#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o50 n HIS -1 N 0.00 -0.01 -3.56 1.57 -0.00 -1.26 -3.81 115.22 108.14 1o50 n HIS -1 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1o50 n HIS -1 Cb 0.00 -2.19 -0.00 0.00 -0.00 0.00 0.00 29.99 27.80 1o50 n HIS -1 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1o50 n HIS 0 N -1.97 -1.85 -2.22 4.41 8.25 -1.26 -4.94 115.22 115.65 1o50 n HIS 0 Ca -0.04 0.58 -0.36 0.00 -0.26 0.00 0.00 57.72 57.64 1o50 n HIS 0 Cb 0.51 -3.11 0.00 0.00 1.12 0.00 0.00 29.99 28.51 1o50 n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1o50 s MET 1 N -6.23 3.48 0.39 -0.41 -1.94 -1.25 -4.98 119.30 108.36 1o50 s MET 1 Ca 0.49 1.72 0.07 0.00 -1.71 0.00 0.00 55.69 56.26 1o50 s MET 1 Cb -0.26 -2.17 -0.08 0.00 2.01 0.00 0.00 34.83 34.34 1o50 s MET 1 CO 0.60 -0.77 -0.00 0.15 -0.01 0.00 0.00 175.02 174.98 1o50 s LYS 2 N -3.04 1.89 0.28 2.03 1.02 -1.26 -1.32 119.74 119.34 1o50 s LYS 2 Ca 0.69 -2.05 -0.00 0.00 0.02 0.00 0.00 55.97 54.63 1o50 s LYS 2 Cb -0.27 -1.54 0.50 0.00 -0.52 0.00 0.00 37.83 36.00 1o50 s LYS 2 CO 0.31 -0.04 1.86 0.28 -0.92 0.00 0.00 175.35 176.85 1o50 h VAL 3 N 1.86 1.00 -0.27 3.17 2.07 -0.47 -0.39 116.25 123.22 1o50 h VAL 3 Ca -0.43 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1o50 h VAL 3 Cb 1.24 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1o50 h VAL 3 CO 0.78 0.19 0.24 0.07 0.02 0.00 0.00 177.57 178.87 1o50 h LYS 4 N 1.07 0.00 0.00 1.57 2.10 -1.34 0.16 116.57 120.12 1o50 h LYS 4 Ca 0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.11 1o50 h LYS 4 Cb 0.34 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1o50 h LYS 4 CO -0.22 0.00 -0.06 -0.44 -2.00 0.00 0.00 179.45 176.73 1o50 h ASP 5 N 0.00 0.00 0.00 7.07 3.32 -1.35 -3.39 116.42 122.07 1o50 h ASP 5 Ca 0.13 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 1o50 h ASP 5 Cb 0.60 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1o50 h ASP 5 CO -0.00 0.03 -1.58 0.52 -1.72 0.00 0.00 179.24 176.49 1o50 n VAL 6 N -3.09 0.58 1.03 -1.35 0.31 -0.39 -4.72 118.33 110.70 1o50 n VAL 6 Ca 0.04 -0.35 0.09 0.00 -0.01 0.00 0.00 64.34 64.11 1o50 n VAL 6 Cb 0.54 -0.78 0.51 0.00 -0.91 0.00 0.00 33.84 33.20 1o50 n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1o50 n LYS 8 N -1.09 2.72 0.16 0.00 5.02 -1.26 -4.62 118.16 119.09 1o50 n LYS 8 Ca 0.12 -1.71 0.03 0.00 -2.02 0.00 0.00 58.31 54.73 1o50 n LYS 8 Cb 0.09 -1.10 0.24 0.00 -0.02 0.00 0.00 35.03 34.24 1o50 n LYS 8 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1o50 h LEU 9 N 0.09 0.00 -8.40 -0.35 3.38 -1.69 -3.41 115.31 104.94 1o50 h LEU 9 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1o50 h LEU 9 Cb 0.60 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.07 1o50 h LEU 9 CO 0.00 0.48 -0.83 -0.63 0.09 0.00 0.00 178.44 177.55 1o50 s ILE 10 N -3.47 1.45 -0.71 1.22 1.01 -1.26 -5.09 121.20 114.35 1o50 s ILE 10 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 59.46 1o50 s ILE 10 Cb 0.11 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.36 1o50 s ILE 10 CO 0.72 0.29 1.41 -0.55 0.00 0.00 0.00 174.94 176.81 1o50 s SER 11 N -0.73 5.96 -0.02 3.58 0.15 -1.26 -4.99 113.70 116.39 1o50 s SER 11 Ca 0.06 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.48 1o50 s SER 11 Cb -0.08 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1o50 s SER 11 CO 0.00 -1.96 -0.09 -0.76 1.20 0.00 0.00 173.24 171.64 1o50 s LEU 12 N 6.49 3.07 -0.21 3.45 1.43 -1.26 -5.12 118.68 126.53 1o50 s LEU 12 Ca 0.42 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1o50 s LEU 12 Cb -0.09 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1o50 s LEU 12 CO 0.16 0.31 -0.10 -0.54 0.23 0.00 0.00 176.35 176.42 1o50 s LYS 13 N -1.17 3.23 0.36 1.70 3.01 -1.26 -4.85 119.74 120.75 1o50 s LYS 13 Ca 0.15 -0.71 -0.28 0.00 -1.01 0.00 0.00 55.97 54.12 1o50 s LYS 13 Cb -0.11 -2.86 -0.11 0.00 -1.01 0.00 0.00 37.83 33.75 1o50 s LYS 13 CO 0.05 -0.21 1.48 -2.14 0.51 0.00 0.00 175.35 175.04 1o50 s PRO 14 N 1.41 4.15 -0.39 -1.68 0.02 -1.26 -4.97 135.00 132.27 1o50 s PRO 14 Ca 0.05 2.52 -0.17 0.00 0.02 0.00 0.00 61.00 63.42 1o50 s PRO 14 Cb -0.14 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.40 1o50 s PRO 14 CO -0.07 -0.50 0.47 0.99 -0.33 0.00 0.00 177.00 177.56 1o50 s THR 15 N -0.96 5.05 -0.12 0.99 2.01 -1.26 -5.06 115.64 116.29 1o50 s THR 15 Ca 0.54 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.55 1o50 s THR 15 Cb -0.46 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.07 1o50 s THR 15 CO 0.60 -0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.35 1o50 s VAL 16 N 2.27 1.65 0.42 3.82 1.01 -1.26 -1.11 120.40 127.20 1o50 s VAL 16 Ca 0.15 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1o50 s VAL 16 Cb -0.16 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 1o50 s VAL 16 CO 0.14 0.47 0.10 0.68 0.00 0.00 0.00 175.10 176.49 1o50 s VAL 17 N 1.00 2.08 0.37 2.92 -7.23 0.20 -4.97 120.40 114.76 1o50 s VAL 17 Ca -0.05 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1o50 s VAL 17 Cb -0.15 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.86 1o50 s VAL 17 CO -0.03 0.00 0.52 -1.61 -0.31 0.00 0.00 175.10 173.68 1o50 s GLU 18 N -3.83 3.06 0.43 4.82 0.41 -1.26 -1.21 118.70 121.12 1o50 s GLU 18 Ca 0.36 -0.95 0.13 0.00 -0.41 0.00 0.00 54.97 54.10 1o50 s GLU 18 Cb 0.06 -2.76 0.95 0.00 -1.78 0.00 0.00 34.13 30.61 1o50 s GLU 18 CO 0.19 -0.06 1.99 0.93 -0.49 0.00 0.00 175.26 177.82 1o50 h GLU 19 N 0.75 0.10 -0.61 1.61 5.08 -1.96 -2.37 114.58 117.18 1o50 h GLU 19 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1o50 h GLU 19 Cb 1.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1o50 h GLU 19 CO 0.53 0.23 0.00 -0.40 -1.00 0.00 0.00 179.01 178.37 1o50 n ASP 20 N -4.34 3.36 -4.68 1.42 5.75 -1.26 -0.85 116.55 115.95 1o50 n ASP 20 Ca -0.02 -2.08 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 1o50 n ASP 20 Cb 0.23 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.87 1o50 n ASP 20 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1o50 s THR 21 N -1.33 3.49 0.55 2.12 2.01 -0.89 -4.81 115.64 116.78 1o50 s THR 21 Ca 0.40 0.78 -0.21 0.00 0.31 0.00 0.00 61.69 62.98 1o50 s THR 21 Cb 0.22 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 1o50 s THR 21 CO 0.26 -0.03 1.28 -2.84 -0.69 0.00 0.00 174.62 172.60 1o50 s PRO 22 N 3.15 3.19 0.29 4.92 0.02 -1.26 -0.62 135.00 144.68 1o50 s PRO 22 Ca 0.70 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.76 1o50 s PRO 22 Cb -0.34 -2.19 0.42 0.00 0.02 0.00 0.00 34.50 32.41 1o50 s PRO 22 CO 0.29 -1.09 1.84 0.82 -0.33 0.00 0.00 177.00 178.53 1o50 h ILE 23 N 1.35 1.22 -0.89 2.83 2.04 -1.55 0.06 117.51 122.57 1o50 h ILE 23 Ca -0.50 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 64.65 1o50 h ILE 23 Cb 1.29 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 1o50 h ILE 23 CO 0.57 0.29 0.58 -0.08 0.00 0.00 0.00 178.15 179.51 1o50 h GLU 24 N 0.80 0.99 -0.01 2.37 4.81 -1.91 -0.59 114.58 121.04 1o50 h GLU 24 Ca 0.18 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1o50 h GLU 24 Cb 0.26 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1o50 h GLU 24 CO -0.01 0.65 -0.54 1.49 -0.73 0.00 0.00 179.01 179.87 1o50 h GLU 25 N 1.02 0.03 -0.42 1.92 4.81 -1.37 -0.80 114.58 119.76 1o50 h GLU 25 Ca 0.38 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1o50 h GLU 25 Cb 0.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1o50 h GLU 25 CO -0.14 0.57 0.10 0.82 -0.73 0.00 0.00 179.01 179.63 1o50 h ILE 26 N 0.02 1.23 -0.44 2.32 2.04 -0.50 -1.34 117.51 120.84 1o50 h ILE 26 Ca -0.00 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1o50 h ILE 26 Cb 0.97 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1o50 h ILE 26 CO 0.07 0.28 0.26 0.58 0.00 0.00 0.00 178.15 179.34 1o50 h VAL 27 N 0.54 1.04 -0.52 1.67 2.07 -0.89 -1.38 116.25 118.78 1o50 h VAL 27 Ca 0.13 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1o50 h VAL 27 Cb 0.31 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1o50 h VAL 27 CO 0.00 0.09 0.22 0.44 0.02 0.00 0.00 177.57 178.34 1o50 h ASP 28 N 0.52 0.26 -0.91 0.57 3.32 -0.78 -0.54 116.42 118.85 1o50 h ASP 28 Ca 0.18 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.33 1o50 h ASP 28 Cb 0.02 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 1o50 h ASP 28 CO -0.08 0.18 0.58 0.03 -1.72 0.00 0.00 179.24 178.22 1o50 h ARG 29 N 0.42 1.05 -0.34 3.56 2.47 -0.92 -1.97 114.38 118.65 1o50 h ARG 29 Ca 0.25 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.82 1o50 h ARG 29 Cb 0.24 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1o50 h ARG 29 CO -0.22 0.69 -0.11 0.82 0.56 0.00 0.00 179.97 181.71 1o50 h ILE 30 N 1.08 1.28 0.00 2.04 2.04 -0.68 -3.03 117.51 120.24 1o50 h ILE 30 Ca 0.39 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1o50 h ILE 30 Cb 0.12 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1o50 h ILE 30 CO -0.16 0.39 -0.15 -0.07 0.00 0.00 0.00 178.15 178.16 1o50 h LEU 31 N 0.45 0.00 -0.43 1.44 3.38 -0.89 -2.13 115.31 117.13 1o50 h LEU 31 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1o50 h LEU 31 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1o50 h LEU 31 CO 0.04 0.15 -0.60 -0.08 0.09 0.00 0.00 178.44 178.04 1o50 h GLU 32 N 0.00 0.00 -2.13 1.13 4.22 -1.27 -3.37 114.58 113.16 1o50 h GLU 32 Ca -0.00 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.86 1o50 h GLU 32 Cb 0.32 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.17 1o50 h GLU 32 CO 0.02 0.60 -0.95 -3.47 -2.18 0.00 0.00 179.01 173.02 1o50 n ASP 33 N -3.45 1.04 0.00 1.04 2.03 -0.96 -5.01 116.55 111.24 1o50 n ASP 33 Ca 0.00 -2.85 0.05 0.00 0.52 0.00 0.00 54.79 52.51 1o50 n ASP 33 Cb 0.69 -0.64 0.25 0.00 -0.72 0.00 0.00 41.12 40.70 1o50 n ASP 33 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1o50 n PRO 34 N 1.47 0.15 0.22 -0.67 -0.04 -0.84 -1.13 135.00 134.15 1o50 n PRO 34 Ca 0.24 0.19 0.15 0.00 -0.04 0.00 0.00 63.50 64.04 1o50 n PRO 34 Cb 0.49 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.10 1o50 n PRO 34 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1o50 h VAL 35 N 0.00 0.00 -3.16 0.52 3.04 -1.95 -3.45 116.25 111.24 1o50 h VAL 35 Ca 0.00 -0.32 -0.53 0.00 -1.01 0.00 0.00 66.70 64.84 1o50 h VAL 35 Cb 0.09 1.18 0.05 0.00 -2.01 0.00 0.00 31.29 30.60 1o50 h VAL 35 CO 0.00 0.00 0.81 -0.89 -1.01 0.00 0.00 177.57 176.48 1o50 s THR 36 N -3.57 2.63 0.00 3.17 2.01 -0.28 -4.88 115.64 114.73 1o50 s THR 36 Ca 0.02 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1o50 s THR 36 Cb 0.09 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1o50 s THR 36 CO 0.45 0.06 0.00 0.54 -0.69 0.00 0.00 174.62 174.98 1o50 n ARG 37 N 2.96 1.12 -3.74 4.92 1.74 -1.26 -4.95 116.66 117.46 1o50 n ARG 37 Ca 0.10 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.02 1o50 n ARG 37 Cb 0.39 -0.90 -0.16 0.00 -1.02 0.00 0.00 32.46 30.77 1o50 n ARG 37 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1o50 s THR 38 N -1.68 -0.09 0.01 0.55 2.01 -1.26 -1.53 115.64 113.65 1o50 s THR 38 Ca 0.00 0.26 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 1o50 s THR 38 Cb 0.00 -0.16 -0.06 0.00 0.01 0.00 0.00 72.50 72.29 1o50 s THR 38 CO 0.00 0.11 0.52 -0.69 -0.69 0.00 0.00 174.62 173.87 1o50 s VAL 39 N 1.43 4.92 0.14 3.82 1.01 -0.17 -4.61 120.40 126.94 1o50 s VAL 39 Ca -0.05 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.07 1o50 s VAL 39 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1o50 s VAL 39 CO -0.04 0.49 0.13 -0.31 0.00 0.00 0.00 175.10 175.37 1o50 s TYR 40 N -0.62 3.17 -0.12 5.22 2.02 -0.27 0.69 117.35 127.45 1o50 s TYR 40 Ca 0.28 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1o50 s TYR 40 Cb -0.18 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1o50 s TYR 40 CO 0.16 0.52 -0.16 0.08 -1.57 0.00 0.00 175.55 174.58 1o50 s VAL 41 N -1.66 1.60 0.30 0.71 1.01 -0.46 -0.63 120.40 121.28 1o50 s VAL 41 Ca 0.31 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.70 1o50 s VAL 41 Cb -0.11 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1o50 s VAL 41 CO 0.23 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.66 1o50 s ALA 42 N 1.10 2.88 -0.18 5.51 0.00 -0.35 -0.59 121.76 130.13 1o50 s ALA 42 Ca -0.04 -1.92 -0.05 0.00 0.00 0.00 0.00 51.96 49.96 1o50 s ALA 42 Cb -0.14 -0.26 0.09 0.00 0.00 0.00 0.00 23.12 22.80 1o50 s ALA 42 CO -0.04 0.21 0.32 0.50 0.00 0.00 0.00 175.76 176.75 1o50 s ARG 43 N -3.57 0.24 -1.40 0.00 3.52 -0.59 -4.18 118.95 112.97 1o50 s ARG 43 Ca 0.31 0.70 -0.10 0.00 -0.13 0.00 0.00 55.73 56.52 1o50 s ARG 43 Cb -0.03 -0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.20 1o50 s ARG 43 CO 0.16 -0.40 1.10 -0.25 -0.81 0.00 0.00 175.30 175.10 1o50 n ASP 44 N 5.36 -5.47 -0.01 -2.12 8.00 -1.26 -2.32 116.55 118.73 1o50 n ASP 44 Ca -0.06 -0.63 -0.00 0.00 0.71 0.00 0.00 54.79 54.81 1o50 n ASP 44 Cb 0.50 -4.65 -0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1o50 n ASP 44 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1o50 n ASN 45 N -2.97 -4.98 -4.82 -2.24 3.02 -1.26 -5.00 115.26 97.01 1o50 n ASN 45 Ca -0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1o50 n ASN 45 Cb 0.56 -2.49 -0.07 0.00 -0.61 0.00 0.00 39.78 37.17 1o50 n ASN 45 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1o50 s LYS 46 N -1.34 3.27 -0.09 3.52 -0.14 -0.98 -4.50 119.74 119.48 1o50 s LYS 46 Ca 0.00 -0.27 -0.30 0.00 -1.36 0.00 0.00 55.97 54.04 1o50 s LYS 46 Cb 0.00 -3.03 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 1o50 s LYS 46 CO 0.00 0.73 1.35 -1.17 -0.76 0.00 0.00 175.35 175.50 1o50 s LEU 47 N -1.17 4.25 0.00 3.17 2.96 0.02 -1.54 118.68 126.37 1o50 s LEU 47 Ca 0.17 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 1o50 s LEU 47 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1o50 s LEU 47 CO 0.06 -0.75 0.00 1.33 -1.32 0.00 0.00 176.35 175.67 1o50 n VAL 48 N 5.09 0.00 -3.83 1.68 0.24 0.24 -4.96 118.33 116.79 1o50 n VAL 48 Ca 0.14 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 1o50 n VAL 48 Cb 0.44 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.43 1o50 n VAL 48 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1o50 s GLY 49 N -1.37 0.19 0.03 7.63 0.00 -0.95 -4.50 107.32 108.34 1o50 s GLY 49 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 1o50 s GLY 49 CO 0.00 0.38 0.11 -3.16 0.00 0.00 0.00 173.10 170.43 1o50 s MET 50 N -2.61 0.55 -0.36 2.90 0.23 -0.10 -1.36 119.30 118.56 1o50 s MET 50 Ca 0.16 -0.63 0.00 0.00 -1.03 0.00 0.00 55.69 54.19 1o50 s MET 50 Cb -0.04 0.22 0.12 0.00 -1.53 0.00 0.00 34.83 33.59 1o50 s MET 50 CO 0.09 -0.14 0.16 0.42 -2.03 0.00 0.00 175.02 173.52 1o50 s ILE 51 N -2.17 0.98 0.40 3.16 1.01 0.22 -1.16 121.20 123.63 1o50 s ILE 51 Ca -0.09 -1.86 -0.27 0.00 0.00 0.00 0.00 60.65 58.44 1o50 s ILE 51 Cb -0.04 -1.72 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1o50 s ILE 51 CO -0.02 -0.79 1.44 -2.65 0.00 0.00 0.00 174.94 172.91 1o50 n PRO 52 N 4.27 2.44 0.09 2.79 -0.02 -1.26 -1.00 135.00 142.31 1o50 n PRO 52 Ca 0.04 0.86 0.11 0.00 -2.02 0.00 0.00 63.50 62.49 1o50 n PRO 52 Cb 0.39 -2.61 0.59 0.00 -0.02 0.00 0.00 33.50 31.85 1o50 n PRO 52 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1o50 h VAL 53 N 2.63 0.93 -0.01 -1.45 2.07 -1.65 0.37 116.25 119.15 1o50 h VAL 53 Ca -0.50 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 1o50 h VAL 53 Cb 1.26 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1o50 h VAL 53 CO 0.63 0.03 -0.68 -0.03 0.02 0.00 0.00 177.57 177.53 1o50 h MET 54 N 0.17 0.05 -0.53 1.57 1.85 -1.91 -0.54 114.93 115.58 1o50 h MET 54 Ca 0.14 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 1o50 h MET 54 Cb 0.35 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.37 1o50 h MET 54 CO -0.02 0.71 0.12 1.25 -0.40 0.00 0.00 176.91 178.58 1o50 h HIS 55 N 0.03 0.90 -0.55 1.39 6.17 -1.33 -1.47 115.15 120.30 1o50 h HIS 55 Ca -0.01 -0.11 -0.04 0.00 0.71 0.00 0.00 60.37 60.92 1o50 h HIS 55 Cb 1.21 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 30.86 1o50 h HIS 55 CO 0.01 0.79 0.17 1.25 0.71 0.00 0.00 177.93 180.86 1o50 h LEU 56 N 0.75 0.77 -0.52 0.26 5.85 -0.95 0.03 115.31 121.50 1o50 h LEU 56 Ca 0.17 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1o50 h LEU 56 Cb 0.35 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1o50 h LEU 56 CO 0.00 0.73 0.07 0.25 -0.34 0.00 0.00 178.44 179.15 1o50 h LEU 57 N 0.81 0.84 -0.17 2.25 5.85 -1.00 -0.49 115.31 123.41 1o50 h LEU 57 Ca 0.18 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1o50 h LEU 57 Cb 0.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1o50 h LEU 57 CO -0.01 0.90 -0.04 0.11 -0.34 0.00 0.00 178.44 179.06 1o50 h LYS 58 N 0.75 0.33 -1.00 1.25 1.57 -0.65 -0.56 116.57 118.26 1o50 h LYS 58 Ca 0.16 -0.13 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1o50 h LYS 58 Cb 0.43 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 1o50 h LYS 58 CO 0.01 0.60 0.63 0.28 -0.57 0.00 0.00 179.45 180.41 1o50 h VAL 59 N 0.04 0.94 -0.13 0.50 2.07 -0.94 -2.32 116.25 116.39 1o50 h VAL 59 Ca 0.04 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1o50 h VAL 59 Cb 0.48 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1o50 h VAL 59 CO 0.02 0.18 -0.28 0.28 0.02 0.00 0.00 177.57 177.80 1o50 h SER 60 N 1.01 0.47 -0.83 0.57 0.02 -0.64 -1.57 113.55 112.59 1o50 h SER 60 Ca 0.49 -0.56 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1o50 h SER 60 Cb 0.46 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1o50 h SER 60 CO -0.25 0.95 0.54 1.23 -1.14 0.00 0.00 176.83 178.16 1o50 h GLY 61 N 0.01 1.17 0.67 -3.77 0.00 -0.88 -0.50 103.07 99.77 1o50 h GLY 61 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1o50 h GLY 61 CO 0.06 0.35 -0.01 -2.75 0.00 0.00 0.00 176.54 174.19 1o50 h PHE 62 N 1.02 0.09 -0.47 5.60 3.57 -1.38 -1.27 116.94 124.10 1o50 h PHE 62 Ca 0.33 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 1o50 h PHE 62 Cb 0.03 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1o50 h PHE 62 CO -0.00 0.42 0.20 1.25 -2.23 0.00 0.00 178.31 177.95 1o50 h HIS 63 N -0.26 0.71 0.00 0.41 2.76 -0.89 -0.37 115.15 117.50 1o50 h HIS 63 Ca 0.01 -0.05 -0.31 0.00 -2.20 0.00 0.00 60.37 57.83 1o50 h HIS 63 Cb 0.39 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 1o50 h HIS 63 CO 0.05 0.59 -1.86 1.19 -1.30 0.00 0.00 177.93 176.60 1o50 n PHE 64 N -4.60 0.77 -0.09 5.26 3.72 -0.23 -4.57 117.46 117.72 1o50 n PHE 64 Ca 0.01 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1o50 n PHE 64 Cb 0.14 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.54 1o50 n PHE 64 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o50 n PHE 65 N -2.97 0.00 -1.98 1.38 3.72 -0.57 -5.02 117.46 112.02 1o50 n PHE 65 Ca -0.20 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.02 1o50 n PHE 65 Cb 1.07 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.58 1o50 n PHE 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o50 n GLY 66 N 0.26 0.54 3.67 1.37 0.00 -0.15 -4.94 105.19 105.94 1o50 n GLY 66 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1o50 n GLY 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o50 s PHE 67 N -2.78 3.39 -0.34 1.61 5.36 -0.67 -4.87 117.98 119.68 1o50 s PHE 67 Ca 0.00 1.42 -0.11 0.00 -0.96 0.00 0.00 56.93 57.29 1o50 s PHE 67 Cb 0.00 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1o50 s PHE 67 CO 0.00 -0.37 0.19 0.42 -1.46 0.00 0.00 175.22 173.99 1o50 s ILE 68 N 2.72 4.71 0.46 3.12 1.01 -1.26 -3.22 121.20 128.75 1o50 s ILE 68 Ca 0.43 -0.54 0.28 0.00 0.00 0.00 0.00 60.65 60.82 1o50 s ILE 68 Cb -0.16 -3.49 0.31 0.00 0.01 0.00 0.00 42.46 39.14 1o50 s ILE 68 CO 0.10 -0.06 2.13 -0.65 0.00 0.00 0.00 174.94 176.46 1o50 h PRO 69 N 8.41 0.00 0.00 2.79 0.11 -1.96 -3.52 132.00 137.83 1o50 h PRO 69 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1o50 h PRO 69 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1o50 h PRO 69 CO 0.64 0.08 0.00 0.45 -0.21 0.00 0.00 178.00 178.96 1o50 n SER 77 N -3.69 0.00 -4.79 -2.05 2.88 -1.26 -5.26 113.62 99.46 1o50 n SER 77 Ca -0.02 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.13 1o50 n SER 77 Cb 0.19 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.59 1o50 n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o50 s MET 78 N 0.00 4.47 0.38 -1.46 0.00 -1.26 -5.05 119.30 116.38 1o50 s MET 78 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 55.69 56.81 1o50 s MET 78 Cb 0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 34.83 31.52 1o50 s MET 78 CO 0.00 0.58 -0.01 0.15 0.00 0.00 0.00 175.02 175.74 1o50 s LYS 79 N -1.18 1.88 0.18 3.16 -0.14 -1.26 -5.11 119.74 117.27 1o50 s LYS 79 Ca 0.35 -2.04 -0.30 0.00 -1.36 0.00 0.00 55.97 52.62 1o50 s LYS 79 Cb -0.22 -1.54 -0.07 0.00 -1.68 0.00 0.00 37.83 34.32 1o50 s LYS 79 CO 0.24 -0.03 0.95 0.50 -0.76 0.00 0.00 175.35 176.26 1o50 s ARG 80 N -3.71 4.78 0.17 1.68 3.52 -1.26 -5.00 118.95 119.13 1o50 s ARG 80 Ca 0.34 1.47 -0.30 0.00 -0.13 0.00 0.00 55.73 57.11 1o50 s ARG 80 Cb 0.08 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 30.07 1o50 s ARG 80 CO 0.17 0.37 1.07 -0.51 -0.81 0.00 0.00 175.30 175.59 1o50 s LEU 81 N -0.61 4.50 0.04 -0.88 1.43 -1.26 -4.96 118.68 116.93 1o50 s LEU 81 Ca 0.44 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1o50 s LEU 81 Cb -0.25 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.37 1o50 s LEU 81 CO 0.31 -0.18 -0.02 -0.38 0.23 0.00 0.00 176.35 176.31 1o50 n ILE 82 N 2.43 0.63 0.21 -0.59 2.08 -1.26 -4.78 119.36 118.08 1o50 n ILE 82 Ca 0.02 0.22 0.09 0.00 0.56 0.00 0.00 62.75 63.64 1o50 n ILE 82 Cb 0.47 -1.36 0.41 0.00 -0.75 0.00 0.00 39.64 38.41 1o50 n ILE 82 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1o50 h ALA 83 N -0.15 1.00 -6.22 -1.39 0.00 -2.03 -3.48 119.26 106.99 1o50 h ALA 83 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 54.91 54.26 1o50 h ALA 83 Cb 0.05 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 17.87 1o50 h ALA 83 CO 0.00 0.33 -0.88 1.63 0.00 0.00 0.00 179.25 180.33 1o50 n LYS 84 N -3.42 -1.22 -4.39 0.00 5.02 -1.26 -4.90 118.16 107.99 1o50 n LYS 84 Ca 0.00 0.56 -0.21 0.00 -2.02 0.00 0.00 58.31 56.64 1o50 n LYS 84 Cb 0.46 -4.05 -0.09 0.00 -0.02 0.00 0.00 35.03 31.33 1o50 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1o50 s ASN 85 N -3.38 1.94 0.24 4.39 2.20 -1.26 -1.45 114.94 117.62 1o50 s ASN 85 Ca 0.40 -1.55 -0.05 0.00 -0.94 0.00 0.00 52.86 50.72 1o50 s ASN 85 Cb -0.14 0.34 0.42 0.00 -2.00 0.00 0.00 41.25 39.86 1o50 s ASN 85 CO 0.86 -0.85 1.76 0.00 -2.94 0.00 0.00 177.10 175.93 1o50 h ALA 86 N 2.10 1.07 0.00 3.54 0.00 -0.87 -2.85 119.26 122.26 1o50 h ALA 86 Ca -0.35 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1o50 h ALA 86 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1o50 h ALA 86 CO 0.56 -0.10 -0.06 0.66 0.00 0.00 0.00 179.25 180.31 1o50 h SER 87 N 0.56 0.00 0.95 0.00 4.64 -1.28 -0.27 113.55 118.15 1o50 h SER 87 Ca 0.40 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.55 1o50 h SER 87 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1o50 h SER 87 CO -0.33 0.06 -0.77 -0.33 -0.87 0.00 0.00 176.83 174.59 1o50 h GLU 88 N 0.00 0.00 -0.00 4.77 5.08 -1.78 -3.36 114.58 119.28 1o50 h GLU 88 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1o50 h GLU 88 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1o50 h GLU 88 CO 0.01 0.77 -0.51 0.44 -1.00 0.00 0.00 179.01 178.72 1o50 n ILE 89 N -3.48 0.00 -2.11 3.13 -5.35 -0.91 -5.06 119.36 105.58 1o50 n ILE 89 Ca -0.00 -0.25 -0.37 0.00 -0.27 0.00 0.00 62.75 61.86 1o50 n ILE 89 Cb 0.78 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.72 1o50 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o50 s MET 90 N -2.03 3.46 0.27 6.28 0.23 -0.16 -4.89 119.30 122.47 1o50 s MET 90 Ca 0.05 1.88 0.08 0.00 -1.03 0.00 0.00 55.69 56.67 1o50 s MET 90 Cb 0.09 -2.27 -0.04 0.00 -1.53 0.00 0.00 34.83 31.08 1o50 s MET 90 CO 0.46 -0.82 0.11 -0.51 -2.03 0.00 0.00 175.02 172.23 1o50 s LEU 91 N -3.36 3.48 0.22 0.18 1.43 -0.31 -4.83 118.68 115.49 1o50 s LEU 91 Ca 0.68 -0.49 -0.32 0.00 -1.03 0.00 0.00 54.13 52.98 1o50 s LEU 91 Cb -0.31 -2.01 -0.13 0.00 0.03 0.00 0.00 46.19 43.77 1o50 s LEU 91 CO 0.37 -0.07 1.57 0.47 0.23 0.00 0.00 176.35 178.92 1o50 n ASP 92 N -1.07 3.39 -4.76 2.29 8.00 -1.26 -0.92 116.55 122.22 1o50 n ASP 92 Ca -0.06 1.11 -0.41 0.00 0.71 0.00 0.00 54.79 56.13 1o50 n ASP 92 Cb 0.59 -1.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.17 1o50 n ASP 92 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1o50 s PRO 93 N 0.32 4.33 -0.20 -0.24 0.04 -1.26 -4.70 135.00 133.29 1o50 s PRO 93 Ca 0.72 2.24 -0.04 0.00 0.04 0.00 0.00 61.00 63.96 1o50 s PRO 93 Cb -0.59 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 1o50 s PRO 93 CO 0.42 -0.26 -0.04 0.08 0.04 0.00 0.00 177.00 177.24 1o50 s VAL 94 N -0.76 3.59 0.18 -0.36 1.01 -1.26 -5.05 120.40 117.75 1o50 s VAL 94 Ca 0.52 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1o50 s VAL 94 Cb -0.40 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1o50 s VAL 94 CO 0.50 0.44 0.12 -0.72 0.00 0.00 0.00 175.10 175.44 1o50 s TYR 95 N 1.06 1.03 0.40 5.22 -0.85 -1.26 -4.44 117.35 118.51 1o50 s TYR 95 Ca 0.01 -1.31 0.05 0.00 -0.52 0.00 0.00 57.07 55.30 1o50 s TYR 95 Cb -0.15 -0.51 -0.06 0.00 0.38 0.00 0.00 41.96 41.63 1o50 s TYR 95 CO 0.00 -0.61 0.03 0.14 -1.52 0.00 0.00 175.55 173.59 1o50 s VAL 96 N -4.12 1.52 0.40 -3.49 -7.23 -0.89 -5.02 120.40 101.58 1o50 s VAL 96 Ca 0.34 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1o50 s VAL 96 Cb 0.07 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1o50 s VAL 96 CO 0.09 0.00 0.06 -1.00 -0.31 0.00 0.00 175.10 173.93 1o50 s HIS 97 N -2.96 2.54 0.36 2.82 3.76 -1.26 -1.37 115.29 119.18 1o50 s HIS 97 Ca 0.31 -0.62 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 1o50 s HIS 97 Cb 0.08 -1.79 0.72 0.00 1.11 0.00 0.00 32.58 32.70 1o50 s HIS 97 CO 0.15 0.38 1.96 0.52 -0.85 0.00 0.00 174.74 176.89 1o50 h MET 98 N 1.68 0.76 -0.02 1.40 2.86 -1.95 -2.33 114.93 117.34 1o50 h MET 98 Ca -0.43 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1o50 h MET 98 Cb 1.25 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1o50 h MET 98 CO 0.76 0.50 -0.03 -0.40 1.06 0.00 0.00 176.91 178.80 1o50 n ASP 99 N -4.48 1.63 -4.73 1.22 3.85 -1.26 -1.01 116.55 111.78 1o50 n ASP 99 Ca 0.11 -1.50 -0.42 0.00 -0.71 0.00 0.00 54.79 52.27 1o50 n ASP 99 Cb 0.22 0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 39.98 1o50 n ASP 99 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1o50 s THR 100 N -2.06 2.38 0.19 2.12 2.01 -0.88 -4.74 115.64 114.67 1o50 s THR 100 Ca 0.35 0.28 -0.33 0.00 0.31 0.00 0.00 61.69 62.31 1o50 s THR 100 Cb 0.21 -3.18 -0.14 0.00 0.01 0.00 0.00 72.50 69.39 1o50 s THR 100 CO 0.35 0.03 1.36 -2.65 -0.69 0.00 0.00 174.62 173.02 1o50 n PRO 101 N 3.57 1.71 -0.31 4.92 -0.02 -1.26 -0.19 135.00 143.42 1o50 n PRO 101 Ca 0.13 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1o50 n PRO 101 Cb 0.38 -2.24 0.27 0.00 -0.02 0.00 0.00 33.50 31.88 1o50 n PRO 101 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1o50 h LEU 102 N 4.28 0.51 -1.30 2.45 5.85 -1.47 -1.70 115.31 123.93 1o50 h LEU 102 Ca -0.45 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 1o50 h LEU 102 Cb 1.30 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1o50 h LEU 102 CO 0.76 0.16 0.11 1.05 -0.34 0.00 0.00 178.44 180.18 1o50 h GLU 103 N 0.57 0.59 -0.27 1.25 4.11 -1.90 -1.13 114.58 117.80 1o50 h GLU 103 Ca 0.51 -0.09 -0.12 0.00 0.07 0.00 0.00 59.36 59.73 1o50 h GLU 103 Cb 0.82 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1o50 h GLU 103 CO -0.42 0.53 -0.33 1.49 0.07 0.00 0.00 179.01 180.35 1o50 h GLU 104 N 0.58 0.58 -0.59 1.06 4.81 -1.70 -2.01 114.58 117.31 1o50 h GLU 104 Ca 0.14 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1o50 h GLU 104 Cb 0.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1o50 h GLU 104 CO -0.01 0.84 0.03 0.00 -0.73 0.00 0.00 179.01 179.14 1o50 h ALA 105 N 1.15 0.93 -0.50 2.92 0.00 -0.93 -1.56 119.26 121.27 1o50 h ALA 105 Ca 0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1o50 h ALA 105 Cb 0.81 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1o50 h ALA 105 CO 0.07 0.65 -0.19 1.25 0.00 0.00 0.00 179.25 181.02 1o50 h LEU 106 N 0.93 1.04 -0.54 0.00 6.46 -1.21 -1.75 115.31 120.25 1o50 h LEU 106 Ca 0.18 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1o50 h LEU 106 Cb 0.50 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1o50 h LEU 106 CO 0.02 1.19 0.30 0.50 -0.62 0.00 0.00 178.44 179.83 1o50 h LYS 107 N 0.88 0.75 -0.30 1.25 3.64 -1.19 -1.35 116.57 120.26 1o50 h LYS 107 Ca 0.12 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1o50 h LYS 107 Cb 0.77 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1o50 h LYS 107 CO 0.06 0.58 0.20 -0.07 -2.27 0.00 0.00 179.45 177.95 1o50 h LEU 108 N 0.73 0.34 -0.08 5.20 3.38 -1.19 0.63 115.31 124.31 1o50 h LEU 108 Ca 0.19 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1o50 h LEU 108 Cb 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1o50 h LEU 108 CO -0.03 0.25 -0.11 0.24 0.09 0.00 0.00 178.44 178.88 1o50 h MET 109 N 0.40 -0.14 0.10 1.13 2.86 -1.09 -2.14 114.93 116.05 1o50 h MET 109 Ca 0.11 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1o50 h MET 109 Cb -0.04 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1o50 h MET 109 CO -0.02 -0.09 -0.05 0.82 1.06 0.00 0.00 176.91 178.63 1o50 h ILE 110 N -0.14 1.02 -0.73 -1.22 2.04 -1.01 0.33 117.51 117.80 1o50 h ILE 110 Ca 0.07 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.54 1o50 h ILE 110 Cb 0.24 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1o50 h ILE 110 CO -0.17 0.11 0.48 0.44 0.00 0.00 0.00 178.15 179.01 1o50 h ASP 111 N -0.34 0.68 -0.03 1.72 3.32 -0.85 -2.43 116.42 118.48 1o50 h ASP 111 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1o50 h ASP 111 Cb 0.29 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1o50 h ASP 111 CO 0.02 0.44 -0.00 0.59 -1.72 0.00 0.00 179.24 178.57 1o50 n ASN 112 N -4.48 2.76 -3.89 6.45 3.02 -0.81 -4.98 115.26 113.33 1o50 n ASN 112 Ca 0.11 -1.92 -0.25 0.00 -0.03 0.00 0.00 54.58 52.49 1o50 n ASN 112 Cb 0.22 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1o50 n ASN 112 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1o50 n ASN 113 N 1.16 -0.77 -4.39 6.41 5.15 -0.00 -5.00 115.26 117.83 1o50 n ASN 113 Ca 0.15 -0.95 -0.21 0.00 -0.60 0.00 0.00 54.58 52.97 1o50 n ASN 113 Cb 0.56 -3.35 -0.10 0.00 -0.53 0.00 0.00 39.78 36.36 1o50 n ASN 113 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1o50 s ILE 114 N -3.84 2.02 -0.08 -1.44 -4.36 -0.55 -4.97 121.20 107.99 1o50 s ILE 114 Ca 0.05 -2.19 0.12 0.00 -0.26 0.00 0.00 60.65 58.36 1o50 s ILE 114 Cb -0.02 -2.08 0.18 0.00 1.25 0.00 0.00 42.46 41.78 1o50 s ILE 114 CO 0.87 -0.44 1.07 0.00 0.24 0.00 0.00 174.94 176.68 1o50 n GLN 115 N -0.25 1.39 -3.64 0.37 6.02 -1.26 -4.48 117.38 115.53 1o50 n GLN 115 Ca -0.09 -2.05 -0.08 0.00 -0.01 0.00 0.00 57.00 54.77 1o50 n GLN 115 Cb 0.59 -1.22 -0.07 0.00 1.02 0.00 0.00 30.24 30.56 1o50 n GLN 115 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1o50 s GLU 116 N -1.98 0.69 0.02 -1.09 2.12 -1.26 -1.37 118.70 115.83 1o50 s GLU 116 Ca 0.20 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.62 1o50 s GLU 116 Cb 0.17 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.73 1o50 s GLU 116 CO 0.02 -0.13 -0.03 -1.64 -0.54 0.00 0.00 175.26 172.94 1o50 s MET 117 N 1.30 0.30 0.38 4.30 -1.94 -0.14 -4.65 119.30 118.85 1o50 s MET 117 Ca -0.07 -0.58 -0.10 0.00 -1.71 0.00 0.00 55.69 53.22 1o50 s MET 117 Cb -0.05 0.09 -0.06 0.00 2.01 0.00 0.00 34.83 36.82 1o50 s MET 117 CO -0.15 -0.04 0.73 -1.25 -0.01 0.00 0.00 175.02 174.30 1o50 s PRO 118 N -1.38 3.78 -0.21 2.03 0.04 -1.26 -0.84 135.00 137.16 1o50 s PRO 118 Ca -0.15 0.43 -0.07 0.00 0.04 0.00 0.00 61.00 61.25 1o50 s PRO 118 Cb -0.09 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1o50 s PRO 118 CO -0.01 0.02 0.05 0.08 0.04 0.00 0.00 177.00 177.18 1o50 s VAL 119 N -2.28 4.39 0.23 -0.36 1.01 -0.30 -2.08 120.40 121.01 1o50 s VAL 119 Ca 0.50 -0.16 0.12 0.00 0.00 0.00 0.00 61.98 62.44 1o50 s VAL 119 Cb -0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1o50 s VAL 119 CO 0.30 0.41 -0.22 0.68 0.00 0.00 0.00 175.10 176.27 1o50 s VAL 120 N 0.91 2.38 0.00 2.92 -7.23 -0.47 -0.96 120.40 117.95 1o50 s VAL 120 Ca 0.03 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1o50 s VAL 120 Cb -0.14 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1o50 s VAL 120 CO 0.02 -0.24 0.00 -0.90 -0.31 0.00 0.00 175.10 173.68 1o50 n ASP 121 N -0.09 0.00 -0.52 4.85 5.68 -0.51 -4.52 116.55 121.44 1o50 n ASP 121 Ca -0.10 -0.19 0.12 0.00 -0.50 0.00 0.00 54.79 54.12 1o50 n ASP 121 Cb 0.58 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.99 1o50 n ASP 121 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1o50 n GLU 122 N -0.19 1.70 -0.59 0.11 4.07 -1.26 -3.59 120.64 120.89 1o50 n GLU 122 Ca 0.00 -1.04 0.06 0.00 -0.06 0.00 0.00 57.16 56.13 1o50 n GLU 122 Cb 0.00 -1.43 0.18 0.00 -0.06 0.00 0.00 31.44 30.13 1o50 n GLU 122 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1o50 n LYS 123 N 0.26 1.35 -1.32 5.31 2.85 -1.26 -4.97 118.16 120.37 1o50 n LYS 123 Ca 0.17 -3.01 -0.08 0.00 -1.05 0.00 0.00 58.31 54.35 1o50 n LYS 123 Cb 0.34 -1.42 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 1o50 n LYS 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1o50 n GLY 124 N -1.00 0.88 3.66 2.58 0.00 -1.24 -4.92 105.19 105.16 1o50 n GLY 124 Ca 0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1o50 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o50 s GLU 125 N -2.83 2.80 -0.17 1.61 2.02 -1.26 -0.80 118.70 120.06 1o50 s GLU 125 Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 1o50 s GLU 125 Cb 0.00 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 1o50 s GLU 125 CO 0.00 0.65 1.15 0.42 0.02 0.00 0.00 175.26 177.50 1o50 s ILE 126 N -0.99 4.47 -0.11 -1.63 1.01 -1.26 -1.42 121.20 121.27 1o50 s ILE 126 Ca 0.17 1.78 0.02 0.00 0.00 0.00 0.00 60.65 62.61 1o50 s ILE 126 Cb -0.11 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 1o50 s ILE 126 CO 0.07 -0.13 0.15 1.33 0.00 0.00 0.00 174.94 176.36 1o50 n VAL 127 N 5.21 0.00 -3.88 2.92 0.24 -0.14 -4.96 118.33 117.72 1o50 n VAL 127 Ca 0.12 -0.46 0.01 0.00 -2.04 0.00 0.00 64.34 61.97 1o50 n VAL 127 Cb 0.46 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 33.84 1o50 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1o50 n GLY 128 N 0.90 0.52 3.05 7.63 0.00 -1.06 -4.99 105.19 111.24 1o50 n GLY 128 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1o50 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o50 s ASP 129 N -2.34 0.24 -0.02 1.61 2.15 -1.26 -1.15 116.67 115.90 1o50 s ASP 129 Ca 0.14 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.57 1o50 s ASP 129 Cb -0.01 0.16 0.02 0.00 -0.30 0.00 0.00 42.92 42.80 1o50 s ASP 129 CO 0.00 -0.41 0.00 -0.22 -0.17 0.00 0.00 175.17 174.37 1o50 s LEU 130 N -1.86 1.33 0.31 -1.34 2.96 -0.02 -4.65 118.68 115.41 1o50 s LEU 130 Ca -0.09 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1o50 s LEU 130 Cb -0.04 -0.16 -0.06 0.00 0.50 0.00 0.00 46.19 46.42 1o50 s LEU 130 CO -0.03 -0.08 0.00 0.54 -1.32 0.00 0.00 176.35 175.46 1o50 s ASN 131 N 0.80 2.65 0.52 3.68 2.20 -1.26 -0.97 114.94 122.56 1o50 s ASN 131 Ca -0.08 -1.29 0.21 0.00 -0.94 0.00 0.00 52.86 50.76 1o50 s ASN 131 Cb -0.11 -0.15 1.31 0.00 -2.00 0.00 0.00 41.25 40.31 1o50 s ASN 131 CO -0.02 -0.48 2.05 0.77 -2.94 0.00 0.00 177.10 176.49 1o50 h SER 132 N 2.17 0.04 -0.01 3.54 4.64 -1.59 -2.51 113.55 119.84 1o50 h SER 132 Ca -0.41 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 1o50 h SER 132 Cb 1.24 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1o50 h SER 132 CO 0.70 0.03 -0.53 -0.07 -0.87 0.00 0.00 176.83 176.08 1o50 h LEU 133 N 0.05 0.64 -0.87 5.97 3.38 -1.96 -1.28 115.31 121.25 1o50 h LEU 133 Ca 0.17 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1o50 h LEU 133 Cb 0.60 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1o50 h LEU 133 CO -0.01 1.05 0.52 -0.33 0.09 0.00 0.00 178.44 179.76 1o50 h GLU 134 N 0.45 1.18 -0.42 1.13 5.08 -1.79 -0.06 114.58 120.15 1o50 h GLU 134 Ca 0.01 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1o50 h GLU 134 Cb 1.07 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1o50 h GLU 134 CO 0.10 0.84 0.11 0.82 -1.00 0.00 0.00 179.01 179.88 1o50 h ILE 135 N 1.20 1.23 -0.58 3.13 2.04 -1.40 -1.83 117.51 121.29 1o50 h ILE 135 Ca 0.31 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1o50 h ILE 135 Cb -0.04 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1o50 h ILE 135 CO -0.06 0.27 0.29 -0.07 0.00 0.00 0.00 178.15 178.58 1o50 h LEU 136 N 0.54 0.75 0.26 1.44 3.38 -0.97 -1.72 115.31 119.00 1o50 h LEU 136 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1o50 h LEU 136 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1o50 h LEU 136 CO -0.00 0.66 -0.31 0.25 0.09 0.00 0.00 178.44 179.13 1o50 h LEU 137 N 0.79 -0.85 -0.54 1.67 6.46 -0.90 -1.23 115.31 120.70 1o50 h LEU 137 Ca 0.20 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 58.15 1o50 h LEU 137 Cb 0.10 0.30 -0.09 0.00 -0.73 0.00 0.00 40.66 40.24 1o50 h LEU 137 CO -0.03 -0.43 -0.02 0.00 -0.62 0.00 0.00 178.44 177.34 1o50 h ALA 138 N -0.04 0.49 -0.17 1.25 0.00 -1.17 0.26 119.26 119.89 1o50 h ALA 138 Ca -0.00 0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1o50 h ALA 138 Cb 0.58 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1o50 h ALA 138 CO -0.09 -0.40 -0.67 -0.07 0.00 0.00 0.00 179.25 178.02 1o50 h LEU 139 N 0.09 0.88 0.00 0.00 3.38 -1.11 -2.92 115.31 115.64 1o50 h LEU 139 Ca 0.28 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1o50 h LEU 139 Cb 0.43 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1o50 h LEU 139 CO -0.48 1.35 -1.52 0.79 0.09 0.00 0.00 178.44 178.67 1o50 n TRP 140 N -4.02 0.32 0.31 1.13 7.02 -0.48 -4.08 117.44 117.63 1o50 n TRP 140 Ca -0.07 0.09 0.11 0.00 -1.02 0.00 0.00 57.50 56.62 1o50 n TRP 140 Cb 0.69 -0.60 0.02 0.00 -2.42 0.00 0.00 31.31 29.01 1o50 n TRP 140 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1o50 n LYS 141 N -2.29 0.47 -2.53 -0.99 4.76 0.07 -4.93 118.16 112.71 1o50 n LYS 141 Ca -0.02 0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.23 1o50 n LYS 141 Cb 0.53 -1.71 0.12 0.00 -1.84 0.00 0.00 35.03 32.14 1o50 n LYS 141 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1o50 s GLY 142 N -4.06 1.76 0.17 0.72 0.00 -1.10 -5.02 107.32 99.79 1o50 s GLY 142 Ca 0.01 -1.74 -0.31 0.00 0.00 0.00 0.00 44.72 42.69 1o50 s GLY 142 CO 0.79 -1.12 1.36 -1.60 0.00 0.00 0.00 173.10 172.53 1o50 s ARG 143 N -5.25 4.34 0.10 2.90 3.52 -1.26 -4.93 118.95 118.37 1o50 s ARG 143 Ca 0.68 2.10 -0.17 0.00 -0.13 0.00 0.00 55.73 58.20 1o50 s ARG 143 Cb -0.05 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 1o50 s ARG 143 CO 0.46 -0.35 1.58 1.49 -0.81 0.00 0.00 175.30 177.67 1o50 h GLU 144 N 5.92 0.51 -0.00 5.12 4.81 -1.94 -3.50 114.58 125.50 1o50 h GLU 144 Ca -0.44 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1o50 h GLU 144 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1o50 h GLU 144 CO 0.81 0.60 0.00 1.17 -0.73 0.00 0.00 179.01 180.87