#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfa s LYS 2 N 0.00 0.49 0.00 2.12 -2.85 -1.26 -4.62 119.74 113.62 1nfa s LYS 2 Ca 0.00 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 1nfa s LYS 2 Cb 0.00 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 1nfa s LYS 2 CO 0.00 -0.11 0.00 -3.47 0.10 0.00 0.00 175.35 171.87 1nfa n ASP 3 N 3.48 0.00 0.01 0.03 2.03 -1.26 -4.97 116.55 115.86 1nfa n ASP 3 Ca -0.18 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.96 1nfa n ASP 3 Cb 0.56 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.83 1nfa n ASP 3 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1nfa h TRP 4 N 0.00 0.41 -0.01 -0.67 5.08 -2.08 -3.46 115.95 115.21 1nfa h TRP 4 Ca 0.00 -0.27 0.07 0.00 1.08 0.00 0.00 58.89 59.77 1nfa h TRP 4 Cb 0.00 -0.03 -0.15 0.00 -3.00 0.00 0.00 29.16 25.98 1nfa h TRP 4 CO 0.00 1.17 -0.04 -1.14 -1.28 0.00 0.00 178.44 177.14 1nfa s GLN 5 N -2.63 0.01 -0.41 0.12 0.74 -1.26 -5.08 119.66 111.15 1nfa s GLN 5 Ca -0.15 -0.01 0.05 0.00 0.05 0.00 0.00 55.36 55.30 1nfa s GLN 5 Cb 0.01 -0.00 0.30 0.00 1.10 0.00 0.00 33.01 34.42 1nfa s GLN 5 CO 0.79 -0.02 1.18 -0.11 -0.55 0.00 0.00 175.29 176.58 1nfa n LEU 6 N 2.66 -2.01 -4.56 3.68 -0.00 -1.26 -5.07 117.00 110.44 1nfa n LEU 6 Ca 0.09 -2.92 -0.39 0.00 -0.00 0.00 0.00 56.01 52.79 1nfa n LEU 6 Cb 0.67 0.90 -0.03 0.00 -0.00 0.00 0.00 43.42 44.95 1nfa n LEU 6 CO -0.13 1.88 1.36 -2.16 -0.00 0.00 0.00 177.39 178.34 1nfa s PRO 7 N 0.26 3.24 -0.36 1.96 0.04 -1.26 -4.19 135.00 134.69 1nfa s PRO 7 Ca 0.24 -0.54 0.13 0.00 0.04 0.00 0.00 61.00 60.86 1nfa s PRO 7 Cb 0.27 -4.80 0.42 0.00 0.04 0.00 0.00 34.50 30.43 1nfa s PRO 7 CO -0.13 -2.37 1.32 -1.13 0.04 0.00 0.00 177.00 174.74 1nfa n SER 8 N 10.00 -0.95 -4.32 6.66 3.41 -1.26 -5.09 113.62 122.06 1nfa n SER 8 Ca 0.22 -2.40 -0.37 0.00 -0.26 0.00 0.00 58.87 56.06 1nfa n SER 8 Cb 0.50 0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 64.87 1nfa n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1nfa s HIS 9 N -0.70 3.15 -0.39 7.33 2.46 -1.26 -4.94 115.29 120.94 1nfa s HIS 9 Ca 0.20 -1.08 0.11 0.00 0.47 0.00 0.00 55.06 54.75 1nfa s HIS 9 Cb 0.42 -2.24 0.39 0.00 -0.13 0.00 0.00 32.58 31.02 1nfa s HIS 9 CO -0.08 -0.61 1.20 0.43 -2.47 0.00 0.00 174.74 173.22 1nfa n SER 10 N 4.84 -1.13 -2.70 9.88 7.64 -1.26 -5.02 113.62 125.87 1nfa n SER 10 Ca -0.14 -2.73 -0.02 0.00 1.01 0.00 0.00 58.87 56.98 1nfa n SER 10 Cb 0.47 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 1nfa n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfa n GLY 11 N -0.29 -1.11 0.00 0.23 0.00 -1.26 -5.04 105.19 97.72 1nfa n GLY 11 Ca 0.02 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1nfa n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nfa n PRO 12 N -1.17 0.71 -1.68 1.61 -0.04 -1.26 -4.96 135.00 128.21 1nfa n PRO 12 Ca 0.03 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 1nfa n PRO 12 Cb 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1nfa n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nfa n TYR 13 N -0.59 1.71 -3.66 0.54 4.01 -1.26 -4.83 117.16 113.08 1nfa n TYR 13 Ca 0.00 0.47 -0.06 0.00 -0.16 0.00 0.00 57.90 58.15 1nfa n TYR 13 Cb 0.00 -2.29 -0.07 0.00 -0.31 0.00 0.00 39.34 36.67 1nfa n TYR 13 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1nfa s GLU 14 N -2.54 0.53 -0.92 -0.72 2.02 -1.25 -4.97 118.70 110.86 1nfa s GLU 14 Ca 0.69 1.21 -0.04 0.00 0.02 0.00 0.00 54.97 56.85 1nfa s GLU 14 Cb -0.46 0.43 0.23 0.00 0.10 0.00 0.00 34.13 34.43 1nfa s GLU 14 CO 0.52 -0.19 0.83 -1.17 0.02 0.00 0.00 175.26 175.27 1nfa s LEU 15 N 2.28 5.77 0.23 1.80 2.96 -1.26 -2.56 118.68 127.90 1nfa s LEU 15 Ca -0.07 -3.57 0.10 0.00 -0.22 0.00 0.00 54.13 50.38 1nfa s LEU 15 Cb -0.10 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1nfa s LEU 15 CO -0.17 -0.24 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.89 1nfa s ARG 16 N -1.14 1.94 0.61 1.98 3.52 -1.26 -4.87 118.95 119.72 1nfa s ARG 16 Ca 0.27 -1.47 -0.19 0.00 -0.13 0.00 0.00 55.73 54.21 1nfa s ARG 16 Cb -0.09 -2.01 -0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1nfa s ARG 16 CO -0.10 0.39 1.25 0.42 -0.81 0.00 0.00 175.30 176.44 1nfa s ILE 17 N -2.04 2.35 0.15 4.11 1.09 -1.26 -3.95 121.20 121.65 1nfa s ILE 17 Ca 0.27 0.22 -0.13 0.00 -1.10 0.00 0.00 60.65 59.92 1nfa s ILE 17 Cb -0.07 -3.09 0.04 0.00 -1.06 0.00 0.00 42.46 38.27 1nfa s ILE 17 CO 0.15 -0.05 1.66 -0.08 -0.10 0.00 0.00 174.94 176.53 1nfa h GLU 18 N 0.78 0.84 -2.59 2.79 4.22 -1.53 -3.44 114.58 115.65 1nfa h GLU 18 Ca -0.51 -0.20 -0.11 0.00 0.08 0.00 0.00 59.36 58.62 1nfa h GLU 18 Cb 1.31 -0.11 -0.27 0.00 0.50 0.00 0.00 28.75 30.19 1nfa h GLU 18 CO 0.54 0.80 -0.32 0.08 -2.18 0.00 0.00 179.01 177.94 1nfa s VAL 19 N -5.29 -0.22 -0.80 0.32 1.01 -1.26 -5.04 120.40 109.11 1nfa s VAL 19 Ca -0.13 0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1nfa s VAL 19 Cb 0.12 -0.63 0.20 0.00 0.00 0.00 0.00 36.38 36.07 1nfa s VAL 19 CO 0.80 0.05 0.67 0.00 0.00 0.00 0.00 175.10 176.62 1nfa n GLN 20 N 4.63 2.32 -1.64 2.72 1.13 -1.26 -3.90 117.38 121.37 1nfa n GLN 20 Ca -0.18 -4.50 -0.28 0.00 -1.94 0.00 0.00 57.00 50.09 1nfa n GLN 20 Cb 0.53 -2.35 0.21 0.00 0.11 0.00 0.00 30.24 28.74 1nfa n GLN 20 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1nfa n PRO 21 N 2.01 -1.63 -2.01 -1.09 -0.04 -1.26 -4.93 135.00 126.05 1nfa n PRO 21 Ca 0.22 -1.90 -0.43 0.00 -0.04 0.00 0.00 63.50 61.35 1nfa n PRO 21 Cb 0.36 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1nfa n PRO 21 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1nfa s LYS 22 N -5.69 3.68 -0.40 0.54 -2.85 -1.26 -4.90 119.74 108.86 1nfa s LYS 22 Ca 0.71 1.73 0.07 0.00 -1.00 0.00 0.00 55.97 57.48 1nfa s LYS 22 Cb -0.03 -4.11 0.23 0.00 -2.06 0.00 0.00 37.83 31.86 1nfa s LYS 22 CO 0.51 -1.44 0.48 0.45 0.10 0.00 0.00 175.35 175.45 1nfa n SER 23 N 9.01 0.13 -5.00 0.03 2.88 -1.26 -3.36 113.62 116.05 1nfa n SER 23 Ca 0.21 -2.64 -0.18 0.00 -1.33 0.00 0.00 58.87 54.92 1nfa n SER 23 Cb 0.45 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1nfa n SER 23 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1nfa s HIS 24 N -0.92 3.01 -0.25 0.66 -3.43 -1.26 -4.91 115.29 108.18 1nfa s HIS 24 Ca 0.35 -0.26 -0.03 0.00 -0.80 0.00 0.00 55.06 54.32 1nfa s HIS 24 Cb 0.14 -2.15 0.08 0.00 -1.43 0.00 0.00 32.58 29.22 1nfa s HIS 24 CO -0.13 -0.17 0.09 -1.58 -2.00 0.00 0.00 174.74 170.94 1nfa s HIS 25 N -2.25 0.96 -1.31 0.38 2.46 -1.26 -4.71 115.29 109.56 1nfa s HIS 25 Ca 0.49 -1.08 -0.18 0.00 0.47 0.00 0.00 55.06 54.76 1nfa s HIS 25 Cb -0.10 -1.17 0.05 0.00 -0.13 0.00 0.00 32.58 31.23 1nfa s HIS 25 CO 0.32 -0.74 1.85 -2.13 -2.47 0.00 0.00 174.74 171.57 1nfa n ARG 26 N 5.06 2.98 -1.56 2.88 0.63 -1.26 -4.90 116.66 120.50 1nfa n ARG 26 Ca -0.06 -3.06 -0.21 0.00 -0.92 0.00 0.00 57.85 53.60 1nfa n ARG 26 Cb 0.44 -3.46 -0.06 0.00 0.45 0.00 0.00 32.46 29.83 1nfa n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nfa s ALA 27 N 4.52 0.99 0.00 5.13 0.00 -1.26 -4.09 121.76 127.06 1nfa s ALA 27 Ca 0.54 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1nfa s ALA 27 Cb 0.06 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1nfa s ALA 27 CO 0.05 -5.45 0.00 1.58 0.00 0.00 0.00 175.76 171.94 1nfa n HIS 28 N 17.83 0.00 -2.43 0.00 -0.00 -1.26 -5.14 115.22 124.22 1nfa n HIS 28 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1nfa n HIS 28 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1nfa n HIS 28 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1nfa n TYR 29 N 0.00 -2.87 -2.28 1.57 4.01 -1.26 -5.05 117.16 111.28 1nfa n TYR 29 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1nfa n TYR 29 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1nfa n TYR 29 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1nfa s GLU 30 N -1.73 3.85 -0.23 -0.72 2.02 -1.26 -4.95 118.70 115.68 1nfa s GLU 30 Ca 0.00 1.78 0.20 0.00 0.02 0.00 0.00 54.97 56.97 1nfa s GLU 30 Cb 0.00 -2.48 0.46 0.00 0.10 0.00 0.00 34.13 32.20 1nfa s GLU 30 CO 0.00 -0.47 1.20 -2.37 0.02 0.00 0.00 175.26 173.64 1nfa n THR 31 N -0.32 0.78 -1.09 3.63 5.66 -1.26 -4.76 114.28 116.91 1nfa n THR 31 Ca 0.06 -2.14 0.09 0.00 -3.05 0.00 0.00 64.05 59.02 1nfa n THR 31 Cb 0.48 1.17 0.18 0.00 -1.55 0.00 0.00 70.33 70.60 1nfa n THR 31 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1nfa n GLU 32 N -0.63 1.75 0.00 1.09 0.00 -1.26 -4.85 120.64 116.75 1nfa n GLU 32 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 57.16 54.45 1nfa n GLU 32 Cb 0.86 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 30.69 1nfa n GLU 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nfa n GLY 33 N -1.17 -0.14 3.92 -1.84 0.00 -1.26 -5.13 105.19 99.57 1nfa n GLY 33 Ca 0.18 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1nfa n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nfa s SER 34 N -2.00 6.38 0.00 1.61 0.01 -1.26 -5.07 113.70 113.37 1nfa s SER 34 Ca 0.00 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1nfa s SER 34 Cb 0.00 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1nfa s SER 34 CO 0.00 0.14 0.00 0.54 0.41 0.00 0.00 173.24 174.33 1nfa n ARG 35 N 0.17 0.00 0.00 12.44 1.74 -1.26 -4.51 116.66 125.24 1nfa n ARG 35 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1nfa n ARG 35 Cb 0.51 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 1nfa n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfa n GLY 36 N 2.99 1.17 3.63 -0.13 0.00 -1.26 -4.92 105.19 106.66 1nfa n GLY 36 Ca 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.87 1nfa n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfa s ALA 37 N -1.40 -2.21 0.03 4.61 0.00 -1.26 -5.03 121.76 116.49 1nfa s ALA 37 Ca 0.00 0.66 -0.32 0.00 0.00 0.00 0.00 51.96 52.30 1nfa s ALA 37 Cb 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 23.12 23.39 1nfa s ALA 37 CO 0.00 -1.06 1.85 1.55 0.00 0.00 0.00 175.76 178.11 1nfa n VAL 38 N -0.49 0.49 -3.28 0.00 3.14 -1.26 -4.94 118.33 111.98 1nfa n VAL 38 Ca -0.08 -0.09 -0.05 0.00 -2.96 0.00 0.00 64.34 61.16 1nfa n VAL 38 Cb 0.63 -2.00 -0.06 0.00 -1.06 0.00 0.00 33.84 31.35 1nfa n VAL 38 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1nfa s LYS 39 N 3.38 0.43 0.00 1.45 -2.85 -1.26 -4.51 119.74 116.38 1nfa s LYS 39 Ca 0.87 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 56.54 1nfa s LYS 39 Cb -0.57 -0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.08 1nfa s LYS 39 CO 0.44 -0.64 0.00 0.00 0.10 0.00 0.00 175.35 175.25 1nfa n ALA 40 N 5.39 0.84 -2.80 0.59 0.00 -1.26 -4.74 120.51 118.53 1nfa n ALA 40 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 1nfa n ALA 40 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1nfa n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nfa s SER 41 N 1.00 5.88 -0.01 0.00 0.01 -1.21 -4.20 113.70 115.16 1nfa s SER 41 Ca 0.00 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1nfa s SER 41 Cb 0.00 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.31 1nfa s SER 41 CO 0.00 0.29 0.00 0.00 0.41 0.00 0.00 173.24 173.94 1nfa n ALA 42 N 2.74 -0.00 0.00 1.44 0.00 -1.26 -1.48 120.51 121.95 1nfa n ALA 42 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nfa n ALA 42 Cb 0.53 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1nfa n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nfa n GLY 43 N -0.50 1.02 1.69 0.00 0.00 -1.26 -4.70 105.19 101.45 1nfa n GLY 43 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1nfa n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfa n GLY 44 N -1.92 -1.55 3.30 -0.02 0.00 -0.55 -4.25 105.19 100.20 1nfa n GLY 44 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1nfa n GLY 44 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nfa s HIS 45 N -0.90 -0.01 0.37 1.61 -3.43 -1.25 -4.74 115.29 106.94 1nfa s HIS 45 Ca 0.02 0.02 -0.24 0.00 -0.80 0.00 0.00 55.06 54.07 1nfa s HIS 45 Cb -0.01 0.01 -0.10 0.00 -1.43 0.00 0.00 32.58 31.05 1nfa s HIS 45 CO 0.11 -0.01 0.96 -1.25 -2.00 0.00 0.00 174.74 172.56 1nfa s PRO 46 N 1.71 4.39 -0.12 -0.38 0.04 -1.26 -4.86 135.00 134.52 1nfa s PRO 46 Ca -0.02 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 1nfa s PRO 46 Cb -0.01 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 1nfa s PRO 46 CO -0.14 0.10 0.25 0.96 0.04 0.00 0.00 177.00 178.21 1nfa s ILE 47 N -1.82 5.33 -0.10 0.56 -4.36 -1.25 -3.05 121.20 116.51 1nfa s ILE 47 Ca 0.56 0.45 0.03 0.00 -0.26 0.00 0.00 60.65 61.43 1nfa s ILE 47 Cb -0.16 -3.55 -0.00 0.00 1.25 0.00 0.00 42.46 39.99 1nfa s ILE 47 CO 0.21 0.51 -0.22 -0.69 0.24 0.00 0.00 174.94 174.98 1nfa s VAL 48 N -0.32 2.29 -0.30 8.37 1.01 -0.79 -1.40 120.40 129.27 1nfa s VAL 48 Ca 0.16 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1nfa s VAL 48 Cb -0.13 -1.89 0.15 0.00 0.00 0.00 0.00 36.38 34.51 1nfa s VAL 48 CO 0.05 0.55 0.69 0.00 0.00 0.00 0.00 175.10 176.39 1nfa s GLN 49 N 0.26 0.54 0.18 2.72 -2.07 -1.25 -2.05 119.66 117.98 1nfa s GLN 49 Ca -0.15 1.26 -0.30 0.00 -1.82 0.00 0.00 55.36 54.35 1nfa s GLN 49 Cb -0.17 0.75 -0.07 0.00 -1.09 0.00 0.00 33.01 32.43 1nfa s GLN 49 CO 0.08 -0.27 1.05 -1.17 -1.32 0.00 0.00 175.29 173.65 1nfa s LEU 50 N 2.84 4.52 -0.37 2.60 0.20 -1.26 -4.27 118.68 122.94 1nfa s LEU 50 Ca -0.00 2.02 0.01 0.00 0.69 0.00 0.00 54.13 56.85 1nfa s LEU 50 Cb -0.12 -3.60 0.15 0.00 -0.43 0.00 0.00 46.19 42.19 1nfa s LEU 50 CO -0.19 -0.13 0.26 -1.38 -0.29 0.00 0.00 176.35 174.62 1nfa s HIS 51 N -0.37 0.67 0.00 5.38 -3.43 -1.06 -4.78 115.29 111.70 1nfa s HIS 51 Ca 0.47 -1.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.03 1nfa s HIS 51 Cb -0.28 -0.84 0.00 0.00 -1.43 0.00 0.00 32.58 30.03 1nfa s HIS 51 CO 0.34 -0.85 0.00 0.41 -2.00 0.00 0.00 174.74 172.64 1nfa n GLY 52 N 3.76 -1.80 0.00 -1.38 0.00 -1.26 -3.79 105.19 100.72 1nfa n GLY 52 Ca 0.16 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1nfa n GLY 52 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nfa n TYR 53 N 0.00 0.00 -1.04 1.61 4.19 -1.26 -4.20 117.16 116.46 1nfa n TYR 53 Ca 0.00 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.22 1nfa n TYR 53 Cb 0.00 0.00 0.31 0.00 0.49 0.00 0.00 39.34 40.14 1nfa n TYR 53 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1nfa n LEU 54 N 0.00 5.32 -4.83 2.98 4.77 -1.26 -4.27 117.00 119.71 1nfa n LEU 54 Ca 0.00 -3.15 -0.35 0.00 -0.03 0.00 0.00 56.01 52.47 1nfa n LEU 54 Cb 0.00 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 1nfa n LEU 54 CO 0.00 0.77 0.35 -0.70 -1.33 0.00 0.00 177.39 176.48 1nfa s GLU 55 N -2.93 4.13 -0.43 3.23 -6.30 -1.26 -4.96 118.70 110.18 1nfa s GLU 55 Ca 0.51 0.71 -0.03 0.00 -2.50 0.00 0.00 54.97 53.67 1nfa s GLU 55 Cb 0.41 -2.86 0.13 0.00 0.00 0.00 0.00 34.13 31.81 1nfa s GLU 55 CO 0.12 0.40 2.50 0.27 0.02 0.00 0.00 175.26 178.57 1nfa n ASN 56 N 0.64 6.54 -4.13 -1.70 2.04 -1.26 -4.58 115.26 112.81 1nfa n ASN 56 Ca -0.03 -3.20 -0.30 0.00 -0.44 0.00 0.00 54.58 50.62 1nfa n ASN 56 Cb 0.51 -1.17 -0.17 0.00 -2.53 0.00 0.00 39.78 36.43 1nfa n ASN 56 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 1nfa s GLU 57 N -1.87 2.58 0.46 -3.83 -1.05 -1.26 -5.12 118.70 108.61 1nfa s GLU 57 Ca 0.50 -0.70 -0.20 0.00 -0.15 0.00 0.00 54.97 54.42 1nfa s GLU 57 Cb 0.35 -2.05 -0.10 0.00 -0.44 0.00 0.00 34.13 31.88 1nfa s GLU 57 CO -0.15 0.05 0.97 -1.25 0.95 0.00 0.00 175.26 175.83 1nfa s PRO 58 N 0.67 4.10 0.01 -4.83 0.04 -1.26 -4.79 135.00 128.94 1nfa s PRO 58 Ca -0.12 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.07 1nfa s PRO 58 Cb -0.16 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1nfa s PRO 58 CO 0.03 -0.14 -0.15 -0.51 0.04 0.00 0.00 177.00 176.27 1nfa s LEU 59 N -3.45 2.10 -0.69 -3.56 1.43 -0.45 -4.95 118.68 109.11 1nfa s LEU 59 Ca 0.62 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1nfa s LEU 59 Cb -0.10 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1nfa s LEU 59 CO 0.19 0.13 1.25 0.00 0.23 0.00 0.00 176.35 178.15 1nfa s MET 60 N -0.74 3.30 0.29 1.70 0.23 -1.26 -1.91 119.30 120.90 1nfa s MET 60 Ca 0.05 -0.07 -0.30 0.00 -1.03 0.00 0.00 55.69 54.33 1nfa s MET 60 Cb -0.07 -4.13 -0.12 0.00 -1.53 0.00 0.00 34.83 28.99 1nfa s MET 60 CO 0.00 -2.00 1.60 -0.11 -2.03 0.00 0.00 175.02 172.48 1nfa n LEU 61 N 9.08 4.35 -4.28 0.18 0.00 -0.10 -4.65 117.00 121.59 1nfa n LEU 61 Ca 0.05 1.15 -0.44 0.00 0.00 0.00 0.00 56.01 56.76 1nfa n LEU 61 Cb 0.49 -1.59 -0.05 0.00 0.00 0.00 0.00 43.42 42.26 1nfa n LEU 61 CO 0.71 0.14 0.16 -1.58 0.00 0.00 0.00 177.39 176.83 1nfa s GLN 62 N -0.51 2.98 -0.02 1.96 2.00 -1.08 -2.80 119.66 122.19 1nfa s GLN 62 Ca 0.64 -1.95 0.06 0.00 -2.00 0.00 0.00 55.36 52.11 1nfa s GLN 62 Cb -0.50 -4.20 -0.01 0.00 0.80 0.00 0.00 33.01 29.09 1nfa s GLN 62 CO 0.49 -1.28 -0.21 -1.17 -0.50 0.00 0.00 175.29 172.61 1nfa s LEU 63 N 1.10 2.03 0.00 3.68 2.96 -0.94 -3.66 118.68 123.85 1nfa s LEU 63 Ca 0.08 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1nfa s LEU 63 Cb -0.24 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1nfa s LEU 63 CO -0.01 0.25 0.00 2.22 -1.32 0.00 0.00 176.35 177.49 1nfa n PHE 64 N 2.63 -0.39 -3.98 5.38 -1.74 -1.26 -0.48 117.46 117.63 1nfa n PHE 64 Ca -0.16 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.43 1nfa n PHE 64 Cb 0.53 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.36 1nfa n PHE 64 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 1nfa s ILE 65 N -3.00 1.52 0.04 1.97 1.10 -1.26 -4.10 121.20 117.46 1nfa s ILE 65 Ca 0.00 -0.87 0.03 0.00 -0.51 0.00 0.00 60.65 59.30 1nfa s ILE 65 Cb 0.00 -1.59 -0.02 0.00 0.15 0.00 0.00 42.46 41.00 1nfa s ILE 65 CO 0.00 0.21 -0.08 -0.83 -2.11 0.00 0.00 174.94 172.12 1nfa s GLY 66 N 1.46 0.52 0.48 1.50 0.00 -1.17 -3.30 107.32 106.81 1nfa s GLY 66 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 1nfa s GLY 66 CO -0.08 -0.73 0.86 -0.51 0.00 0.00 0.00 173.10 172.63 1nfa s THR 67 N -1.13 4.74 -0.29 0.90 -4.23 -0.66 -0.42 115.64 114.54 1nfa s THR 67 Ca -0.06 0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 61.08 1nfa s THR 67 Cb -0.09 -3.77 0.13 0.00 1.34 0.00 0.00 72.50 70.11 1nfa s THR 67 CO 0.01 -0.71 0.63 0.00 -0.54 0.00 0.00 174.62 174.01 1nfa s ALA 68 N -2.61 -1.98 -0.94 3.99 0.00 -1.26 -2.76 121.76 116.20 1nfa s ALA 68 Ca 0.53 2.29 0.27 0.00 0.00 0.00 0.00 51.96 55.05 1nfa s ALA 68 Cb -0.10 -1.73 0.81 0.00 0.00 0.00 0.00 23.12 22.10 1nfa s ALA 68 CO 0.37 -0.90 1.64 -0.25 0.00 0.00 0.00 175.76 176.63 1nfa n ASP 69 N 5.40 0.34 0.00 0.00 9.92 -1.26 -4.73 116.55 126.22 1nfa n ASP 69 Ca -0.12 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1nfa n ASP 69 Cb 0.49 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1nfa n ASP 69 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nfa n ASP 70 N -1.63 0.00 0.00 -2.24 8.00 -1.26 -5.03 116.55 114.40 1nfa n ASP 70 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1nfa n ASP 70 Cb 0.36 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1nfa n ASP 70 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1nfa n ARG 71 N -1.65 0.00 -1.53 -1.24 0.00 -1.26 -5.05 116.66 105.93 1nfa n ARG 71 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1nfa n ARG 71 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 1nfa n ARG 71 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1nfa n LEU 72 N -0.78 0.80 -4.33 6.15 -0.00 -1.26 -4.88 117.00 112.70 1nfa n LEU 72 Ca 0.00 -1.27 -0.31 0.00 -0.00 0.00 0.00 56.01 54.43 1nfa n LEU 72 Cb 0.00 -1.33 0.20 0.00 -0.00 0.00 0.00 43.42 42.28 1nfa n LEU 72 CO 0.00 -2.33 -0.25 0.00 -0.00 0.00 0.00 177.39 174.81 1nfa n LEU 73 N 14.85 -2.03 -3.61 1.47 -0.00 -1.26 -4.59 117.00 121.82 1nfa n LEU 73 Ca 0.52 -0.12 -0.05 0.00 -0.00 0.00 0.00 56.01 56.36 1nfa n LEU 73 Cb 0.35 -1.05 -0.03 0.00 -0.00 0.00 0.00 43.42 42.69 1nfa n LEU 73 CO 0.70 -3.16 1.01 -0.13 -0.00 0.00 0.00 177.39 175.81 1nfa s ARG 74 N -3.71 0.28 -0.28 1.47 0.52 -1.11 -4.94 118.95 111.19 1nfa s ARG 74 Ca 0.59 -0.03 -0.29 0.00 -0.52 0.00 0.00 55.73 55.49 1nfa s ARG 74 Cb -0.16 0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.45 1nfa s ARG 74 CO 0.66 -0.11 1.19 -1.25 0.02 0.00 0.00 175.30 175.81 1nfa s PRO 75 N -1.76 4.06 0.76 3.54 0.04 -1.26 -1.65 135.00 138.73 1nfa s PRO 75 Ca 0.07 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.23 1nfa s PRO 75 Cb -0.01 -3.78 -0.00 0.00 0.04 0.00 0.00 34.50 30.75 1nfa s PRO 75 CO -0.05 -0.92 0.74 1.58 0.04 0.00 0.00 177.00 178.40 1nfa n HIS 76 N 7.03 -0.14 0.00 0.56 -0.00 -1.21 -4.77 115.22 116.69 1nfa n HIS 76 Ca 0.13 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.67 1nfa n HIS 76 Cb 0.46 -1.98 0.00 0.00 -0.12 0.00 0.00 29.99 28.36 1nfa n HIS 76 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nfa n ALA 77 N -2.67 -0.27 -0.84 1.57 0.00 -1.26 -4.38 120.51 112.66 1nfa n ALA 77 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1nfa n ALA 77 Cb 0.50 0.13 0.02 0.00 0.00 0.00 0.00 19.45 20.10 1nfa n ALA 77 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1nfa n PHE 78 N -1.94 0.00 -2.64 0.00 1.16 -1.26 -4.73 117.46 108.05 1nfa n PHE 78 Ca 0.00 -0.29 -0.43 0.00 -1.87 0.00 0.00 57.45 54.86 1nfa n PHE 78 Cb 0.00 -0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 37.81 1nfa n PHE 78 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1nfa s TYR 79 N -0.69 3.19 -0.04 2.97 1.51 -1.26 -4.73 117.35 118.30 1nfa s TYR 79 Ca 0.04 1.25 0.01 0.00 -1.01 0.00 0.00 57.07 57.37 1nfa s TYR 79 Cb 0.04 -3.60 0.04 0.00 -0.11 0.00 0.00 41.96 38.33 1nfa s TYR 79 CO 0.00 -0.71 0.47 0.00 -1.11 0.00 0.00 175.55 174.20 1nfa n GLN 80 N 6.76 0.14 -3.43 -0.62 -0.00 -1.26 -4.68 117.38 114.28 1nfa n GLN 80 Ca 0.12 -0.29 -0.38 0.00 -0.00 0.00 0.00 57.00 56.45 1nfa n GLN 80 Cb 0.47 0.35 -0.06 0.00 -0.00 0.00 0.00 30.24 31.00 1nfa n GLN 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1nfa s VAL 81 N 0.01 4.93 -0.30 -0.39 -7.23 -1.26 -5.00 120.40 111.16 1nfa s VAL 81 Ca 0.01 0.91 -0.15 0.00 -1.81 0.00 0.00 61.98 60.94 1nfa s VAL 81 Cb 0.05 -3.76 0.18 0.00 0.56 0.00 0.00 36.38 33.40 1nfa s VAL 81 CO -0.01 0.52 1.13 -2.28 -0.31 0.00 0.00 175.10 174.14 1nfa s HIS 82 N -1.15 -0.35 -0.08 2.82 5.04 -1.26 -3.45 115.29 116.86 1nfa s HIS 82 Ca 0.27 0.40 -0.05 0.00 -1.54 0.00 0.00 55.06 54.14 1nfa s HIS 82 Cb -0.17 0.13 0.03 0.00 0.04 0.00 0.00 32.58 32.61 1nfa s HIS 82 CO 0.16 -0.19 0.19 1.03 -2.34 0.00 0.00 174.74 173.59 1nfa s ARG 83 N 2.87 0.18 -0.21 2.88 0.52 -0.76 -4.95 118.95 119.48 1nfa s ARG 83 Ca -0.04 0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 55.41 1nfa s ARG 83 Cb -0.09 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.31 1nfa s ARG 83 CO -0.10 -0.09 0.15 0.42 0.02 0.00 0.00 175.30 175.69 1nfa s ILE 84 N 0.64 5.39 0.00 1.52 1.09 -1.24 -4.34 121.20 124.26 1nfa s ILE 84 Ca -0.04 0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.72 1nfa s ILE 84 Cb -0.06 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1nfa s ILE 84 CO -0.03 0.41 0.00 0.35 -0.10 0.00 0.00 174.94 175.56 1nfa n THR 85 N 3.76 0.00 -0.27 2.92 -2.24 -1.26 -4.99 114.28 112.21 1nfa n THR 85 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1nfa n THR 85 Cb 0.52 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1nfa n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nfa n GLY 86 N 5.00 0.79 2.61 3.38 0.00 -1.26 -4.56 105.19 111.16 1nfa n GLY 86 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1nfa n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nfa n LYS 87 N 0.00 0.77 -2.49 1.61 0.00 -1.26 -4.98 118.16 111.81 1nfa n LYS 87 Ca 0.00 -2.10 -0.10 0.00 0.00 0.00 0.00 58.31 56.11 1nfa n LYS 87 Cb 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 35.03 33.67 1nfa n LYS 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1nfa n THR 88 N 1.54 1.80 -3.75 3.15 -2.24 -1.26 -5.04 114.28 108.48 1nfa n THR 88 Ca 0.12 -3.47 -0.12 0.00 -2.27 0.00 0.00 64.05 58.30 1nfa n THR 88 Cb 0.61 0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 69.00 1nfa n THR 88 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nfa s VAL 89 N -4.14 -0.01 -0.54 2.28 0.11 -1.26 -5.02 120.40 111.81 1nfa s VAL 89 Ca 0.37 0.05 0.18 0.00 -2.93 0.00 0.00 61.98 59.66 1nfa s VAL 89 Cb 0.36 -0.43 -0.23 0.00 -1.53 0.00 0.00 36.38 34.55 1nfa s VAL 89 CO -0.01 0.02 0.63 -1.54 -3.33 0.00 0.00 175.10 170.88 1nfa n SER 90 N 3.45 0.81 -4.63 3.54 3.41 -1.26 -4.91 113.62 114.03 1nfa n SER 90 Ca -0.18 -0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 57.43 1nfa n SER 90 Cb 0.56 1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 65.81 1nfa n SER 90 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nfa s THR 91 N -2.93 3.37 0.42 6.66 -1.32 -1.26 -4.96 115.64 115.62 1nfa s THR 91 Ca 0.02 0.42 -0.22 0.00 -1.21 0.00 0.00 61.69 60.70 1nfa s THR 91 Cb 0.13 -3.36 -0.10 0.00 -1.51 0.00 0.00 72.50 67.65 1nfa s THR 91 CO 0.75 -0.14 0.97 0.28 -2.21 0.00 0.00 174.62 174.28 1nfa s THR 92 N 5.60 4.19 0.29 5.08 -1.32 -1.26 -5.06 115.64 123.16 1nfa s THR 92 Ca 0.82 1.46 0.03 0.00 -1.21 0.00 0.00 61.69 62.79 1nfa s THR 92 Cb -0.32 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 66.99 1nfa s THR 92 CO 0.34 -0.20 0.17 -0.94 -2.21 0.00 0.00 174.62 171.77 1nfa s SER 93 N -2.00 1.32 0.11 8.08 1.04 -1.26 -4.26 113.70 116.73 1nfa s SER 93 Ca 0.61 -1.56 -0.15 0.00 0.48 0.00 0.00 55.95 55.33 1nfa s SER 93 Cb -0.13 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.43 1nfa s SER 93 CO 0.17 -0.91 0.37 -1.00 0.98 0.00 0.00 173.24 172.86 1nfa s HIS 94 N -3.68 -0.16 0.07 5.02 3.76 0.47 -4.95 115.29 115.82 1nfa s HIS 94 Ca 0.37 -0.15 0.07 0.00 -0.15 0.00 0.00 55.06 55.20 1nfa s HIS 94 Cb 0.05 0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.93 1nfa s HIS 94 CO 0.18 -0.67 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.01 1nfa s GLU 95 N -3.70 1.09 -0.19 1.40 0.41 -1.26 -2.05 118.70 114.40 1nfa s GLU 95 Ca 0.02 -0.98 -0.07 0.00 -0.41 0.00 0.00 54.97 53.54 1nfa s GLU 95 Cb 0.02 -1.21 0.08 0.00 -1.78 0.00 0.00 34.13 31.24 1nfa s GLU 95 CO -0.11 0.29 0.41 0.00 -0.49 0.00 0.00 175.26 175.36 1nfa s ALA 96 N -1.02 -1.10 -0.03 5.21 0.00 -1.15 -4.95 121.76 118.71 1nfa s ALA 96 Ca 0.04 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.49 1nfa s ALA 96 Cb -0.09 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1nfa s ALA 96 CO 0.03 -0.67 -0.06 -1.50 0.00 0.00 0.00 175.76 173.55 1nfa s ILE 97 N 2.42 3.74 -0.37 0.00 1.10 -1.26 -1.42 121.20 125.41 1nfa s ILE 97 Ca -0.03 -0.61 0.12 0.00 -0.51 0.00 0.00 60.65 59.62 1nfa s ILE 97 Cb -0.11 -2.59 0.44 0.00 0.15 0.00 0.00 42.46 40.35 1nfa s ILE 97 CO -0.12 0.49 1.03 0.00 -2.11 0.00 0.00 174.94 174.22 1nfa n LEU 98 N 1.84 2.95 -1.32 8.50 -0.00 -0.65 -4.99 117.00 123.34 1nfa n LEU 98 Ca -0.16 -4.38 0.00 0.00 -0.00 0.00 0.00 56.01 51.46 1nfa n LEU 98 Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1nfa n LEU 98 CO 0.29 1.86 -0.15 -1.54 -0.00 0.00 0.00 177.39 177.85 1nfa n SER 99 N -0.27 -4.32 -3.00 1.45 3.41 -1.26 -4.40 113.62 105.23 1nfa n SER 99 Ca 0.23 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1nfa n SER 99 Cb 0.75 -2.30 -0.02 0.00 -0.26 0.00 0.00 64.21 62.38 1nfa n SER 99 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1nfa n ASN 100 N 0.57 -1.88 -3.14 4.04 6.94 -1.26 -4.81 115.26 115.72 1nfa n ASN 100 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1nfa n ASN 100 Cb 0.00 -1.68 -0.01 0.00 -2.36 0.00 0.00 39.78 35.74 1nfa n ASN 100 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1nfa s THR 101 N -2.44 -0.99 0.16 5.53 2.01 -1.26 -4.86 115.64 113.79 1nfa s THR 101 Ca 0.21 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1nfa s THR 101 Cb -0.12 0.00 -0.07 0.00 0.01 0.00 0.00 72.50 72.32 1nfa s THR 101 CO 0.26 0.00 0.50 -0.75 -0.69 0.00 0.00 174.62 173.94 1nfa s LYS 102 N 1.72 3.82 0.20 4.92 2.47 -1.26 -1.63 119.74 129.98 1nfa s LYS 102 Ca 0.18 0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.87 1nfa s LYS 102 Cb -0.03 -2.82 -0.05 0.00 -1.46 0.00 0.00 37.83 33.47 1nfa s LYS 102 CO -0.07 0.43 0.07 0.08 0.16 0.00 0.00 175.35 176.02 1nfa s VAL 103 N -1.61 0.39 -0.14 4.02 1.01 -0.50 -4.62 120.40 118.95 1nfa s VAL 103 Ca 0.41 -1.98 0.02 0.00 0.00 0.00 0.00 61.98 60.43 1nfa s VAL 103 Cb -0.13 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1nfa s VAL 103 CO 0.20 -0.23 -0.20 -0.22 0.00 0.00 0.00 175.10 174.65 1nfa s LEU 104 N -3.19 1.99 -0.20 3.92 0.20 0.37 -2.95 118.68 118.82 1nfa s LEU 104 Ca 0.31 -0.56 -0.02 0.00 0.69 0.00 0.00 54.13 54.56 1nfa s LEU 104 Cb 0.07 -1.34 0.00 0.00 -0.43 0.00 0.00 46.19 44.49 1nfa s LEU 104 CO 0.08 0.05 -0.10 -1.61 -0.29 0.00 0.00 176.35 174.48 1nfa s GLU 105 N 0.93 3.24 -0.22 1.98 2.02 -0.87 -2.22 118.70 123.58 1nfa s GLU 105 Ca -0.05 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.22 1nfa s GLU 105 Cb -0.15 -2.84 0.07 0.00 0.10 0.00 0.00 34.13 31.30 1nfa s GLU 105 CO -0.03 -0.19 0.03 0.42 0.02 0.00 0.00 175.26 175.51 1nfa s ILE 106 N 1.37 0.68 -0.28 -1.63 1.01 -1.12 -0.39 121.20 120.84 1nfa s ILE 106 Ca 0.05 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1nfa s ILE 106 Cb -0.14 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1nfa s ILE 106 CO -0.06 -0.26 1.33 -2.16 0.00 0.00 0.00 174.94 173.78 1nfa s PRO 107 N 1.78 3.94 0.31 2.79 0.04 -1.26 -0.92 135.00 141.68 1nfa s PRO 107 Ca -0.00 1.34 0.08 0.00 0.04 0.00 0.00 61.00 62.45 1nfa s PRO 107 Cb -0.17 -3.88 -0.06 0.00 0.04 0.00 0.00 34.50 30.42 1nfa s PRO 107 CO -0.10 -1.09 -0.06 -0.51 0.04 0.00 0.00 177.00 175.28 1nfa s LEU 108 N 4.35 2.58 -0.38 -3.56 1.43 -0.80 -4.70 118.68 117.59 1nfa s LEU 108 Ca 0.57 -1.21 0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1nfa s LEU 108 Cb -0.18 -0.77 0.35 0.00 0.03 0.00 0.00 46.19 45.62 1nfa s LEU 108 CO 0.23 -0.31 0.75 0.00 0.23 0.00 0.00 176.35 177.24 1nfa n LEU 109 N -0.69 0.99 0.00 1.79 -0.00 -1.26 -1.34 117.00 116.49 1nfa n LEU 109 Ca -0.05 -5.00 0.13 0.00 -0.00 0.00 0.00 56.01 51.09 1nfa n LEU 109 Cb 0.64 0.66 0.70 0.00 -0.00 0.00 0.00 43.42 45.42 1nfa n LEU 109 CO 0.42 2.27 0.94 -0.81 -0.00 0.00 0.00 177.39 180.21 1nfa n PRO 110 N 0.25 0.52 -0.42 1.47 -0.04 -1.26 -3.86 135.00 131.66 1nfa n PRO 110 Ca 0.25 0.03 0.34 0.00 -0.04 0.00 0.00 63.50 64.07 1nfa n PRO 110 Cb 0.65 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.23 1nfa n PRO 110 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1nfa h GLU 111 N 0.00 0.15 0.04 0.54 5.08 -1.82 -0.39 114.58 118.17 1nfa h GLU 111 Ca 0.00 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 1nfa h GLU 111 Cb 0.16 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1nfa h GLU 111 CO 0.00 0.10 -2.08 0.27 -1.00 0.00 0.00 179.01 176.30 1nfa n ASN 112 N -4.68 1.99 0.00 1.42 0.23 -1.25 -4.22 115.26 108.76 1nfa n ASN 112 Ca 0.34 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.59 1nfa n ASN 112 Cb 1.31 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 1nfa n ASN 112 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1nfa n SER 113 N -3.80 0.00 -3.27 0.53 3.41 -0.16 -5.11 113.62 105.23 1nfa n SER 113 Ca -0.41 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.14 1nfa n SER 113 Cb 0.92 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 1nfa n SER 113 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1nfa s MET 114 N 0.00 0.63 -0.16 4.33 0.00 -1.26 -4.82 119.30 118.02 1nfa s MET 114 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 55.69 55.33 1nfa s MET 114 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 34.83 34.57 1nfa s MET 114 CO 0.00 -1.13 0.32 0.50 0.00 0.00 0.00 175.02 174.71 1nfa s ARG 115 N 2.05 4.27 -0.02 4.11 3.00 -1.26 -4.50 118.95 126.59 1nfa s ARG 115 Ca 0.14 0.14 0.01 0.00 -1.00 0.00 0.00 55.73 55.02 1nfa s ARG 115 Cb -0.10 -3.43 0.01 0.00 0.00 0.00 0.00 34.95 31.43 1nfa s ARG 115 CO -0.15 0.21 -0.04 0.00 0.00 0.00 0.00 175.30 175.33 1nfa s ALA 116 N 0.54 0.46 0.01 6.12 0.00 -0.87 -5.04 121.76 122.97 1nfa s ALA 116 Ca 0.18 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1nfa s ALA 116 Cb -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1nfa s ALA 116 CO 0.05 0.03 0.04 0.14 0.00 0.00 0.00 175.76 176.02 1nfa s VAL 117 N 0.44 4.40 -0.55 0.00 -7.23 -1.26 -1.88 120.40 114.32 1nfa s VAL 117 Ca -0.05 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 1nfa s VAL 117 Cb -0.08 -3.01 0.14 0.00 0.56 0.00 0.00 36.38 33.99 1nfa s VAL 117 CO -0.00 0.33 0.35 -0.63 -0.31 0.00 0.00 175.10 174.84 1nfa s ILE 118 N -1.17 3.55 -0.11 -0.62 1.01 -1.17 -4.85 121.20 117.84 1nfa s ILE 118 Ca 0.22 -2.64 0.15 0.00 0.00 0.00 0.00 60.65 58.38 1nfa s ILE 118 Cb -0.12 -3.36 0.34 0.00 0.01 0.00 0.00 42.46 39.33 1nfa s ILE 118 CO 0.13 -0.81 1.16 -0.90 0.00 0.00 0.00 174.94 174.52 1nfa n ASP 119 N 3.88 1.44 -2.30 3.58 5.75 -1.26 -4.06 116.55 123.58 1nfa n ASP 119 Ca 0.04 -3.00 -0.23 0.00 -0.01 0.00 0.00 54.79 51.59 1nfa n ASP 119 Cb 0.39 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 40.09 1nfa n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nfa s ALA 121 N -3.56 2.88 0.00 0.00 0.00 -1.26 -1.83 121.76 117.99 1nfa s ALA 121 Ca 0.47 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1nfa s ALA 121 Cb 0.40 0.72 0.00 0.00 0.00 0.00 0.00 23.12 24.25 1nfa s ALA 121 CO -0.06 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1nfa n GLY 122 N -0.89 2.42 3.55 0.00 0.00 -1.22 -4.74 105.19 104.31 1nfa n GLY 122 Ca -0.06 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 1nfa n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfa s ILE 123 N -2.79 1.19 0.04 -0.61 1.01 -1.26 -4.28 121.20 114.50 1nfa s ILE 123 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.64 1nfa s ILE 123 Cb 0.00 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1nfa s ILE 123 CO 0.00 0.00 -0.03 -1.48 0.00 0.00 0.00 174.94 173.43 1nfa s LEU 124 N -3.63 2.43 -0.01 2.97 0.05 -1.26 -4.96 118.68 114.26 1nfa s LEU 124 Ca 0.28 -0.90 0.03 0.00 0.05 0.00 0.00 54.13 53.59 1nfa s LEU 124 Cb 0.06 0.20 -0.01 0.00 -2.05 0.00 0.00 46.19 44.39 1nfa s LEU 124 CO 0.14 -0.55 -0.12 -1.59 -0.55 0.00 0.00 176.35 173.68 1nfa s LYS 125 N -3.46 0.99 0.04 1.48 -2.85 -1.26 -4.86 119.74 109.82 1nfa s LYS 125 Ca 0.03 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 1nfa s LYS 125 Cb 0.05 -0.95 0.00 0.00 -2.06 0.00 0.00 37.83 34.87 1nfa s LYS 125 CO -0.08 0.23 0.01 1.28 0.10 0.00 0.00 175.35 176.89 1nfa n LEU 126 N 2.87 0.00 -0.07 2.77 4.77 -1.26 -5.10 117.00 120.99 1nfa n LEU 126 Ca -0.15 -0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 55.52 1nfa n LEU 126 Cb 0.56 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1nfa n LEU 126 CO 0.25 -0.13 -0.63 0.54 -1.33 0.00 0.00 177.39 176.09 1nfa n ARG 127 N -0.29 0.42 -3.52 3.23 3.00 -1.26 -5.04 116.66 113.20 1nfa n ARG 127 Ca -0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.85 58.00 1nfa n ARG 127 Cb 0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 32.46 31.24 1nfa n ARG 127 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1nfa s ASN 128 N -6.07 -0.99 -0.15 0.55 2.47 -1.26 -5.03 114.94 104.46 1nfa s ASN 128 Ca -0.24 1.26 0.18 0.00 0.42 0.00 0.00 52.86 54.49 1nfa s ASN 128 Cb 0.04 2.09 -0.26 0.00 -1.45 0.00 0.00 41.25 41.67 1nfa s ASN 128 CO 0.34 -0.19 0.17 -1.54 -3.72 0.00 0.00 177.10 172.17 1nfa n SER 129 N 5.32 0.20 -1.22 -4.21 3.41 -1.26 -5.03 113.62 110.82 1nfa n SER 129 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1nfa n SER 129 Cb 0.50 1.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 1nfa n SER 129 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nfa n ASP 130 N -2.59 -1.66 -4.69 4.04 2.03 -1.26 -5.07 116.55 107.36 1nfa n ASP 130 Ca -0.24 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.72 1nfa n ASP 130 Cb 0.98 -0.42 -0.09 0.00 -0.72 0.00 0.00 41.12 40.87 1nfa n ASP 130 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nfa s ILE 131 N -2.82 4.78 -0.42 5.18 1.10 -1.26 -5.06 121.20 122.70 1nfa s ILE 131 Ca 0.00 -0.05 -0.26 0.00 -0.51 0.00 0.00 60.65 59.83 1nfa s ILE 131 Cb 0.00 -3.10 0.02 0.00 0.15 0.00 0.00 42.46 39.53 1nfa s ILE 131 CO 0.00 0.53 0.95 -1.61 -2.11 0.00 0.00 174.94 172.70 1nfa s GLU 132 N -0.22 3.69 0.17 3.50 2.02 -1.26 -4.53 118.70 122.07 1nfa s GLU 132 Ca 0.08 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1nfa s GLU 132 Cb -0.12 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.24 1nfa s GLU 132 CO 0.01 -1.12 0.00 -0.11 0.02 0.00 0.00 175.26 174.06 1nfa n LEU 133 N 7.07 -1.55 -0.19 1.80 -0.00 -1.26 -4.93 117.00 117.94 1nfa n LEU 133 Ca 0.07 0.54 0.10 0.00 -0.00 0.00 0.00 56.01 56.72 1nfa n LEU 133 Cb 0.48 1.69 0.40 0.00 -0.00 0.00 0.00 43.42 45.99 1nfa n LEU 133 CO 0.62 0.07 1.21 0.08 -0.00 0.00 0.00 177.39 179.37 1nfa h ARG 134 N 0.00 0.62 -7.22 1.96 0.11 -2.05 -3.41 114.38 104.40 1nfa h ARG 134 Ca 0.00 -0.04 -0.48 0.00 0.10 0.00 0.00 59.98 59.56 1nfa h ARG 134 Cb 0.00 -0.14 0.03 0.00 1.11 0.00 0.00 29.97 30.97 1nfa h ARG 134 CO 0.00 0.41 0.38 0.15 0.10 0.00 0.00 179.97 181.02 1nfa s LYS 135 N -5.60 3.81 0.00 0.08 1.02 -1.26 -4.89 119.74 112.91 1nfa s LYS 135 Ca -0.09 0.95 0.00 0.00 0.02 0.00 0.00 55.97 56.85 1nfa s LYS 135 Cb 0.20 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1nfa s LYS 135 CO 0.77 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1nfa n GLY 136 N -1.70 -2.31 1.15 -3.33 0.00 -1.26 -5.05 105.19 92.68 1nfa n GLY 136 Ca 0.07 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1nfa n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nfa n GLU 137 N 0.00 0.00 -4.20 1.61 4.07 -1.26 -5.10 120.64 115.77 1nfa n GLU 137 Ca 0.00 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.92 1nfa n GLU 137 Cb 0.00 -0.24 -0.12 0.00 -0.06 0.00 0.00 31.44 31.02 1nfa n GLU 137 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1nfa s THR 138 N -1.56 1.08 0.79 6.31 -1.32 -1.26 -5.13 115.64 114.56 1nfa s THR 138 Ca 0.00 -1.23 -0.14 0.00 -1.21 0.00 0.00 61.69 59.11 1nfa s THR 138 Cb 0.00 -1.03 0.07 0.00 -1.51 0.00 0.00 72.50 70.03 1nfa s THR 138 CO 0.00 -0.19 1.21 -0.90 -2.21 0.00 0.00 174.62 172.53 1nfa n ASP 139 N 1.41 1.12 0.00 8.08 5.75 -1.26 -4.98 116.55 126.67 1nfa n ASP 139 Ca -0.21 0.61 -0.00 0.00 -0.01 0.00 0.00 54.79 55.19 1nfa n ASP 139 Cb 0.54 -1.51 -0.00 0.00 -1.03 0.00 0.00 41.12 39.12 1nfa n ASP 139 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1nfa n ILE 140 N -3.15 0.10 -1.40 2.12 -0.00 -1.26 -5.12 119.36 110.65 1nfa n ILE 140 Ca 0.14 0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.94 1nfa n ILE 140 Cb 0.50 -1.07 0.00 0.00 -0.00 0.00 0.00 39.64 39.07 1nfa n ILE 140 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nfa n GLY 141 N 3.42 4.30 0.00 7.39 0.00 -1.26 -5.14 105.19 113.90 1nfa n GLY 141 Ca -0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1nfa n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfa n ARG 142 N 0.00 0.00 -2.43 1.61 1.74 -1.26 -4.93 116.66 111.39 1nfa n ARG 142 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1nfa n ARG 142 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1nfa n ARG 142 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nfa n LYS 143 N -0.44 3.45 -1.71 5.56 4.81 -1.26 -4.98 118.16 123.59 1nfa n LYS 143 Ca 0.00 -3.48 -0.42 0.00 -0.87 0.00 0.00 58.31 53.53 1nfa n LYS 143 Cb 0.00 -3.03 -0.03 0.00 0.02 0.00 0.00 35.03 31.99 1nfa n LYS 143 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nfa n ASN 144 N 4.81 4.04 -2.71 3.14 4.13 -1.26 -3.61 115.26 123.81 1nfa n ASN 144 Ca 0.41 1.04 -0.08 0.00 1.68 0.00 0.00 54.58 57.63 1nfa n ASN 144 Cb 0.39 -1.57 0.11 0.00 -1.54 0.00 0.00 39.78 37.17 1nfa n ASN 144 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1nfa n THR 145 N 4.22 0.00 -4.01 3.41 -1.04 -1.26 -4.99 114.28 110.61 1nfa n THR 145 Ca 0.17 -1.49 -0.22 0.00 -2.04 0.00 0.00 64.05 60.46 1nfa n THR 145 Cb 0.36 1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 70.01 1nfa n THR 145 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nfa s ARG 146 N 0.22 3.26 0.14 -2.82 3.03 -1.26 -4.03 118.95 117.49 1nfa s ARG 146 Ca 0.22 -0.82 -0.03 0.00 2.03 0.00 0.00 55.73 57.13 1nfa s ARG 146 Cb 0.36 -2.80 -0.03 0.00 -1.03 0.00 0.00 34.95 31.45 1nfa s ARG 146 CO -0.08 0.44 0.10 0.14 -1.13 0.00 0.00 175.30 174.77 1nfa s VAL 147 N -1.97 0.10 -0.18 4.99 -7.23 -1.26 -4.59 120.40 110.26 1nfa s VAL 147 Ca 0.34 -1.81 -0.06 0.00 -1.81 0.00 0.00 61.98 58.64 1nfa s VAL 147 Cb -0.09 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 34.93 1nfa s VAL 147 CO 0.27 -0.43 0.36 -0.13 -0.31 0.00 0.00 175.10 174.86 1nfa s ARG 148 N -4.03 0.27 -0.22 4.82 1.81 0.44 -4.50 118.95 117.53 1nfa s ARG 148 Ca 0.23 0.89 -0.29 0.00 -1.72 0.00 0.00 55.73 54.84 1nfa s ARG 148 Cb 0.07 0.13 0.01 0.00 -0.45 0.00 0.00 34.95 34.70 1nfa s ARG 148 CO 0.01 -0.30 1.05 -0.51 -0.68 0.00 0.00 175.30 174.87 1nfa s LEU 149 N 2.54 4.11 -0.21 2.53 2.01 -1.11 -3.02 118.68 125.53 1nfa s LEU 149 Ca 0.01 1.40 -0.14 0.00 0.01 0.00 0.00 54.13 55.41 1nfa s LEU 149 Cb -0.12 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.49 1nfa s LEU 149 CO -0.12 -0.66 0.29 -0.69 1.01 0.00 0.00 176.35 176.18 1nfa s VAL 150 N 3.16 5.28 -0.14 -1.59 1.01 -1.26 -1.49 120.40 125.36 1nfa s VAL 150 Ca 0.45 0.49 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 1nfa s VAL 150 Cb -0.15 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1nfa s VAL 150 CO 0.07 0.31 -0.09 -0.36 0.00 0.00 0.00 175.10 175.03 1nfa s PHE 151 N 1.05 1.79 -0.12 5.22 0.08 -0.30 -4.01 117.98 121.69 1nfa s PHE 151 Ca 0.14 -1.02 -0.13 0.00 0.12 0.00 0.00 56.93 56.04 1nfa s PHE 151 Cb -0.14 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1nfa s PHE 151 CO 0.06 -0.60 0.37 -0.98 -0.10 0.00 0.00 175.22 173.97 1nfa s ARG 152 N 1.61 0.46 -0.13 0.44 1.70 -1.24 0.72 118.95 122.52 1nfa s ARG 152 Ca 0.03 0.44 0.02 0.00 -0.47 0.00 0.00 55.73 55.75 1nfa s ARG 152 Cb -0.14 0.22 -0.00 0.00 -0.57 0.00 0.00 34.95 34.46 1nfa s ARG 152 CO -0.09 -0.07 -0.18 0.54 -1.08 0.00 0.00 175.30 174.42 1nfa s VAL 153 N 0.02 2.51 -0.21 4.99 0.11 -1.23 -2.64 120.40 123.94 1nfa s VAL 153 Ca -0.02 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1nfa s VAL 153 Cb -0.03 -2.02 0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1nfa s VAL 153 CO 0.01 0.54 -0.14 -1.00 -3.33 0.00 0.00 175.10 171.18 1nfa s HIS 154 N 0.50 2.77 -0.08 1.54 3.76 -1.26 -3.65 115.29 118.87 1nfa s HIS 154 Ca -0.12 -1.82 -0.06 0.00 -0.15 0.00 0.00 55.06 52.91 1nfa s HIS 154 Cb -0.16 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1nfa s HIS 154 CO 0.05 -0.80 0.17 0.54 -0.85 0.00 0.00 174.74 173.84 1nfa s VAL 155 N 1.28 5.46 -0.30 -0.90 0.11 -0.78 -4.69 120.40 120.59 1nfa s VAL 155 Ca -0.01 0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 1nfa s VAL 155 Cb -0.16 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1nfa s VAL 155 CO -0.09 0.52 1.34 -2.16 -3.33 0.00 0.00 175.10 171.39 1nfa s PRO 156 N -1.32 3.87 0.25 1.54 0.04 -1.26 -4.76 135.00 133.35 1nfa s PRO 156 Ca 0.19 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1nfa s PRO 156 Cb -0.12 -3.91 -0.05 0.00 0.04 0.00 0.00 34.50 30.46 1nfa s PRO 156 CO 0.09 -1.18 0.06 -0.65 0.04 0.00 0.00 177.00 175.36 1nfa s GLN 157 N 4.29 1.37 -0.04 4.56 -1.52 -1.26 -5.09 119.66 121.97 1nfa s GLN 157 Ca 0.58 -1.72 -0.03 0.00 -1.95 0.00 0.00 55.36 52.24 1nfa s GLN 157 Cb -0.17 -0.37 -0.02 0.00 -0.22 0.00 0.00 33.01 32.23 1nfa s GLN 157 CO 0.25 -0.23 0.20 -1.00 -0.25 0.00 0.00 175.29 174.26 1nfa h PRO 158 N 2.43 -0.11 0.74 2.91 0.13 -2.01 -3.38 132.00 132.70 1nfa h PRO 158 Ca -0.38 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 1nfa h PRO 158 Cb 1.24 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1nfa h PRO 158 CO 0.63 -0.07 -0.35 0.77 -0.23 0.00 0.00 178.00 178.74 1nfa h SER 159 N -0.58 -0.84 0.00 1.44 0.02 -2.02 -3.47 113.55 108.11 1nfa h SER 159 Ca -0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nfa h SER 159 Cb 0.09 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1nfa h SER 159 CO 0.02 -0.54 0.00 0.61 -1.14 0.00 0.00 176.83 175.78 1nfa n GLY 160 N -1.22 2.39 3.58 -3.77 0.00 -1.26 -5.01 105.19 99.90 1nfa n GLY 160 Ca -0.14 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1nfa n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nfa s ARG 161 N 0.00 3.86 0.00 1.61 0.52 -1.26 -4.36 118.95 119.32 1nfa s ARG 161 Ca 0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 1nfa s ARG 161 Cb 0.00 -5.51 0.00 0.00 0.52 0.00 0.00 34.95 29.96 1nfa s ARG 161 CO 0.00 -2.41 0.00 2.41 0.02 0.00 0.00 175.30 175.32 1nfa n THR 162 N 6.52 0.00 -3.48 0.02 -1.04 -1.26 -5.07 114.28 109.97 1nfa n THR 162 Ca 0.49 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 62.24 1nfa n THR 162 Cb 0.46 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.84 1nfa n THR 162 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1nfa s LEU 163 N -3.75 0.39 -0.42 -4.42 2.96 -1.26 -4.89 118.68 107.29 1nfa s LEU 163 Ca 0.00 -1.34 0.05 0.00 -0.22 0.00 0.00 54.13 52.62 1nfa s LEU 163 Cb 0.00 -0.09 0.19 0.00 0.50 0.00 0.00 46.19 46.78 1nfa s LEU 163 CO 0.00 -0.39 0.74 -0.55 -1.32 0.00 0.00 176.35 174.82 1nfa s SER 164 N 1.94 -1.28 0.29 3.68 0.15 -1.25 -1.86 113.70 115.38 1nfa s SER 164 Ca 0.11 -0.89 0.02 0.00 0.70 0.00 0.00 55.95 55.89 1nfa s SER 164 Cb -0.17 1.65 -0.05 0.00 -1.71 0.00 0.00 66.02 65.74 1nfa s SER 164 CO -0.27 -0.11 0.09 -1.48 1.20 0.00 0.00 173.24 172.66 1nfa s LEU 165 N 1.59 1.83 0.24 3.45 2.34 -1.24 -5.02 118.68 121.86 1nfa s LEU 165 Ca 0.19 -1.41 0.11 0.00 0.06 0.00 0.00 54.13 53.08 1nfa s LEU 165 Cb -0.01 -0.10 -0.05 0.00 -0.56 0.00 0.00 46.19 45.48 1nfa s LEU 165 CO -0.08 -0.72 -0.15 -1.58 -1.06 0.00 0.00 176.35 172.77 1nfa s GLN 166 N -3.96 1.84 -0.45 1.48 0.74 -1.26 -3.52 119.66 114.54 1nfa s GLN 166 Ca 0.37 -1.54 0.05 0.00 0.05 0.00 0.00 55.36 54.29 1nfa s GLN 166 Cb 0.08 -1.95 0.18 0.00 1.10 0.00 0.00 33.01 32.41 1nfa s GLN 166 CO 0.15 0.38 0.50 0.08 -0.55 0.00 0.00 175.29 175.84 1nfa s VAL 167 N -2.10 -0.31 -0.57 1.34 1.01 0.22 -4.93 120.40 115.07 1nfa s VAL 167 Ca 0.27 -1.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.34 1nfa s VAL 167 Cb -0.07 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.72 1nfa s VAL 167 CO 0.15 -0.64 0.80 0.00 0.00 0.00 0.00 175.10 175.41 1nfa s ALA 168 N 0.62 3.27 -0.05 5.51 0.00 -1.26 -1.15 121.76 128.71 1nfa s ALA 168 Ca 0.29 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.61 1nfa s ALA 168 Cb -0.01 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1nfa s ALA 168 CO -0.11 -2.34 -0.25 -1.54 0.00 0.00 0.00 175.76 171.52 1nfa s SER 169 N 3.10 3.05 0.00 0.00 1.04 -0.56 -4.90 113.70 115.45 1nfa s SER 169 Ca 0.20 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1nfa s SER 169 Cb -0.18 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.23 1nfa s SER 169 CO 0.13 0.26 0.00 0.59 0.98 0.00 0.00 173.24 175.20 1nfa n ASN 170 N 2.82 0.00 -3.90 7.02 4.13 -1.26 -2.76 115.26 121.31 1nfa n ASN 170 Ca -0.17 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.67 1nfa n ASN 170 Cb 0.52 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.74 1nfa n ASN 170 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1nfa n PRO 171 N 0.00 2.62 -4.77 3.52 -0.04 -1.26 -4.69 135.00 130.38 1nfa n PRO 171 Ca 0.00 -2.59 -0.26 0.00 -0.04 0.00 0.00 63.50 60.62 1nfa n PRO 171 Cb 0.00 -3.28 -0.16 0.00 -0.04 0.00 0.00 33.50 30.02 1nfa n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nfa s ILE 172 N 4.05 1.35 -0.24 0.52 1.01 -1.26 -4.76 121.20 121.87 1nfa s ILE 172 Ca 0.51 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 1nfa s ILE 172 Cb 0.12 -1.18 0.09 0.00 0.01 0.00 0.00 42.46 41.50 1nfa s ILE 172 CO -0.01 0.39 0.55 -1.83 0.00 0.00 0.00 174.94 174.04 1nfa s GLU 173 N 0.15 0.51 0.26 2.79 -1.05 -1.26 -4.02 118.70 116.07 1nfa s GLU 173 Ca -0.06 1.13 0.01 0.00 -0.15 0.00 0.00 54.97 55.91 1nfa s GLU 173 Cb -0.12 0.33 0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1nfa s GLU 173 CO 0.02 -0.19 0.36 0.00 0.95 0.00 0.00 175.26 176.41 1nfa n SER 175 N -2.88 -6.80 -3.36 0.00 3.41 -1.24 -4.73 113.62 98.02 1nfa n SER 175 Ca 0.06 1.30 -0.19 0.00 -0.26 0.00 0.00 58.87 59.79 1nfa n SER 175 Cb 0.23 -4.29 0.08 0.00 -0.26 0.00 0.00 64.21 59.97 1nfa n SER 175 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1nfa n GLN 176 N -3.88 -6.86 -0.38 4.33 7.27 -1.26 -4.71 117.38 111.89 1nfa n GLN 176 Ca -0.08 0.80 0.05 0.00 0.07 0.00 0.00 57.00 57.84 1nfa n GLN 176 Cb 0.58 -5.70 -0.01 0.00 2.41 0.00 0.00 30.24 27.51 1nfa n GLN 176 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1nfa n ARG 177 N -4.33 -0.77 0.00 3.69 3.00 -1.26 -5.21 116.66 111.78 1nfa n ARG 177 Ca -0.15 0.51 0.16 0.00 -0.00 0.00 0.00 57.85 58.36 1nfa n ARG 177 Cb 0.61 -0.94 0.85 0.00 0.00 0.00 0.00 32.46 32.98 1nfa n ARG 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08