#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfa h LYS 2 N 0.00 0.24 -3.11 2.12 3.64 -2.08 -3.49 116.57 113.89 1nfa h LYS 2 Ca 0.00 -0.13 0.34 0.00 -1.27 0.00 0.00 60.65 59.59 1nfa h LYS 2 Cb 0.00 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 31.69 1nfa h LYS 2 CO 0.00 0.67 -0.86 -0.25 -2.27 0.00 0.00 179.45 176.74 1nfa n ASP 3 N -3.98 -7.96 -0.01 4.20 8.00 -1.26 -4.60 116.55 110.95 1nfa n ASP 3 Ca -0.02 0.98 -0.16 0.00 0.71 0.00 0.00 54.79 56.29 1nfa n ASP 3 Cb 0.52 -4.32 -0.12 0.00 -0.02 0.00 0.00 41.12 37.17 1nfa n ASP 3 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1nfa h TRP 4 N -1.28 0.34 0.00 1.24 5.08 -2.07 -3.46 115.95 115.80 1nfa h TRP 4 Ca -0.09 -0.21 0.00 0.00 1.08 0.00 0.00 58.89 59.68 1nfa h TRP 4 Cb 1.25 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1nfa h TRP 4 CO 0.01 1.07 0.00 0.94 -1.28 0.00 0.00 178.44 179.18 1nfa n GLN 5 N -4.39 0.00 -3.50 0.12 7.27 -1.26 -5.17 117.38 110.45 1nfa n GLN 5 Ca -0.11 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.74 1nfa n GLN 5 Cb 0.60 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.24 1nfa n GLN 5 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1nfa s LEU 6 N 0.00 4.04 0.68 1.69 2.34 -1.26 -5.09 118.68 121.09 1nfa s LEU 6 Ca 0.00 0.25 -0.11 0.00 0.06 0.00 0.00 54.13 54.33 1nfa s LEU 6 Cb 0.00 -3.11 0.00 0.00 -0.56 0.00 0.00 46.19 42.52 1nfa s LEU 6 CO 0.00 -0.30 1.06 -2.16 -1.06 0.00 0.00 176.35 173.88 1nfa s PRO 7 N -4.24 3.04 -0.35 1.48 0.04 -1.26 -5.02 135.00 128.70 1nfa s PRO 7 Ca 0.40 0.86 0.13 0.00 0.04 0.00 0.00 61.00 62.43 1nfa s PRO 7 Cb -0.09 -2.01 0.46 0.00 0.04 0.00 0.00 34.50 32.89 1nfa s PRO 7 CO 0.34 -1.00 1.06 -1.13 0.04 0.00 0.00 177.00 176.31 1nfa n SER 8 N -3.05 3.03 -4.99 6.66 3.41 -1.26 -5.08 113.62 112.33 1nfa n SER 8 Ca 0.07 -3.08 -0.19 0.00 -0.26 0.00 0.00 58.87 55.42 1nfa n SER 8 Cb 0.54 -0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1nfa n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1nfa s HIS 9 N -3.44 3.09 0.20 7.33 5.04 -1.26 -4.98 115.29 121.27 1nfa s HIS 9 Ca 0.37 -0.22 0.00 0.00 -1.54 0.00 0.00 55.06 53.67 1nfa s HIS 9 Cb 0.41 -2.05 0.00 0.00 0.04 0.00 0.00 32.58 30.98 1nfa s HIS 9 CO -0.05 -0.07 0.00 -1.13 -2.34 0.00 0.00 174.74 171.16 1nfa n SER 10 N -1.68 -3.20 0.00 9.88 3.41 -1.26 -5.11 113.62 115.67 1nfa n SER 10 Ca 0.01 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1nfa n SER 10 Cb 0.58 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1nfa n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nfa n GLY 11 N -1.58 -0.94 0.00 5.00 0.00 -1.26 -5.16 105.19 101.25 1nfa n GLY 11 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 1.23 -3.30 1.61 -0.04 -1.26 -4.99 135.00 128.25 1nfa n PRO 12 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1nfa n PRO 12 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1nfa n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1nfa s TYR 13 N 0.00 3.30 -0.13 0.54 1.51 -1.26 -4.74 117.35 116.57 1nfa s TYR 13 Ca 0.00 0.14 -0.17 0.00 -1.01 0.00 0.00 57.07 56.04 1nfa s TYR 13 Cb 0.00 -2.05 0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1nfa s TYR 13 CO 0.00 -0.07 0.44 -2.00 -1.11 0.00 0.00 175.55 172.81 1nfa s GLU 14 N -4.35 0.59 -0.32 -0.62 2.12 -1.21 -4.96 118.70 109.96 1nfa s GLU 14 Ca 0.44 0.44 -0.02 0.00 0.36 0.00 0.00 54.97 56.18 1nfa s GLU 14 Cb -0.10 0.28 0.11 0.00 0.26 0.00 0.00 34.13 34.68 1nfa s GLU 14 CO 0.35 -0.11 0.14 -1.17 -0.54 0.00 0.00 175.26 173.93 1nfa s LEU 15 N -0.18 1.37 0.13 2.70 2.96 -1.26 -3.01 118.68 121.40 1nfa s LEU 15 Ca -0.03 -1.62 -0.00 0.00 -0.22 0.00 0.00 54.13 52.25 1nfa s LEU 15 Cb -0.03 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 1nfa s LEU 15 CO 0.02 -0.40 0.03 -0.60 -1.32 0.00 0.00 176.35 174.07 1nfa s ARG 16 N 1.67 0.93 0.11 1.98 3.52 -1.25 -4.88 118.95 121.04 1nfa s ARG 16 Ca 0.11 -1.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.16 1nfa s ARG 16 Cb -0.18 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.23 1nfa s ARG 16 CO -0.25 -0.20 0.47 0.42 -0.81 0.00 0.00 175.30 174.93 1nfa s ILE 17 N -3.91 4.99 0.14 4.11 1.09 -1.26 -3.53 121.20 122.82 1nfa s ILE 17 Ca 0.21 0.61 -0.04 0.00 -1.10 0.00 0.00 60.65 60.33 1nfa s ILE 17 Cb 0.07 -3.68 -0.17 0.00 -1.06 0.00 0.00 42.46 37.62 1nfa s ILE 17 CO 0.01 0.25 1.33 -0.08 -0.10 0.00 0.00 174.94 176.34 1nfa h GLU 18 N 3.59 0.42 -1.49 2.79 4.57 -1.90 -3.43 114.58 119.14 1nfa h GLU 18 Ca -0.49 -0.43 -0.13 0.00 -1.18 0.00 0.00 59.36 57.13 1nfa h GLU 18 Cb 1.19 0.12 -0.26 0.00 -0.16 0.00 0.00 28.75 29.64 1nfa h GLU 18 CO 0.66 1.09 -0.50 0.08 -1.18 0.00 0.00 179.01 179.16 1nfa s VAL 19 N -3.34 -0.74 0.96 0.32 1.01 -1.26 -5.03 120.40 112.31 1nfa s VAL 19 Ca -0.06 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1nfa s VAL 19 Cb 0.09 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1nfa s VAL 19 CO 0.86 -0.21 0.32 0.00 0.00 0.00 0.00 175.10 176.07 1nfa n GLN 20 N 5.25 -0.32 -2.26 2.72 3.00 -1.26 -3.46 117.38 121.06 1nfa n GLN 20 Ca 0.03 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.64 1nfa n GLN 20 Cb 0.51 -1.80 -0.02 0.00 0.00 0.00 0.00 30.24 28.93 1nfa n GLN 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1nfa s PRO 21 N -3.53 3.74 1.02 -1.09 0.04 -1.25 -4.80 135.00 129.14 1nfa s PRO 21 Ca 0.56 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 1nfa s PRO 21 Cb -0.21 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1nfa s PRO 21 CO 0.68 -0.45 -0.51 1.63 0.04 0.00 0.00 177.00 178.40 1nfa n LYS 22 N -1.79 -0.50 -0.75 4.56 4.76 -1.24 -4.81 118.16 118.41 1nfa n LYS 22 Ca 0.07 -0.13 -0.05 0.00 -2.87 0.00 0.00 58.31 55.33 1nfa n LYS 22 Cb 0.54 -1.38 0.22 0.00 -1.84 0.00 0.00 35.03 32.56 1nfa n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1nfa n SER 23 N 1.01 4.02 -4.24 4.39 2.88 -1.26 -4.76 113.62 115.66 1nfa n SER 23 Ca 0.01 -2.88 -0.13 0.00 -1.33 0.00 0.00 58.87 54.54 1nfa n SER 23 Cb 0.62 -0.68 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.30 1.23 -0.30 0.66 -3.43 -1.26 -3.92 115.29 105.97 1nfa s HIS 24 Ca 0.40 -1.12 -0.01 0.00 -0.80 0.00 0.00 55.06 53.52 1nfa s HIS 24 Cb 0.32 -0.70 0.19 0.00 -1.43 0.00 0.00 32.58 30.96 1nfa s HIS 24 CO 0.10 -0.33 0.68 -1.58 -2.00 0.00 0.00 174.74 171.61 1nfa s HIS 25 N -3.79 -1.48 -0.91 0.38 2.46 -1.26 -4.95 115.29 105.73 1nfa s HIS 25 Ca 0.29 1.33 -0.24 0.00 0.47 0.00 0.00 55.06 56.90 1nfa s HIS 25 Cb 0.07 0.43 0.00 0.00 -0.13 0.00 0.00 32.58 32.95 1nfa s HIS 25 CO 0.07 -0.83 1.66 0.50 -2.47 0.00 0.00 174.74 173.67 1nfa s ARG 26 N 2.87 3.07 -0.37 2.88 3.52 -1.26 -4.84 118.95 124.82 1nfa s ARG 26 Ca 0.16 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1nfa s ARG 26 Cb -0.12 -5.06 0.15 0.00 -1.56 0.00 0.00 34.95 28.36 1nfa s ARG 26 CO -0.21 -2.70 0.29 0.00 -0.81 0.00 0.00 175.30 171.87 1nfa s ALA 27 N 7.37 0.43 0.00 6.12 0.00 -1.26 -4.92 121.76 129.51 1nfa s ALA 27 Ca 0.56 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1nfa s ALA 27 Cb -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1nfa s ALA 27 CO -0.02 -2.12 0.00 0.72 0.00 0.00 0.00 175.76 174.35 1nfa n HIS 28 N 3.98 0.00 0.00 0.00 8.25 -1.26 -4.98 115.22 121.21 1nfa n HIS 28 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1nfa n HIS 28 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1nfa n HIS 28 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nfa n TYR 29 N 0.00 0.00 -2.94 4.41 4.02 -1.26 -5.03 117.16 116.37 1nfa n TYR 29 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1nfa n TYR 29 Cb 0.00 0.23 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 1nfa n TYR 29 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1nfa s GLU 30 N -0.97 4.08 -0.18 -0.72 -1.05 -1.26 -4.88 118.70 113.73 1nfa s GLU 30 Ca 0.00 0.75 0.20 0.00 -0.15 0.00 0.00 54.97 55.77 1nfa s GLU 30 Cb 0.00 -3.68 0.42 0.00 -0.44 0.00 0.00 34.13 30.43 1nfa s GLU 30 CO 0.00 -0.58 1.19 -2.37 0.95 0.00 0.00 175.26 174.45 1nfa n THR 31 N 5.37 0.60 -2.78 1.83 5.66 -1.26 -4.81 114.28 118.88 1nfa n THR 31 Ca 0.04 -1.81 -0.11 0.00 -3.05 0.00 0.00 64.05 59.12 1nfa n THR 31 Cb 0.48 1.10 0.02 0.00 -1.55 0.00 0.00 70.33 70.37 1nfa n THR 31 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1nfa n GLU 32 N -0.40 1.10 0.00 1.09 4.71 -1.26 -5.03 120.64 120.85 1nfa n GLU 32 Ca -0.01 -3.28 0.00 0.00 -0.01 0.00 0.00 57.16 53.87 1nfa n GLU 32 Cb 0.90 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.98 1nfa n GLU 32 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nfa n GLY 33 N 0.02 4.21 2.73 0.62 0.00 -1.26 -4.97 105.19 106.54 1nfa n GLY 33 Ca 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 -4.99 0.00 1.61 2.88 -1.26 -4.59 113.62 107.27 1nfa n SER 34 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1nfa n SER 34 Cb 0.00 -2.60 0.00 0.00 -0.75 0.00 0.00 64.21 60.86 1nfa n SER 34 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1nfa n ARG 35 N -0.22 0.00 0.00 -1.46 1.74 -1.26 -4.69 116.66 110.77 1nfa n ARG 35 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1nfa n ARG 35 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 1nfa n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfa n GLY 36 N 0.00 2.44 3.70 -0.13 0.00 -1.26 -4.66 105.19 105.27 1nfa n GLY 36 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1nfa n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfa s ALA 37 N 0.00 3.66 0.37 4.61 0.00 -1.26 -4.68 121.76 124.45 1nfa s ALA 37 Ca 0.00 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.34 1nfa s ALA 37 Cb 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 1nfa s ALA 37 CO 0.00 -0.08 1.24 0.54 0.00 0.00 0.00 175.76 177.47 1nfa s VAL 38 N -2.79 2.89 -0.24 0.00 0.11 -1.26 -5.00 120.40 114.11 1nfa s VAL 38 Ca 0.21 0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 60.04 1nfa s VAL 38 Cb 0.06 -3.49 0.10 0.00 -1.53 0.00 0.00 36.38 31.52 1nfa s VAL 38 CO 0.11 0.14 0.20 -0.54 -3.33 0.00 0.00 175.10 171.68 1nfa s LYS 39 N -2.05 0.20 -0.30 1.54 1.02 -1.26 -4.84 119.74 114.06 1nfa s LYS 39 Ca 0.53 -0.08 0.01 0.00 0.02 0.00 0.00 55.97 56.45 1nfa s LYS 39 Cb -0.36 -1.15 0.19 0.00 -0.52 0.00 0.00 37.83 35.99 1nfa s LYS 39 CO 0.46 -0.83 0.63 0.00 -0.92 0.00 0.00 175.35 174.70 1nfa s ALA 40 N 2.26 -2.43 0.00 5.17 0.00 -1.12 -4.93 121.76 120.71 1nfa s ALA 40 Ca 0.07 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1nfa s ALA 40 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1nfa s ALA 40 CO -0.22 -1.56 0.00 -1.13 0.00 0.00 0.00 175.76 172.85 1nfa n SER 41 N 5.42 0.00 -2.29 0.00 3.41 -1.26 0.57 113.62 119.47 1nfa n SER 41 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.40 1nfa n SER 41 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1nfa n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfa n ALA 42 N 7.88 6.16 -0.61 7.33 0.00 -1.26 -4.94 120.51 135.07 1nfa n ALA 42 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1nfa n ALA 42 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 1.05 1.68 0.11 0.00 0.00 0.19 -0.96 105.19 107.27 1nfa n GLY 43 Ca 0.44 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.64 1nfa n GLY 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nfa h GLY 44 N 0.00 0.00 -0.07 -0.02 0.00 -1.85 -2.96 103.07 98.17 1nfa h GLY 44 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1nfa h GLY 44 CO 0.00 0.00 -0.01 1.57 0.00 0.00 0.00 176.54 178.10 1nfa n HIS 45 N -2.77 -0.02 -2.59 5.60 -0.00 -0.13 -3.59 115.22 111.71 1nfa n HIS 45 Ca -0.03 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.72 1nfa n HIS 45 Cb 0.66 -0.98 -0.02 0.00 -0.12 0.00 0.00 29.99 29.52 1nfa n HIS 45 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1nfa s PRO 46 N -3.63 3.94 -0.02 1.57 0.04 -1.23 -3.84 135.00 131.83 1nfa s PRO 46 Ca 0.00 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 1nfa s PRO 46 Cb 0.00 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1nfa s PRO 46 CO 0.00 -1.09 0.12 0.42 0.04 0.00 0.00 177.00 176.50 1nfa s ILE 47 N 4.02 5.07 -0.05 0.56 -1.09 -1.22 -2.66 121.20 125.83 1nfa s ILE 47 Ca 0.48 -0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.65 1nfa s ILE 47 Cb -0.11 -3.32 0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1nfa s ILE 47 CO 0.22 0.38 0.01 -0.69 -1.23 0.00 0.00 174.94 173.62 1nfa s VAL 48 N -1.22 0.21 0.00 2.92 1.01 -1.13 -3.37 120.40 118.82 1nfa s VAL 48 Ca 0.23 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1nfa s VAL 48 Cb -0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 1nfa s VAL 48 CO 0.14 0.20 -0.01 -1.58 0.00 0.00 0.00 175.10 173.85 1nfa s GLN 49 N 1.57 0.08 -0.01 2.72 0.74 -1.23 -2.75 119.66 120.77 1nfa s GLN 49 Ca -0.02 -0.15 0.07 0.00 0.05 0.00 0.00 55.36 55.31 1nfa s GLN 49 Cb -0.13 0.03 -0.02 0.00 1.10 0.00 0.00 33.01 33.99 1nfa s GLN 49 CO -0.03 -0.01 -0.22 -1.17 -0.55 0.00 0.00 175.29 173.31 1nfa s LEU 50 N -0.37 2.31 -0.38 3.68 0.20 -1.26 -3.92 118.68 118.93 1nfa s LEU 50 Ca -0.04 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.40 1nfa s LEU 50 Cb -0.03 -1.41 0.16 0.00 -0.43 0.00 0.00 46.19 44.48 1nfa s LEU 50 CO -0.00 0.31 0.29 -1.00 -0.29 0.00 0.00 176.35 175.66 1nfa s HIS 51 N -0.70 0.81 0.00 5.38 3.76 -1.16 -4.80 115.29 118.57 1nfa s HIS 51 Ca 0.11 -1.91 0.00 0.00 -0.15 0.00 0.00 55.06 53.11 1nfa s HIS 51 Cb -0.10 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.72 1nfa s HIS 51 CO 0.00 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.46 1nfa n GLY 52 N 3.45 0.03 0.00 -2.22 0.00 -1.26 -3.32 105.19 101.86 1nfa n GLY 52 Ca 0.21 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1nfa n GLY 52 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nfa n TYR 53 N 0.00 0.00 -1.13 1.61 9.36 -1.26 -4.66 117.16 121.07 1nfa n TYR 53 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1nfa n TYR 53 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 0.00 0.00 -4.34 2.98 -0.00 -1.26 -4.96 117.00 109.42 1nfa n LEU 54 Ca 0.00 -0.12 -0.29 0.00 -0.00 0.00 0.00 56.01 55.60 1nfa n LEU 54 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1nfa n LEU 54 CO 0.00 0.04 -0.56 -0.70 -0.00 0.00 0.00 177.39 176.17 1nfa s GLU 55 N 0.00 1.65 -0.30 1.47 -6.30 -1.26 -5.02 118.70 108.94 1nfa s GLU 55 Ca 0.00 -1.14 0.00 0.00 -2.50 0.00 0.00 54.97 51.34 1nfa s GLU 55 Cb 0.00 -1.88 0.28 0.00 0.00 0.00 0.00 34.13 32.52 1nfa s GLU 55 CO 0.00 0.48 1.79 0.27 0.02 0.00 0.00 175.26 177.82 1nfa n ASN 56 N 1.60 5.23 -4.83 -1.70 2.04 -1.26 -4.90 115.26 111.44 1nfa n ASN 56 Ca -0.17 -3.00 -0.36 0.00 -0.44 0.00 0.00 54.58 50.61 1nfa n ASN 56 Cb 0.52 -0.89 -0.07 0.00 -2.53 0.00 0.00 39.78 36.81 1nfa n ASN 56 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 1nfa s GLU 57 N -1.85 3.56 0.51 -3.83 -1.05 -1.26 -5.09 118.70 109.70 1nfa s GLU 57 Ca 0.32 -0.17 -0.17 0.00 -0.15 0.00 0.00 54.97 54.80 1nfa s GLU 57 Cb 0.26 -3.20 -0.08 0.00 -0.44 0.00 0.00 34.13 30.66 1nfa s GLU 57 CO 0.02 0.67 0.98 -1.25 0.95 0.00 0.00 175.26 176.64 1nfa s PRO 58 N -0.72 3.96 0.04 -4.83 0.04 -1.26 -4.88 135.00 127.34 1nfa s PRO 58 Ca 0.13 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 1nfa s PRO 58 Cb -0.12 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1nfa s PRO 58 CO 0.03 -0.27 0.01 -0.51 0.04 0.00 0.00 177.00 176.30 1nfa s LEU 59 N -4.03 2.21 0.03 -3.56 1.43 -0.91 -4.97 118.68 108.88 1nfa s LEU 59 Ca 0.59 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 1nfa s LEU 59 Cb -0.10 0.32 -0.06 0.00 0.03 0.00 0.00 46.19 46.38 1nfa s LEU 59 CO 0.30 -0.51 0.66 0.00 0.23 0.00 0.00 176.35 177.03 1nfa s MET 60 N -2.99 4.38 -0.06 1.70 0.23 -1.26 -2.18 119.30 119.11 1nfa s MET 60 Ca -0.02 0.87 -0.22 0.00 -1.03 0.00 0.00 55.69 55.29 1nfa s MET 60 Cb 0.01 -3.34 -0.04 0.00 -1.53 0.00 0.00 34.83 29.93 1nfa s MET 60 CO -0.07 0.38 0.64 -1.17 -2.03 0.00 0.00 175.02 172.77 1nfa s LEU 61 N -0.28 4.33 -1.06 0.18 0.20 -0.64 -4.65 118.68 116.77 1nfa s LEU 61 Ca 0.34 1.12 -0.11 0.00 0.69 0.00 0.00 54.13 56.17 1nfa s LEU 61 Cb -0.19 -2.98 0.25 0.00 -0.43 0.00 0.00 46.19 42.83 1nfa s LEU 61 CO 0.20 -0.05 1.07 -1.10 -0.29 0.00 0.00 176.35 176.19 1nfa s GLN 62 N 0.54 4.04 -0.15 1.98 -0.21 -1.09 -3.19 119.66 121.58 1nfa s GLN 62 Ca 0.34 -2.94 -0.09 0.00 0.02 0.00 0.00 55.36 52.69 1nfa s GLN 62 Cb -0.17 -4.60 -0.04 0.00 1.00 0.00 0.00 33.01 29.19 1nfa s GLN 62 CO 0.17 -1.33 0.15 -1.17 -2.12 0.00 0.00 175.29 170.99 1nfa s LEU 63 N -0.52 4.32 0.15 2.90 2.96 -0.88 -2.37 118.68 125.25 1nfa s LEU 63 Ca 0.29 0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 54.50 1nfa s LEU 63 Cb -0.09 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 1nfa s LEU 63 CO -0.07 0.31 0.29 0.12 -1.32 0.00 0.00 176.35 175.68 1nfa s PHE 64 N -0.47 0.28 -0.29 5.38 5.36 -0.82 -1.30 117.98 126.13 1nfa s PHE 64 Ca 0.13 -0.66 -0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1nfa s PHE 64 Cb -0.12 -0.01 0.09 0.00 -0.34 0.00 0.00 43.02 42.65 1nfa s PHE 64 CO 0.02 -0.70 0.06 -1.50 -1.46 0.00 0.00 175.22 171.63 1nfa s ILE 65 N -3.93 1.16 0.15 3.12 1.10 -1.26 -0.19 121.20 121.34 1nfa s ILE 65 Ca 0.14 -1.42 0.09 0.00 -0.51 0.00 0.00 60.65 58.95 1nfa s ILE 65 Cb 0.03 -1.77 -0.04 0.00 0.15 0.00 0.00 42.46 40.83 1nfa s ILE 65 CO -0.03 -0.51 -0.19 -0.83 -2.11 0.00 0.00 174.94 171.26 1nfa s GLY 66 N 1.50 1.38 0.45 1.50 0.00 -0.41 -4.31 107.32 107.42 1nfa s GLY 66 Ca 0.06 -1.43 -0.21 0.00 0.00 0.00 0.00 44.72 43.14 1nfa s GLY 66 CO -0.17 -1.47 1.00 -0.51 0.00 0.00 0.00 173.10 171.95 1nfa s THR 67 N -1.78 4.05 -0.24 0.90 -4.23 -0.06 -0.55 115.64 113.74 1nfa s THR 67 Ca 0.14 1.31 -0.05 0.00 -1.18 0.00 0.00 61.69 61.90 1nfa s THR 67 Cb -0.07 -3.54 0.12 0.00 1.34 0.00 0.00 72.50 70.35 1nfa s THR 67 CO 0.06 -0.24 0.45 0.00 -0.54 0.00 0.00 174.62 174.35 1nfa s ALA 68 N -2.03 -1.37 -1.26 3.99 0.00 -1.26 -2.67 121.76 117.16 1nfa s ALA 68 Ca 0.64 1.46 0.28 0.00 0.00 0.00 0.00 51.96 54.33 1nfa s ALA 68 Cb -0.14 -1.58 0.98 0.00 0.00 0.00 0.00 23.12 22.38 1nfa s ALA 68 CO 0.18 -1.00 1.72 -0.25 0.00 0.00 0.00 175.76 176.41 1nfa n ASP 69 N 5.39 0.37 0.00 0.00 9.92 -1.26 -4.66 116.55 126.31 1nfa n ASP 69 Ca -0.06 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 1nfa n ASP 69 Cb 0.50 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1nfa n ASP 69 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nfa n ASP 70 N -1.27 0.00 0.00 -2.24 8.00 -1.26 -5.04 116.55 114.74 1nfa n ASP 70 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1nfa n ASP 70 Cb 0.32 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1nfa n ASP 70 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1nfa n ARG 71 N -1.93 0.00 -1.52 -1.24 0.63 -1.26 -5.06 116.66 106.28 1nfa n ARG 71 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1nfa n ARG 71 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 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 -0.38 0.47 -4.72 6.15 -0.00 -1.26 -4.84 117.00 112.42 1nfa n LEU 72 Ca 0.00 -1.20 -0.42 0.00 -0.00 0.00 0.00 56.01 54.39 1nfa n LEU 72 Cb 0.00 -1.22 -0.03 0.00 -0.00 0.00 0.00 43.42 42.17 1nfa n LEU 72 CO 0.00 -2.23 1.20 -1.48 -0.00 0.00 0.00 177.39 174.88 1nfa s LEU 73 N 9.16 4.37 0.08 1.47 0.05 -1.26 -4.56 118.68 127.99 1nfa s LEU 73 Ca 1.03 2.55 -0.07 0.00 0.05 0.00 0.00 54.13 57.69 1nfa s LEU 73 Cb -0.38 -3.59 -0.01 0.00 -2.05 0.00 0.00 46.19 40.16 1nfa s LEU 73 CO 0.26 -0.79 0.14 -0.13 -0.55 0.00 0.00 176.35 175.27 1nfa s ARG 74 N 1.22 0.80 0.32 1.48 1.81 -1.09 -4.99 118.95 118.50 1nfa s ARG 74 Ca 0.69 -1.04 -0.27 0.00 -1.72 0.00 0.00 55.73 53.39 1nfa s ARG 74 Cb -0.42 0.31 -0.09 0.00 -0.45 0.00 0.00 34.95 34.30 1nfa s ARG 74 CO 0.31 -0.23 1.04 -1.25 -0.68 0.00 0.00 175.30 174.49 1nfa s PRO 75 N -3.88 4.49 0.83 3.54 0.04 -1.26 -0.88 135.00 137.87 1nfa s PRO 75 Ca 0.06 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1nfa s PRO 75 Cb 0.06 -2.92 0.09 0.00 0.04 0.00 0.00 34.50 31.77 1nfa s PRO 75 CO -0.10 0.13 1.10 -1.58 0.04 0.00 0.00 177.00 176.59 1nfa s HIS 76 N -1.40 2.29 -0.02 0.56 2.46 -1.26 -4.69 115.29 113.23 1nfa s HIS 76 Ca 0.50 1.56 -0.06 0.00 0.47 0.00 0.00 55.06 57.53 1nfa s HIS 76 Cb -0.26 -3.13 -0.03 0.00 -0.13 0.00 0.00 32.58 29.03 1nfa s HIS 76 CO 0.33 -2.17 0.39 0.00 -2.47 0.00 0.00 174.74 170.82 1nfa h ALA 77 N -1.40 -0.36 -0.01 1.58 0.00 -1.96 -3.40 119.26 113.71 1nfa h ALA 77 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nfa h ALA 77 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nfa h ALA 77 CO 0.50 -0.35 -0.18 1.97 0.00 0.00 0.00 179.25 181.19 1nfa n PHE 78 N -3.46 0.00 -2.74 0.00 -1.74 -1.26 -4.91 117.46 103.35 1nfa n PHE 78 Ca -0.02 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.44 1nfa n PHE 78 Cb 0.08 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.04 1nfa n PHE 78 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 1nfa s TYR 79 N -1.24 2.72 0.00 2.97 1.51 -1.26 -4.59 117.35 117.46 1nfa s TYR 79 Ca 0.08 0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 1nfa s TYR 79 Cb 0.07 -4.24 0.00 0.00 -0.11 0.00 0.00 41.96 37.68 1nfa s TYR 79 CO 0.22 -1.44 0.41 0.00 -1.11 0.00 0.00 175.55 173.63 1nfa n GLN 80 N 7.84 0.00 -2.57 -0.62 -0.00 -1.26 -4.42 117.38 116.35 1nfa n GLN 80 Ca 0.04 -0.41 -0.36 0.00 -0.00 0.00 0.00 57.00 56.27 1nfa n GLN 80 Cb 0.48 -0.41 -0.04 0.00 -0.00 0.00 0.00 30.24 30.27 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 3.80 -0.34 -0.39 -7.23 -1.26 -4.76 120.40 110.22 1nfa s VAL 81 Ca 0.00 1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 61.48 1nfa s VAL 81 Cb 0.00 -3.65 0.28 0.00 0.56 0.00 0.00 36.38 33.58 1nfa s VAL 81 CO 0.00 -0.05 1.25 1.57 -0.31 0.00 0.00 175.10 177.55 1nfa n HIS 82 N -0.24 -0.73 -5.12 2.82 -0.00 -1.26 -4.27 115.22 106.41 1nfa n HIS 82 Ca 0.06 -0.80 -0.28 0.00 -0.00 0.00 0.00 57.72 56.69 1nfa n HIS 82 Cb 0.50 1.15 -0.16 0.00 -0.00 0.00 0.00 29.99 31.49 1nfa n HIS 82 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1nfa s ARG 83 N 0.14 1.84 -0.17 1.57 6.06 -1.25 -4.97 118.95 122.16 1nfa s ARG 83 Ca 0.25 -0.81 -0.09 0.00 -2.50 0.00 0.00 55.73 52.59 1nfa s ARG 83 Cb 0.23 -1.77 -0.05 0.00 0.06 0.00 0.00 34.95 33.42 1nfa s ARG 83 CO -0.12 0.48 0.13 0.42 -2.50 0.00 0.00 175.30 173.72 1nfa s ILE 84 N -0.52 5.43 0.00 4.11 1.09 -1.20 -4.27 121.20 125.84 1nfa s ILE 84 Ca 0.08 0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.82 1nfa s ILE 84 Cb -0.09 -3.44 0.00 0.00 -1.06 0.00 0.00 42.46 37.88 1nfa s ILE 84 CO -0.01 0.50 0.00 0.35 -0.10 0.00 0.00 174.94 175.69 1nfa n THR 85 N 2.98 0.00 0.00 2.92 -2.24 -1.26 -4.93 114.28 111.75 1nfa n THR 85 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 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 3.40 2.44 3.59 3.38 0.00 -1.26 -3.79 105.19 112.94 1nfa n GLY 86 Ca 0.00 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 3.47 0.51 1.61 2.20 -1.26 -4.99 119.74 121.27 1nfa s LYS 87 Ca 0.00 0.82 0.02 0.00 -0.36 0.00 0.00 55.97 56.45 1nfa s LYS 87 Cb 0.00 -4.07 0.10 0.00 -1.51 0.00 0.00 37.83 32.35 1nfa s LYS 87 CO 0.00 -1.71 0.70 0.25 -0.36 0.00 0.00 175.35 174.23 1nfa n THR 88 N 7.05 0.00 -3.17 3.43 -2.24 -1.25 -5.04 114.28 113.07 1nfa n THR 88 Ca 0.16 -1.24 -0.39 0.00 -2.27 0.00 0.00 64.05 60.31 1nfa n THR 88 Cb 0.48 -0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.06 4.99 -1.96 2.28 0.11 -1.26 -4.93 120.40 117.58 1nfa s VAL 89 Ca 0.48 1.27 0.23 0.00 -2.93 0.00 0.00 61.98 61.04 1nfa s VAL 89 Cb -0.03 -3.95 0.65 0.00 -1.53 0.00 0.00 36.38 31.51 1nfa s VAL 89 CO 0.31 0.35 1.76 -1.20 -3.33 0.00 0.00 175.10 173.00 1nfa n SER 90 N 3.21 0.00 0.00 3.54 7.64 -1.26 -4.12 113.62 122.63 1nfa n SER 90 Ca -0.05 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1nfa n SER 90 Cb 0.51 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1nfa n SER 90 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nfa n THR 91 N -1.02 0.00 0.00 0.44 -1.04 -1.26 -5.09 114.28 106.31 1nfa n THR 91 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1nfa n THR 91 Cb 0.09 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1nfa n THR 91 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1nfa n THR 92 N -0.38 0.00 -3.50 12.58 -2.24 -1.26 -5.09 114.28 114.39 1nfa n THR 92 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1nfa n THR 92 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1nfa n THR 92 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nfa s SER 93 N 0.00 -0.44 -0.03 3.42 1.04 -1.26 -4.91 113.70 111.51 1nfa s SER 93 Ca 0.00 0.16 -0.24 0.00 0.48 0.00 0.00 55.95 56.35 1nfa s SER 93 Cb 0.00 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1nfa s SER 93 CO 0.00 -0.64 0.52 -1.00 0.98 0.00 0.00 173.24 173.11 1nfa s HIS 94 N -2.64 -0.46 0.11 5.02 3.76 -0.96 -4.93 115.29 115.19 1nfa s HIS 94 Ca 0.01 0.76 0.10 0.00 -0.15 0.00 0.00 55.06 55.78 1nfa s HIS 94 Cb -0.01 0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.92 1nfa s HIS 94 CO -0.06 -0.52 -0.26 -2.00 -0.85 0.00 0.00 174.74 171.05 1nfa s GLU 95 N -1.27 1.48 -0.13 1.40 -6.30 -1.26 -2.21 118.70 110.40 1nfa s GLU 95 Ca -0.12 -1.27 -0.05 0.00 -2.50 0.00 0.00 54.97 51.03 1nfa s GLU 95 Cb -0.02 -1.88 0.06 0.00 0.00 0.00 0.00 34.13 32.30 1nfa s GLU 95 CO 0.07 0.46 0.27 0.00 0.02 0.00 0.00 175.26 176.08 1nfa s ALA 96 N -1.00 -0.60 -0.37 6.30 0.00 -1.10 -4.93 121.76 120.06 1nfa s ALA 96 Ca 0.13 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 1nfa s ALA 96 Cb -0.10 -1.00 0.07 0.00 0.00 0.00 0.00 23.12 22.09 1nfa s ALA 96 CO 0.05 -0.60 0.15 -1.50 0.00 0.00 0.00 175.76 173.86 1nfa s ILE 97 N 2.30 3.61 -0.15 0.00 1.10 -1.26 -1.54 121.20 125.26 1nfa s ILE 97 Ca -0.00 -1.49 -0.03 0.00 -0.51 0.00 0.00 60.65 58.62 1nfa s ILE 97 Cb -0.12 -3.20 -0.02 0.00 0.15 0.00 0.00 42.46 39.27 1nfa s ILE 97 CO -0.09 -0.38 -0.06 -1.48 -2.11 0.00 0.00 174.94 170.82 1nfa s LEU 98 N 1.31 3.14 -0.20 8.50 2.34 -0.36 -4.82 118.68 128.59 1nfa s LEU 98 Ca 0.01 -0.17 -0.18 0.00 0.06 0.00 0.00 54.13 53.86 1nfa s LEU 98 Cb -0.21 -1.74 0.03 0.00 -0.56 0.00 0.00 46.19 43.70 1nfa s LEU 98 CO 0.00 0.18 0.30 -1.20 -1.06 0.00 0.00 176.35 174.57 1nfa n SER 99 N 3.48 -4.45 -2.41 1.48 7.64 -1.26 -0.20 113.62 117.92 1nfa n SER 99 Ca -0.18 0.04 -0.03 0.00 1.01 0.00 0.00 58.87 59.72 1nfa n SER 99 Cb 0.53 -1.19 -0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 0.60 -1.62 -3.78 6.43 6.94 -1.26 -4.88 115.26 117.68 1nfa n ASN 100 Ca -0.04 0.41 -0.28 0.00 -0.02 0.00 0.00 54.58 54.64 1nfa n ASN 100 Cb 0.46 -1.51 -0.16 0.00 -2.36 0.00 0.00 39.78 36.21 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 -2.09 0.78 0.09 5.53 2.01 0.73 -5.00 115.64 117.69 1nfa s THR 101 Ca 0.00 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 61.00 1nfa s THR 101 Cb 0.00 -1.25 -0.07 0.00 0.01 0.00 0.00 72.50 71.19 1nfa s THR 101 CO 0.00 -0.21 0.71 -0.54 -0.69 0.00 0.00 174.62 173.88 1nfa s LYS 102 N 1.74 4.44 0.25 4.92 -0.14 -1.26 -1.22 119.74 128.47 1nfa s LYS 102 Ca -0.01 0.99 -0.03 0.00 -1.36 0.00 0.00 55.97 55.56 1nfa s LYS 102 Cb -0.18 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.66 1nfa s LYS 102 CO -0.09 0.49 0.29 0.14 -0.76 0.00 0.00 175.35 175.42 1nfa s VAL 103 N -0.73 0.00 -0.05 3.17 -7.23 -0.59 -4.74 120.40 110.23 1nfa s VAL 103 Ca 0.34 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1nfa s VAL 103 Cb -0.21 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1nfa s VAL 103 CO 0.23 0.00 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.60 1nfa s LEU 104 N -3.17 1.96 -0.03 1.32 0.20 -0.42 -2.70 118.68 115.84 1nfa s LEU 104 Ca 0.34 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.75 1nfa s LEU 104 Cb 0.03 -1.08 0.03 0.00 -0.43 0.00 0.00 46.19 44.74 1nfa s LEU 104 CO 0.15 0.18 0.04 -0.70 -0.29 0.00 0.00 176.35 175.74 1nfa s GLU 105 N -0.04 -0.06 -0.16 1.98 2.12 -0.94 -2.07 118.70 119.53 1nfa s GLU 105 Ca -0.03 0.28 -0.00 0.00 0.36 0.00 0.00 54.97 55.58 1nfa s GLU 105 Cb -0.12 -0.38 0.04 0.00 0.26 0.00 0.00 34.13 33.93 1nfa s GLU 105 CO 0.02 -0.25 -0.06 0.42 -0.54 0.00 0.00 175.26 174.86 1nfa s ILE 106 N 1.62 1.12 -0.77 -3.70 1.09 -1.19 -2.26 121.20 117.10 1nfa s ILE 106 Ca -0.02 -0.60 -0.26 0.00 -1.10 0.00 0.00 60.65 58.67 1nfa s ILE 106 Cb -0.13 -1.27 0.01 0.00 -1.06 0.00 0.00 42.46 40.02 1nfa s ILE 106 CO -0.03 0.16 1.52 -2.16 -0.10 0.00 0.00 174.94 174.33 1nfa s PRO 107 N 1.63 3.05 0.19 2.79 0.04 -1.26 -1.62 135.00 139.83 1nfa s PRO 107 Ca 0.01 -0.18 -0.07 0.00 0.04 0.00 0.00 61.00 60.80 1nfa s PRO 107 Cb -0.15 -4.52 -0.02 0.00 0.04 0.00 0.00 34.50 29.85 1nfa s PRO 107 CO -0.08 -2.43 0.26 -0.48 0.04 0.00 0.00 177.00 174.32 1nfa s LEU 108 N 6.88 0.95 -0.80 -3.56 2.34 -0.93 -4.94 118.68 118.63 1nfa s LEU 108 Ca 0.49 -1.06 0.02 0.00 0.06 0.00 0.00 54.13 53.64 1nfa s LEU 108 Cb -0.08 1.02 0.21 0.00 -0.56 0.00 0.00 46.19 46.78 1nfa s LEU 108 CO 0.11 -0.92 0.69 -0.11 -1.06 0.00 0.00 176.35 175.06 1nfa n LEU 109 N -0.25 3.78 -1.64 1.48 0.00 -1.26 -2.13 117.00 116.97 1nfa n LEU 109 Ca -0.03 -5.21 -0.06 0.00 0.00 0.00 0.00 56.01 50.71 1nfa n LEU 109 Cb 0.64 -0.92 0.01 0.00 0.00 0.00 0.00 43.42 43.14 1nfa n LEU 109 CO 0.27 1.70 1.08 -0.81 0.00 0.00 0.00 177.39 179.63 1nfa n PRO 110 N 1.95 1.29 -0.22 1.96 -0.04 -1.26 -4.07 135.00 134.61 1nfa n PRO 110 Ca 0.22 -0.55 0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1nfa n PRO 110 Cb 0.36 -1.22 0.15 0.00 -0.04 0.00 0.00 33.50 32.75 1nfa n PRO 110 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1nfa n GLU 111 N 1.12 1.30 0.02 0.54 0.28 -1.26 -4.52 120.64 118.12 1nfa n GLU 111 Ca 0.11 -2.69 0.00 0.00 -0.16 0.00 0.00 57.16 54.41 1nfa n GLU 111 Cb 0.53 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1nfa n GLU 111 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1nfa n ASN 112 N -1.30 0.28 0.00 -1.84 6.94 -1.26 -4.45 115.26 113.63 1nfa n ASN 112 Ca 0.16 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1nfa n ASN 112 Cb 0.66 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1nfa n ASN 112 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1nfa n SER 113 N -3.10 0.00 -3.67 0.53 3.41 -1.26 -5.05 113.62 104.48 1nfa n SER 113 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1nfa n SER 113 Cb 0.31 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.73 -0.06 4.33 0.23 -1.26 -5.14 119.30 118.12 1nfa s MET 114 Ca 0.00 0.41 -0.04 0.00 -1.03 0.00 0.00 55.69 55.03 1nfa s MET 114 Cb 0.00 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1nfa s MET 114 CO 0.00 -0.16 0.13 0.50 -2.03 0.00 0.00 175.02 173.46 1nfa s ARG 115 N -0.42 3.33 -0.33 3.16 3.00 -1.26 -4.55 118.95 121.87 1nfa s ARG 115 Ca -0.06 -0.27 -0.01 0.00 -1.00 0.00 0.00 55.73 54.39 1nfa s ARG 115 Cb -0.03 -3.07 0.11 0.00 0.00 0.00 0.00 34.95 31.96 1nfa s ARG 115 CO 0.04 0.72 0.15 0.00 0.00 0.00 0.00 175.30 176.20 1nfa s ALA 116 N -1.13 1.33 -0.04 6.12 0.00 -1.11 -5.04 121.76 121.89 1nfa s ALA 116 Ca 0.20 -1.73 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 1nfa s ALA 116 Cb -0.12 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1nfa s ALA 116 CO 0.10 -1.81 0.70 0.14 0.00 0.00 0.00 175.76 174.89 1nfa s VAL 117 N 1.42 4.97 -0.11 0.00 -7.23 -1.26 -2.82 120.40 115.36 1nfa s VAL 117 Ca 0.12 1.46 0.02 0.00 -1.81 0.00 0.00 61.98 61.78 1nfa s VAL 117 Cb -0.19 -4.04 -0.01 0.00 0.56 0.00 0.00 36.38 32.70 1nfa s VAL 117 CO -0.19 0.29 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.07 1nfa s ILE 118 N 0.54 2.52 -0.36 -0.62 1.01 -1.09 -4.94 121.20 118.26 1nfa s ILE 118 Ca 0.37 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1nfa s ILE 118 Cb -0.18 -2.01 0.29 0.00 0.01 0.00 0.00 42.46 40.56 1nfa s ILE 118 CO 0.19 0.54 1.28 -0.90 0.00 0.00 0.00 174.94 176.05 1nfa n ASP 119 N 3.51 -1.52 -2.75 3.58 5.68 -1.26 -3.52 116.55 120.27 1nfa n ASP 119 Ca -0.19 -2.30 -0.03 0.00 -0.50 0.00 0.00 54.79 51.77 1nfa n ASP 119 Cb 0.53 1.30 0.06 0.00 -1.14 0.00 0.00 41.12 41.87 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 -2.59 2.30 0.32 0.00 0.00 -1.26 -3.23 121.76 117.30 1nfa s ALA 121 Ca 0.24 -1.93 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1nfa s ALA 121 Cb 0.39 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1nfa s ALA 121 CO -0.04 -0.14 0.27 0.41 0.00 0.00 0.00 175.76 176.27 1nfa n GLY 122 N -0.59 2.95 3.47 0.00 0.00 -1.26 -4.17 105.19 105.58 1nfa n GLY 122 Ca -0.05 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.31 2.53 -0.23 -0.61 -4.36 -1.26 -4.41 121.20 109.55 1nfa s ILE 123 Ca 0.38 -2.27 -0.10 0.00 -0.26 0.00 0.00 60.65 58.39 1nfa s ILE 123 Cb 0.02 -2.30 -0.05 0.00 1.25 0.00 0.00 42.46 41.38 1nfa s ILE 123 CO 0.27 -0.33 0.16 -0.22 0.24 0.00 0.00 174.94 175.06 1nfa s LEU 124 N -3.31 4.14 -0.87 0.37 2.96 -1.26 -4.93 118.68 115.78 1nfa s LEU 124 Ca 0.28 0.15 -0.13 0.00 -0.22 0.00 0.00 54.13 54.20 1nfa s LEU 124 Cb -0.06 -2.11 0.23 0.00 0.50 0.00 0.00 46.19 44.75 1nfa s LEU 124 CO 0.14 0.09 0.82 -0.54 -1.32 0.00 0.00 176.35 175.54 1nfa s LYS 125 N 0.89 3.68 0.00 1.98 1.02 -1.26 -4.54 119.74 121.52 1nfa s LYS 125 Ca 0.08 -2.55 0.08 0.00 0.02 0.00 0.00 55.97 53.60 1nfa s LYS 125 Cb -0.13 -4.46 0.01 0.00 -0.52 0.00 0.00 37.83 32.74 1nfa s LYS 125 CO 0.03 -1.29 0.59 -0.11 -0.92 0.00 0.00 175.35 173.65 1nfa n LEU 126 N 3.86 1.19 -1.21 3.17 0.00 -1.26 -5.04 117.00 117.71 1nfa n LEU 126 Ca 0.15 -0.82 0.15 0.00 0.00 0.00 0.00 56.01 55.49 1nfa n LEU 126 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.80 1nfa n LEU 126 CO 0.35 0.24 -0.54 -1.14 0.00 0.00 0.00 177.39 176.30 1nfa n ARG 127 N -0.13 -2.82 -2.26 1.96 0.63 -1.26 -4.66 116.66 108.12 1nfa n ARG 127 Ca 0.04 2.31 -0.29 0.00 -0.92 0.00 0.00 57.85 58.98 1nfa n ARG 127 Cb 0.17 -3.29 0.01 0.00 0.45 0.00 0.00 32.46 29.80 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 -3.97 5.35 0.21 6.15 0.23 -1.26 -4.75 115.26 117.21 1nfa n ASN 128 Ca -0.08 -3.75 0.06 0.00 -0.53 0.00 0.00 54.58 50.28 1nfa n ASN 128 Cb 0.58 -0.56 0.47 0.00 -2.08 0.00 0.00 39.78 38.19 1nfa n ASN 128 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1nfa h SER 129 N 2.55 0.00 0.00 0.53 0.87 -2.00 -3.42 113.55 112.08 1nfa h SER 129 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1nfa h SER 129 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1nfa h SER 129 CO 0.96 0.27 0.00 0.47 -0.53 0.00 0.00 176.83 178.01 1nfa n ASP 130 N -3.99 0.00 -4.58 6.23 8.00 -1.26 -5.10 116.55 115.84 1nfa n ASP 130 Ca -0.02 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 1nfa n ASP 130 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1nfa n ASP 130 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1nfa s ILE 131 N 0.00 3.64 -1.05 0.53 1.10 -1.26 -4.92 121.20 119.24 1nfa s ILE 131 Ca 0.00 0.57 -0.22 0.00 -0.51 0.00 0.00 60.65 60.49 1nfa s ILE 131 Cb 0.00 -4.09 0.06 0.00 0.15 0.00 0.00 42.46 38.58 1nfa s ILE 131 CO 0.00 -0.85 1.45 -1.83 -2.11 0.00 0.00 174.94 171.60 1nfa s GLU 132 N 5.77 3.66 0.70 3.50 -1.05 -1.26 -4.99 118.70 125.03 1nfa s GLU 132 Ca 0.64 -1.34 -0.11 0.00 -0.15 0.00 0.00 54.97 54.01 1nfa s GLU 132 Cb -0.14 -5.33 0.01 0.00 -0.44 0.00 0.00 34.13 28.23 1nfa s GLU 132 CO 0.28 -2.16 1.06 -0.48 0.95 0.00 0.00 175.26 174.91 1nfa s LEU 133 N 4.54 3.13 0.00 1.83 -0.00 -1.26 -5.04 118.68 121.88 1nfa s LEU 133 Ca 0.45 1.65 0.00 0.00 -0.00 0.00 0.00 54.13 56.23 1nfa s LEU 133 Cb -0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 46.19 41.69 1nfa s LEU 133 CO -0.07 -1.51 0.00 -2.11 -0.00 0.00 0.00 176.35 172.65 1nfa n ARG 134 N -3.16 -0.99 -1.38 1.48 1.85 -1.26 -4.66 116.66 108.55 1nfa n ARG 134 Ca 0.08 0.00 -0.51 0.00 -1.00 0.00 0.00 57.85 56.41 1nfa n ARG 134 Cb 0.53 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.83 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 -1.41 0.33 0.00 2.89 4.76 -1.26 -4.87 118.16 118.60 1nfa n LYS 135 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1nfa n LYS 135 Cb 0.00 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 1nfa n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nfa n GLY 136 N 6.91 2.92 0.00 0.72 0.00 -1.26 -5.07 105.19 109.41 1nfa n GLY 136 Ca 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1nfa n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nfa n GLU 137 N 0.00 0.00 -4.15 1.61 0.28 -1.26 -5.15 120.64 111.96 1nfa n GLU 137 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1nfa n GLU 137 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1nfa n GLU 137 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1nfa s THR 138 N -0.53 0.00 -0.13 3.84 -1.32 -1.26 -5.06 115.64 111.18 1nfa s THR 138 Ca 0.00 -1.76 -0.09 0.00 -1.21 0.00 0.00 61.69 58.64 1nfa s THR 138 Cb 0.00 -2.55 0.03 0.00 -1.51 0.00 0.00 72.50 68.47 1nfa s THR 138 CO 0.00 0.00 0.17 0.47 -2.21 0.00 0.00 174.62 173.05 1nfa n ASP 139 N -1.23 -0.88 -1.86 8.08 8.00 -1.26 -5.03 116.55 122.37 1nfa n ASP 139 Ca 0.03 0.92 -0.01 0.00 0.71 0.00 0.00 54.79 56.44 1nfa n ASP 139 Cb 0.62 -3.91 0.01 0.00 -0.02 0.00 0.00 41.12 37.82 1nfa n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nfa n ILE 140 N 1.15 0.00 1.01 0.53 0.13 -1.26 -4.98 119.36 115.93 1nfa n ILE 140 Ca -0.29 -0.22 0.11 0.00 -1.10 0.00 0.00 62.75 61.25 1nfa n ILE 140 Cb 0.45 0.55 -0.04 0.00 -0.84 0.00 0.00 39.64 39.76 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 -0.24 -0.77 3.77 4.50 0.00 -1.26 -4.95 105.19 106.23 1nfa n GLY 141 Ca -0.08 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1nfa n GLY 141 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nfa n ARG 142 N -1.14 -1.33 -4.79 1.61 0.00 -1.26 -4.88 116.66 104.88 1nfa n ARG 142 Ca 0.06 0.09 -0.24 0.00 -0.00 0.00 0.00 57.85 57.75 1nfa n ARG 142 Cb 0.36 -4.31 -0.15 0.00 -0.00 0.00 0.00 32.46 28.36 1nfa n ARG 142 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1nfa s LYS 143 N -6.18 1.42 0.38 2.89 1.02 -1.26 -5.06 119.74 112.95 1nfa s LYS 143 Ca 0.56 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1nfa s LYS 143 Cb -0.33 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 1nfa s LYS 143 CO 0.69 0.33 0.00 0.09 -0.92 0.00 0.00 175.35 175.53 1nfa n ASN 144 N 2.78 -5.27 -2.72 2.83 4.13 -1.26 -4.92 115.26 110.83 1nfa n ASN 144 Ca -0.15 0.86 -0.08 0.00 1.68 0.00 0.00 54.58 56.89 1nfa n ASN 144 Cb 0.54 -3.17 0.10 0.00 -1.54 0.00 0.00 39.78 35.71 1nfa n ASN 144 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1nfa n THR 145 N -3.57 0.12 -2.26 3.41 -2.24 -1.26 -5.06 114.28 103.41 1nfa n THR 145 Ca -0.05 -1.82 -0.27 0.00 -2.27 0.00 0.00 64.05 59.65 1nfa n THR 145 Cb 0.44 1.01 0.05 0.00 -2.10 0.00 0.00 70.33 69.73 1nfa n THR 145 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nfa s ARG 146 N -0.30 2.65 0.02 -0.78 0.52 -1.26 -3.67 118.95 116.13 1nfa s ARG 146 Ca 0.23 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.40 1nfa s ARG 146 Cb 0.38 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1nfa s ARG 146 CO -0.07 -0.94 -0.01 0.14 0.02 0.00 0.00 175.30 174.44 1nfa s VAL 147 N -3.13 0.13 -0.22 3.52 -7.23 -1.22 -4.14 120.40 108.10 1nfa s VAL 147 Ca 0.57 -1.03 -0.10 0.00 -1.81 0.00 0.00 61.98 59.60 1nfa s VAL 147 Cb -0.11 -0.49 0.08 0.00 0.56 0.00 0.00 36.38 36.43 1nfa s VAL 147 CO 0.46 -0.57 0.50 -0.13 -0.31 0.00 0.00 175.10 175.05 1nfa s ARG 148 N -1.87 0.46 -0.49 4.82 0.52 0.29 -4.05 118.95 118.63 1nfa s ARG 148 Ca -0.12 1.04 -0.28 0.00 -0.52 0.00 0.00 55.73 55.85 1nfa s ARG 148 Cb -0.07 0.23 0.03 0.00 0.52 0.00 0.00 34.95 35.66 1nfa s ARG 148 CO -0.02 -0.19 1.09 -0.48 0.02 0.00 0.00 175.30 175.72 1nfa s LEU 149 N 2.01 3.70 -0.15 2.53 2.34 -1.26 -1.29 118.68 126.56 1nfa s LEU 149 Ca -0.07 0.33 -0.28 0.00 0.06 0.00 0.00 54.13 54.17 1nfa s LEU 149 Cb -0.09 -3.41 -0.01 0.00 -0.56 0.00 0.00 46.19 42.11 1nfa s LEU 149 CO -0.15 -1.24 0.95 -0.69 -1.06 0.00 0.00 176.35 174.17 1nfa s VAL 150 N 4.36 4.80 -0.22 1.48 1.01 0.73 -3.90 120.40 128.66 1nfa s VAL 150 Ca 0.45 1.90 -0.04 0.00 0.00 0.00 0.00 61.98 64.29 1nfa s VAL 150 Cb -0.08 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1nfa s VAL 150 CO 0.30 -0.02 -0.02 -0.36 0.00 0.00 0.00 175.10 175.00 1nfa s PHE 151 N 2.27 2.99 -0.10 5.22 0.08 -0.53 -1.94 117.98 125.97 1nfa s PHE 151 Ca 0.44 -0.74 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 1nfa s PHE 151 Cb -0.17 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1nfa s PHE 151 CO 0.14 -0.43 0.20 1.03 -0.10 0.00 0.00 175.22 176.06 1nfa s ARG 152 N 1.34 0.11 -0.13 0.44 0.52 -1.00 -0.06 118.95 120.17 1nfa s ARG 152 Ca 0.04 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.84 1nfa s ARG 152 Cb -0.14 -0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.16 1nfa s ARG 152 CO -0.01 -0.26 -0.14 0.54 0.02 0.00 0.00 175.30 175.45 1nfa s VAL 153 N 2.00 2.92 -0.18 3.52 0.11 -1.25 -2.68 120.40 124.84 1nfa s VAL 153 Ca -0.01 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1nfa s VAL 153 Cb -0.12 -2.22 0.05 0.00 -1.53 0.00 0.00 36.38 32.56 1nfa s VAL 153 CO -0.07 0.53 -0.03 -1.00 -3.33 0.00 0.00 175.10 171.20 1nfa s HIS 154 N 0.38 1.57 -0.08 1.54 3.76 -1.26 -3.83 115.29 117.37 1nfa s HIS 154 Ca -0.12 -1.07 -0.08 0.00 -0.15 0.00 0.00 55.06 53.65 1nfa s HIS 154 Cb -0.16 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 1nfa s HIS 154 CO 0.06 -0.62 0.20 0.54 -0.85 0.00 0.00 174.74 174.06 1nfa s VAL 155 N 1.68 5.41 -0.26 -0.90 0.11 -1.13 -4.89 120.40 120.42 1nfa s VAL 155 Ca -0.00 0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 1nfa s VAL 155 Cb -0.16 -3.47 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1nfa s VAL 155 CO -0.07 0.57 1.33 -2.16 -3.33 0.00 0.00 175.10 171.43 1nfa s PRO 156 N -1.18 3.98 0.21 1.54 0.04 -1.26 -4.81 135.00 133.51 1nfa s PRO 156 Ca 0.19 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1nfa s PRO 156 Cb -0.13 -3.87 -0.05 0.00 0.04 0.00 0.00 34.50 30.49 1nfa s PRO 156 CO 0.08 -1.04 0.00 1.14 0.04 0.00 0.00 177.00 177.22 1nfa s GLN 157 N 4.06 1.25 -0.05 4.56 1.03 -1.26 -5.09 119.66 124.17 1nfa s GLN 157 Ca 0.57 -1.62 -0.05 0.00 0.04 0.00 0.00 55.36 54.31 1nfa s GLN 157 Cb -0.19 -0.47 -0.03 0.00 0.03 0.00 0.00 33.01 32.36 1nfa s GLN 157 CO 0.22 -0.12 0.25 -1.00 -2.54 0.00 0.00 175.29 172.10 1nfa h PRO 158 N 2.56 -0.16 0.00 9.60 0.13 -2.01 -3.42 132.00 138.69 1nfa h PRO 158 Ca -0.38 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1nfa h PRO 158 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nfa h PRO 158 CO 0.63 -0.11 0.00 0.45 -0.23 0.00 0.00 178.00 178.75 1nfa n SER 159 N -4.00 0.00 0.00 1.44 2.88 -1.26 -5.01 113.62 107.67 1nfa n SER 159 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1nfa n SER 159 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1nfa n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nfa n GLY 160 N 0.74 0.33 3.55 0.46 0.00 -1.26 -5.04 105.19 103.96 1nfa n GLY 160 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nfa n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfa n ARG 161 N 0.00 3.08 0.00 1.61 1.74 -1.26 -4.47 116.66 117.36 1nfa n ARG 161 Ca 0.00 -3.20 0.00 0.00 -0.77 0.00 0.00 57.85 53.88 1nfa n ARG 161 Cb 0.00 -3.51 0.00 0.00 -1.02 0.00 0.00 32.46 27.93 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 6.45 0.00 -3.16 0.55 -1.04 -1.26 -5.11 114.28 110.71 1nfa n THR 162 Ca 0.49 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.53 1nfa n THR 162 Cb 0.46 -0.10 -0.01 0.00 -1.82 0.00 0.00 70.33 68.86 1nfa n THR 162 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1nfa s LEU 163 N -1.56 -1.44 -0.42 -4.42 0.05 -1.26 -4.72 118.68 104.91 1nfa s LEU 163 Ca 0.00 0.65 0.03 0.00 0.05 0.00 0.00 54.13 54.85 1nfa s LEU 163 Cb 0.00 2.09 0.19 0.00 -2.05 0.00 0.00 46.19 46.42 1nfa s LEU 163 CO 0.00 -0.27 0.80 -0.55 -0.55 0.00 0.00 176.35 175.78 1nfa s SER 164 N 2.84 -1.12 0.27 1.48 0.15 -1.26 -2.84 113.70 113.22 1nfa s SER 164 Ca 0.17 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 55.90 1nfa s SER 164 Cb -0.14 1.46 -0.06 0.00 -1.71 0.00 0.00 66.02 65.58 1nfa s SER 164 CO -0.22 -0.08 0.06 -1.48 1.20 0.00 0.00 173.24 172.71 1nfa s LEU 165 N 1.40 1.97 0.06 3.45 2.34 -1.25 -5.03 118.68 121.62 1nfa s LEU 165 Ca 0.22 -1.34 0.01 0.00 0.06 0.00 0.00 54.13 53.08 1nfa s LEU 165 Cb 0.01 -0.19 -0.04 0.00 -0.56 0.00 0.00 46.19 45.41 1nfa s LEU 165 CO -0.08 -0.63 0.16 -1.58 -1.06 0.00 0.00 176.35 173.16 1nfa s GLN 166 N -3.94 3.24 -0.41 1.48 2.00 -1.26 -3.92 119.66 116.85 1nfa s GLN 166 Ca 0.35 -0.52 0.07 0.00 -2.00 0.00 0.00 55.36 53.26 1nfa s GLN 166 Cb 0.08 -2.93 0.24 0.00 0.80 0.00 0.00 33.01 31.19 1nfa s GLN 166 CO 0.13 0.60 0.57 0.28 -0.50 0.00 0.00 175.29 176.37 1nfa n VAL 167 N 0.40 -0.62 -4.00 1.34 0.31 0.92 -4.99 118.33 111.68 1nfa n VAL 167 Ca -0.07 -3.40 -0.36 0.00 -0.01 0.00 0.00 64.34 60.51 1nfa n VAL 167 Cb 0.51 -1.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.15 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 -0.63 3.61 -0.29 3.52 0.00 -1.26 -1.45 121.76 125.24 1nfa s ALA 168 Ca 0.34 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 1nfa s ALA 168 Cb 0.16 -1.88 0.18 0.00 0.00 0.00 0.00 23.12 21.58 1nfa s ALA 168 CO -0.14 0.44 1.22 0.45 0.00 0.00 0.00 175.76 177.73 1nfa s SER 169 N -0.47 -0.20 0.00 0.00 0.15 -1.25 -5.00 113.70 106.92 1nfa s SER 169 Ca 0.11 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1nfa s SER 169 Cb -0.12 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1nfa s SER 169 CO 0.02 -0.06 0.00 -3.20 1.20 0.00 0.00 173.24 171.20 1nfa n ASN 170 N 2.70 0.00 -3.89 5.45 5.15 -1.26 -4.23 115.26 119.18 1nfa n ASN 170 Ca -0.15 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.41 1nfa n ASN 170 Cb 0.57 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 1nfa n ASN 170 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1nfa n PRO 171 N 0.00 2.57 -4.15 1.20 -0.04 -1.26 -4.53 135.00 128.79 1nfa n PRO 171 Ca 0.00 -2.55 -0.35 0.00 -0.04 0.00 0.00 63.50 60.56 1nfa n PRO 171 Cb 0.00 -3.27 -0.12 0.00 -0.04 0.00 0.00 33.50 30.07 1nfa n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nfa s ILE 172 N 4.14 4.09 0.05 0.52 -1.09 -1.26 -4.10 121.20 123.55 1nfa s ILE 172 Ca 0.51 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.73 1nfa s ILE 172 Cb 0.12 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1nfa s ILE 172 CO -0.01 0.45 -0.18 -1.83 -1.23 0.00 0.00 174.94 172.14 1nfa s GLU 173 N 0.73 2.04 0.02 2.79 -1.05 -1.25 -3.41 118.70 118.56 1nfa s GLU 173 Ca 0.00 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1nfa s GLU 173 Cb -0.14 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.36 1nfa s GLU 173 CO 0.02 0.53 0.01 0.00 0.95 0.00 0.00 175.26 176.77 1nfa n SER 175 N -1.57 -7.44 0.00 0.00 3.41 -1.26 -4.86 113.62 101.89 1nfa n SER 175 Ca -0.00 1.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1nfa n SER 175 Cb 0.02 -4.07 0.00 0.00 -0.26 0.00 0.00 64.21 59.90 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 1.37 1.69 -1.11 4.33 6.02 -1.26 -5.13 117.38 123.29 1nfa n GLN 176 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1nfa n GLN 176 Cb 0.00 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.38 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 1.67 1.82 0.00 -1.09 3.00 -1.26 -5.26 118.95 117.83 1nfa s ARG 177 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 55.73 56.94 1nfa s ARG 177 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 34.95 33.11 1nfa s ARG 177 CO 0.00 -1.96 0.00 -1.13 0.00 0.00 0.00 175.30 172.21