#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfa n LYS 2 N 0.00 1.67 -3.18 0.03 2.85 -1.26 -5.00 118.16 113.27 1nfa n LYS 2 Ca 0.00 -3.88 -0.44 0.00 -1.05 0.00 0.00 58.31 52.94 1nfa n LYS 2 Cb 0.00 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 32.59 1nfa n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1nfa n ASP 3 N 0.51 5.75 0.12 -5.58 9.92 -1.26 -4.80 116.55 121.20 1nfa n ASP 3 Ca 0.26 -3.15 0.01 0.00 -0.53 0.00 0.00 54.79 51.38 1nfa n ASP 3 Cb 0.53 -1.37 0.32 0.00 -0.64 0.00 0.00 41.12 39.97 1nfa n ASP 3 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1nfa h TRP 4 N 6.30 0.23 0.00 1.24 0.09 -2.09 -3.43 115.95 118.29 1nfa h TRP 4 Ca 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 58.89 59.14 1nfa h TRP 4 Cb 0.79 -0.06 0.00 0.00 0.08 0.00 0.00 29.16 29.97 1nfa h TRP 4 CO 0.87 0.46 0.00 1.04 0.09 0.00 0.00 178.44 180.91 1nfa n GLN 5 N -4.16 0.00 -3.04 0.12 1.13 -1.26 -5.09 117.38 105.08 1nfa n GLN 5 Ca -0.01 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.87 1nfa n GLN 5 Cb 0.36 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.70 1nfa n GLN 5 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1nfa n LEU 6 N 0.00 -0.64 -4.55 1.08 7.94 -1.26 -5.07 117.00 114.49 1nfa n LEU 6 Ca 0.00 -4.35 -0.40 0.00 -1.11 0.00 0.00 56.01 50.16 1nfa n LEU 6 Cb 0.00 0.73 -0.03 0.00 0.53 0.00 0.00 43.42 44.65 1nfa n LEU 6 CO 0.00 2.10 1.33 -2.16 -1.11 0.00 0.00 177.39 177.55 1nfa s PRO 7 N -0.88 3.19 -0.32 1.96 0.04 -1.26 -4.83 135.00 132.90 1nfa s PRO 7 Ca 0.34 -0.39 0.07 0.00 0.04 0.00 0.00 61.00 61.06 1nfa s PRO 7 Cb 0.24 -4.62 0.45 0.00 0.04 0.00 0.00 34.50 30.61 1nfa s PRO 7 CO -0.13 -2.34 1.18 -1.13 0.04 0.00 0.00 177.00 174.63 1nfa n SER 8 N 10.02 4.91 -3.58 6.66 3.41 -1.26 -4.94 113.62 128.84 1nfa n SER 8 Ca 0.17 -3.75 -0.27 0.00 -0.26 0.00 0.00 58.87 54.76 1nfa n SER 8 Cb 0.50 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.93 1nfa n SER 8 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1nfa s HIS 9 N -3.59 0.30 0.13 7.33 -3.43 -1.26 -5.10 115.29 109.67 1nfa s HIS 9 Ca 0.51 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 1nfa s HIS 9 Cb 0.41 -0.81 0.00 0.00 -1.43 0.00 0.00 32.58 30.74 1nfa s HIS 9 CO 0.00 -0.66 0.00 0.43 -2.00 0.00 0.00 174.74 172.51 1nfa n SER 10 N 5.25 -5.60 0.00 7.38 7.64 -1.26 -5.04 113.62 121.99 1nfa n SER 10 Ca -0.07 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1nfa n SER 10 Cb 0.46 -1.70 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 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 -1.77 -1.30 3.87 0.23 0.00 -1.26 -5.12 105.19 99.84 1nfa n GLY 11 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1nfa n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nfa s PRO 12 N 0.00 1.03 -0.15 1.61 0.04 -1.26 -4.83 135.00 131.44 1nfa s PRO 12 Ca 0.00 -0.07 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 1nfa s PRO 12 Cb 0.00 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1nfa s PRO 12 CO 0.00 -2.20 1.02 0.71 0.04 0.00 0.00 177.00 176.57 1nfa s TYR 13 N -3.60 3.45 -0.18 0.56 2.02 -1.26 -4.35 117.35 113.99 1nfa s TYR 13 Ca 0.68 1.54 -0.10 0.00 -0.37 0.00 0.00 57.07 58.82 1nfa s TYR 13 Cb -0.09 -3.22 0.06 0.00 -0.40 0.00 0.00 41.96 38.31 1nfa s TYR 13 CO 0.52 -0.32 0.43 -2.00 -1.57 0.00 0.00 175.55 172.61 1nfa s GLU 14 N 2.47 0.42 -0.88 -0.62 2.56 -1.26 -5.00 118.70 116.39 1nfa s GLU 14 Ca 0.47 0.82 -0.05 0.00 0.00 0.00 0.00 54.97 56.21 1nfa s GLU 14 Cb -0.17 -0.01 0.22 0.00 2.00 0.00 0.00 34.13 36.17 1nfa s GLU 14 CO 0.13 -0.16 0.78 -1.17 -0.56 0.00 0.00 175.26 174.29 1nfa s LEU 15 N 1.41 5.81 0.23 2.70 2.96 -1.26 -3.75 118.68 126.79 1nfa s LEU 15 Ca -0.10 -3.40 0.10 0.00 -0.22 0.00 0.00 54.13 50.51 1nfa s LEU 15 Cb -0.08 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1nfa s LEU 15 CO -0.13 -0.29 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.94 1nfa s ARG 16 N -0.90 2.10 0.32 1.98 6.06 -1.26 -4.83 118.95 122.42 1nfa s ARG 16 Ca 0.25 -1.40 -0.26 0.00 -2.50 0.00 0.00 55.73 51.82 1nfa s ARG 16 Cb -0.11 -2.11 -0.10 0.00 0.06 0.00 0.00 34.95 32.70 1nfa s ARG 16 CO -0.09 0.39 0.95 0.42 -2.50 0.00 0.00 175.30 174.47 1nfa s ILE 17 N -2.07 4.19 -0.06 4.11 1.09 -1.26 -3.94 121.20 123.26 1nfa s ILE 17 Ca 0.28 1.82 -0.00 0.00 -1.10 0.00 0.00 60.65 61.64 1nfa s ILE 17 Cb -0.07 -4.01 -0.00 0.00 -1.06 0.00 0.00 42.46 37.32 1nfa s ILE 17 CO 0.17 0.14 -0.01 -0.08 -0.10 0.00 0.00 174.94 175.07 1nfa h GLU 18 N 3.17 0.00 -5.55 2.79 4.57 -1.87 -3.45 114.58 114.24 1nfa h GLU 18 Ca -0.47 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.12 1nfa h GLU 18 Cb 1.19 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.68 1nfa h GLU 18 CO 0.65 0.00 -0.12 0.08 -1.18 0.00 0.00 179.01 178.44 1nfa s VAL 19 N -1.37 5.16 -0.48 0.32 1.01 -1.26 -4.99 120.40 118.80 1nfa s VAL 19 Ca -0.01 0.86 0.08 0.00 0.00 0.00 0.00 61.98 62.92 1nfa s VAL 19 Cb 0.00 -3.79 0.31 0.00 0.00 0.00 0.00 36.38 32.90 1nfa s VAL 19 CO 0.01 0.24 0.76 1.67 0.00 0.00 0.00 175.10 177.78 1nfa n GLN 20 N 4.36 1.86 -1.41 2.72 -0.06 -1.26 -3.24 117.38 120.35 1nfa n GLN 20 Ca -0.07 -4.01 -0.24 0.00 -2.00 0.00 0.00 57.00 50.68 1nfa n GLN 20 Cb 0.51 -1.86 0.17 0.00 -4.06 0.00 0.00 30.24 25.00 1nfa n GLN 20 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1nfa n PRO 21 N 0.44 -1.37 -0.82 3.69 -0.04 -1.26 -5.00 135.00 130.64 1nfa n PRO 21 Ca 0.27 -1.62 -0.33 0.00 -0.04 0.00 0.00 63.50 61.77 1nfa n PRO 21 Cb 0.51 -1.15 0.11 0.00 -0.04 0.00 0.00 33.50 32.93 1nfa n PRO 21 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1nfa n LYS 22 N -3.46 -0.36 -2.83 0.54 4.81 -1.26 -4.97 118.16 110.62 1nfa n LYS 22 Ca 0.13 -0.07 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 1nfa n LYS 22 Cb 0.47 -1.70 0.06 0.00 0.02 0.00 0.00 35.03 33.88 1nfa n LYS 22 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nfa n SER 23 N -0.57 -1.43 -4.92 3.14 2.88 -1.26 -4.84 113.62 106.62 1nfa n SER 23 Ca 0.05 -3.39 -0.20 0.00 -1.33 0.00 0.00 58.87 53.99 1nfa n SER 23 Cb 0.55 1.17 -0.02 0.00 -0.75 0.00 0.00 64.21 65.16 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 -0.49 2.94 -0.30 0.66 -3.43 -1.26 -4.52 115.29 108.90 1nfa s HIS 24 Ca 0.26 -0.31 -0.07 0.00 -0.80 0.00 0.00 55.06 54.15 1nfa s HIS 24 Cb 0.32 -1.97 0.17 0.00 -1.43 0.00 0.00 32.58 29.67 1nfa s HIS 24 CO -0.06 0.02 0.75 -1.58 -2.00 0.00 0.00 174.74 171.87 1nfa s HIS 25 N -2.28 -1.23 -1.24 0.38 2.46 -1.26 -4.74 115.29 107.38 1nfa s HIS 25 Ca 0.45 1.54 -0.12 0.00 0.47 0.00 0.00 55.06 57.40 1nfa s HIS 25 Cb -0.07 0.52 0.17 0.00 -0.13 0.00 0.00 32.58 33.07 1nfa s HIS 25 CO 0.29 -0.66 1.62 -2.13 -2.47 0.00 0.00 174.74 171.39 1nfa n ARG 26 N 5.39 3.48 -0.64 2.88 0.63 -1.26 -5.00 116.66 122.13 1nfa n ARG 26 Ca -0.05 -3.72 -0.31 0.00 -0.92 0.00 0.00 57.85 52.85 1nfa n ARG 26 Cb 0.51 -2.99 0.18 0.00 0.45 0.00 0.00 32.46 30.61 1nfa n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nfa n ALA 27 N 4.91 -2.85 -2.51 5.13 0.00 -1.26 -4.92 120.51 119.00 1nfa n ALA 27 Ca 0.38 -0.97 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1nfa n ALA 27 Cb 0.40 -1.84 -0.08 0.00 0.00 0.00 0.00 19.45 17.93 1nfa n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1nfa s HIS 28 N -2.39 3.15 -0.72 0.00 -3.43 -1.26 -4.90 115.29 105.73 1nfa s HIS 28 Ca 0.62 -0.14 0.26 0.00 -0.80 0.00 0.00 55.06 54.99 1nfa s HIS 28 Cb -0.20 -2.98 0.73 0.00 -1.43 0.00 0.00 32.58 28.70 1nfa s HIS 28 CO 0.65 -0.67 1.69 0.66 -2.00 0.00 0.00 174.74 175.06 1nfa n TYR 29 N 5.76 0.84 -1.45 0.38 4.01 -1.26 -4.85 117.16 120.58 1nfa n TYR 29 Ca -0.06 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1nfa n TYR 29 Cb 0.48 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 1nfa n TYR 29 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1nfa n GLU 30 N -2.21 3.84 -1.80 -0.72 2.13 -1.26 -5.04 120.64 115.57 1nfa n GLU 30 Ca 0.05 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.69 1nfa n GLU 30 Cb 0.43 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.19 1nfa n GLU 30 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1nfa n THR 31 N 0.00 2.43 -2.71 6.31 -2.24 -1.26 -4.75 114.28 112.06 1nfa n THR 31 Ca 0.00 -4.01 -0.14 0.00 -2.27 0.00 0.00 64.05 57.63 1nfa n THR 31 Cb 0.00 -0.91 0.01 0.00 -2.10 0.00 0.00 70.33 67.33 1nfa n THR 31 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1nfa n GLU 32 N -0.77 1.65 -0.00 -0.78 0.28 -1.26 -4.80 120.64 114.96 1nfa n GLU 32 Ca 0.39 -3.58 0.02 0.00 -0.16 0.00 0.00 57.16 53.83 1nfa n GLU 32 Cb 0.92 -1.54 -0.03 0.00 1.43 0.00 0.00 31.44 32.22 1nfa n GLU 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nfa n GLY 33 N -0.10 0.28 5.22 -1.84 0.00 -1.26 -5.03 105.19 102.45 1nfa n GLY 33 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1nfa n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nfa n SER 34 N -1.30 0.00 -3.48 1.61 2.88 -1.26 -3.90 113.62 108.16 1nfa n SER 34 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1nfa n SER 34 Cb 0.10 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.43 1nfa n SER 34 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1nfa s ARG 35 N 0.00 0.33 -0.51 -1.46 3.52 -1.26 -5.06 118.95 114.51 1nfa s ARG 35 Ca 0.00 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 1nfa s ARG 35 Cb 0.00 -1.07 0.16 0.00 -1.56 0.00 0.00 34.95 32.48 1nfa s ARG 35 CO 0.00 -1.08 0.37 0.20 -0.81 0.00 0.00 175.30 173.98 1nfa s GLY 36 N 1.85 1.86 0.51 8.12 0.00 -1.25 -5.11 107.32 113.30 1nfa s GLY 36 Ca 0.12 -2.93 -0.01 0.00 0.00 0.00 0.00 44.72 41.90 1nfa s GLY 36 CO -0.25 1.67 0.75 0.00 0.00 0.00 0.00 173.10 175.27 1nfa s ALA 37 N -0.38 3.66 -0.42 3.20 0.00 -1.26 -4.77 121.76 121.79 1nfa s ALA 37 Ca 0.27 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 1nfa s ALA 37 Cb -0.05 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 1nfa s ALA 37 CO -0.15 -0.57 2.32 1.55 0.00 0.00 0.00 175.76 178.92 1nfa n VAL 38 N -2.26 0.13 -3.69 0.00 3.14 -1.26 -4.88 118.33 109.50 1nfa n VAL 38 Ca 0.03 -0.45 -0.30 0.00 -2.96 0.00 0.00 64.34 60.67 1nfa n VAL 38 Cb 0.58 -2.11 -0.15 0.00 -1.06 0.00 0.00 33.84 31.10 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 7.15 0.66 -0.34 1.45 -2.85 -1.26 -4.19 119.74 120.36 1nfa s LYS 39 Ca 1.07 -1.06 0.06 0.00 -1.00 0.00 0.00 55.97 55.04 1nfa s LYS 39 Cb -0.56 -1.85 0.19 0.00 -2.06 0.00 0.00 37.83 33.54 1nfa s LYS 39 CO 0.39 -1.01 0.57 0.00 0.10 0.00 0.00 175.35 175.39 1nfa s ALA 40 N 1.59 -2.12 0.57 0.59 0.00 -1.26 -4.91 121.76 116.22 1nfa s ALA 40 Ca 0.11 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1nfa s ALA 40 Cb -0.18 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1nfa s ALA 40 CO -0.24 -1.98 0.00 0.45 0.00 0.00 0.00 175.76 173.99 1nfa n SER 41 N 4.99 -8.70 0.00 0.00 2.88 -1.26 -3.58 113.62 107.95 1nfa n SER 41 Ca 0.07 1.57 0.00 0.00 -1.33 0.00 0.00 58.87 59.18 1nfa n SER 41 Cb 0.54 -5.06 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 1nfa n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nfa n ALA 42 N -1.69 0.00 -2.19 -1.46 0.00 -1.26 -2.12 120.51 111.79 1nfa n ALA 42 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1nfa n ALA 42 Cb 0.22 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 0.47 0.00 0.00 0.00 -1.26 -5.06 105.19 99.34 1nfa n GLY 43 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.46 1.76 3.84 -0.02 0.00 -0.90 -4.44 105.19 104.96 1nfa n GLY 44 Ca -0.14 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1nfa n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nfa s HIS 45 N 0.00 3.33 0.72 1.61 3.76 -1.26 -4.77 115.29 118.69 1nfa s HIS 45 Ca 0.00 1.37 -0.12 0.00 -0.15 0.00 0.00 55.06 56.15 1nfa s HIS 45 Cb 0.00 -2.81 0.17 0.00 1.11 0.00 0.00 32.58 31.05 1nfa s HIS 45 CO 0.00 -0.99 0.88 -0.35 -0.85 0.00 0.00 174.74 173.43 1nfa n PRO 46 N -2.94 -1.30 -3.36 8.40 -0.04 -1.26 -4.70 135.00 129.80 1nfa n PRO 46 Ca 0.07 -1.37 -0.24 0.00 -0.04 0.00 0.00 63.50 61.91 1nfa n PRO 46 Cb 0.54 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.99 1nfa n PRO 46 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nfa s ILE 47 N -2.86 5.10 -0.03 0.52 -1.09 -1.20 -4.11 121.20 117.53 1nfa s ILE 47 Ca 0.52 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 1nfa s ILE 47 Cb -0.02 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1nfa s ILE 47 CO 0.37 -0.55 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.76 1nfa s VAL 48 N -2.31 0.73 -0.10 2.92 1.01 -0.87 -3.30 120.40 118.48 1nfa s VAL 48 Ca 0.40 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1nfa s VAL 48 Cb -0.10 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1nfa s VAL 48 CO 0.36 0.23 0.36 0.00 0.00 0.00 0.00 175.10 176.05 1nfa s GLN 49 N 0.23 0.52 -0.05 2.72 -2.07 -1.25 -2.39 119.66 117.36 1nfa s GLN 49 Ca -0.03 0.28 0.03 0.00 -1.82 0.00 0.00 55.36 53.82 1nfa s GLN 49 Cb -0.08 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 1nfa s GLN 49 CO 0.00 -0.10 -0.13 -1.17 -1.32 0.00 0.00 175.29 172.57 1nfa s LEU 50 N -0.33 2.81 -0.40 2.60 0.20 -1.26 -4.17 118.68 118.13 1nfa s LEU 50 Ca -0.05 -0.17 0.03 0.00 0.69 0.00 0.00 54.13 54.64 1nfa s LEU 50 Cb -0.03 -1.58 0.17 0.00 -0.43 0.00 0.00 46.19 44.31 1nfa s LEU 50 CO 0.02 0.35 0.32 -1.38 -0.29 0.00 0.00 176.35 175.37 1nfa s HIS 51 N -0.75 1.01 0.00 5.38 -3.43 -1.25 -4.79 115.29 111.46 1nfa s HIS 51 Ca 0.12 -2.21 0.00 0.00 -0.80 0.00 0.00 55.06 52.17 1nfa s HIS 51 Cb -0.11 -0.90 0.00 0.00 -1.43 0.00 0.00 32.58 30.14 1nfa s HIS 51 CO 0.01 -0.83 0.00 0.41 -2.00 0.00 0.00 174.74 172.33 1nfa n GLY 52 N 3.03 0.01 3.44 -1.38 0.00 -1.26 -4.19 105.19 104.84 1nfa n GLY 52 Ca 0.27 0.36 -0.58 0.00 0.00 0.00 0.00 46.02 46.07 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 0.68 0.46 1.61 9.36 -1.26 -4.83 117.16 123.18 1nfa n TYR 53 Ca 0.00 1.04 0.11 0.00 3.32 0.00 0.00 57.90 62.37 1nfa n TYR 53 Cb 0.00 -2.05 0.17 0.00 -0.63 0.00 0.00 39.34 36.83 1nfa n TYR 53 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1nfa n LEU 54 N 1.59 3.21 -4.74 2.98 4.77 -1.25 -4.11 117.00 119.44 1nfa n LEU 54 Ca 0.20 -1.37 -0.40 0.00 -0.03 0.00 0.00 56.01 54.41 1nfa n LEU 54 Cb 0.07 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1nfa n LEU 54 CO 0.61 0.66 0.66 -0.70 -1.33 0.00 0.00 177.39 177.29 1nfa s GLU 55 N -1.54 4.80 -1.06 3.23 -6.30 -1.26 -4.73 118.70 111.84 1nfa s GLU 55 Ca 0.33 1.50 -0.06 0.00 -2.50 0.00 0.00 54.97 54.23 1nfa s GLU 55 Cb 0.20 -3.30 -0.01 0.00 0.00 0.00 0.00 34.13 31.03 1nfa s GLU 55 CO 0.29 0.42 2.80 0.27 0.02 0.00 0.00 175.26 179.06 1nfa n ASN 56 N 1.84 7.57 -4.74 -1.70 0.23 -1.26 -4.48 115.26 112.72 1nfa n ASN 56 Ca -0.01 -2.90 -0.34 0.00 -0.53 0.00 0.00 54.58 50.81 1nfa n ASN 56 Cb 0.47 -1.40 -0.08 0.00 -2.08 0.00 0.00 39.78 36.69 1nfa n ASN 56 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1nfa s GLU 57 N -0.01 3.00 -0.21 -3.83 2.02 -1.26 -5.07 118.70 113.34 1nfa s GLU 57 Ca 0.61 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.85 1nfa s GLU 57 Cb 0.24 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1nfa s GLU 57 CO -0.10 0.67 1.10 -1.25 0.02 0.00 0.00 175.26 175.71 1nfa s PRO 58 N -1.38 4.26 0.34 0.39 0.04 -1.26 -4.57 135.00 132.82 1nfa s PRO 58 Ca 0.19 1.45 0.10 0.00 0.04 0.00 0.00 61.00 62.77 1nfa s PRO 58 Cb -0.12 -3.67 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 1nfa s PRO 58 CO 0.09 -0.64 -0.10 -0.51 0.04 0.00 0.00 177.00 175.87 1nfa s LEU 59 N 3.24 2.73 -0.12 -3.56 1.43 -0.70 -4.94 118.68 116.76 1nfa s LEU 59 Ca 0.47 -1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1nfa s LEU 59 Cb -0.17 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 1nfa s LEU 59 CO 0.09 -0.18 -0.08 0.00 0.23 0.00 0.00 176.35 176.41 1nfa s MET 60 N -3.60 3.31 -0.21 1.70 0.23 -1.26 -0.37 119.30 119.09 1nfa s MET 60 Ca 0.32 -0.59 -0.23 0.00 -1.03 0.00 0.00 55.69 54.16 1nfa s MET 60 Cb 0.02 -2.72 -0.01 0.00 -1.53 0.00 0.00 34.83 30.58 1nfa s MET 60 CO 0.16 0.35 0.75 -1.17 -2.03 0.00 0.00 175.02 173.09 1nfa s LEU 61 N 0.03 4.12 -1.20 0.18 0.20 -0.67 -4.19 118.68 117.14 1nfa s LEU 61 Ca -0.02 0.97 -0.10 0.00 0.69 0.00 0.00 54.13 55.67 1nfa s LEU 61 Cb -0.14 -3.08 0.20 0.00 -0.43 0.00 0.00 46.19 42.75 1nfa s LEU 61 CO 0.03 -0.40 1.53 0.00 -0.29 0.00 0.00 176.35 177.22 1nfa n GLN 62 N 5.53 3.62 -4.34 1.98 1.13 -0.98 -3.42 117.38 120.90 1nfa n GLN 62 Ca 0.03 -3.93 -0.26 0.00 -1.94 0.00 0.00 57.00 50.89 1nfa n GLN 62 Cb 0.49 -2.86 -0.10 0.00 0.11 0.00 0.00 30.24 27.88 1nfa n GLN 62 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1nfa s LEU 63 N 0.04 2.84 0.00 1.08 0.05 -1.17 -3.63 118.68 117.88 1nfa s LEU 63 Ca 0.39 -0.70 -0.17 0.00 0.05 0.00 0.00 54.13 53.69 1nfa s LEU 63 Cb 0.01 -1.50 0.06 0.00 -2.05 0.00 0.00 46.19 42.71 1nfa s LEU 63 CO 0.00 0.09 0.86 2.22 -0.55 0.00 0.00 176.35 178.97 1nfa n PHE 64 N -0.09 -1.61 -3.77 3.48 -1.74 -1.19 -1.17 117.46 111.37 1nfa n PHE 64 Ca -0.10 -1.33 -0.36 0.00 -0.56 0.00 0.00 57.45 55.10 1nfa n PHE 64 Cb 0.56 0.66 -0.11 0.00 1.52 0.00 0.00 39.48 42.10 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 -2.14 3.34 0.13 1.97 1.10 -1.26 -2.12 121.20 122.21 1nfa s ILE 65 Ca 0.18 -2.00 0.10 0.00 -0.51 0.00 0.00 60.65 58.43 1nfa s ILE 65 Cb -0.03 -3.26 -0.04 0.00 0.15 0.00 0.00 42.46 39.28 1nfa s ILE 65 CO 0.07 -0.66 -0.25 -0.83 -2.11 0.00 0.00 174.94 171.16 1nfa s GLY 66 N 1.84 1.61 0.38 1.50 0.00 -0.52 -3.99 107.32 108.15 1nfa s GLY 66 Ca 0.07 -1.44 -0.24 0.00 0.00 0.00 0.00 44.72 43.12 1nfa s GLY 66 CO -0.04 -1.42 0.98 -0.51 0.00 0.00 0.00 173.10 172.12 1nfa s THR 67 N -1.08 4.10 -0.22 0.90 -4.23 -0.77 0.15 115.64 114.49 1nfa s THR 67 Ca 0.15 1.55 -0.05 0.00 -1.18 0.00 0.00 61.69 62.16 1nfa s THR 67 Cb -0.10 -3.77 0.11 0.00 1.34 0.00 0.00 72.50 70.08 1nfa s THR 67 CO 0.07 -0.05 0.42 0.00 -0.54 0.00 0.00 174.62 174.52 1nfa s ALA 68 N -1.81 -1.22 -0.12 3.99 0.00 -1.26 -2.41 121.76 118.93 1nfa s ALA 68 Ca 0.57 1.35 0.15 0.00 0.00 0.00 0.00 51.96 54.03 1nfa s ALA 68 Cb -0.17 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.40 1nfa s ALA 68 CO 0.21 -0.96 1.12 0.38 0.00 0.00 0.00 175.76 176.52 1nfa h ASP 69 N 8.16 0.00 0.00 0.00 3.04 -1.95 -3.43 116.42 122.24 1nfa h ASP 69 Ca -0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 1nfa h ASP 69 Cb 1.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 1nfa h ASP 69 CO 0.18 0.59 -0.35 -0.67 -2.04 0.00 0.00 179.24 176.94 1nfa n ASP 70 N -3.07 0.07 0.00 4.15 -0.08 -1.26 -5.05 116.55 111.31 1nfa n ASP 70 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1nfa n ASP 70 Cb 0.81 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.27 1nfa n ASP 70 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1nfa n ARG 71 N -2.63 0.00 -1.54 -0.67 0.63 -1.26 -5.05 116.66 106.13 1nfa n ARG 71 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 1nfa n ARG 71 Cb 0.17 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.98 1nfa n ARG 71 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1nfa n LEU 72 N -0.66 1.11 -4.23 6.15 -0.00 -1.26 -4.88 117.00 113.22 1nfa n LEU 72 Ca 0.00 -1.37 -0.30 0.00 -0.00 0.00 0.00 56.01 54.34 1nfa n LEU 72 Cb 0.00 -1.44 0.17 0.00 -0.00 0.00 0.00 43.42 42.15 1nfa n LEU 72 CO 0.00 -2.46 -0.44 0.00 -0.00 0.00 0.00 177.39 174.49 1nfa n LEU 73 N 16.14 -2.13 -3.59 1.47 -0.00 -1.26 -4.67 117.00 122.96 1nfa n LEU 73 Ca 0.50 -0.21 -0.06 0.00 -0.00 0.00 0.00 56.01 56.25 1nfa n LEU 73 Cb 0.38 -0.92 -0.02 0.00 -0.00 0.00 0.00 43.42 42.86 1nfa n LEU 73 CO 0.65 -3.15 0.78 -0.13 -0.00 0.00 0.00 177.39 175.54 1nfa s ARG 74 N -3.49 0.79 -0.49 1.47 0.52 -1.01 -4.92 118.95 111.82 1nfa s ARG 74 Ca 0.53 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.10 1nfa s ARG 74 Cb -0.10 0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.72 1nfa s ARG 74 CO 0.60 -0.35 1.29 -1.25 0.02 0.00 0.00 175.30 175.61 1nfa s PRO 75 N -2.99 3.55 1.00 3.54 0.04 -1.26 -1.85 135.00 137.02 1nfa s PRO 75 Ca 0.08 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 61.55 1nfa s PRO 75 Cb -0.01 -4.01 -0.12 0.00 0.04 0.00 0.00 34.50 30.40 1nfa s PRO 75 CO -0.05 -1.61 -0.70 1.58 0.04 0.00 0.00 177.00 176.25 1nfa n HIS 76 N 8.63 -4.18 0.00 0.56 -0.00 -1.26 -4.82 115.22 114.16 1nfa n HIS 76 Ca 0.13 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.39 1nfa n HIS 76 Cb 0.49 -1.48 0.00 0.00 -0.12 0.00 0.00 29.99 28.88 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 -2.81 -0.11 -1.92 1.57 0.00 -1.26 -4.31 120.51 111.66 1nfa n ALA 77 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1nfa n ALA 77 Cb 0.58 0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.28 1nfa n ALA 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nfa n PHE 78 N -1.68 0.00 -2.66 0.00 3.01 -1.26 -5.00 117.46 109.87 1nfa n PHE 78 Ca 0.00 -0.37 -0.43 0.00 1.01 0.00 0.00 57.45 57.66 1nfa n PHE 78 Cb 0.00 -0.10 -0.02 0.00 -0.01 0.00 0.00 39.48 39.35 1nfa n PHE 78 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1nfa s TYR 79 N -0.70 3.26 0.00 1.38 1.51 -1.26 -4.77 117.35 116.77 1nfa s TYR 79 Ca 0.15 1.34 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 1nfa s TYR 79 Cb 0.15 -3.44 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 1nfa s TYR 79 CO -0.04 -0.60 0.57 0.00 -1.11 0.00 0.00 175.55 174.38 1nfa n GLN 80 N 6.54 0.00 -3.10 -0.62 -0.00 -1.26 -4.72 117.38 114.22 1nfa n GLN 80 Ca 0.12 -0.31 -0.32 0.00 -0.00 0.00 0.00 57.00 56.49 1nfa n GLN 80 Cb 0.47 0.18 -0.06 0.00 -0.00 0.00 0.00 30.24 30.83 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 0.00 4.71 -0.35 -0.39 -7.23 -1.26 -5.02 120.40 110.87 1nfa s VAL 81 Ca 0.00 0.86 -0.04 0.00 -1.81 0.00 0.00 61.98 60.99 1nfa s VAL 81 Cb 0.00 -3.63 0.24 0.00 0.56 0.00 0.00 36.38 33.55 1nfa s VAL 81 CO 0.00 -0.25 1.14 1.57 -0.31 0.00 0.00 175.10 177.25 1nfa n HIS 82 N -0.54 -0.84 -4.46 2.82 -0.00 -1.26 -4.31 115.22 106.64 1nfa n HIS 82 Ca 0.03 -0.74 -0.34 0.00 -0.00 0.00 0.00 57.72 56.68 1nfa n HIS 82 Cb 0.53 1.12 -0.12 0.00 -0.00 0.00 0.00 29.99 31.52 1nfa n HIS 82 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1nfa s ARG 83 N 0.61 3.62 -0.13 1.57 1.81 -1.25 -4.93 118.95 120.25 1nfa s ARG 83 Ca 0.25 -0.54 -0.05 0.00 -1.72 0.00 0.00 55.73 53.67 1nfa s ARG 83 Cb 0.16 -2.87 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1nfa s ARG 83 CO -0.10 0.25 0.05 0.42 -0.68 0.00 0.00 175.30 175.25 1nfa s ILE 84 N 0.32 4.75 0.00 1.52 1.09 -1.21 -4.24 121.20 123.44 1nfa s ILE 84 Ca -0.05 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 1nfa s ILE 84 Cb -0.14 -3.07 0.00 0.00 -1.06 0.00 0.00 42.46 38.19 1nfa s ILE 84 CO 0.03 0.56 0.00 0.35 -0.10 0.00 0.00 174.94 175.78 1nfa n THR 85 N 2.63 0.00 0.00 2.92 -2.24 -1.26 -5.01 114.28 111.32 1nfa n THR 85 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1nfa n THR 85 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.00 0.57 3.61 3.38 0.00 -1.26 -4.09 105.19 107.40 1nfa n GLY 86 Ca 0.00 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 1nfa n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfa s LYS 87 N 0.00 3.65 0.11 1.61 3.01 -1.26 -4.99 119.74 121.86 1nfa s LYS 87 Ca 0.00 1.06 -0.14 0.00 -1.01 0.00 0.00 55.97 55.88 1nfa s LYS 87 Cb 0.00 -4.00 -0.07 0.00 -1.01 0.00 0.00 37.83 32.75 1nfa s LYS 87 CO 0.00 -1.46 0.51 0.95 0.51 0.00 0.00 175.35 175.86 1nfa s THR 88 N 5.24 4.89 0.15 2.17 -4.23 -1.26 -5.04 115.64 117.56 1nfa s THR 88 Ca 0.61 0.84 0.04 0.00 -1.18 0.00 0.00 61.69 62.00 1nfa s THR 88 Cb -0.15 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 1nfa s THR 88 CO 0.30 0.34 0.14 0.54 -0.54 0.00 0.00 174.62 175.41 1nfa s VAL 89 N -1.35 4.58 -1.66 2.29 0.11 -1.26 -4.99 120.40 118.12 1nfa s VAL 89 Ca 0.34 -0.99 0.05 0.00 -2.93 0.00 0.00 61.98 58.46 1nfa s VAL 89 Cb -0.16 -3.32 0.19 0.00 -1.53 0.00 0.00 36.38 31.57 1nfa s VAL 89 CO 0.18 -0.06 1.06 -1.54 -3.33 0.00 0.00 175.10 171.41 1nfa n SER 90 N -0.22 1.41 -4.33 3.54 3.41 -1.26 -4.70 113.62 111.47 1nfa n SER 90 Ca -0.08 -2.07 -0.42 0.00 -0.26 0.00 0.00 58.87 56.03 1nfa n SER 90 Cb 0.54 -0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 1nfa n SER 90 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1nfa s THR 91 N -1.66 4.76 0.89 6.66 2.01 -1.26 -5.06 115.64 121.98 1nfa s THR 91 Ca 0.14 -1.23 -0.13 0.00 0.31 0.00 0.00 61.69 60.78 1nfa s THR 91 Cb 0.08 -3.88 0.05 0.00 0.01 0.00 0.00 72.50 68.76 1nfa s THR 91 CO 0.08 -0.55 0.63 1.07 -0.69 0.00 0.00 174.62 175.15 1nfa n THR 92 N 5.07 0.51 -4.29 -0.82 5.66 -1.26 -5.02 114.28 114.13 1nfa n THR 92 Ca -0.11 -0.20 -0.16 0.00 -3.05 0.00 0.00 64.05 60.53 1nfa n THR 92 Cb 0.43 -0.76 -0.10 0.00 -1.55 0.00 0.00 70.33 68.35 1nfa n THR 92 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1nfa s SER 93 N -2.04 1.07 -0.00 1.09 1.04 -1.26 -4.63 113.70 108.97 1nfa s SER 93 Ca 0.62 -1.50 -0.22 0.00 0.48 0.00 0.00 55.95 55.33 1nfa s SER 93 Cb -0.24 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.28 1nfa s SER 93 CO 0.63 -0.86 0.49 -2.28 0.98 0.00 0.00 173.24 172.20 1nfa s HIS 94 N -3.78 -0.41 -0.06 5.02 2.46 -0.74 -4.95 115.29 112.83 1nfa s HIS 94 Ca 0.38 0.59 0.04 0.00 0.47 0.00 0.00 55.06 56.53 1nfa s HIS 94 Cb 0.06 0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.78 1nfa s HIS 94 CO 0.16 -0.55 -0.17 -1.21 -2.47 0.00 0.00 174.74 170.51 1nfa s GLU 95 N -1.71 1.98 -0.14 2.88 2.02 -1.26 -1.83 118.70 120.64 1nfa s GLU 95 Ca -0.10 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1nfa s GLU 95 Cb -0.02 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.59 1nfa s GLU 95 CO 0.04 0.17 -0.13 0.00 0.02 0.00 0.00 175.26 175.36 1nfa s ALA 96 N 0.27 1.77 -0.06 5.21 0.00 -1.05 -4.98 121.76 122.93 1nfa s ALA 96 Ca -0.10 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1nfa s ALA 96 Cb -0.14 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1nfa s ALA 96 CO 0.04 -0.35 -0.18 -1.50 0.00 0.00 0.00 175.76 173.77 1nfa s ILE 97 N 1.46 1.53 -0.37 0.00 1.10 -1.26 -1.90 121.20 121.77 1nfa s ILE 97 Ca 0.04 -0.76 0.13 0.00 -0.51 0.00 0.00 60.65 59.55 1nfa s ILE 97 Cb -0.13 -1.33 0.44 0.00 0.15 0.00 0.00 42.46 41.59 1nfa s ILE 97 CO -0.09 0.44 0.99 0.00 -2.11 0.00 0.00 174.94 174.16 1nfa n LEU 98 N 3.29 2.49 -1.04 8.50 -0.00 -0.62 -5.00 117.00 124.62 1nfa n LEU 98 Ca -0.19 -4.30 0.00 0.00 -0.00 0.00 0.00 56.01 51.52 1nfa n LEU 98 Cb 0.53 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1nfa n LEU 98 CO 0.25 1.83 -0.08 -0.24 -0.00 0.00 0.00 177.39 179.15 1nfa n SER 99 N -0.17 -3.26 -3.44 1.45 2.88 -1.26 -4.50 113.62 105.32 1nfa n SER 99 Ca 0.20 0.29 -0.22 0.00 -1.33 0.00 0.00 58.87 57.80 1nfa n SER 99 Cb 0.75 -1.71 -0.03 0.00 -0.75 0.00 0.00 64.21 62.47 1nfa n SER 99 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nfa n ASN 100 N 0.32 -2.25 -3.23 -3.46 6.94 -1.26 -4.86 115.26 107.46 1nfa n ASN 100 Ca 0.00 -0.36 -0.02 0.00 -0.02 0.00 0.00 54.58 54.18 1nfa n ASN 100 Cb 0.00 -1.95 -0.03 0.00 -2.36 0.00 0.00 39.78 35.44 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 -2.73 -0.82 0.16 5.53 2.01 -1.26 -4.96 115.64 113.57 1nfa s THR 101 Ca 0.40 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1nfa s THR 101 Cb -0.23 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1nfa s THR 101 CO 0.49 -0.12 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.51 1nfa s LYS 102 N 2.70 2.25 0.26 4.92 2.47 -1.26 -1.58 119.74 129.49 1nfa s LYS 102 Ca 0.12 -1.14 -0.20 0.00 -1.56 0.00 0.00 55.97 53.19 1nfa s LYS 102 Cb -0.12 -2.29 0.02 0.00 -1.46 0.00 0.00 37.83 33.98 1nfa s LYS 102 CO -0.26 0.46 0.66 0.14 0.16 0.00 0.00 175.35 176.51 1nfa s VAL 103 N -1.63 0.00 -0.08 4.02 -7.23 -0.80 -4.82 120.40 109.87 1nfa s VAL 103 Ca 0.26 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 1nfa s VAL 103 Cb -0.09 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 1nfa s VAL 103 CO 0.17 -0.01 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.00 1nfa s LEU 104 N -2.91 2.43 -0.21 1.32 1.43 -0.32 -2.51 118.68 117.90 1nfa s LEU 104 Ca 0.11 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1nfa s LEU 104 Cb -0.04 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.74 1nfa s LEU 104 CO 0.05 0.25 -0.06 -1.61 0.23 0.00 0.00 176.35 175.21 1nfa s GLU 105 N -0.15 1.57 -0.28 1.70 2.02 -0.76 -3.06 118.70 119.74 1nfa s GLU 105 Ca -0.02 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.21 1nfa s GLU 105 Cb -0.14 -2.36 0.07 0.00 0.10 0.00 0.00 34.13 31.81 1nfa s GLU 105 CO 0.04 -0.52 -0.05 0.42 0.02 0.00 0.00 175.26 175.16 1nfa s ILE 106 N 1.50 2.01 -0.57 -1.63 1.01 -1.22 -1.80 121.20 120.50 1nfa s ILE 106 Ca -0.03 -1.72 -0.28 0.00 0.00 0.00 0.00 60.65 58.62 1nfa s ILE 106 Cb -0.17 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1nfa s ILE 106 CO -0.07 -0.22 1.47 -2.16 0.00 0.00 0.00 174.94 173.96 1nfa s PRO 107 N 1.13 3.22 0.23 2.79 0.04 -1.26 -1.67 135.00 139.48 1nfa s PRO 107 Ca -0.02 0.47 0.05 0.00 0.04 0.00 0.00 61.00 61.54 1nfa s PRO 107 Cb -0.19 -4.16 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 1nfa s PRO 107 CO -0.07 -2.04 -0.05 -0.51 0.04 0.00 0.00 177.00 174.37 1nfa s LEU 108 N 6.41 2.38 -0.51 -3.56 1.43 0.50 -4.85 118.68 120.47 1nfa s LEU 108 Ca 0.54 -1.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1nfa s LEU 108 Cb -0.11 -0.44 0.26 0.00 0.03 0.00 0.00 46.19 45.92 1nfa s LEU 108 CO 0.24 -0.39 0.65 0.00 0.23 0.00 0.00 176.35 177.09 1nfa n LEU 109 N -0.42 2.05 -1.82 1.79 -0.00 -1.26 -1.71 117.00 115.63 1nfa n LEU 109 Ca -0.06 -5.10 -0.08 0.00 -0.00 0.00 0.00 56.01 50.77 1nfa n LEU 109 Cb 0.63 -0.02 -0.09 0.00 -0.00 0.00 0.00 43.42 43.94 1nfa n LEU 109 CO 0.37 2.09 1.35 -0.81 -0.00 0.00 0.00 177.39 180.38 1nfa n PRO 110 N 1.03 1.61 0.00 1.47 -0.04 -1.26 -4.16 135.00 133.65 1nfa n PRO 110 Ca 0.26 -0.69 0.11 0.00 -0.04 0.00 0.00 63.50 63.13 1nfa n PRO 110 Cb 0.47 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1nfa n PRO 110 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nfa n GLU 111 N 1.91 0.10 -0.06 0.54 4.71 -1.26 -4.50 120.64 122.07 1nfa n GLU 111 Ca 0.25 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.16 57.27 1nfa n GLU 111 Cb 0.71 -1.51 -0.04 0.00 -1.01 0.00 0.00 31.44 29.59 1nfa n GLU 111 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1nfa n ASN 112 N -1.63 1.43 0.00 1.62 0.23 -1.26 -3.93 115.26 111.73 1nfa n ASN 112 Ca 0.03 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1nfa n ASN 112 Cb 0.37 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 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 -3.94 0.00 -3.56 0.53 3.41 -1.26 -5.08 113.62 103.72 1nfa n SER 113 Ca -0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.41 1nfa n SER 113 Cb 0.50 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 1nfa n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfa s MET 114 N 0.00 0.46 -0.14 4.33 0.23 -1.26 -5.06 119.30 117.86 1nfa s MET 114 Ca 0.00 1.07 -0.07 0.00 -1.03 0.00 0.00 55.69 55.66 1nfa s MET 114 Cb 0.00 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.80 1nfa s MET 114 CO 0.00 -0.14 0.10 0.50 -2.03 0.00 0.00 175.02 173.44 1nfa s ARG 115 N 2.41 3.61 -0.02 3.16 3.52 -1.26 -4.54 118.95 125.82 1nfa s ARG 115 Ca -0.06 -0.24 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 1nfa s ARG 115 Cb -0.08 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1nfa s ARG 115 CO -0.18 0.57 -0.25 0.00 -0.81 0.00 0.00 175.30 174.64 1nfa s ALA 116 N -0.46 2.05 -0.15 6.12 0.00 -1.01 -5.06 121.76 123.25 1nfa s ALA 116 Ca 0.11 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 1nfa s ALA 116 Cb -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1nfa s ALA 116 CO 0.02 0.49 -0.13 0.14 0.00 0.00 0.00 175.76 176.28 1nfa s VAL 117 N -0.55 2.89 -0.40 0.00 -7.23 -1.26 -2.05 120.40 111.81 1nfa s VAL 117 Ca 0.09 -0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 1nfa s VAL 117 Cb -0.10 -2.23 0.10 0.00 0.56 0.00 0.00 36.38 34.72 1nfa s VAL 117 CO -0.01 0.51 0.19 -0.63 -0.31 0.00 0.00 175.10 174.85 1nfa s ILE 118 N 0.66 3.29 -0.38 -0.62 1.01 -1.26 -4.90 121.20 119.00 1nfa s ILE 118 Ca -0.07 -1.98 0.12 0.00 0.00 0.00 0.00 60.65 58.71 1nfa s ILE 118 Cb -0.16 -3.22 0.41 0.00 0.01 0.00 0.00 42.46 39.50 1nfa s ILE 118 CO 0.02 -0.64 1.21 -0.90 0.00 0.00 0.00 174.94 174.64 1nfa n ASP 119 N 4.61 -0.89 -2.72 3.58 5.75 -1.26 -4.22 116.55 121.39 1nfa n ASP 119 Ca -0.03 -2.61 -0.05 0.00 -0.01 0.00 0.00 54.79 52.09 1nfa n ASP 119 Cb 0.42 0.58 0.04 0.00 -1.03 0.00 0.00 41.12 41.12 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 -3.61 2.42 0.00 0.00 0.00 -1.26 -3.29 121.76 116.02 1nfa s ALA 121 Ca 0.30 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1nfa s ALA 121 Cb 0.37 0.75 0.00 0.00 0.00 0.00 0.00 23.12 24.23 1nfa s ALA 121 CO -0.02 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1nfa n GLY 122 N -0.71 3.99 3.34 0.00 0.00 -1.26 -4.68 105.19 105.86 1nfa n GLY 122 Ca -0.03 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1nfa n GLY 122 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nfa s ILE 123 N -1.94 1.81 0.01 -0.61 -4.36 -1.26 -4.50 121.20 110.36 1nfa s ILE 123 Ca 0.00 -2.04 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1nfa s ILE 123 Cb 0.00 -1.93 -0.01 0.00 1.25 0.00 0.00 42.46 41.77 1nfa s ILE 123 CO 0.00 -0.42 -0.02 -0.22 0.24 0.00 0.00 174.94 174.52 1nfa s LEU 124 N -2.94 2.16 -0.26 0.37 2.96 -1.26 -5.03 118.68 114.68 1nfa s LEU 124 Ca 0.19 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1nfa s LEU 124 Cb -0.04 0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.74 1nfa s LEU 124 CO 0.07 -0.21 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.13 1nfa s LYS 125 N -1.03 3.02 0.27 1.98 2.20 -1.26 -4.72 119.74 120.20 1nfa s LYS 125 Ca -0.11 -0.87 0.25 0.00 -0.36 0.00 0.00 55.97 54.88 1nfa s LYS 125 Cb -0.07 -3.13 0.70 0.00 -1.51 0.00 0.00 37.83 33.82 1nfa s LYS 125 CO -0.01 -0.38 1.74 1.37 -0.36 0.00 0.00 175.35 177.71 1nfa h LEU 126 N 8.11 0.00 0.00 5.43 -0.00 -2.00 -3.47 115.31 123.38 1nfa h LEU 126 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1nfa h LEU 126 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1nfa h LEU 126 CO 0.59 0.00 0.00 -1.14 -0.00 0.00 0.00 178.44 177.89 1nfa n ARG 127 N -2.47 0.00 -1.34 0.17 0.63 -1.26 -4.76 116.66 107.63 1nfa n ARG 127 Ca 0.05 0.00 -0.54 0.00 -0.92 0.00 0.00 57.85 56.44 1nfa n ARG 127 Cb 0.45 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.24 1nfa n ARG 127 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1nfa n ASN 128 N 2.97 0.89 0.00 6.15 6.94 -1.26 -3.75 115.26 127.21 1nfa n ASN 128 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 54.58 55.07 1nfa n ASN 128 Cb 0.00 -0.97 0.00 0.00 -2.36 0.00 0.00 39.78 36.45 1nfa n ASN 128 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1nfa n SER 129 N 8.65 0.00 -1.02 0.53 3.41 -1.26 -5.03 113.62 118.90 1nfa n SER 129 Ca 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1nfa n SER 129 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1nfa n SER 129 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nfa n ASP 130 N 0.00 -1.67 -3.13 4.04 8.00 -1.25 -5.03 116.55 117.51 1nfa n ASP 130 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1nfa n ASP 130 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1nfa n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nfa n ILE 131 N -1.02 0.62 0.00 0.53 3.06 -1.26 -4.99 119.36 116.30 1nfa n ILE 131 Ca 0.00 -4.82 0.00 0.00 -2.50 0.00 0.00 62.75 55.43 1nfa n ILE 131 Cb 0.42 -0.53 0.00 0.00 0.54 0.00 0.00 39.64 40.07 1nfa n ILE 131 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1nfa n GLU 132 N 0.15 0.00 -3.68 9.51 2.13 -1.26 -5.06 120.64 122.43 1nfa n GLU 132 Ca 0.26 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.98 1nfa n GLU 132 Cb 0.60 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.21 1nfa n GLU 132 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1nfa s LEU 133 N 0.00 -0.30 -0.01 4.31 2.96 -1.26 -5.03 118.68 119.34 1nfa s LEU 133 Ca 0.00 1.09 0.11 0.00 -0.22 0.00 0.00 54.13 55.11 1nfa s LEU 133 Cb 0.00 1.70 -0.17 0.00 0.50 0.00 0.00 46.19 48.22 1nfa s LEU 133 CO 0.00 -0.20 0.26 -2.11 -1.32 0.00 0.00 176.35 172.98 1nfa n ARG 134 N 4.03 0.55 -2.59 1.98 1.85 -1.26 -4.30 116.66 116.94 1nfa n ARG 134 Ca -0.21 -0.09 -0.43 0.00 -1.00 0.00 0.00 57.85 56.12 1nfa n ARG 134 Cb 0.56 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.73 1nfa n ARG 134 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1nfa n LYS 135 N -1.84 3.27 0.00 2.89 5.02 -1.26 -4.92 118.16 121.32 1nfa n LYS 135 Ca -0.02 -3.44 0.00 0.00 -2.02 0.00 0.00 58.31 52.83 1nfa n LYS 135 Cb 0.28 -3.24 0.00 0.00 -0.02 0.00 0.00 35.03 32.05 1nfa n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nfa n GLY 136 N 4.46 -2.72 3.70 0.72 0.00 -1.26 -4.68 105.19 105.40 1nfa n GLY 136 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.01 1.61 2.13 -1.26 -4.59 120.64 115.52 1nfa n GLU 137 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 1nfa n GLU 137 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1nfa n GLU 137 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1nfa n THR 138 N 0.00 0.81 -1.49 6.31 5.66 -1.26 -5.08 114.28 119.22 1nfa n THR 138 Ca 0.00 -4.53 0.00 0.00 -3.05 0.00 0.00 64.05 56.47 1nfa n THR 138 Cb 0.00 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 1nfa n THR 138 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1nfa n ASP 139 N 0.07 0.00 0.07 1.09 5.75 -1.26 -4.99 116.55 117.28 1nfa n ASP 139 Ca 0.24 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 55.14 1nfa n ASP 139 Cb 0.64 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.94 1nfa n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nfa n ILE 140 N 0.21 0.41 -1.27 2.12 0.13 -1.26 -5.01 119.36 114.68 1nfa n ILE 140 Ca 0.00 -0.28 0.00 0.00 -1.10 0.00 0.00 62.75 61.37 1nfa n ILE 140 Cb 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 39.64 38.58 1nfa n ILE 140 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1nfa n GLY 141 N 1.33 -4.46 2.95 4.50 0.00 -1.26 -5.03 105.19 103.21 1nfa n GLY 141 Ca 0.04 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 1nfa n GLY 141 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nfa s ARG 142 N -3.01 0.18 -0.29 1.61 6.06 -1.26 -5.11 118.95 117.13 1nfa s ARG 142 Ca 0.00 0.61 0.02 0.00 -2.50 0.00 0.00 55.73 53.86 1nfa s ARG 142 Cb 0.00 -0.33 0.08 0.00 0.06 0.00 0.00 34.95 34.76 1nfa s ARG 142 CO 0.00 -0.40 0.00 0.21 -2.50 0.00 0.00 175.30 172.61 1nfa s LYS 143 N 2.42 1.50 -0.28 5.12 2.20 -1.26 -4.41 119.74 125.02 1nfa s LYS 143 Ca 0.04 -1.40 -0.22 0.00 -0.36 0.00 0.00 55.97 54.02 1nfa s LYS 143 Cb -0.13 -2.77 0.13 0.00 -1.51 0.00 0.00 37.83 33.55 1nfa s LYS 143 CO -0.10 -0.79 1.02 0.54 -0.36 0.00 0.00 175.35 175.66 1nfa s ASN 144 N 1.20 -0.46 -0.42 1.43 4.22 -1.26 -4.99 114.94 114.65 1nfa s ASN 144 Ca 0.03 0.84 0.08 0.00 -2.14 0.00 0.00 52.86 51.67 1nfa s ASN 144 Cb -0.19 0.96 0.37 0.00 1.28 0.00 0.00 41.25 43.67 1nfa s ASN 144 CO -0.10 -0.14 1.28 0.35 -2.04 0.00 0.00 177.10 176.44 1nfa n THR 145 N 2.70 0.00 -2.94 0.54 -2.24 -1.26 -4.98 114.28 106.09 1nfa n THR 145 Ca -0.14 -1.50 -0.19 0.00 -2.27 0.00 0.00 64.05 59.94 1nfa n THR 145 Cb 0.56 1.18 0.05 0.00 -2.10 0.00 0.00 70.33 70.02 1nfa n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nfa s ARG 146 N 0.22 2.41 0.17 -0.78 1.70 -1.26 -3.19 118.95 118.22 1nfa s ARG 146 Ca 0.22 -1.38 -0.00 0.00 -0.47 0.00 0.00 55.73 54.09 1nfa s ARG 146 Cb 0.36 -2.63 -0.04 0.00 -0.57 0.00 0.00 34.95 32.07 1nfa s ARG 146 CO -0.08 -0.74 0.08 0.14 -1.08 0.00 0.00 175.30 173.62 1nfa s VAL 147 N -2.64 0.18 -0.27 4.99 -7.23 -1.21 -4.46 120.40 109.78 1nfa s VAL 147 Ca 0.60 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1nfa s VAL 147 Cb -0.07 -2.26 0.15 0.00 0.56 0.00 0.00 36.38 34.76 1nfa s VAL 147 CO 0.38 -0.27 0.49 -0.13 -0.31 0.00 0.00 175.10 175.26 1nfa s ARG 148 N -4.07 0.45 -0.40 4.82 0.52 0.40 -4.42 118.95 116.26 1nfa s ARG 148 Ca 0.30 0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 56.07 1nfa s ARG 148 Cb 0.07 0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.67 1nfa s ARG 148 CO 0.06 -0.56 1.05 -1.17 0.02 0.00 0.00 175.30 174.70 1nfa s LEU 149 N 2.70 3.85 0.06 2.53 2.96 -1.24 -1.43 118.68 128.12 1nfa s LEU 149 Ca 0.13 0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 54.58 1nfa s LEU 149 Cb -0.15 -3.45 -0.06 0.00 0.50 0.00 0.00 46.19 43.04 1nfa s LEU 149 CO -0.18 -1.01 0.42 -0.69 -1.32 0.00 0.00 176.35 173.57 1nfa s VAL 150 N 3.89 5.05 -0.16 1.68 1.01 -0.90 -2.08 120.40 128.89 1nfa s VAL 150 Ca 0.44 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 1nfa s VAL 150 Cb -0.10 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1nfa s VAL 150 CO 0.23 0.37 0.01 -0.36 0.00 0.00 0.00 175.10 175.35 1nfa s PHE 151 N -1.31 1.11 -0.23 5.22 0.08 0.04 -3.15 117.98 119.75 1nfa s PHE 151 Ca 0.31 -0.76 -0.03 0.00 0.12 0.00 0.00 56.93 56.56 1nfa s PHE 151 Cb -0.15 -1.04 0.11 0.00 -0.57 0.00 0.00 43.02 41.36 1nfa s PHE 151 CO 0.17 -0.55 0.24 -0.98 -0.10 0.00 0.00 175.22 173.99 1nfa s ARG 152 N 1.83 0.23 -0.14 0.44 1.70 -1.24 -1.03 118.95 120.74 1nfa s ARG 152 Ca 0.01 0.07 -0.17 0.00 -0.47 0.00 0.00 55.73 55.16 1nfa s ARG 152 Cb -0.16 -1.05 -0.04 0.00 -0.57 0.00 0.00 34.95 33.14 1nfa s ARG 152 CO -0.07 -0.78 0.45 0.54 -1.08 0.00 0.00 175.30 174.36 1nfa s VAL 153 N 2.32 5.19 -0.19 4.99 0.11 -1.26 -2.32 120.40 129.25 1nfa s VAL 153 Ca 0.08 0.88 0.01 0.00 -2.93 0.00 0.00 61.98 60.03 1nfa s VAL 153 Cb -0.15 -3.79 0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1nfa s VAL 153 CO -0.19 0.31 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.72 1nfa s HIS 154 N 0.80 2.71 -0.09 1.54 3.76 -1.26 -3.52 115.29 119.23 1nfa s HIS 154 Ca 0.24 -1.69 -0.07 0.00 -0.15 0.00 0.00 55.06 53.39 1nfa s HIS 154 Cb -0.15 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1nfa s HIS 154 CO 0.09 -0.79 0.16 0.54 -0.85 0.00 0.00 174.74 173.90 1nfa s VAL 155 N 1.30 5.47 -0.29 -0.90 0.11 -0.77 -4.69 120.40 120.63 1nfa s VAL 155 Ca 0.02 0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 1nfa s VAL 155 Cb -0.15 -3.44 -0.00 0.00 -1.53 0.00 0.00 36.38 31.26 1nfa s VAL 155 CO -0.10 0.56 1.33 -2.16 -3.33 0.00 0.00 175.10 171.40 1nfa s PRO 156 N -1.20 3.91 0.23 1.54 0.04 -1.26 -4.75 135.00 133.50 1nfa s PRO 156 Ca 0.18 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1nfa s PRO 156 Cb -0.12 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 1nfa s PRO 156 CO 0.07 -1.13 0.09 -0.65 0.04 0.00 0.00 177.00 175.42 1nfa s GLN 157 N 4.21 1.29 -0.03 4.56 -1.52 -1.26 -5.09 119.66 121.81 1nfa s GLN 157 Ca 0.58 -1.68 -0.03 0.00 -1.95 0.00 0.00 55.36 52.27 1nfa s GLN 157 Cb -0.17 -0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.51 1nfa s GLN 157 CO 0.24 -0.30 0.21 -1.00 -0.25 0.00 0.00 175.29 174.18 1nfa h PRO 158 N 2.51 -0.10 0.00 2.91 0.13 -2.02 -3.41 132.00 132.02 1nfa h PRO 158 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1nfa h PRO 158 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1nfa h PRO 158 CO 0.59 -0.07 0.00 0.43 -0.23 0.00 0.00 178.00 178.72 1nfa n SER 159 N -3.31 0.00 0.00 1.44 7.64 -1.26 -4.97 113.62 113.15 1nfa n SER 159 Ca -0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1nfa n SER 159 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1nfa n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfa n GLY 160 N -0.37 2.78 3.58 0.23 0.00 -1.26 -5.03 105.19 105.11 1nfa n GLY 160 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 3.84 0.00 1.61 0.52 -1.26 -4.54 118.95 119.11 1nfa s ARG 161 Ca 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.31 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 -2.43 0.00 2.41 0.02 0.00 0.00 175.30 175.30 1nfa n THR 162 N 6.55 0.00 -3.86 0.02 -1.04 -1.26 -5.06 114.28 109.63 1nfa n THR 162 Ca 0.48 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.19 1nfa n THR 162 Cb 0.46 -0.01 -0.15 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.09 3.46 -0.30 -4.42 2.96 -1.26 -4.86 118.68 114.17 1nfa s LEU 163 Ca 0.00 -2.17 -0.11 0.00 -0.22 0.00 0.00 54.13 51.63 1nfa s LEU 163 Cb 0.00 -1.26 0.14 0.00 0.50 0.00 0.00 46.19 45.58 1nfa s LEU 163 CO 0.00 -0.35 0.76 -0.55 -1.32 0.00 0.00 176.35 174.88 1nfa s SER 164 N 0.90 -0.98 0.28 3.68 0.15 -1.24 -1.85 113.70 114.64 1nfa s SER 164 Ca 0.13 1.28 0.01 0.00 0.70 0.00 0.00 55.95 58.06 1nfa s SER 164 Cb -0.20 2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 66.17 1nfa s SER 164 CO -0.11 -0.19 0.28 -0.76 1.20 0.00 0.00 173.24 173.66 1nfa s LEU 165 N 2.76 1.27 -0.40 3.45 1.43 -1.23 -5.00 118.68 120.97 1nfa s LEU 165 Ca -0.03 -1.50 0.07 0.00 -1.03 0.00 0.00 54.13 51.64 1nfa s LEU 165 Cb -0.10 0.78 0.24 0.00 0.03 0.00 0.00 46.19 47.14 1nfa s LEU 165 CO -0.19 -1.04 0.55 0.00 0.23 0.00 0.00 176.35 175.90 1nfa n GLN 166 N -0.47 0.68 -2.90 1.70 6.02 -1.26 -4.04 117.38 117.11 1nfa n GLN 166 Ca 0.04 -3.05 -0.43 0.00 -0.01 0.00 0.00 57.00 53.55 1nfa n GLN 166 Cb 0.63 -1.27 -0.05 0.00 1.02 0.00 0.00 30.24 30.57 1nfa n GLN 166 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nfa s VAL 167 N -0.87 4.49 -0.29 5.09 1.01 -0.20 -4.84 120.40 124.79 1nfa s VAL 167 Ca 0.34 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1nfa s VAL 167 Cb 0.16 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 32.09 1nfa s VAL 167 CO -0.13 -1.03 0.03 0.00 0.00 0.00 0.00 175.10 173.96 1nfa s ALA 168 N 3.68 2.90 0.00 5.51 0.00 -1.26 -0.78 121.76 131.81 1nfa s ALA 168 Ca 0.28 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1nfa s ALA 168 Cb -0.14 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1nfa s ALA 168 CO 0.18 -1.06 -0.04 -1.54 0.00 0.00 0.00 175.76 173.30 1nfa s SER 169 N 1.37 0.51 0.00 0.00 1.04 -0.88 -4.91 113.70 110.84 1nfa s SER 169 Ca -0.01 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1nfa s SER 169 Cb -0.18 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1nfa s SER 169 CO -0.00 0.02 0.00 -3.20 0.98 0.00 0.00 173.24 171.04 1nfa n ASN 170 N 2.83 0.00 -4.08 7.02 2.85 -1.26 -3.66 115.26 118.96 1nfa n ASN 170 Ca -0.14 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.93 1nfa n ASN 170 Cb 0.58 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.58 1nfa n ASN 170 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1nfa n PRO 171 N 0.00 2.47 -3.79 1.20 -0.04 -1.26 -4.75 135.00 128.83 1nfa n PRO 171 Ca 0.00 -2.61 -0.18 0.00 -0.04 0.00 0.00 63.50 60.67 1nfa n PRO 171 Cb 0.00 -3.34 -0.17 0.00 -0.04 0.00 0.00 33.50 29.95 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 5.08 0.03 -0.00 0.52 1.01 -1.26 -4.54 121.20 122.04 1nfa s ILE 172 Ca 0.54 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.40 1nfa s ILE 172 Cb 0.09 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.36 1nfa s ILE 172 CO 0.04 0.15 0.04 -1.61 0.00 0.00 0.00 174.94 173.55 1nfa s GLU 173 N 1.43 0.20 0.09 2.79 2.02 -1.26 -3.30 118.70 120.68 1nfa s GLU 173 Ca -0.04 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1nfa s GLU 173 Cb -0.13 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.19 1nfa s GLU 173 CO -0.03 -0.04 0.04 0.00 0.02 0.00 0.00 175.26 175.25 1nfa n SER 175 N -1.54 0.00 -1.30 0.00 3.41 -1.26 -4.53 113.62 108.39 1nfa n SER 175 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.74 1nfa n SER 175 Cb 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1nfa n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfa n GLN 176 N 0.00 -2.69 0.00 4.33 1.13 -1.26 -4.98 117.38 113.90 1nfa n GLN 176 Ca 0.00 2.08 0.00 0.00 -1.94 0.00 0.00 57.00 57.14 1nfa n GLN 176 Cb 0.00 -3.28 0.00 0.00 0.11 0.00 0.00 30.24 27.07 1nfa n GLN 176 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1nfa n ARG 177 N -4.01 0.00 -0.60 -1.09 0.63 -1.26 -5.19 116.66 105.15 1nfa n ARG 177 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1nfa n ARG 177 Cb 0.63 -0.13 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1nfa n ARG 177 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57