116.37 2kfw s ILE 139 Ca 0.03 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.88 2kfw s ILE 139 Cb -0.01 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 2kfw s ILE 139 CO -0.07 -0.62 0.11 -0.13 0.00 0.00 0.00 174.94 174.24 2kfw s ARG 140 N 1.95 2.13 -0.26 2.79 3.00 -0.25 -4.86 118.95 123.44 2kfw s ARG 140 Ca 0.08 -2.02 -0.10 0.00 0.00 0.00 0.00 55.73 53.68 2kfw s ARG 140 Cb -0.16 -1.81 -0.05 0.00 0.00 0.00 0.00 34.95 32.92 2kfw s ARG 140 CO -0.28 -0.15 0.17 -1.21 0.00 0.00 0.00 175.30 173.82 2kfw s GLU 141 N -3.86 3.98 0.84 3.54 8.01 -1.26 0.24 118.70 130.18 2kfw s GLU 141 Ca 0.34 -0.31 -0.11 0.00 0.01 0.00 0.00 54.97 54.91 2kfw s GLU 141 Cb 0.05 -3.57 0.10 0.00 -4.31 0.00 0.00 34.13 26.40 2kfw s GLU 141 CO 0.18 -0.07 1.11 0.00 0.01 0.00 0.00 175.26 176.49 2kfw s ALA 142 N 1.42 1.89 1.08 5.21 0.00 -1.25 -4.85 121.76 125.26 2kfw s ALA 142 Ca 0.07 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 2kfw s ALA 142 Cb -0.15 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 19.82 2kfw s ALA 142 CO 0.08 -2.17 0.70 0.25 0.00 0.00 0.00 175.76 174.62 2kfw n THR 143 N -3.80 0.00 -0.11 0.00 -2.24 -1.26 -4.72 114.28 102.15 2kfw n THR 143 Ca 0.09 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 2kfw n THR 143 Cb 0.53 -1.38 0.23 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.78 -0.22 -0.78 4.39 -1.98 -2.38 114.58 114.38 2kfw h GLU 144 Ca -0.25 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.18 2kfw h GLU 144 Cb 0.72 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2kfw h GLU 144 CO 0.17 0.68 -0.40 1.49 -1.16 0.00 0.00 179.01 179.79 2kfw h GLU 145 N 0.76 0.67 -0.38 2.33 4.81 -1.98 0.59 114.58 121.36 2kfw h GLU 145 Ca 0.17 -0.42 0.03 0.00 -0.13 0.00 0.00 59.36 59.02 2kfw h GLU 145 Cb 0.23 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2kfw h GLU 145 CO -0.01 1.03 0.17 0.93 -0.73 0.00 0.00 179.01 180.41 2kfw h GLU 146 N 0.37 0.35 0.00 1.92 3.07 -1.71 -1.18 114.58 117.40 2kfw h GLU 146 Ca 0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2kfw h GLU 146 Cb 0.99 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 2kfw h GLU 146 CO 0.09 0.23 0.00 -0.07 -1.40 0.00 0.00 179.01 177.86 2kfw h LEU 147 N 0.36 0.00 0.01 1.33 -0.00 -1.43 0.42 115.31 115.99 2kfw h LEU 147 Ca 0.17 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.07 2kfw h LEU 147 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 2kfw h LEU 147 CO -0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 178.44 178.11 2kfw h ALA 148 N 2.10 -0.26 0.00 1.53 0.00 0.42 -3.21 119.26 119.85 2kfw h ALA 148 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kfw h ALA 148 Cb 0.81 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kfw h ALA 148 CO 0.00 -0.70 -0.67 0.72 0.00 0.00 0.00 179.25 178.60 2kfw n HIS 149 N -5.33 0.00 -0.93 0.00 8.25 -1.18 -5.02 115.22 111.01 2kfw n HIS 149 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2kfw n HIS 149 Cb 0.24 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.34 0.85 3.04 -1.41 0.00 0.35 -5.05 105.19 104.32 2kfw n GLY 150 Ca 0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 2kfw n GLY 150 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 151 N -2.53 0.56 -0.20 1.61 3.76 0.12 -4.77 115.29 113.84 2kfw s HIS 151 Ca 0.00 -0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 54.34 2kfw s HIS 151 Cb 0.00 -0.35 -0.00 0.00 1.11 0.00 0.00 32.58 33.34 2kfw s HIS 151 CO 0.00 -0.13 -0.10 0.54 -0.85 0.00 0.00 174.74 174.20 2kfw s VAL 152 N -1.60 2.96 -0.93 -0.90 0.11 -1.26 -4.42 120.40 114.35 2kfw s VAL 152 Ca -0.10 -0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 58.25 2kfw s VAL 152 Cb -0.09 -2.31 -0.03 0.00 -1.53 0.00 0.00 36.38 32.43 2kfw s VAL 152 CO -0.01 0.47 0.79 1.57 -3.33 0.00 0.00 175.10 174.59 2kfw n HIS 153 N 4.58 -2.54 0.00 1.54 -0.00 -1.26 -4.66 115.22 112.89 2kfw n HIS 153 Ca -0.19 0.89 0.00 0.00 0.46 0.00 0.00 57.72 58.88 2kfw n HIS 153 Cb 0.51 -3.90 0.00 0.00 -0.12 0.00 0.00 29.99 26.48 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 154 N -1.55 0.47 3.53 1.57 0.00 -1.26 -5.01 105.19 102.93 2kfw n GLY 154 Ca -0.07 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw s ALA 155 N -2.00 -2.57 -0.88 4.61 0.00 -1.26 -4.69 121.76 114.96 2kfw s ALA 155 Ca 0.00 2.08 0.27 0.00 0.00 0.00 0.00 51.96 54.31 2kfw s ALA 155 Cb 0.00 -1.92 0.84 0.00 0.00 0.00 0.00 23.12 22.04 2kfw s ALA 155 CO 0.00 -0.59 1.69 1.58 0.00 0.00 0.00 175.76 178.44 2kfw n HIS 156 N 4.07 0.29 -0.19 0.00 -0.00 -1.26 -3.78 115.22 114.36 2kfw n HIS 156 Ca -0.14 0.09 -0.09 0.00 -0.00 0.00 0.00 57.72 57.58 2kfw n HIS 156 Cb 0.56 -0.57 0.01 0.00 -0.00 0.00 0.00 29.99 29.99 2kfw n HIS 156 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2kfw h ASP 157 N 0.00 0.82 -3.21 0.26 3.58 -1.96 -3.49 116.42 112.43 2kfw h ASP 157 Ca 0.00 -0.24 0.32 0.00 0.42 0.00 0.00 57.03 57.52 2kfw h ASP 157 Cb 0.59 -0.22 -0.16 0.00 1.72 0.00 0.00 39.33 41.27 2kfw h ASP 157 CO 0.00 0.86 -1.01 1.41 -2.88 0.00 0.00 179.24 177.61 2kfw n HIS 158 N -4.40 -3.40 0.00 0.28 8.25 -1.25 -5.00 115.22 109.70 2kfw n HIS 158 Ca 0.02 1.85 0.00 0.00 -0.26 0.00 0.00 57.72 59.33 2kfw n HIS 158 Cb 0.24 -3.10 0.00 0.00 1.12 0.00 0.00 29.99 28.26 2kfw n HIS 158 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kfw n HIS 159 N -4.15 -0.22 -1.45 4.41 8.25 -1.26 -5.15 115.22 115.64 2kfw n HIS 159 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.44 2kfw n HIS 159 Cb 0.63 0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.80 2kfw n HIS 159 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kfw n HIS 160 N -1.64 -2.09 -1.77 4.41 8.25 -1.26 -4.26 115.22 116.87 2kfw n HIS 160 Ca 0.00 0.40 -0.21 0.00 -0.26 0.00 0.00 57.72 57.65 2kfw n HIS 160 Cb 0.00 -0.67 0.07 0.00 1.12 0.00 0.00 29.99 30.51 2kfw n HIS 160 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kfw n ASP 161 N -3.98 4.85 0.00 0.41 2.03 -1.26 -4.99 116.55 113.62 2kfw n ASP 161 Ca 0.00 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.54 2kfw n ASP 161 Cb 0.15 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 2kfw n ASP 161 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2kfw n HIS 162 N -0.85 0.00 -2.85 -0.67 -0.00 -1.26 -4.21 115.22 105.38 2kfw n HIS 162 Ca 0.44 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.75 2kfw n HIS 162 Cb 0.90 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.91 2kfw n HIS 162 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2kfw n ASP 163 N 1.05 6.80 -4.64 0.26 9.92 -1.26 -5.00 116.55 123.69 2kfw n ASP 163 Ca 0.00 -3.54 -0.41 0.00 -0.53 0.00 0.00 54.79 50.31 2kfw n ASP 163 Cb 0.00 -1.21 -0.05 0.00 -0.64 0.00 0.00 41.12 39.22 2kfw n ASP 163 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2kfw s HIS 164 N -3.48 3.30 -0.53 1.24 2.46 -1.26 -4.99 115.29 112.03 2kfw s HIS 164 Ca 0.35 1.04 0.04 0.00 0.47 0.00 0.00 55.06 56.96 2kfw s HIS 164 Cb 0.11 -2.99 0.17 0.00 -0.13 0.00 0.00 32.58 29.74 2kfw s HIS 164 CO 0.00 -0.38 0.41 -0.25 -2.47 0.00 0.00 174.74 172.05 2kfw n ASP 165 N 5.93 1.00 -4.51 9.88 8.00 -1.26 -5.06 116.55 130.54 2kfw n ASP 165 Ca 0.04 -2.73 -0.26 0.00 0.71 0.00 0.00 54.79 52.54 2kfw n ASP 165 Cb 0.48 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.84 2kfw n ASP 165 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2kfw s GLY 166 N -0.62 2.48 -0.11 0.44 0.00 -1.26 -5.08 107.32 103.17 2kfw s GLY 166 Ca 0.30 -1.67 -0.03 0.00 0.00 0.00 0.00 44.72 43.31 2kfw s GLY 166 CO -0.18 -1.98 0.09 0.00 0.00 0.00 0.00 173.10 171.02 2kfw n GLY 169 N -1.39 1.17 0.02 0.00 0.00 -1.26 -5.06 105.19 98.67 2kfw n GLY 169 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 1.52 0.91 3.55 -0.02 0.00 -1.26 -4.89 105.19 105.00 2kfw n GLY 170 Ca 0.00 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 0.03 1.37 -2.49 1.61 -0.00 -1.26 -4.93 115.22 109.55 2kfw n HIS 171 Ca 0.00 0.13 -0.23 0.00 -0.00 0.00 0.00 57.72 57.62 2kfw n HIS 171 Cb 0.00 -2.62 0.05 0.00 -0.00 0.00 0.00 29.99 27.41 2kfw n HIS 171 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2kfw s GLY 172 N 12.07 1.76 -0.24 -1.41 0.00 -1.26 -5.03 107.32 113.21 2kfw s GLY 172 Ca 1.00 -1.15 -0.27 0.00 0.00 0.00 0.00 44.72 44.30 2kfw s GLY 172 CO 0.27 -0.83 0.94 -1.58 0.00 0.00 0.00 173.10 171.90 2kfw s HIS 173 N -2.93 3.32 0.24 1.90 5.04 -1.26 -5.00 115.29 116.59 2kfw s HIS 173 Ca 0.58 1.30 -0.18 0.00 -1.54 0.00 0.00 55.06 55.22 2kfw s HIS 173 Cb -0.10 -3.19 0.02 0.00 0.04 0.00 0.00 32.58 29.34 2kfw s HIS 173 CO 0.41 -0.46 0.59 0.34 -2.34 0.00 0.00 174.74 173.27 2kfw s ASP 174 N 1.29 -0.24 0.44 9.88 2.15 -1.26 -5.18 116.67 123.75 2kfw s ASP 174 Ca 0.40 -0.61 0.03 0.00 0.43 0.00 0.00 52.55 52.80 2kfw s ASP 174 Cb -0.15 0.64 -0.02 0.00 -0.30 0.00 0.00 42.92 43.09 2kfw s ASP 174 CO 0.07 -1.18 0.10 -1.00 -0.17 0.00 0.00 175.17 172.99 2kfw s HIS 175 N -3.92 1.80 0.00 -5.34 3.76 -1.26 -4.86 115.29 105.48 2kfw s HIS 175 Ca 0.13 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.83 2kfw s HIS 175 Cb -0.03 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.38 2kfw s HIS 175 CO 0.03 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 2kfw n GLY 176 N -1.03 1.03 0.44 -2.22 0.00 -1.26 -4.96 105.19 97.20 2kfw n GLY 176 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2kfw n GLY 176 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 177 N -1.88 0.00 0.00 1.61 -0.00 -1.26 -4.99 115.22 108.70 2kfw n HIS 177 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kfw n HIS 177 Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 29.99 29.60 2kfw n HIS 177 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2kfw n GLU 178 N -3.24 0.00 -3.72 1.57 1.02 -1.26 -4.78 120.64 110.23 2kfw n GLU 178 Ca -0.20 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.70 2kfw n GLU 178 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.09 2kfw n GLU 178 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kfw n HIS 179 N 0.00 -2.10 0.00 -0.32 -0.00 -1.26 -4.79 115.22 106.75 2kfw n HIS 179 Ca 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 57.72 58.50 2kfw n HIS 179 Cb 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 29.99 27.00 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 180 N -1.71 3.33 0.00 1.57 0.00 -1.26 -5.09 105.19 102.03 2kfw n GLY 180 Ca -0.25 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2kfw n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 181 N 0.39 -3.46 0.00 -0.02 0.00 -1.26 -5.04 105.19 95.80 2kfw n GLY 181 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2kfw n GLY 181 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kfw n GLU 182 N -1.20 0.00 -0.23 1.61 0.28 -1.26 -4.94 120.64 114.90 2kfw n GLU 182 Ca 0.00 0.00 0.31 0.00 -0.16 0.00 0.00 57.16 57.31 2kfw n GLU 182 Cb 0.00 0.00 0.61 0.00 1.43 0.00 0.00 31.44 33.48 2kfw n GLU 182 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2kfw h GLY 183 N 0.00 0.00 -1.64 -1.84 0.00 -2.05 -3.41 103.07 94.13 2kfw h GLY 183 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 2kfw h GLY 183 CO 0.00 0.00 -1.67 0.00 0.00 0.00 0.00 176.54 174.87 2kfw n GLY 186 N -2.37 0.02 5.51 0.00 0.00 -1.26 -4.97 105.19 102.11 2kfw n GLY 186 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 2.39 3.67 -0.02 0.00 -1.26 -4.88 105.19 105.08 2kfw n GLY 187 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2kfw n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfw s LYS 188 N 0.00 4.17 0.00 1.61 -0.14 -1.26 -4.87 119.74 119.25 2kfw s LYS 188 Ca 0.00 2.39 0.00 0.00 -1.36 0.00 0.00 55.97 57.00 2kfw s LYS 188 Cb 0.00 -3.98 0.00 0.00 -1.68 0.00 0.00 37.83 32.17 2kfw s LYS 188 CO 0.00 -0.87 0.00 0.41 -0.76 0.00 0.00 175.35 174.13 2kfw n GLY 189 N 4.28 2.85 7.00 -3.33 0.00 -1.26 -5.11 105.19 109.62 2kfw n GLY 189 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kfw n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kfw n ASN 190 N 0.00 -2.91 -4.46 1.61 2.85 -1.26 -4.47 115.26 106.62 2kfw n ASN 190 Ca 0.00 0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 54.02 2kfw n ASN 190 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfw n GLY 191 N 0.00 -0.06 0.00 8.20 0.00 -1.26 -4.71 105.19 107.36 2kfw n GLY 191 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 6.55 1.92 3.67 -0.02 0.00 -1.26 -5.12 105.19 110.92 2kfw n GLY 192 Ca 0.52 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 1.00 -0.51 2.86 0.00 0.00 -1.26 -4.96 105.19 102.31 2kfw n GLY 194 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32