#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 1.05 2.03 0.03 -2.85 -1.26 -5.13 119.74 113.61 1nfa s LYS 2 Ca 0.00 0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.15 1nfa s LYS 2 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1nfa s LYS 2 CO 0.00 -0.34 0.00 -3.47 0.10 0.00 0.00 175.35 171.64 1nfa n ASP 3 N 0.76 -1.11 -0.11 0.03 2.03 -1.26 -4.62 116.55 112.27 1nfa n ASP 3 Ca -0.18 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.92 1nfa n ASP 3 Cb 0.58 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.89 1nfa n ASP 3 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1nfa n TRP 4 N -0.15 0.00 0.00 -0.67 4.27 -1.26 -5.01 117.44 114.62 1nfa n TRP 4 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1nfa n TRP 4 Cb 0.00 -0.81 0.00 0.00 -1.36 0.00 0.00 31.31 29.14 1nfa n TRP 4 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 1nfa n GLN 5 N -3.67 0.00 -3.12 -2.67 7.27 -1.26 -5.05 117.38 108.88 1nfa n GLN 5 Ca -0.42 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.44 1nfa n GLN 5 Cb 0.85 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.46 1nfa n GLN 5 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1nfa n LEU 6 N 0.00 2.05 -4.58 1.69 4.77 -1.26 -5.06 117.00 114.61 1nfa n LEU 6 Ca 0.00 -5.22 -0.42 0.00 -0.03 0.00 0.00 56.01 50.34 1nfa n LEU 6 Cb 0.00 0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1nfa n LEU 6 CO 0.00 2.29 1.15 -2.16 -1.33 0.00 0.00 177.39 177.35 1nfa s PRO 7 N -2.70 3.48 -0.27 3.23 0.04 -1.26 -4.84 135.00 132.68 1nfa s PRO 7 Ca 0.43 0.44 0.22 0.00 0.04 0.00 0.00 61.00 62.13 1nfa s PRO 7 Cb 0.31 -4.04 0.50 0.00 0.04 0.00 0.00 34.50 31.32 1nfa s PRO 7 CO -0.10 -1.71 1.10 -1.13 0.04 0.00 0.00 177.00 175.20 1nfa n SER 8 N 8.78 1.70 -3.79 6.66 3.41 -1.26 -5.07 113.62 124.05 1nfa n SER 8 Ca 0.11 -2.16 -0.14 0.00 -0.26 0.00 0.00 58.87 56.42 1nfa n SER 8 Cb 0.49 -0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 1nfa n SER 8 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nfa s HIS 9 N -3.73 0.01 -0.11 7.33 3.76 -1.26 -5.14 115.29 116.16 1nfa s HIS 9 Ca 0.28 0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1nfa s HIS 9 Cb 0.34 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.86 1nfa s HIS 9 CO -0.03 -0.07 -0.23 0.45 -0.85 0.00 0.00 174.74 174.01 1nfa s SER 10 N 0.81 3.03 0.00 1.40 0.15 -1.26 -5.05 113.70 112.78 1nfa s SER 10 Ca -0.07 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1nfa s SER 10 Cb -0.10 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1nfa s SER 10 CO -0.02 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1nfa n GLY 11 N 3.68 3.53 0.00 9.45 0.00 -1.26 -5.07 105.19 115.52 1nfa n GLY 11 Ca -0.19 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.70 0.00 -1.72 1.61 -0.04 -1.26 -4.86 135.00 128.03 1nfa n PRO 12 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1nfa n PRO 12 Cb 0.00 -0.06 0.03 0.00 -0.04 0.00 0.00 33.50 33.44 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 0.00 2.14 0.00 0.54 4.01 -1.26 -4.78 117.16 117.81 1nfa n TYR 13 Ca 0.00 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 1nfa n TYR 13 Cb 0.00 -2.36 0.00 0.00 -0.31 0.00 0.00 39.34 36.67 1nfa n TYR 13 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1nfa n GLU 14 N -0.60 0.00 -3.49 -0.72 2.13 -1.17 -4.84 120.64 111.94 1nfa n GLU 14 Ca 0.09 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.51 1nfa n GLU 14 Cb 0.43 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.04 1nfa n GLU 14 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1nfa s LEU 15 N 0.00 4.34 -0.12 4.31 0.05 -1.26 -0.59 118.68 125.41 1nfa s LEU 15 Ca 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 54.13 53.95 1nfa s LEU 15 Cb 0.00 -2.22 -0.02 0.00 -2.05 0.00 0.00 46.19 41.90 1nfa s LEU 15 CO 0.00 -0.22 -0.07 -0.60 -0.55 0.00 0.00 176.35 174.91 1nfa s ARG 16 N 1.85 3.33 0.46 1.48 3.52 -1.04 -4.82 118.95 123.73 1nfa s ARG 16 Ca 0.09 -0.57 -0.25 0.00 -0.13 0.00 0.00 55.73 54.87 1nfa s ARG 16 Cb -0.17 -2.75 -0.08 0.00 -1.56 0.00 0.00 34.95 30.40 1nfa s ARG 16 CO 0.11 0.36 1.41 0.42 -0.81 0.00 0.00 175.30 176.79 1nfa s ILE 17 N 0.02 2.09 -0.04 4.11 1.09 -1.26 -3.86 121.20 123.35 1nfa s ILE 17 Ca -0.01 0.08 -0.22 0.00 -1.10 0.00 0.00 60.65 59.40 1nfa s ILE 17 Cb -0.14 -3.04 -0.16 0.00 -1.06 0.00 0.00 42.46 38.06 1nfa s ILE 17 CO 0.03 0.01 0.94 -0.08 -0.10 0.00 0.00 174.94 175.74 1nfa h GLU 18 N 2.20 -0.22 -5.76 2.79 4.57 -1.87 -3.45 114.58 112.84 1nfa h GLU 18 Ca -0.51 0.02 -0.68 0.00 -1.18 0.00 0.00 59.36 57.01 1nfa h GLU 18 Cb 1.27 0.05 -0.32 0.00 -0.16 0.00 0.00 28.75 29.59 1nfa h GLU 18 CO 0.61 0.20 -0.88 0.08 -1.18 0.00 0.00 179.01 177.83 1nfa s VAL 19 N -3.61 2.02 -0.59 0.32 1.01 -1.26 -5.02 120.40 113.27 1nfa s VAL 19 Ca -0.13 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 60.87 1nfa s VAL 19 Cb 0.01 -1.72 0.20 0.00 0.00 0.00 0.00 36.38 34.86 1nfa s VAL 19 CO 0.49 0.56 0.53 1.67 0.00 0.00 0.00 175.10 178.35 1nfa n GLN 20 N 3.14 1.50 -0.99 2.72 -0.06 -1.26 -3.53 117.38 118.90 1nfa n GLN 20 Ca -0.18 -4.09 -0.17 0.00 -2.00 0.00 0.00 57.00 50.56 1nfa n GLN 20 Cb 0.52 -2.01 0.13 0.00 -4.06 0.00 0.00 30.24 24.82 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 1.80 -1.10 -1.53 3.69 -0.04 -1.26 -4.90 135.00 131.66 1nfa n PRO 21 Ca 0.25 -1.16 -0.55 0.00 -0.04 0.00 0.00 63.50 62.00 1nfa n PRO 21 Cb 0.42 -0.83 -0.07 0.00 -0.04 0.00 0.00 33.50 32.98 1nfa n PRO 21 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1nfa n LYS 22 N -2.83 0.48 -1.78 0.54 0.00 -1.26 -4.85 118.16 108.47 1nfa n LYS 22 Ca 0.10 0.17 -0.28 0.00 -0.00 0.00 0.00 58.31 58.30 1nfa n LYS 22 Cb 0.34 -1.69 0.04 0.00 -0.00 0.00 0.00 35.03 33.72 1nfa n LYS 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nfa n SER 23 N 1.91 5.92 -4.93 -5.58 2.88 -1.26 -4.95 113.62 107.61 1nfa n SER 23 Ca 0.19 -3.76 -0.20 0.00 -1.33 0.00 0.00 58.87 53.77 1nfa n SER 23 Cb 0.14 -0.57 -0.02 0.00 -0.75 0.00 0.00 64.21 63.02 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 -3.68 2.96 -0.40 0.66 -3.43 -1.26 -4.05 115.29 106.10 1nfa s HIS 24 Ca 0.56 -0.30 0.06 0.00 -0.80 0.00 0.00 55.06 54.58 1nfa s HIS 24 Cb 0.45 -1.98 0.17 0.00 -1.43 0.00 0.00 32.58 29.79 1nfa s HIS 24 CO 0.02 0.01 0.52 -1.58 -2.00 0.00 0.00 174.74 171.70 1nfa s HIS 25 N -2.27 -1.06 -1.36 0.38 2.46 -1.26 -5.02 115.29 107.15 1nfa s HIS 25 Ca 0.45 -0.27 -0.13 0.00 0.47 0.00 0.00 55.06 55.58 1nfa s HIS 25 Cb -0.08 -0.02 0.09 0.00 -0.13 0.00 0.00 32.58 32.45 1nfa s HIS 25 CO 0.29 -1.08 1.98 -2.13 -2.47 0.00 0.00 174.74 171.33 1nfa n ARG 26 N 4.29 3.17 -2.31 2.88 0.00 -1.26 -4.71 116.66 118.72 1nfa n ARG 26 Ca 0.11 -3.08 -0.35 0.00 -0.00 0.00 0.00 57.85 54.53 1nfa n ARG 26 Cb 0.52 -3.20 -0.01 0.00 0.00 0.00 0.00 32.46 29.76 1nfa n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nfa s ALA 27 N 2.46 2.80 0.46 5.13 0.00 -1.26 -4.98 121.76 126.38 1nfa s ALA 27 Ca 0.46 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 1nfa s ALA 27 Cb 0.10 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 1nfa s ALA 27 CO -0.03 -0.66 1.16 -3.38 0.00 0.00 0.00 175.76 172.86 1nfa s HIS 28 N -1.74 2.87 -0.45 0.00 -3.43 -1.26 -4.75 115.29 106.53 1nfa s HIS 28 Ca 0.69 1.54 0.03 0.00 -0.80 0.00 0.00 55.06 56.51 1nfa s HIS 28 Cb -0.24 -3.37 0.15 0.00 -1.43 0.00 0.00 32.58 27.69 1nfa s HIS 28 CO 0.28 -1.50 0.29 0.71 -2.00 0.00 0.00 174.74 172.52 1nfa s TYR 29 N -1.56 1.78 -2.60 0.38 2.02 -1.26 -4.98 117.35 111.14 1nfa s TYR 29 Ca 0.64 -2.39 0.00 0.00 -0.37 0.00 0.00 57.07 54.95 1nfa s TYR 29 Cb -0.28 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 1nfa s TYR 29 CO 0.34 -0.77 0.00 -1.91 -1.57 0.00 0.00 175.55 171.64 1nfa n GLU 30 N 3.28 0.00 -1.37 -0.62 2.13 -1.26 -4.52 120.64 118.28 1nfa n GLU 30 Ca 0.15 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.90 1nfa n GLU 30 Cb 0.38 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.20 1nfa n GLU 30 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1nfa n THR 31 N 4.67 2.16 0.00 6.31 5.66 -1.26 -4.66 114.28 127.16 1nfa n THR 31 Ca 0.00 -3.50 0.00 0.00 -3.05 0.00 0.00 64.05 57.50 1nfa n THR 31 Cb 0.00 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.33 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 -0.82 2.71 -2.18 1.09 0.28 -1.26 -5.02 120.64 115.44 1nfa n GLU 32 Ca 0.28 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.86 1nfa n GLU 32 Cb 0.84 -0.93 -0.03 0.00 1.43 0.00 0.00 31.44 32.75 1nfa n GLU 32 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1nfa s GLY 33 N -2.44 2.34 -0.04 -1.84 0.00 -1.26 -4.95 107.32 99.13 1nfa s GLY 33 Ca 0.00 1.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.82 1nfa s GLY 33 CO 0.00 2.16 -0.08 -1.26 0.00 0.00 0.00 173.10 173.92 1nfa n SER 34 N 2.86 0.46 -4.56 1.64 2.88 -1.26 -4.77 113.62 110.87 1nfa n SER 34 Ca 0.07 0.08 -0.37 0.00 -1.33 0.00 0.00 58.87 57.32 1nfa n SER 34 Cb 0.42 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.32 1nfa n SER 34 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1nfa s ARG 35 N -1.45 3.30 -0.21 -1.46 1.81 -1.26 -4.94 118.95 114.74 1nfa s ARG 35 Ca -0.07 -1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 52.89 1nfa s ARG 35 Cb 0.01 -5.30 -0.01 0.00 -0.45 0.00 0.00 34.95 29.20 1nfa s ARG 35 CO 0.10 -2.64 -0.03 0.20 -0.68 0.00 0.00 175.30 172.25 1nfa s GLY 36 N 5.79 1.64 0.05 -3.53 0.00 -1.26 -5.03 107.32 104.99 1nfa s GLY 36 Ca 0.55 -1.10 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 1nfa s GLY 36 CO -0.04 0.34 1.19 0.00 0.00 0.00 0.00 173.10 174.60 1nfa s ALA 37 N 1.28 -2.10 -0.27 3.20 0.00 -1.26 -5.06 121.76 117.56 1nfa s ALA 37 Ca 0.04 0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.97 1nfa s ALA 37 Cb -0.14 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1nfa s ALA 37 CO -0.01 -1.09 0.64 0.54 0.00 0.00 0.00 175.76 175.84 1nfa s VAL 38 N -2.33 4.96 -0.28 0.00 0.11 -1.26 -4.99 120.40 116.61 1nfa s VAL 38 Ca 0.21 1.07 0.01 0.00 -2.93 0.00 0.00 61.98 60.33 1nfa s VAL 38 Cb 0.01 -3.96 0.17 0.00 -1.53 0.00 0.00 36.38 31.06 1nfa s VAL 38 CO -0.00 -0.03 0.48 -0.54 -3.33 0.00 0.00 175.10 171.68 1nfa s LYS 39 N 2.55 0.46 0.00 1.54 1.02 -1.26 -4.64 119.74 119.40 1nfa s LYS 39 Ca 0.26 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.79 1nfa s LYS 39 Cb -0.15 -0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 1nfa s LYS 39 CO 0.09 -0.82 0.00 0.00 -0.92 0.00 0.00 175.35 173.70 1nfa n ALA 40 N 5.39 1.17 -2.00 5.17 0.00 -1.26 -4.95 120.51 124.02 1nfa n ALA 40 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nfa n ALA 40 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1nfa n ALA 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nfa n SER 41 N -0.17 0.00 0.01 0.00 3.41 -1.26 -4.93 113.62 110.68 1nfa n SER 41 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1nfa n SER 41 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1nfa n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfa h ALA 42 N 0.25 -0.69 0.00 7.33 0.00 -1.99 -3.43 119.26 120.72 1nfa h ALA 42 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1nfa h ALA 42 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1nfa h ALA 42 CO 0.00 -0.69 -0.12 0.41 0.00 0.00 0.00 179.25 178.85 1nfa n GLY 43 N -1.03 0.30 0.00 0.00 0.00 -1.26 -5.02 105.19 98.19 1nfa n GLY 43 Ca -0.01 0.00 0.00 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 0.00 2.85 3.86 -0.02 0.00 -1.26 -4.77 105.19 105.85 1nfa n GLY 44 Ca -0.12 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 3.14 1.01 1.61 3.76 -1.26 -4.89 115.29 118.65 1nfa s HIS 45 Ca 0.00 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.61 1nfa s HIS 45 Cb 0.00 -1.52 0.24 0.00 1.11 0.00 0.00 32.58 32.41 1nfa s HIS 45 CO 0.00 0.43 1.26 -0.35 -0.85 0.00 0.00 174.74 175.23 1nfa n PRO 46 N -1.27 -1.63 -3.43 8.40 -0.04 -1.26 -4.78 135.00 130.98 1nfa n PRO 46 Ca -0.07 -1.95 -0.27 0.00 -0.04 0.00 0.00 63.50 61.17 1nfa n PRO 46 Cb 0.58 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 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 -3.67 5.10 0.01 0.52 -1.09 -1.23 -4.03 121.20 116.80 1nfa s ILE 47 Ca 0.73 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.96 1nfa s ILE 47 Cb -0.03 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1nfa s ILE 47 CO 0.52 -0.38 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.02 1nfa s VAL 48 N -2.12 1.12 -0.12 2.92 1.01 -1.06 -3.20 120.40 118.96 1nfa s VAL 48 Ca 0.41 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1nfa s VAL 48 Cb -0.10 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.39 1nfa s VAL 48 CO 0.32 0.22 0.71 -1.58 0.00 0.00 0.00 175.10 174.77 1nfa s GLN 49 N -0.58 0.98 0.41 2.72 0.74 -1.25 -2.23 119.66 120.44 1nfa s GLN 49 Ca 0.04 0.47 -0.22 0.00 0.05 0.00 0.00 55.36 55.70 1nfa s GLN 49 Cb -0.06 0.46 -0.10 0.00 1.10 0.00 0.00 33.01 34.41 1nfa s GLN 49 CO 0.00 -0.26 0.98 -1.17 -0.55 0.00 0.00 175.29 174.29 1nfa s LEU 50 N -0.73 4.05 -0.41 3.68 0.20 -1.26 -2.50 118.68 121.71 1nfa s LEU 50 Ca -0.07 1.81 0.05 0.00 0.69 0.00 0.00 54.13 56.61 1nfa s LEU 50 Cb -0.01 -4.37 0.19 0.00 -0.43 0.00 0.00 46.19 41.56 1nfa s LEU 50 CO 0.07 -0.38 0.38 1.57 -0.29 0.00 0.00 176.35 177.71 1nfa n HIS 51 N -0.33 -0.83 0.00 5.38 -0.00 0.24 -4.73 115.22 114.94 1nfa n HIS 51 Ca 0.06 -3.35 0.00 0.00 0.46 0.00 0.00 57.72 54.89 1nfa n HIS 51 Cb 0.52 0.13 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 1nfa n HIS 51 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1nfa n GLY 52 N 2.51 -0.86 3.24 1.57 0.00 -1.23 -3.07 105.19 107.35 1nfa n GLY 52 Ca 0.28 0.39 -0.45 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.75 -2.65 1.61 9.36 -1.26 -4.90 117.16 118.57 1nfa n TYR 53 Ca 0.00 0.87 -0.09 0.00 3.32 0.00 0.00 57.90 62.00 1nfa n TYR 53 Cb 0.00 -1.85 0.03 0.00 -0.63 0.00 0.00 39.34 36.89 1nfa n TYR 53 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1nfa n LEU 54 N 1.98 2.04 -4.83 2.98 -0.00 -1.26 -4.60 117.00 113.31 1nfa n LEU 54 Ca 0.16 -3.75 -0.35 0.00 -0.00 0.00 0.00 56.01 52.07 1nfa n LEU 54 Cb 0.27 0.30 -0.06 0.00 -0.00 0.00 0.00 43.42 43.93 1nfa n LEU 54 CO 0.53 1.52 0.36 -0.70 -0.00 0.00 0.00 177.39 179.10 1nfa s GLU 55 N -3.39 4.13 -0.24 1.47 2.12 -1.26 -4.73 118.70 116.80 1nfa s GLU 55 Ca 0.31 0.71 -0.05 0.00 0.36 0.00 0.00 54.97 56.30 1nfa s GLU 55 Cb 0.41 -2.84 -0.10 0.00 0.26 0.00 0.00 34.13 31.87 1nfa s GLU 55 CO -0.01 0.39 3.18 0.27 -0.54 0.00 0.00 175.26 178.55 1nfa n ASN 56 N 0.60 5.89 -4.37 -1.70 2.04 -1.26 -4.38 115.26 112.07 1nfa n ASN 56 Ca -0.02 -2.86 -0.25 0.00 -0.44 0.00 0.00 54.58 51.00 1nfa n ASN 56 Cb 0.52 -1.32 -0.12 0.00 -2.53 0.00 0.00 39.78 36.33 1nfa n ASN 56 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1nfa s GLU 57 N -0.43 1.37 0.04 -3.83 0.41 -1.26 -5.11 118.70 109.89 1nfa s GLU 57 Ca 0.63 -1.42 -0.30 0.00 -0.41 0.00 0.00 54.97 53.47 1nfa s GLU 57 Cb 0.35 -1.62 -0.04 0.00 -1.78 0.00 0.00 34.13 31.04 1nfa s GLU 57 CO -0.12 0.35 1.04 -1.25 -0.49 0.00 0.00 175.26 174.80 1nfa s PRO 58 N -2.54 4.55 0.23 0.39 0.04 -1.26 -4.62 135.00 131.77 1nfa s PRO 58 Ca 0.16 1.54 0.06 0.00 0.04 0.00 0.00 61.00 62.80 1nfa s PRO 58 Cb -0.08 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 1nfa s PRO 58 CO 0.08 -0.06 -0.07 -0.51 0.04 0.00 0.00 177.00 176.47 1nfa s LEU 59 N 0.79 2.44 -0.08 -3.56 1.43 -0.78 -4.94 118.68 113.97 1nfa s LEU 59 Ca 0.53 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1nfa s LEU 59 Cb -0.24 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 1nfa s LEU 59 CO 0.29 -0.34 -0.07 0.00 0.23 0.00 0.00 176.35 176.46 1nfa s MET 60 N -3.74 2.85 0.17 1.70 0.23 -1.26 -0.73 119.30 118.52 1nfa s MET 60 Ca 0.25 -0.55 -0.11 0.00 -1.03 0.00 0.00 55.69 54.26 1nfa s MET 60 Cb 0.03 -2.62 -0.07 0.00 -1.53 0.00 0.00 34.83 30.64 1nfa s MET 60 CO 0.08 0.61 0.51 -1.17 -2.03 0.00 0.00 175.02 173.02 1nfa s LEU 61 N -0.66 4.27 -0.63 0.18 0.20 -0.18 -3.50 118.68 118.35 1nfa s LEU 61 Ca 0.10 0.92 0.05 0.00 0.69 0.00 0.00 54.13 55.89 1nfa s LEU 61 Cb -0.11 -3.38 0.19 0.00 -0.43 0.00 0.00 46.19 42.45 1nfa s LEU 61 CO 0.02 0.04 0.52 0.00 -0.29 0.00 0.00 176.35 176.64 1nfa n GLN 62 N 0.38 1.63 -4.34 1.98 1.13 -0.52 -3.34 117.38 114.31 1nfa n GLN 62 Ca -0.03 -4.24 -0.20 0.00 -1.94 0.00 0.00 57.00 50.58 1nfa n GLN 62 Cb 0.52 -2.12 -0.11 0.00 0.11 0.00 0.00 30.24 28.64 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 -1.40 2.48 0.00 1.08 0.05 -1.25 -3.53 118.68 116.12 1nfa s LEU 63 Ca 0.30 -0.92 0.00 0.00 0.05 0.00 0.00 54.13 53.56 1nfa s LEU 63 Cb 0.02 -0.77 0.00 0.00 -2.05 0.00 0.00 46.19 43.39 1nfa s LEU 63 CO -0.14 -0.08 0.00 2.22 -0.55 0.00 0.00 176.35 177.79 1nfa n PHE 64 N 0.06 -0.34 -4.01 3.48 -1.74 -1.24 -2.84 117.46 110.82 1nfa n PHE 64 Ca -0.11 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.44 1nfa n PHE 64 Cb 0.58 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.44 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 -2.69 2.52 0.06 1.97 1.10 -1.26 -3.44 121.20 119.47 1nfa s ILE 65 Ca 0.00 -1.34 0.07 0.00 -0.51 0.00 0.00 60.65 58.87 1nfa s ILE 65 Cb 0.00 -2.38 -0.03 0.00 0.15 0.00 0.00 42.46 40.21 1nfa s ILE 65 CO 0.00 0.08 -0.18 -0.83 -2.11 0.00 0.00 174.94 171.89 1nfa s GLY 66 N 1.22 1.05 0.05 1.50 0.00 -0.78 -3.66 107.32 106.69 1nfa s GLY 66 Ca -0.04 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.36 1nfa s GLY 66 CO -0.05 -1.03 0.83 -0.51 0.00 0.00 0.00 173.10 172.34 1nfa s THR 67 N -0.98 4.70 -0.30 0.90 -4.23 -0.84 0.17 115.64 115.06 1nfa s THR 67 Ca 0.05 1.77 -0.11 0.00 -1.18 0.00 0.00 61.69 62.21 1nfa s THR 67 Cb -0.09 -4.18 0.12 0.00 1.34 0.00 0.00 72.50 69.69 1nfa s THR 67 CO 0.02 0.33 0.66 0.00 -0.54 0.00 0.00 174.62 175.10 1nfa s ALA 68 N 0.08 -2.04 -0.09 3.99 0.00 -1.26 -3.30 121.76 119.14 1nfa s ALA 68 Ca 0.42 2.36 0.14 0.00 0.00 0.00 0.00 51.96 54.87 1nfa s ALA 68 Cb -0.21 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.09 1nfa s ALA 68 CO 0.25 -0.86 1.11 0.38 0.00 0.00 0.00 175.76 176.64 1nfa h ASP 69 N 7.86 0.00 0.00 0.00 3.04 -1.91 -3.42 116.42 122.00 1nfa h ASP 69 Ca -0.19 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 1nfa h ASP 69 Cb 1.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.41 1nfa h ASP 69 CO 0.11 0.65 0.00 0.47 -2.04 0.00 0.00 179.24 178.43 1nfa n ASP 70 N -3.10 0.00 0.00 4.15 9.92 -1.26 -5.03 116.55 121.23 1nfa n ASP 70 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1nfa n ASP 70 Cb 0.84 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.32 1nfa n ASP 70 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1nfa n ARG 71 N -1.37 0.00 -1.51 -1.24 0.63 -1.26 -5.06 116.66 106.84 1nfa n ARG 71 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1nfa n ARG 71 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 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 -0.72 -0.09 -4.74 6.15 -0.00 -1.26 -4.84 117.00 111.50 1nfa n LEU 72 Ca 0.00 -0.37 -0.41 0.00 -0.00 0.00 0.00 56.01 55.23 1nfa n LEU 72 Cb 0.00 -0.90 -0.05 0.00 -0.00 0.00 0.00 43.42 42.47 1nfa n LEU 72 CO 0.00 -1.31 0.65 -1.48 -0.00 0.00 0.00 177.39 175.25 1nfa s LEU 73 N 6.17 4.55 0.23 1.47 2.34 -1.26 -4.19 118.68 127.99 1nfa s LEU 73 Ca 1.26 1.83 -0.19 0.00 0.06 0.00 0.00 54.13 57.09 1nfa s LEU 73 Cb -0.86 -3.58 0.03 0.00 -0.56 0.00 0.00 46.19 41.21 1nfa s LEU 73 CO 0.46 0.01 0.61 0.00 -1.06 0.00 0.00 176.35 176.37 1nfa s ARG 74 N -0.38 1.54 0.21 1.48 3.03 -1.21 -4.99 118.95 118.63 1nfa s ARG 74 Ca 0.45 -0.88 -0.30 0.00 2.03 0.00 0.00 55.73 57.03 1nfa s ARG 74 Cb -0.24 0.56 -0.08 0.00 -1.03 0.00 0.00 34.95 34.16 1nfa s ARG 74 CO 0.30 -0.68 1.09 -1.25 -1.13 0.00 0.00 175.30 173.63 1nfa s PRO 75 N -3.88 4.62 0.78 3.89 0.04 -1.26 -1.98 135.00 137.20 1nfa s PRO 75 Ca 0.10 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1nfa s PRO 75 Cb -0.03 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.32 1nfa s PRO 75 CO 0.00 0.14 1.14 -1.01 0.04 0.00 0.00 177.00 177.32 1nfa s HIS 76 N -0.56 2.18 -0.11 0.56 3.76 -1.24 -4.63 115.29 115.24 1nfa s HIS 76 Ca 0.47 1.63 -0.05 0.00 -0.15 0.00 0.00 55.06 56.97 1nfa s HIS 76 Cb -0.30 -3.26 -0.03 0.00 1.11 0.00 0.00 32.58 30.09 1nfa s HIS 76 CO 0.36 -2.27 0.04 0.00 -0.85 0.00 0.00 174.74 172.02 1nfa h ALA 77 N -0.90 0.01 0.00 -1.40 0.00 -1.95 -3.43 119.26 111.59 1nfa h ALA 77 Ca -0.45 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1nfa h ALA 77 Cb 1.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nfa h ALA 77 CO 0.49 0.12 0.00 1.19 0.00 0.00 0.00 179.25 181.05 1nfa n PHE 78 N -4.72 0.00 -3.23 0.00 3.01 -1.26 -4.89 117.46 106.37 1nfa n PHE 78 Ca -0.03 -0.08 -0.44 0.00 1.01 0.00 0.00 57.45 57.91 1nfa n PHE 78 Cb 0.11 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1nfa n PHE 78 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1nfa n TYR 79 N -0.08 4.09 -1.10 1.38 4.02 -1.26 -4.03 117.16 120.17 1nfa n TYR 79 Ca 0.00 -3.43 0.00 0.00 -0.01 0.00 0.00 57.90 54.46 1nfa n TYR 79 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 39.34 38.00 1nfa n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nfa n GLN 80 N 2.12 0.00 -2.15 -0.72 -0.00 -1.26 -4.71 117.38 110.66 1nfa n GLN 80 Ca 0.25 -0.39 -0.39 0.00 -0.00 0.00 0.00 57.00 56.47 1nfa n GLN 80 Cb 0.37 -0.45 -0.01 0.00 -0.00 0.00 0.00 30.24 30.15 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 2.84 -0.30 -0.39 -7.23 -1.26 -4.91 120.40 109.15 1nfa s VAL 81 Ca 0.00 0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 60.74 1nfa s VAL 81 Cb 0.00 -3.41 0.18 0.00 0.56 0.00 0.00 36.38 33.71 1nfa s VAL 81 CO 0.00 0.08 1.10 -2.28 -0.31 0.00 0.00 175.10 173.69 1nfa s HIS 82 N -1.34 -0.38 -0.05 2.82 5.04 -1.26 -3.82 115.29 116.30 1nfa s HIS 82 Ca 0.58 0.35 -0.06 0.00 -1.54 0.00 0.00 55.06 54.39 1nfa s HIS 82 Cb -0.35 0.11 0.01 0.00 0.04 0.00 0.00 32.58 32.40 1nfa s HIS 82 CO 0.44 -0.21 0.16 -0.98 -2.34 0.00 0.00 174.74 171.81 1nfa s ARG 83 N 2.97 0.28 0.22 2.88 3.03 -1.09 -4.97 118.95 122.27 1nfa s ARG 83 Ca 0.05 0.06 0.05 0.00 2.03 0.00 0.00 55.73 57.91 1nfa s ARG 83 Cb -0.07 0.13 -0.03 0.00 -1.03 0.00 0.00 34.95 33.94 1nfa s ARG 83 CO -0.13 -0.05 0.32 0.42 -1.13 0.00 0.00 175.30 174.73 1nfa s ILE 84 N -0.33 5.13 0.00 4.99 1.09 -1.24 -4.21 121.20 126.63 1nfa s ILE 84 Ca -0.04 -1.00 0.00 0.00 -1.10 0.00 0.00 60.65 58.51 1nfa s ILE 84 Cb -0.03 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 1nfa s ILE 84 CO 0.01 -0.29 0.00 0.35 -0.10 0.00 0.00 174.94 174.91 1nfa n THR 85 N -1.20 0.00 -1.34 2.92 -2.24 -1.26 -4.87 114.28 106.29 1nfa n THR 85 Ca -0.08 0.00 -0.55 0.00 -2.27 0.00 0.00 64.05 61.15 1nfa n THR 85 Cb 0.57 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 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 4.52 0.08 3.58 3.38 0.00 -1.26 -4.75 105.19 110.73 1nfa n GLY 86 Ca 0.00 1.04 -0.35 0.00 0.00 0.00 0.00 46.02 46.72 1nfa n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nfa s LYS 87 N 6.32 3.16 -0.35 1.61 2.47 -1.26 -4.47 119.74 127.22 1nfa s LYS 87 Ca 1.17 -1.36 0.13 0.00 -1.56 0.00 0.00 55.97 54.35 1nfa s LYS 87 Cb -1.22 -5.34 0.42 0.00 -1.46 0.00 0.00 37.83 30.23 1nfa s LYS 87 CO 0.58 -3.10 1.36 0.25 0.16 0.00 0.00 175.35 174.60 1nfa n THR 88 N 7.21 0.25 -2.29 3.43 -2.24 -1.26 -5.13 114.28 114.24 1nfa n THR 88 Ca 0.44 -1.63 -0.25 0.00 -2.27 0.00 0.00 64.05 60.34 1nfa n THR 88 Cb 0.47 1.00 0.08 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.65 2.28 0.01 2.28 0.11 -1.26 -5.00 120.40 118.17 1nfa s VAL 89 Ca 0.18 -0.35 0.10 0.00 -2.93 0.00 0.00 61.98 58.98 1nfa s VAL 89 Cb 0.42 -2.93 -0.22 0.00 -1.53 0.00 0.00 36.38 32.11 1nfa s VAL 89 CO -0.09 0.00 0.86 -1.28 -3.33 0.00 0.00 175.10 171.26 1nfa h SER 90 N -0.59 0.01 -3.50 3.54 0.87 -1.96 -3.42 113.55 108.48 1nfa h SER 90 Ca -0.43 -0.02 -0.71 0.00 -1.23 0.00 0.00 61.79 59.41 1nfa h SER 90 Cb 1.30 -0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.96 1nfa h SER 90 CO 0.54 1.01 -0.51 -0.89 -0.53 0.00 0.00 176.83 176.45 1nfa s THR 91 N -2.63 3.94 0.86 2.23 2.01 -1.26 -5.08 115.64 115.71 1nfa s THR 91 Ca -0.03 -1.47 -0.14 0.00 0.31 0.00 0.00 61.69 60.36 1nfa s THR 91 Cb 0.09 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.18 1nfa s THR 91 CO 0.82 -0.47 0.52 0.41 -0.69 0.00 0.00 174.62 175.21 1nfa n THR 92 N 4.83 0.80 -4.23 -0.82 -1.04 -1.26 -5.01 114.28 107.55 1nfa n THR 92 Ca -0.09 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 61.50 1nfa n THR 92 Cb 0.43 -0.71 -0.09 0.00 -1.82 0.00 0.00 70.33 68.14 1nfa n THR 92 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nfa s SER 93 N -1.83 0.94 0.13 8.00 1.04 -1.26 -4.30 113.70 116.41 1nfa s SER 93 Ca 0.61 -1.57 -0.15 0.00 0.48 0.00 0.00 55.95 55.33 1nfa s SER 93 Cb -0.27 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.37 1nfa s SER 93 CO 0.63 -0.98 0.37 -1.00 0.98 0.00 0.00 173.24 173.24 1nfa s HIS 94 N -3.75 -0.10 0.06 5.02 3.76 0.24 -4.93 115.29 115.59 1nfa s HIS 94 Ca 0.39 -0.24 0.05 0.00 -0.15 0.00 0.00 55.06 55.11 1nfa s HIS 94 Cb 0.04 0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.91 1nfa s HIS 94 CO 0.20 -0.70 -0.13 -1.21 -0.85 0.00 0.00 174.74 172.05 1nfa s GLU 95 N -3.83 0.81 -0.28 1.40 2.02 -1.26 -1.25 118.70 116.31 1nfa s GLU 95 Ca 0.05 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 1nfa s GLU 95 Cb 0.02 -0.79 0.12 0.00 0.10 0.00 0.00 34.13 33.58 1nfa s GLU 95 CO -0.10 0.18 0.61 0.00 0.02 0.00 0.00 175.26 175.97 1nfa s ALA 96 N -1.15 -1.88 -0.06 5.21 0.00 -0.64 -4.91 121.76 118.33 1nfa s ALA 96 Ca -0.02 2.21 -0.01 0.00 0.00 0.00 0.00 51.96 54.15 1nfa s ALA 96 Cb -0.09 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1nfa s ALA 96 CO 0.02 -0.84 -0.00 -1.50 0.00 0.00 0.00 175.76 173.43 1nfa s ILE 97 N 2.71 4.22 -0.37 0.00 1.10 -1.26 -1.71 121.20 125.89 1nfa s ILE 97 Ca -0.06 -0.35 0.13 0.00 -0.51 0.00 0.00 60.65 59.87 1nfa s ILE 97 Cb -0.11 -2.79 0.44 0.00 0.15 0.00 0.00 42.46 40.15 1nfa s ILE 97 CO -0.18 0.55 1.00 0.00 -2.11 0.00 0.00 174.94 174.20 1nfa n LEU 98 N 1.98 2.59 -1.25 8.50 -0.00 -1.09 -5.00 117.00 122.73 1nfa n LEU 98 Ca -0.18 -4.28 -0.00 0.00 -0.00 0.00 0.00 56.01 51.55 1nfa n LEU 98 Cb 0.53 0.12 -0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1nfa n LEU 98 CO 0.29 1.82 -0.06 -1.20 -0.00 0.00 0.00 177.39 178.24 1nfa n SER 99 N -0.20 -2.66 -4.32 1.45 7.64 -1.26 -4.52 113.62 109.75 1nfa n SER 99 Ca 0.20 0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.91 1nfa n SER 99 Cb 0.76 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.43 1nfa n SER 99 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1nfa n ASN 100 N 0.21 -2.41 -2.79 6.43 0.23 -1.26 -4.86 115.26 110.81 1nfa n ASN 100 Ca -0.01 -1.10 -0.06 0.00 -0.53 0.00 0.00 54.58 52.88 1nfa n ASN 100 Cb 0.02 -2.33 0.01 0.00 -2.08 0.00 0.00 39.78 35.39 1nfa n ASN 100 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1nfa n THR 101 N -4.29 -0.07 -2.75 5.53 -1.04 -1.26 -4.64 114.28 105.75 1nfa n THR 101 Ca 0.04 -1.17 -0.43 0.00 -2.04 0.00 0.00 64.05 60.46 1nfa n THR 101 Cb 0.50 0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 69.87 1nfa n THR 101 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1nfa s LYS 102 N 0.81 4.18 0.27 -2.82 2.36 -1.26 -2.68 119.74 120.59 1nfa s LYS 102 Ca 0.30 1.12 0.10 0.00 -2.55 0.00 0.00 55.97 54.94 1nfa s LYS 102 Cb 0.02 -3.67 -0.05 0.00 -1.05 0.00 0.00 37.83 33.08 1nfa s LYS 102 CO -0.07 -0.65 -0.16 0.14 1.55 0.00 0.00 175.35 176.17 1nfa s VAL 103 N 3.15 2.15 -0.10 4.02 -7.23 -0.70 -4.40 120.40 117.29 1nfa s VAL 103 Ca 0.40 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1nfa s VAL 103 Cb -0.15 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.53 1nfa s VAL 103 CO 0.09 -0.42 -0.08 -1.48 -0.31 0.00 0.00 175.10 172.90 1nfa s LEU 104 N -3.46 1.25 -0.12 1.32 2.34 -1.13 -1.62 118.68 117.26 1nfa s LEU 104 Ca 0.28 -0.29 -0.08 0.00 0.06 0.00 0.00 54.13 54.10 1nfa s LEU 104 Cb -0.02 -0.82 -0.04 0.00 -0.56 0.00 0.00 46.19 44.75 1nfa s LEU 104 CO 0.13 -0.09 0.16 -0.70 -1.06 0.00 0.00 176.35 174.78 1nfa s GLU 105 N 1.52 3.51 -0.34 1.48 2.56 -0.38 -3.76 118.70 123.30 1nfa s GLU 105 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.97 54.88 1nfa s GLU 105 Cb -0.13 -3.20 0.11 0.00 2.00 0.00 0.00 34.13 32.91 1nfa s GLU 105 CO -0.06 0.75 0.14 0.42 -0.56 0.00 0.00 175.26 175.95 1nfa s ILE 106 N -0.96 0.82 -0.48 -3.70 -1.09 -1.21 0.82 121.20 115.39 1nfa s ILE 106 Ca 0.15 -1.62 -0.28 0.00 -2.23 0.00 0.00 60.65 56.67 1nfa s ILE 106 Cb -0.12 -1.61 0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1nfa s ILE 106 CO 0.04 -0.76 1.37 -2.16 -1.23 0.00 0.00 174.94 172.20 1nfa s PRO 107 N 1.33 3.49 0.15 2.79 0.04 -1.26 -1.01 135.00 140.54 1nfa s PRO 107 Ca 0.12 0.70 -0.06 0.00 0.04 0.00 0.00 61.00 61.80 1nfa s PRO 107 Cb -0.19 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.28 1nfa s PRO 107 CO -0.18 -1.68 0.20 -0.51 0.04 0.00 0.00 177.00 174.87 1nfa s LEU 108 N 5.52 1.26 -0.48 -3.56 2.01 0.10 -4.64 118.68 118.90 1nfa s LEU 108 Ca 0.56 -1.01 0.08 0.00 0.01 0.00 0.00 54.13 53.76 1nfa s LEU 108 Cb -0.11 0.84 0.28 0.00 0.01 0.00 0.00 46.19 47.21 1nfa s LEU 108 CO 0.30 -0.83 0.68 0.00 1.01 0.00 0.00 176.35 177.51 1nfa n LEU 109 N -0.17 1.91 -1.66 1.79 -0.00 -1.26 -1.87 117.00 115.73 1nfa n LEU 109 Ca -0.06 -5.10 -0.05 0.00 -0.00 0.00 0.00 56.01 50.80 1nfa n LEU 109 Cb 0.63 0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 44.14 1nfa n LEU 109 CO 0.27 2.15 1.16 -0.81 -0.00 0.00 0.00 177.39 180.16 1nfa n PRO 110 N 0.80 1.31 0.00 1.47 -0.04 -1.26 -4.19 135.00 133.09 1nfa n PRO 110 Ca 0.26 -0.40 0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1nfa n PRO 110 Cb 0.50 -1.29 0.35 0.00 -0.04 0.00 0.00 33.50 33.03 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 1.60 1.85 -0.07 0.54 4.71 -1.26 -4.36 120.64 123.64 1nfa n GLU 111 Ca 0.13 -1.29 -0.15 0.00 -0.01 0.00 0.00 57.16 55.84 1nfa n GLU 111 Cb 0.60 -1.47 -0.05 0.00 -1.01 0.00 0.00 31.44 29.50 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 0.55 1.23 0.00 1.62 0.23 -1.26 -4.08 115.26 113.56 1nfa n ASN 112 Ca 0.17 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 1nfa n ASN 112 Cb 0.44 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 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 -3.64 0.53 3.41 -1.26 -5.12 113.62 103.75 1nfa n SER 113 Ca -0.28 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.25 1nfa n SER 113 Cb 0.65 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.66 -0.12 4.33 0.23 -1.26 -5.08 119.30 118.06 1nfa s MET 114 Ca 0.00 1.01 -0.01 0.00 -1.03 0.00 0.00 55.69 55.67 1nfa s MET 114 Cb 0.00 0.21 -0.02 0.00 -1.53 0.00 0.00 34.83 33.48 1nfa s MET 114 CO 0.00 -0.12 -0.10 0.50 -2.03 0.00 0.00 175.02 173.27 1nfa s ARG 115 N 1.14 3.33 -0.20 3.16 3.52 -1.26 -4.54 118.95 124.10 1nfa s ARG 115 Ca -0.06 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1nfa s ARG 115 Cb -0.05 -2.69 0.03 0.00 -1.56 0.00 0.00 34.95 30.69 1nfa s ARG 115 CO -0.13 0.30 -0.17 0.00 -0.81 0.00 0.00 175.30 174.50 1nfa s ALA 116 N 0.14 2.34 -0.05 6.12 0.00 -0.95 -4.96 121.76 124.41 1nfa s ALA 116 Ca -0.05 -1.33 -0.16 0.00 0.00 0.00 0.00 51.96 50.42 1nfa s ALA 116 Cb -0.14 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1nfa s ALA 116 CO 0.04 -0.58 0.43 0.14 0.00 0.00 0.00 175.76 175.79 1nfa s VAL 117 N 1.26 5.09 -0.25 0.00 -7.23 -1.26 -2.55 120.40 115.46 1nfa s VAL 117 Ca 0.01 0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 61.02 1nfa s VAL 117 Cb -0.15 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.05 1nfa s VAL 117 CO -0.11 0.48 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.51 1nfa s ILE 118 N -0.38 3.26 -0.40 -0.62 1.01 -1.26 -4.95 121.20 117.85 1nfa s ILE 118 Ca 0.24 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 60.19 1nfa s ILE 118 Cb -0.16 -2.61 0.38 0.00 0.01 0.00 0.00 42.46 40.08 1nfa s ILE 118 CO 0.12 0.24 1.24 -0.90 0.00 0.00 0.00 174.94 175.64 1nfa n ASP 119 N 4.75 -1.50 -2.80 3.58 5.68 -1.26 -4.19 116.55 120.81 1nfa n ASP 119 Ca -0.17 -2.76 -0.15 0.00 -0.50 0.00 0.00 54.79 51.21 1nfa n ASP 119 Cb 0.48 0.96 0.00 0.00 -1.14 0.00 0.00 41.12 41.42 1nfa n ASP 119 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nfa s ALA 121 N -3.02 1.63 0.28 0.00 0.00 -1.26 -2.68 121.76 116.72 1nfa s ALA 121 Ca 0.35 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.41 1nfa s ALA 121 Cb 0.41 1.44 -0.01 0.00 0.00 0.00 0.00 23.12 24.95 1nfa s ALA 121 CO -0.04 -0.63 0.31 0.41 0.00 0.00 0.00 175.76 175.81 1nfa n GLY 122 N -0.50 2.75 3.52 0.00 0.00 -1.25 -4.79 105.19 104.91 1nfa n GLY 122 Ca 0.05 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.96 2.77 0.08 -0.61 -4.36 -1.26 -4.34 121.20 110.52 1nfa s ILE 123 Ca 0.29 -2.17 0.08 0.00 -0.26 0.00 0.00 60.65 58.60 1nfa s ILE 123 Cb 0.01 -2.44 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 1nfa s ILE 123 CO 0.21 -0.33 -0.22 -0.22 0.24 0.00 0.00 174.94 174.61 1nfa s LEU 124 N -3.38 2.24 0.19 0.37 1.98 -1.26 -4.98 118.68 113.85 1nfa s LEU 124 Ca 0.29 -0.63 0.10 0.00 -2.89 0.00 0.00 54.13 51.00 1nfa s LEU 124 Cb -0.06 -1.01 -0.04 0.00 0.66 0.00 0.00 46.19 45.73 1nfa s LEU 124 CO 0.16 0.13 -0.15 -0.75 -1.89 0.00 0.00 176.35 173.85 1nfa s LYS 125 N -1.62 1.84 -0.10 1.98 2.20 -1.26 -4.55 119.74 118.23 1nfa s LYS 125 Ca 0.09 -1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.00 1nfa s LYS 125 Cb -0.10 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.20 1nfa s LYS 125 CO 0.03 0.41 1.01 -0.51 -0.36 0.00 0.00 175.35 175.94 1nfa s LEU 126 N -2.84 4.25 0.14 5.43 1.43 -1.26 -4.93 118.68 120.90 1nfa s LEU 126 Ca 0.24 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 1nfa s LEU 126 Cb -0.08 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1nfa s LEU 126 CO 0.13 -0.45 1.50 -0.09 0.23 0.00 0.00 176.35 177.68 1nfa h ARG 127 N 7.10 0.88 0.00 1.70 9.65 -2.00 -3.49 114.38 128.22 1nfa h ARG 127 Ca -0.31 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.16 1nfa h ARG 127 Cb 1.15 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1nfa h ARG 127 CO 0.85 1.05 0.00 0.27 2.80 0.00 0.00 179.97 184.95 1nfa n ASN 128 N -4.18 0.00 0.00 -3.80 0.23 -1.26 -5.12 115.26 101.13 1nfa n ASN 128 Ca -0.01 -0.59 0.00 0.00 -0.53 0.00 0.00 54.58 53.44 1nfa n ASN 128 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1nfa n ASN 128 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1nfa n SER 129 N -0.00 -0.23 -2.65 0.53 3.41 -1.26 -4.83 113.62 108.59 1nfa n SER 129 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1nfa n SER 129 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.30 -1.03 -4.76 4.04 2.03 -1.26 -5.15 116.55 110.13 1nfa n ASP 130 Ca 0.00 -1.53 -0.35 0.00 0.52 0.00 0.00 54.79 53.43 1nfa n ASP 130 Cb 0.00 0.71 0.03 0.00 -0.72 0.00 0.00 41.12 41.14 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 0.01 2.86 -0.46 5.18 2.07 -1.26 -5.00 121.20 124.60 1nfa s ILE 131 Ca 0.23 0.50 0.03 0.00 -1.41 0.00 0.00 60.65 60.00 1nfa s ILE 131 Cb 0.24 -3.14 0.12 0.00 0.13 0.00 0.00 42.46 39.81 1nfa s ILE 131 CO -0.12 -0.15 0.21 -1.61 -1.91 0.00 0.00 174.94 171.36 1nfa s GLU 132 N -3.51 1.66 -0.07 3.50 0.41 -1.26 -4.92 118.70 114.51 1nfa s GLU 132 Ca 0.74 -2.26 0.07 0.00 -0.41 0.00 0.00 54.97 53.11 1nfa s GLU 132 Cb -0.27 -3.00 0.31 0.00 -1.78 0.00 0.00 34.13 29.39 1nfa s GLU 132 CO 0.34 -1.08 1.06 1.28 -0.49 0.00 0.00 175.26 176.37 1nfa n LEU 133 N 3.52 2.49 0.00 1.80 7.99 -1.26 -4.58 117.00 126.95 1nfa n LEU 133 Ca 0.05 -1.26 0.00 0.00 -0.01 0.00 0.00 56.01 54.80 1nfa n LEU 133 Cb 0.35 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1nfa n LEU 133 CO 0.28 0.40 0.00 -2.11 -1.51 0.00 0.00 177.39 174.45 1nfa n ARG 134 N 0.28 0.00 -3.15 3.23 1.85 -1.26 -5.13 116.66 112.48 1nfa n ARG 134 Ca 0.11 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 1nfa n ARG 134 Cb 0.51 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.92 1nfa n ARG 134 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1nfa s LYS 135 N 0.00 0.26 -0.02 2.89 2.47 -1.26 -5.07 119.74 119.00 1nfa s LYS 135 Ca 0.00 0.35 -0.06 0.00 -1.56 0.00 0.00 55.97 54.70 1nfa s LYS 135 Cb 0.00 0.18 -0.03 0.00 -1.46 0.00 0.00 37.83 36.52 1nfa s LYS 135 CO 0.00 -0.40 0.44 0.78 0.16 0.00 0.00 175.35 176.34 1nfa h GLY 136 N 7.70 -0.22 -6.90 5.54 0.00 -2.01 -3.43 103.07 103.75 1nfa h GLY 136 Ca -0.11 0.08 -0.66 0.00 0.00 0.00 0.00 47.33 46.65 1nfa h GLY 136 CO -0.03 -0.08 -0.70 -1.83 0.00 0.00 0.00 176.54 173.90 1nfa s GLU 137 N -2.33 3.43 -0.10 4.80 -1.05 -1.26 -5.08 118.70 117.11 1nfa s GLU 137 Ca -0.03 -0.60 -0.25 0.00 -0.15 0.00 0.00 54.97 53.95 1nfa s GLU 137 Cb 0.00 -3.07 -0.03 0.00 -0.44 0.00 0.00 34.13 30.60 1nfa s GLU 137 CO 0.09 -0.20 0.77 -0.08 0.95 0.00 0.00 175.26 176.80 1nfa s THR 138 N 1.50 4.97 0.00 1.83 -1.32 -1.26 -5.00 115.64 116.36 1nfa s THR 138 Ca 0.06 1.56 0.00 0.00 -1.21 0.00 0.00 61.69 62.10 1nfa s THR 138 Cb -0.14 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.75 1nfa s THR 138 CO -0.02 0.16 0.28 0.47 -2.21 0.00 0.00 174.62 173.30 1nfa n ASP 139 N 4.37 0.00 -0.54 8.08 9.92 -1.26 -4.84 116.55 132.27 1nfa n ASP 139 Ca 0.01 0.37 -0.00 0.00 -0.53 0.00 0.00 54.79 54.65 1nfa n ASP 139 Cb 0.50 -0.16 -0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1nfa n ASP 139 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1nfa n ILE 140 N -0.97 0.00 -3.69 0.53 -5.35 -1.26 -5.14 119.36 103.48 1nfa n ILE 140 Ca 0.00 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1nfa n ILE 140 Cb 0.00 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1nfa n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nfa n GLY 141 N 0.01 -0.99 3.38 3.28 0.00 -1.26 -5.16 105.19 104.44 1nfa n GLY 141 Ca -0.01 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 0.91 -0.11 1.61 3.00 -1.26 -5.03 118.95 116.07 1nfa s ARG 142 Ca 0.00 -0.08 -0.10 0.00 -1.00 0.00 0.00 55.73 54.55 1nfa s ARG 142 Cb 0.00 0.42 0.03 0.00 0.00 0.00 0.00 34.95 35.40 1nfa s ARG 142 CO 0.00 -0.29 0.30 0.15 0.00 0.00 0.00 175.30 175.46 1nfa s LYS 143 N -1.68 0.35 -0.36 5.12 1.02 -1.26 -5.12 119.74 117.80 1nfa s LYS 143 Ca -0.10 0.41 -0.06 0.00 0.02 0.00 0.00 55.97 56.24 1nfa s LYS 143 Cb -0.02 0.17 0.06 0.00 -0.52 0.00 0.00 37.83 37.52 1nfa s LYS 143 CO 0.04 -0.04 0.15 -0.80 -0.92 0.00 0.00 175.35 173.77 1nfa s ASN 144 N 0.17 5.35 -0.32 2.83 0.01 -1.26 -4.91 114.94 116.81 1nfa s ASN 144 Ca -0.00 -1.35 0.17 0.00 -0.71 0.00 0.00 52.86 50.97 1nfa s ASN 144 Cb -0.02 -1.88 0.45 0.00 0.41 0.00 0.00 41.25 40.21 1nfa s ASN 144 CO 0.00 -0.40 1.22 0.35 -1.51 0.00 0.00 177.10 176.77 1nfa n THR 145 N 4.79 0.69 -3.66 1.60 -2.24 -1.26 -3.76 114.28 110.44 1nfa n THR 145 Ca -0.11 -2.24 -0.06 0.00 -2.27 0.00 0.00 64.05 59.37 1nfa n THR 145 Cb 0.44 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.03 0.54 0.16 -0.78 1.04 -1.24 -2.73 118.95 113.91 1nfa s ARG 146 Ca 0.22 1.21 0.00 0.00 -1.04 0.00 0.00 55.73 56.12 1nfa s ARG 146 Cb 0.40 0.42 -0.04 0.00 -2.04 0.00 0.00 34.95 33.68 1nfa s ARG 146 CO -0.05 -0.19 0.04 0.14 -0.04 0.00 0.00 175.30 175.20 1nfa s VAL 147 N 2.25 0.36 -0.21 4.99 -7.23 -0.74 -4.00 120.40 115.83 1nfa s VAL 147 Ca -0.07 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1nfa s VAL 147 Cb -0.09 -2.14 0.06 0.00 0.56 0.00 0.00 36.38 34.76 1nfa s VAL 147 CO -0.17 -0.41 0.56 -0.13 -0.31 0.00 0.00 175.10 174.63 1nfa s ARG 148 N -4.00 0.64 -0.53 4.82 1.81 0.13 -2.37 118.95 119.45 1nfa s ARG 148 Ca 0.26 0.79 -0.16 0.00 -1.72 0.00 0.00 55.73 54.90 1nfa s ARG 148 Cb 0.07 0.29 0.12 0.00 -0.45 0.00 0.00 34.95 34.98 1nfa s ARG 148 CO 0.04 -0.08 0.49 -1.17 -0.68 0.00 0.00 175.30 173.90 1nfa s LEU 149 N 0.40 6.05 0.28 2.53 1.98 -1.24 -1.87 118.68 126.80 1nfa s LEU 149 Ca -0.01 -1.68 -0.29 0.00 -2.89 0.00 0.00 54.13 49.26 1nfa s LEU 149 Cb -0.04 -2.21 -0.09 0.00 0.66 0.00 0.00 46.19 44.51 1nfa s LEU 149 CO -0.01 -0.83 1.02 -0.69 -1.89 0.00 0.00 176.35 173.95 1nfa s VAL 150 N 1.66 3.80 -0.17 1.68 1.01 -1.22 -3.09 120.40 124.06 1nfa s VAL 150 Ca 0.04 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 1nfa s VAL 150 Cb -0.29 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1nfa s VAL 150 CO 0.04 0.37 0.05 -0.36 0.00 0.00 0.00 175.10 175.20 1nfa s PHE 151 N -1.25 0.68 -0.07 5.22 0.08 -0.55 -3.65 117.98 118.44 1nfa s PHE 151 Ca 0.45 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.88 1nfa s PHE 151 Cb -0.28 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 1nfa s PHE 151 CO 0.35 -0.54 0.16 -0.98 -0.10 0.00 0.00 175.22 174.11 1nfa s ARG 152 N 1.97 0.14 -0.17 0.44 1.70 -1.23 0.22 118.95 122.02 1nfa s ARG 152 Ca 0.01 0.35 -0.04 0.00 -0.47 0.00 0.00 55.73 55.58 1nfa s ARG 152 Cb -0.16 -0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.11 1nfa s ARG 152 CO -0.08 -0.12 -0.04 0.54 -1.08 0.00 0.00 175.30 174.53 1nfa s VAL 153 N 0.84 3.80 -0.21 4.99 0.11 -1.20 -1.44 120.40 127.30 1nfa s VAL 153 Ca -0.06 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1nfa s VAL 153 Cb -0.08 -2.68 0.04 0.00 -1.53 0.00 0.00 36.38 32.13 1nfa s VAL 153 CO -0.04 0.47 -0.11 -1.00 -3.33 0.00 0.00 175.10 171.09 1nfa s HIS 154 N 0.60 2.60 -0.09 1.54 3.76 -1.23 -3.39 115.29 119.08 1nfa s HIS 154 Ca -0.03 -1.74 -0.07 0.00 -0.15 0.00 0.00 55.06 53.08 1nfa s HIS 154 Cb -0.14 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 1nfa s HIS 154 CO 0.02 -0.78 0.17 0.54 -0.85 0.00 0.00 174.74 173.85 1nfa s VAL 155 N 1.33 5.46 -0.25 -0.90 0.11 -0.78 -4.25 120.40 121.12 1nfa s VAL 155 Ca -0.02 0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.94 1nfa s VAL 155 Cb -0.17 -3.45 -0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1nfa s VAL 155 CO -0.08 0.56 1.27 -2.16 -3.33 0.00 0.00 175.10 171.36 1nfa s PRO 156 N -1.20 4.04 0.25 1.54 0.04 -1.26 -4.75 135.00 133.65 1nfa s PRO 156 Ca 0.18 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 1nfa s PRO 156 Cb -0.12 -3.83 0.01 0.00 0.04 0.00 0.00 34.50 30.60 1nfa s PRO 156 CO 0.07 -0.95 0.55 -0.65 0.04 0.00 0.00 177.00 176.07 1nfa s GLN 157 N 3.88 1.58 -0.04 4.56 -1.52 -1.26 -5.09 119.66 121.77 1nfa s GLN 157 Ca 0.55 -1.10 -0.03 0.00 -1.95 0.00 0.00 55.36 52.83 1nfa s GLN 157 Cb -0.18 0.52 -0.01 0.00 -0.22 0.00 0.00 33.01 33.11 1nfa s GLN 157 CO 0.19 -0.68 0.18 -1.00 -0.25 0.00 0.00 175.29 173.73 1nfa h PRO 158 N 2.18 -0.09 -5.94 2.91 0.13 -2.00 -3.42 132.00 125.77 1nfa h PRO 158 Ca -0.25 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.36 1nfa h PRO 158 Cb 1.25 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1nfa h PRO 158 CO 0.32 -0.06 1.45 -1.12 -0.23 0.00 0.00 178.00 178.36 1nfa s SER 159 N -4.03 5.20 0.57 1.44 0.01 -1.26 -4.78 113.70 110.86 1nfa s SER 159 Ca -0.01 1.12 0.35 0.00 1.31 0.00 0.00 55.95 58.72 1nfa s SER 159 Cb 0.00 -2.52 1.44 0.00 0.21 0.00 0.00 66.02 65.16 1nfa s SER 159 CO 0.04 -2.28 1.70 1.23 0.41 0.00 0.00 173.24 174.33 1nfa h GLY 160 N 16.46 0.00 -7.76 3.44 0.00 -2.00 -3.10 103.07 110.10 1nfa h GLY 160 Ca -0.30 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.37 1nfa h GLY 160 CO 1.10 0.00 2.16 0.54 0.00 0.00 0.00 176.54 180.34 1nfa n ARG 161 N -3.85 3.07 0.00 4.80 1.74 -1.26 -4.51 116.66 116.65 1nfa n ARG 161 Ca 0.24 -3.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1nfa n ARG 161 Cb 1.28 -3.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 1nfa n ARG 161 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1nfa n THR 162 N 6.46 0.00 -3.52 0.55 -1.04 -1.17 -5.09 114.28 110.47 1nfa n THR 162 Ca 0.49 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 62.21 1nfa n THR 162 Cb 0.46 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.83 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 0.00 0.59 -0.34 -4.42 2.96 -1.26 -4.83 118.68 111.37 1nfa s LEU 163 Ca 0.00 -1.45 0.03 0.00 -0.22 0.00 0.00 54.13 52.49 1nfa s LEU 163 Cb 0.00 -0.32 0.19 0.00 0.50 0.00 0.00 46.19 46.56 1nfa s LEU 163 CO 0.00 -0.41 0.70 -0.55 -1.32 0.00 0.00 176.35 174.77 1nfa s SER 164 N 1.90 -1.33 0.29 3.68 0.15 -1.24 -1.87 113.70 115.28 1nfa s SER 164 Ca 0.11 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1nfa s SER 164 Cb -0.17 1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 65.85 1nfa s SER 164 CO -0.29 -0.19 0.20 -1.48 1.20 0.00 0.00 173.24 172.67 1nfa s LEU 165 N 2.35 1.58 0.30 3.45 2.34 -1.22 -5.01 118.68 122.47 1nfa s LEU 165 Ca 0.15 -1.60 0.11 0.00 0.06 0.00 0.00 54.13 52.85 1nfa s LEU 165 Cb -0.05 0.38 -0.05 0.00 -0.56 0.00 0.00 46.19 45.90 1nfa s LEU 165 CO -0.17 -0.95 -0.14 -1.58 -1.06 0.00 0.00 176.35 172.46 1nfa s GLN 166 N -3.76 1.79 -0.46 1.48 0.74 -1.26 -3.21 119.66 114.99 1nfa s GLN 166 Ca 0.38 -1.79 0.06 0.00 0.05 0.00 0.00 55.36 54.06 1nfa s GLN 166 Cb 0.04 -1.79 0.22 0.00 1.10 0.00 0.00 33.01 32.58 1nfa s GLN 166 CO 0.20 0.26 0.66 0.28 -0.55 0.00 0.00 175.29 176.14 1nfa n VAL 167 N -0.72 -0.39 -2.94 1.34 0.31 0.60 -4.88 118.33 111.66 1nfa n VAL 167 Ca -0.05 -2.30 -0.43 0.00 -0.01 0.00 0.00 64.34 61.55 1nfa n VAL 167 Cb 0.61 -0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.49 1nfa n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nfa s ALA 168 N 0.20 3.21 -0.37 3.52 0.00 -1.26 -1.49 121.76 125.57 1nfa s ALA 168 Ca 0.32 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.62 1nfa s ALA 168 Cb 0.12 -3.69 0.15 0.00 0.00 0.00 0.00 23.12 19.71 1nfa s ALA 168 CO -0.16 -2.46 0.30 0.45 0.00 0.00 0.00 175.76 173.89 1nfa s SER 169 N 3.22 2.02 -0.30 0.00 0.15 -1.18 -4.96 113.70 112.65 1nfa s SER 169 Ca 0.22 -2.06 0.04 0.00 0.70 0.00 0.00 55.95 54.85 1nfa s SER 169 Cb -0.17 0.01 0.33 0.00 -1.71 0.00 0.00 66.02 64.47 1nfa s SER 169 CO 0.13 -0.27 1.45 0.59 1.20 0.00 0.00 173.24 176.34 1nfa n ASN 170 N 3.95 -1.02 -4.55 5.45 3.02 -1.26 -4.67 115.26 116.17 1nfa n ASN 170 Ca 0.14 -1.53 -0.40 0.00 -0.03 0.00 0.00 54.58 52.75 1nfa n ASN 170 Cb 0.42 0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 40.54 1nfa n ASN 170 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nfa s PRO 171 N 0.00 3.22 0.01 3.52 0.04 -1.25 -3.43 135.00 137.12 1nfa s PRO 171 Ca 0.20 -0.40 -0.01 0.00 0.04 0.00 0.00 61.00 60.83 1nfa s PRO 171 Cb 0.29 -4.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1nfa s PRO 171 CO -0.22 -2.27 0.15 0.42 0.04 0.00 0.00 177.00 175.13 1nfa s ILE 172 N 6.01 5.18 -0.21 0.56 1.01 -1.00 -4.80 121.20 127.96 1nfa s ILE 172 Ca 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1nfa s ILE 172 Cb -0.06 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1nfa s ILE 172 CO 0.08 0.28 -0.09 -1.61 0.00 0.00 0.00 174.94 173.60 1nfa s GLU 173 N -2.04 3.22 0.00 2.79 2.02 -1.26 -1.79 118.70 121.64 1nfa s GLU 173 Ca 0.28 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1nfa s GLU 173 Cb -0.12 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1nfa s GLU 173 CO 0.20 -0.22 0.00 0.00 0.02 0.00 0.00 175.26 175.26 1nfa n SER 175 N -2.31 0.00 0.00 0.00 3.41 -1.25 -4.50 113.62 108.97 1nfa n SER 175 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nfa n SER 175 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 -2.69 4.33 6.02 -1.26 -4.93 117.38 118.86 1nfa n GLN 176 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1nfa n GLN 176 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 1nfa n GLN 176 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1nfa s ARG 177 N 1.94 0.13 0.00 -1.09 0.52 -1.26 -4.51 118.95 114.68 1nfa s ARG 177 Ca 0.00 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1nfa s ARG 177 Cb 0.00 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1nfa s ARG 177 CO 0.00 -0.17 0.17 0.45 0.02 0.00 0.00 175.30 175.77