#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2y s LEU 7 N 0.00 2.93 -0.08 3.14 1.43 -1.26 -5.09 118.68 119.75 1f2y s LEU 7 Ca 0.00 1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 54.12 1f2y s LEU 7 Cb 0.00 -3.89 0.02 0.00 0.03 0.00 0.00 46.19 42.35 1f2y s LEU 7 CO 0.00 -1.32 0.22 -1.38 0.23 0.00 0.00 176.35 174.10 1f2y s HIS 8 N -3.33 -0.24 0.51 0.29 -3.43 -1.26 -5.12 115.29 102.71 1f2y s HIS 8 Ca 0.58 0.59 -0.18 0.00 -0.80 0.00 0.00 55.06 55.25 1f2y s HIS 8 Cb -0.11 0.08 -0.07 0.00 -1.43 0.00 0.00 32.58 31.05 1f2y s HIS 8 CO 0.51 -0.12 1.02 0.15 -2.00 0.00 0.00 174.74 174.30 1f2y s LYS 9 N 0.12 3.77 0.01 -0.38 1.02 -1.26 -4.52 119.74 118.50 1f2y s LYS 9 Ca -0.00 1.17 0.01 0.00 0.02 0.00 0.00 55.97 57.18 1f2y s LYS 9 Cb -0.02 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1f2y s LYS 9 CO 0.00 -0.43 -0.04 -1.21 -0.92 0.00 0.00 175.35 172.75 1f2y s GLU 10 N -3.67 0.33 0.74 1.68 2.02 0.76 -4.91 118.70 115.65 1f2y s GLU 10 Ca 0.63 -0.39 -0.13 0.00 0.02 0.00 0.00 54.97 55.11 1f2y s GLU 10 Cb -0.13 -0.18 0.04 0.00 0.10 0.00 0.00 34.13 33.96 1f2y s GLU 10 CO 0.26 0.04 1.12 -1.25 0.02 0.00 0.00 175.26 175.45 1f2y s PRO 11 N -0.77 2.29 0.18 0.39 0.04 -1.26 0.81 135.00 136.68 1f2y s PRO 11 Ca -0.05 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1f2y s PRO 11 Cb -0.05 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.65 1f2y s PRO 11 CO -0.00 -1.64 0.74 0.00 0.04 0.00 0.00 177.00 176.14 1f2y s ALA 12 N -2.57 -1.50 -0.05 8.56 0.00 -1.04 -4.68 121.76 120.48 1f2y s ALA 12 Ca 0.65 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1f2y s ALA 12 Cb -0.20 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1f2y s ALA 12 CO 0.50 -0.90 -0.15 0.99 0.00 0.00 0.00 175.76 176.20 1f2y s THR 13 N -3.66 1.26 0.23 0.00 2.01 -0.96 -4.28 115.64 110.23 1f2y s THR 13 Ca 0.07 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.17 1f2y s THR 13 Cb -0.03 -1.11 -0.11 0.00 0.01 0.00 0.00 72.50 71.27 1f2y s THR 13 CO -0.03 0.37 1.55 -0.22 -0.69 0.00 0.00 174.62 175.61 1f2y s LEU 14 N 0.29 4.37 -0.13 4.42 2.96 -1.26 -0.59 118.68 128.73 1f2y s LEU 14 Ca -0.08 2.74 -0.08 0.00 -0.22 0.00 0.00 54.13 56.49 1f2y s LEU 14 Cb -0.13 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1f2y s LEU 14 CO 0.03 -0.82 -0.19 -0.38 -1.32 0.00 0.00 176.35 173.66 1f2y n ILE 15 N 3.05 0.94 -3.63 6.68 5.41 -0.46 -4.84 119.36 126.52 1f2y n ILE 15 Ca 0.11 -0.11 -0.10 0.00 1.00 0.00 0.00 62.75 63.64 1f2y n ILE 15 Cb 0.38 -1.77 -0.07 0.00 -0.71 0.00 0.00 39.64 37.48 1f2y n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1f2y s LYS 16 N -2.32 0.59 0.14 0.38 2.20 -1.01 -5.02 119.74 114.70 1f2y s LYS 16 Ca -0.20 0.64 -0.15 0.00 -0.36 0.00 0.00 55.97 55.90 1f2y s LYS 16 Cb 0.07 0.28 -0.07 0.00 -1.51 0.00 0.00 37.83 36.60 1f2y s LYS 16 CO 0.26 -0.08 0.55 0.00 -0.36 0.00 0.00 175.35 175.71 1f2y s ALA 17 N 0.14 3.58 -0.06 3.13 0.00 -1.26 -0.14 121.76 127.15 1f2y s ALA 17 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1f2y s ALA 17 Cb -0.05 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1f2y s ALA 17 CO -0.04 0.45 -0.07 -0.89 0.00 0.00 0.00 175.76 175.21 1f2y n ILE 18 N 0.87 0.32 -4.24 0.00 5.41 -0.56 -4.90 119.36 116.26 1f2y n ILE 18 Ca -0.06 -0.08 -0.16 0.00 1.00 0.00 0.00 62.75 63.46 1f2y n ILE 18 Cb 0.52 -1.58 -0.06 0.00 -0.71 0.00 0.00 39.64 37.80 1f2y n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1f2y n ASP 19 N -3.26 -0.56 0.24 4.38 4.64 -0.66 -4.96 116.55 116.36 1f2y n ASP 19 Ca -0.11 -2.82 0.12 0.00 -1.38 0.00 0.00 54.79 50.60 1f2y n ASP 19 Cb 0.57 1.38 0.60 0.00 -1.04 0.00 0.00 41.12 42.63 1f2y n ASP 19 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1f2y h GLY 20 N 1.69 0.00 -0.84 0.27 0.00 -1.83 -3.19 103.07 99.17 1f2y h GLY 20 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1f2y h GLY 20 CO 0.28 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.91 1f2y n ASP 21 N -3.46 2.47 -3.82 0.19 3.85 -1.26 -4.77 116.55 109.75 1f2y n ASP 21 Ca -0.01 -1.88 -0.13 0.00 -0.71 0.00 0.00 54.79 52.06 1f2y n ASP 21 Cb 0.34 -0.13 -0.15 0.00 -1.35 0.00 0.00 41.12 39.83 1f2y n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1f2y s THR 22 N -0.94 -0.03 -0.01 2.12 2.01 -1.20 -1.31 115.64 116.29 1f2y s THR 22 Ca 0.15 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 1f2y s THR 22 Cb 0.08 -0.07 -0.00 0.00 0.01 0.00 0.00 72.50 72.52 1f2y s THR 22 CO 0.11 0.04 0.03 0.68 -0.69 0.00 0.00 174.62 174.79 1f2y s VAL 23 N 0.51 0.03 -0.17 3.82 -7.23 -0.81 -1.50 120.40 115.04 1f2y s VAL 23 Ca -0.04 -0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 59.76 1f2y s VAL 23 Cb -0.06 -0.13 -0.05 0.00 0.56 0.00 0.00 36.38 36.70 1f2y s VAL 23 CO -0.02 -0.13 0.29 -0.75 -0.31 0.00 0.00 175.10 174.19 1f2y s LYS 24 N -0.38 4.23 0.21 4.82 2.20 0.80 -0.59 119.74 131.03 1f2y s LYS 24 Ca -0.04 0.07 0.04 0.00 -0.36 0.00 0.00 55.97 55.68 1f2y s LYS 24 Cb -0.03 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1f2y s LYS 24 CO -0.00 0.19 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.62 1f2y s LEU 25 N 0.62 2.33 -0.47 5.43 1.43 0.57 -1.35 118.68 127.24 1f2y s LEU 25 Ca 0.16 -1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.02 1f2y s LEU 25 Cb -0.13 -0.34 0.12 0.00 0.03 0.00 0.00 46.19 45.87 1f2y s LEU 25 CO 0.04 -0.43 0.35 -0.32 0.23 0.00 0.00 176.35 176.22 1f2y s MET 26 N -3.81 2.48 -0.17 1.70 -2.45 0.24 0.12 119.30 117.41 1f2y s MET 26 Ca 0.24 -1.77 -0.02 0.00 -1.25 0.00 0.00 55.69 52.90 1f2y s MET 26 Cb 0.04 -3.93 -0.01 0.00 1.25 0.00 0.00 34.83 32.18 1f2y s MET 26 CO 0.06 -1.20 -0.10 -0.47 1.05 0.00 0.00 175.02 174.36 1f2y s TYR 27 N 1.35 2.87 -1.50 4.11 5.04 -0.22 -2.27 117.35 126.74 1f2y s TYR 27 Ca 0.06 -0.89 -0.12 0.00 -2.44 0.00 0.00 57.07 53.68 1f2y s TYR 27 Cb -0.26 -1.96 0.07 0.00 0.35 0.00 0.00 41.96 40.16 1f2y s TYR 27 CO -0.01 -0.43 0.97 1.63 -1.34 0.00 0.00 175.55 176.38 1f2y n LYS 28 N 4.20 -5.66 0.00 4.97 5.02 -1.26 -1.56 118.16 123.87 1f2y n LYS 28 Ca -0.19 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1f2y n LYS 28 Cb 0.52 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 1f2y n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f2y n GLY 29 N -1.71 2.14 3.18 0.72 0.00 -1.26 -5.03 105.19 103.24 1f2y n GLY 29 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1f2y n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f2y s GLN 30 N -0.38 1.42 0.28 1.61 -2.07 -0.60 -5.09 119.66 114.82 1f2y s GLN 30 Ca 0.00 -0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 52.55 1f2y s GLN 30 Cb 0.00 -1.40 -0.10 0.00 -1.09 0.00 0.00 33.01 30.42 1f2y s GLN 30 CO 0.00 0.38 1.40 -1.25 -1.32 0.00 0.00 175.29 174.50 1f2y s PRO 31 N -0.59 4.29 -0.08 9.60 0.04 -1.26 -1.06 135.00 145.94 1f2y s PRO 31 Ca 0.07 2.28 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 1f2y s PRO 31 Cb -0.07 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1f2y s PRO 31 CO -0.00 -0.36 0.30 -1.64 0.04 0.00 0.00 177.00 175.34 1f2y s MET 32 N -0.84 0.46 -0.12 4.56 -1.94 0.12 -4.91 119.30 116.62 1f2y s MET 32 Ca 0.56 0.20 -0.18 0.00 -1.71 0.00 0.00 55.69 54.56 1f2y s MET 32 Cb -0.41 0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.60 1f2y s MET 32 CO 0.47 -0.09 0.47 0.99 -0.01 0.00 0.00 175.02 176.85 1f2y s THR 33 N -0.36 5.19 -0.06 2.05 2.01 -1.26 -0.32 115.64 122.90 1f2y s THR 33 Ca -0.05 0.94 0.03 0.00 0.31 0.00 0.00 61.69 62.92 1f2y s THR 33 Cb -0.03 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1f2y s THR 33 CO 0.02 0.32 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.78 1f2y s PHE 34 N 0.65 2.73 -0.14 4.92 0.40 0.24 -0.21 117.98 126.57 1f2y s PHE 34 Ca 0.26 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1f2y s PHE 34 Cb -0.15 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1f2y s PHE 34 CO 0.10 0.18 -0.05 0.50 0.70 0.00 0.00 175.22 176.65 1f2y s ARG 35 N -0.68 3.47 -0.04 0.44 6.06 0.57 -1.93 118.95 126.83 1f2y s ARG 35 Ca 0.10 -0.54 -0.30 0.00 -2.50 0.00 0.00 55.73 52.50 1f2y s ARG 35 Cb -0.11 -2.82 -0.05 0.00 0.06 0.00 0.00 34.95 32.03 1f2y s ARG 35 CO 0.01 0.33 1.50 -0.51 -2.50 0.00 0.00 175.30 174.13 1f2y s LEU 36 N 0.12 4.30 0.53 -0.88 1.43 -0.43 -3.02 118.68 120.74 1f2y s LEU 36 Ca -0.02 2.12 -0.22 0.00 -1.03 0.00 0.00 54.13 54.99 1f2y s LEU 36 Cb -0.14 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1f2y s LEU 36 CO 0.03 -0.82 1.29 -0.76 0.23 0.00 0.00 176.35 176.32 1f2y s LEU 37 N 3.25 3.87 0.00 1.79 1.43 -0.19 -3.79 118.68 125.05 1f2y s LEU 37 Ca 0.67 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 1f2y s LEU 37 Cb -0.31 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1f2y s LEU 37 CO 0.26 -1.41 0.00 0.18 0.23 0.00 0.00 176.35 175.61 1f2y n LEU 38 N -0.95 0.90 -4.26 1.79 4.77 -1.26 -4.94 117.00 113.05 1f2y n LEU 38 Ca 0.10 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.85 1f2y n LEU 38 Cb 0.46 -1.77 -0.13 0.00 -2.33 0.00 0.00 43.42 39.66 1f2y n LEU 38 CO 0.50 -0.65 -0.51 0.68 -1.33 0.00 0.00 177.39 176.09 1f2y s VAL 39 N -1.21 1.60 -0.19 4.08 -7.23 -1.25 -0.81 120.40 115.39 1f2y s VAL 39 Ca 0.00 -1.44 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1f2y s VAL 39 Cb 0.00 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.51 1f2y s VAL 39 CO 0.00 -0.04 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.76 1f2y s ASP 40 N -1.75 3.32 -0.02 4.85 1.01 0.48 -4.72 116.67 119.84 1f2y s ASP 40 Ca 0.05 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 52.55 1f2y s ASP 40 Cb -0.10 -1.46 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 1f2y s ASP 40 CO 0.03 -0.04 0.02 0.42 0.21 0.00 0.00 175.17 175.82 1f2y s THR 41 N 1.28 4.35 0.34 -1.27 -4.23 -1.26 -0.87 115.64 113.98 1f2y s THR 41 Ca 0.03 -0.47 -0.28 0.00 -1.18 0.00 0.00 61.69 59.78 1f2y s THR 41 Cb -0.14 -2.93 -0.12 0.00 1.34 0.00 0.00 72.50 70.65 1f2y s THR 41 CO -0.11 0.42 1.35 -0.81 -0.54 0.00 0.00 174.62 174.92 1f2y n PRO 42 N 1.49 2.25 -3.50 3.99 -0.04 -1.26 -4.93 135.00 132.99 1f2y n PRO 42 Ca -0.15 0.79 -0.34 0.00 -0.04 0.00 0.00 63.50 63.76 1f2y n PRO 42 Cb 0.53 -2.41 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 1f2y n PRO 42 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f2y s GLU 43 N -1.76 3.80 -0.19 0.54 2.02 -1.26 -4.14 118.70 117.70 1f2y s GLU 43 Ca 0.56 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.81 1f2y s GLU 43 Cb -0.55 -2.87 -0.21 0.00 0.10 0.00 0.00 34.13 30.59 1f2y s GLU 43 CO 0.61 0.47 0.08 0.25 0.02 0.00 0.00 175.26 176.68 1f2y n THR 44 N 0.50 1.57 -2.89 3.63 -2.24 -1.21 0.34 114.28 113.97 1f2y n THR 44 Ca -0.04 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 60.81 1f2y n THR 44 Cb 0.52 -1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 1f2y n THR 44 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1f2y n LYS 45 N -3.23 3.15 -2.20 -0.78 2.85 -1.19 -1.75 118.16 115.02 1f2y n LYS 45 Ca -0.37 -4.74 -0.41 0.00 -1.05 0.00 0.00 58.31 51.73 1f2y n LYS 45 Cb 1.04 -2.21 -0.03 0.00 -0.65 0.00 0.00 35.03 33.18 1f2y n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1f2y s HIS 46 N -3.44 3.22 -0.54 5.58 2.46 -0.36 -4.80 115.29 117.41 1f2y s HIS 46 Ca 0.48 1.28 0.04 0.00 0.47 0.00 0.00 55.06 57.33 1f2y s HIS 46 Cb 0.30 -3.61 0.21 0.00 -0.13 0.00 0.00 32.58 29.35 1f2y s HIS 46 CO -0.14 -1.84 0.99 -2.30 -2.47 0.00 0.00 174.74 168.98 1f2y n PRO 47 N 2.11 0.03 0.00 2.88 -0.02 -1.26 -1.60 135.00 137.14 1f2y n PRO 47 Ca 0.04 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1f2y n PRO 47 Cb 0.42 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1f2y n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1f2y n LYS 48 N -1.54 5.76 0.00 -0.52 5.02 -1.26 -4.94 118.16 120.68 1f2y n LYS 48 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f2y n LYS 48 Cb 0.17 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 1f2y n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1f2y n LYS 49 N -0.05 0.52 0.00 1.97 5.02 -1.14 -5.11 118.16 119.38 1f2y n LYS 49 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f2y n LYS 49 Cb 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1f2y n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f2y n GLY 50 N 2.55 2.33 3.58 0.72 0.00 -0.62 -4.75 105.19 108.99 1f2y n GLY 50 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1f2y n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f2y s VAL 51 N 0.00 4.88 0.46 1.61 1.01 -0.72 -1.23 120.40 126.42 1f2y s VAL 51 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1f2y s VAL 51 Cb 0.00 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1f2y s VAL 51 CO 0.00 -0.29 0.63 -1.61 0.00 0.00 0.00 175.10 173.83 1f2y s GLU 52 N 2.73 2.71 0.16 2.72 2.02 0.15 -4.97 118.70 124.22 1f2y s GLU 52 Ca 0.25 -1.23 -0.31 0.00 0.02 0.00 0.00 54.97 53.70 1f2y s GLU 52 Cb -0.14 -2.71 -0.09 0.00 0.10 0.00 0.00 34.13 31.29 1f2y s GLU 52 CO 0.14 -0.41 1.41 0.21 0.02 0.00 0.00 175.26 176.63 1f2y s LYS 53 N -4.45 4.31 0.00 1.61 2.47 -1.26 -2.12 119.74 120.30 1f2y s LYS 53 Ca 0.56 2.15 0.00 0.00 -1.56 0.00 0.00 55.97 57.13 1f2y s LYS 53 Cb -0.09 -3.20 0.00 0.00 -1.46 0.00 0.00 37.83 33.08 1f2y s LYS 53 CO 0.35 -0.42 0.00 0.66 0.16 0.00 0.00 175.35 176.09 1f2y n TYR 54 N 3.43 0.00 -0.02 4.03 4.01 -1.26 -4.78 117.16 122.58 1f2y n TYR 54 Ca 0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.75 1f2y n TYR 54 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.42 1f2y n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1f2y h GLY 55 N 0.00 -0.02 1.09 2.72 0.00 -1.58 0.29 103.07 105.57 1f2y h GLY 55 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.52 1f2y h GLY 55 CO 0.00 -0.14 0.56 -2.55 0.00 0.00 0.00 176.54 174.41 1f2y h PRO 56 N -0.14 1.06 -0.16 4.80 0.11 -1.86 -0.66 132.00 135.14 1f2y h PRO 56 Ca 0.10 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1f2y h PRO 56 Cb 0.30 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1f2y h PRO 56 CO -0.25 0.70 0.04 0.93 -0.21 0.00 0.00 178.00 179.21 1f2y h GLU 57 N 1.09 0.25 -0.58 1.05 3.07 -1.63 -0.99 114.58 116.85 1f2y h GLU 57 Ca 0.33 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 1f2y h GLU 57 Cb -0.03 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1f2y h GLU 57 CO -0.09 0.40 0.01 0.00 -1.40 0.00 0.00 179.01 177.93 1f2y h ALA 58 N 0.85 0.93 -0.42 3.43 0.00 -0.08 -0.47 119.26 123.49 1f2y h ALA 58 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1f2y h ALA 58 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1f2y h ALA 58 CO 0.00 0.64 0.13 0.77 0.00 0.00 0.00 179.25 180.79 1f2y h SER 59 N 0.91 0.62 -0.56 0.00 0.02 -1.07 -1.90 113.55 111.58 1f2y h SER 59 Ca 0.17 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1f2y h SER 59 Cb 0.51 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1f2y h SER 59 CO 0.03 0.67 0.05 0.00 -1.14 0.00 0.00 176.83 176.43 1f2y h ALA 60 N 0.98 0.98 0.10 3.77 0.00 -1.01 -1.75 119.26 122.33 1f2y h ALA 60 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1f2y h ALA 60 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1f2y h ALA 60 CO -0.00 0.63 -0.05 0.35 0.00 0.00 0.00 179.25 180.18 1f2y h PHE 61 N 0.91 -0.13 -0.16 0.00 3.57 -0.83 0.53 116.94 120.84 1f2y h PHE 61 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1f2y h PHE 61 Cb 0.46 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1f2y h PHE 61 CO 0.03 0.02 0.07 1.15 -2.23 0.00 0.00 178.31 177.35 1f2y h THR 62 N -0.24 1.13 -0.44 4.41 2.02 -1.34 -1.31 112.91 117.14 1f2y h THR 62 Ca -0.01 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 66.85 1f2y h THR 62 Cb 0.20 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1f2y h THR 62 CO 0.02 0.12 0.12 0.50 0.37 0.00 0.00 175.52 176.65 1f2y h LYS 63 N 0.12 0.26 0.18 6.66 3.64 -1.30 -1.38 116.57 124.75 1f2y h LYS 63 Ca 0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1f2y h LYS 63 Cb 0.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1f2y h LYS 63 CO -0.01 0.17 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.99 1f2y h LYS 64 N 0.27 -0.31 -0.28 1.90 3.64 -0.70 -1.43 116.57 119.66 1f2y h LYS 64 Ca 0.21 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1f2y h LYS 64 Cb 0.24 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1f2y h LYS 64 CO -0.25 -0.21 0.12 1.98 -2.27 0.00 0.00 179.45 178.82 1f2y h MET 65 N -0.32 0.25 0.03 1.90 4.05 -0.80 -1.31 114.93 118.73 1f2y h MET 65 Ca -0.01 -0.02 -0.21 0.00 -0.28 0.00 0.00 59.70 59.18 1f2y h MET 65 Cb 0.29 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1f2y h MET 65 CO -0.01 0.17 -0.98 -0.39 0.23 0.00 0.00 176.91 175.93 1f2y h VAL 66 N 0.26 1.57 -0.11 -5.77 -1.51 -1.29 -3.25 116.25 106.15 1f2y h VAL 66 Ca 0.12 -2.97 -0.12 0.00 -1.23 0.00 0.00 66.70 62.50 1f2y h VAL 66 Cb 0.06 2.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 1f2y h VAL 66 CO -0.10 0.86 -0.44 -0.33 -1.23 0.00 0.00 177.57 176.33 1f2y h GLU 67 N 0.06 0.27 -0.01 5.19 5.08 -1.12 -2.92 114.58 121.12 1f2y h GLU 67 Ca -0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1f2y h GLU 67 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1f2y h GLU 67 CO 0.14 0.66 -0.03 0.09 -1.00 0.00 0.00 179.01 178.88 1f2y n ASN 68 N -4.00 1.13 -4.81 1.42 5.03 -0.51 -4.95 115.26 108.57 1f2y n ASN 68 Ca -0.02 -1.30 -0.34 0.00 0.87 0.00 0.00 54.58 53.79 1f2y n ASN 68 Cb 0.51 0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 39.20 1f2y n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f2y s ALA 69 N -2.07 3.11 -0.03 5.41 0.00 -1.11 -5.00 121.76 122.08 1f2y s ALA 69 Ca 0.38 0.42 -0.14 0.00 0.00 0.00 0.00 51.96 52.62 1f2y s ALA 69 Cb 0.21 -3.14 -0.32 0.00 0.00 0.00 0.00 23.12 19.87 1f2y s ALA 69 CO 0.37 0.16 0.78 0.87 0.00 0.00 0.00 175.76 177.93 1f2y h LYS 70 N 2.36 0.42 -3.80 0.00 1.57 -1.92 -3.46 116.57 111.74 1f2y h LYS 70 Ca -0.48 -0.72 -0.40 0.00 -1.87 0.00 0.00 60.65 57.18 1f2y h LYS 70 Cb 1.18 0.27 -0.35 0.00 0.08 0.00 0.00 32.23 33.41 1f2y h LYS 70 CO 0.63 1.35 -0.76 0.15 -0.57 0.00 0.00 179.45 180.24 1f2y s LYS 71 N -2.56 0.57 -0.10 3.15 1.02 -1.26 -5.03 119.74 115.52 1f2y s LYS 71 Ca -0.14 0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 1f2y s LYS 71 Cb 0.04 -0.76 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 1f2y s LYS 71 CO 0.87 -0.18 0.04 0.42 -0.92 0.00 0.00 175.35 175.59 1f2y s ILE 72 N 1.33 4.68 0.03 2.17 -1.09 -1.26 -0.88 121.20 126.18 1f2y s ILE 72 Ca -0.05 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1f2y s ILE 72 Cb -0.13 -3.00 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1f2y s ILE 72 CO -0.02 0.60 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.62 1f2y s GLU 73 N -0.88 0.44 0.03 2.79 2.02 -0.84 -2.50 118.70 119.77 1f2y s GLU 73 Ca 0.13 -0.71 0.08 0.00 0.02 0.00 0.00 54.97 54.50 1f2y s GLU 73 Cb -0.12 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 33.97 1f2y s GLU 73 CO 0.03 0.01 -0.23 0.14 0.02 0.00 0.00 175.26 175.22 1f2y s VAL 74 N -1.46 2.36 -0.27 2.63 -7.23 0.24 -1.57 120.40 115.09 1f2y s VAL 74 Ca -0.12 -1.27 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1f2y s VAL 74 Cb -0.10 -1.93 0.09 0.00 0.56 0.00 0.00 36.38 35.00 1f2y s VAL 74 CO -0.00 0.39 0.07 -0.70 -0.31 0.00 0.00 175.10 174.55 1f2y s GLU 75 N -1.20 0.70 0.58 4.82 2.12 0.24 -0.17 118.70 125.79 1f2y s GLU 75 Ca 0.12 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 1f2y s GLU 75 Cb -0.10 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 1f2y s GLU 75 CO 0.02 -0.87 1.08 -0.06 -0.54 0.00 0.00 175.26 174.89 1f2y s PHE 76 N 1.71 2.83 0.00 5.30 0.40 -1.26 -0.61 117.98 126.35 1f2y s PHE 76 Ca 0.06 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1f2y s PHE 76 Cb -0.17 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.24 1f2y s PHE 76 CO -0.20 -1.30 0.00 -3.47 0.70 0.00 0.00 175.22 170.95 1f2y n ASP 77 N -1.78 0.00 0.11 1.36 4.64 -1.26 -4.71 116.55 114.91 1f2y n ASP 77 Ca 0.10 -0.09 0.01 0.00 -1.38 0.00 0.00 54.79 53.43 1f2y n ASP 77 Cb 0.52 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.59 1f2y n ASP 77 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1f2y h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -1.97 -3.47 116.57 112.03 1f2y h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f2y h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1f2y h LYS 78 CO 0.00 0.53 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 1f2y n GLY 79 N 1.27 1.71 3.72 3.86 0.00 -1.26 -4.96 105.19 109.54 1f2y n GLY 79 Ca -0.00 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1f2y n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f2y n GLN 80 N 0.00 1.47 -0.08 1.61 0.00 -1.26 -4.95 117.38 114.17 1f2y n GLN 80 Ca 0.00 0.55 0.07 0.00 0.00 0.00 0.00 57.00 57.62 1f2y n GLN 80 Cb 0.00 -2.51 0.11 0.00 0.00 0.00 0.00 30.24 27.84 1f2y n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1f2y n ARG 81 N -1.18 1.68 -3.78 2.61 1.74 -1.26 -4.81 116.66 111.66 1f2y n ARG 81 Ca 0.12 -1.69 -0.13 0.00 -0.77 0.00 0.00 57.85 55.39 1f2y n ARG 81 Cb 0.45 -1.31 -0.11 0.00 -1.02 0.00 0.00 32.46 30.47 1f2y n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1f2y s THR 82 N -1.16 0.01 0.53 0.55 -4.23 -1.26 -1.65 115.64 108.44 1f2y s THR 82 Ca 0.22 -0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1f2y s THR 82 Cb 0.14 -0.43 0.11 0.00 1.34 0.00 0.00 72.50 73.66 1f2y s THR 82 CO 0.20 -0.05 0.73 -0.90 -0.54 0.00 0.00 174.62 174.05 1f2y n ASP 83 N 2.64 0.54 0.32 3.99 5.68 -0.39 -4.90 116.55 124.43 1f2y n ASP 83 Ca -0.14 -1.56 0.20 0.00 -0.50 0.00 0.00 54.79 52.78 1f2y n ASP 83 Cb 0.58 -0.51 1.07 0.00 -1.14 0.00 0.00 41.12 41.11 1f2y n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1f2y h LYS 84 N 0.00 0.00 -0.41 0.11 2.10 -2.03 -0.93 116.57 115.41 1f2y h LYS 84 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1f2y h LYS 84 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1f2y h LYS 84 CO 0.21 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.33 1f2y n TYR 85 N -3.35 0.54 -0.92 0.07 4.02 -1.26 -4.91 117.16 111.34 1f2y n TYR 85 Ca -0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1f2y n TYR 85 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1f2y n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1f2y n GLY 86 N 1.29 0.48 3.75 2.72 0.00 -0.35 -5.04 105.19 108.04 1f2y n GLY 86 Ca 0.17 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1f2y n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f2y s ARG 87 N -0.97 4.36 0.46 1.61 0.52 -1.26 -4.74 118.95 118.94 1f2y s ARG 87 Ca 0.00 0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 55.73 1f2y s ARG 87 Cb 0.00 -3.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.02 1f2y s ARG 87 CO 0.00 0.28 1.33 0.20 0.02 0.00 0.00 175.30 177.13 1f2y s GLY 88 N 0.10 2.89 -0.35 -3.53 0.00 0.70 -1.26 107.32 105.87 1f2y s GLY 88 Ca 0.32 1.28 -0.06 0.00 0.00 0.00 0.00 44.72 46.26 1f2y s GLY 88 CO 0.17 1.83 0.12 1.08 0.00 0.00 0.00 173.10 176.30 1f2y s LEU 89 N -2.90 4.43 0.31 0.66 1.43 -0.66 -0.32 118.68 121.63 1f2y s LEU 89 Ca 0.63 -1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1f2y s LEU 89 Cb -0.39 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1f2y s LEU 89 CO 0.48 -0.36 0.63 0.00 0.23 0.00 0.00 176.35 177.33 1f2y s ALA 90 N 1.38 -0.49 -0.21 4.21 0.00 -1.17 -4.29 121.76 121.19 1f2y s ALA 90 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1f2y s ALA 90 Cb -0.20 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 1f2y s ALA 90 CO 0.02 -0.93 0.15 0.71 0.00 0.00 0.00 175.76 175.71 1f2y s TYR 91 N -3.41 3.39 -0.16 0.00 2.02 0.22 -1.02 117.35 118.39 1f2y s TYR 91 Ca 0.19 0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 57.17 1f2y s TYR 91 Cb -0.03 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1f2y s TYR 91 CO 0.11 0.24 -0.02 0.42 -1.57 0.00 0.00 175.55 174.72 1f2y s ILE 92 N 0.53 4.05 -0.08 2.71 -1.09 -1.26 -0.60 121.20 125.46 1f2y s ILE 92 Ca 0.09 -0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 1f2y s ILE 92 Cb -0.12 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1f2y s ILE 92 CO -0.00 0.49 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.74 1f2y s TYR 93 N 0.31 2.72 -0.24 3.97 2.02 -0.61 -0.10 117.35 125.42 1f2y s TYR 93 Ca -0.02 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1f2y s TYR 93 Cb -0.14 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1f2y s TYR 93 CO 0.02 0.03 -0.10 0.00 -1.57 0.00 0.00 175.55 173.94 1f2y s ALA 94 N -0.34 2.61 -1.48 3.71 0.00 0.13 -1.98 121.76 124.40 1f2y s ALA 94 Ca 0.03 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1f2y s ALA 94 Cb -0.13 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.46 1f2y s ALA 94 CO 0.02 -0.80 0.51 -0.25 0.00 0.00 0.00 175.76 175.25 1f2y n ASP 95 N 4.62 -1.14 0.00 0.00 10.43 -0.06 -0.60 116.55 129.79 1f2y n ASP 95 Ca -0.17 -1.01 0.00 0.00 2.57 0.00 0.00 54.79 56.19 1f2y n ASP 95 Cb 0.47 -2.98 0.00 0.00 1.84 0.00 0.00 41.12 40.45 1f2y n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1f2y n GLY 96 N -1.86 2.40 3.77 0.44 0.00 -1.26 -5.01 105.19 103.66 1f2y n GLY 96 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1f2y n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2y s LYS 97 N -0.19 3.78 -0.24 1.61 1.02 0.23 -5.03 119.74 120.92 1f2y s LYS 97 Ca 0.00 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 1f2y s LYS 97 Cb 0.00 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1f2y s LYS 97 CO 0.00 0.51 1.14 1.41 -0.92 0.00 0.00 175.35 177.49 1f2y s MET 98 N -0.26 4.16 0.26 1.68 -2.45 -1.26 0.18 119.30 121.61 1f2y s MET 98 Ca 0.10 1.36 -0.04 0.00 -1.25 0.00 0.00 55.69 55.86 1f2y s MET 98 Cb -0.12 -3.73 0.33 0.00 1.25 0.00 0.00 34.83 32.57 1f2y s MET 98 CO 0.01 -0.78 1.87 0.28 1.05 0.00 0.00 175.02 177.44 1f2y h VAL 99 N 5.60 1.23 -0.10 10.11 2.07 -0.87 -1.83 116.25 132.47 1f2y h VAL 99 Ca -0.22 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.69 1f2y h VAL 99 Cb 1.08 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1f2y h VAL 99 CO 1.00 0.28 -0.15 0.78 0.02 0.00 0.00 177.57 179.49 1f2y h ASN 100 N 1.06 -0.47 -0.16 0.57 4.21 -1.92 -1.81 115.58 117.07 1f2y h ASN 100 Ca 0.26 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.83 1f2y h ASN 100 Cb 0.09 0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1f2y h ASN 100 CO -0.03 -0.20 0.01 -0.08 -1.29 0.00 0.00 177.43 175.83 1f2y h GLU 101 N -0.20 0.28 -0.72 0.81 4.22 -1.89 -2.90 114.58 114.18 1f2y h GLU 101 Ca 0.09 -0.09 0.15 0.00 0.08 0.00 0.00 59.36 59.59 1f2y h GLU 101 Cb 0.32 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1f2y h GLU 101 CO -0.22 0.49 0.18 0.00 -2.18 0.00 0.00 179.01 177.28 1f2y h ALA 102 N 0.78 0.93 -0.21 2.92 0.00 -1.15 0.30 119.26 122.83 1f2y h ALA 102 Ca 0.05 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1f2y h ALA 102 Cb 0.36 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1f2y h ALA 102 CO 0.01 -0.32 0.13 -0.07 0.00 0.00 0.00 179.25 178.99 1f2y h LEU 103 N 0.28 0.21 -0.43 0.00 3.38 -1.22 -2.18 115.31 115.35 1f2y h LEU 103 Ca 0.40 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 1f2y h LEU 103 Cb 0.67 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1f2y h LEU 103 CO -0.49 0.16 0.02 0.58 0.09 0.00 0.00 178.44 178.80 1f2y h VAL 104 N 0.27 1.26 -0.33 1.22 2.07 -0.99 0.28 116.25 120.02 1f2y h VAL 104 Ca 0.08 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1f2y h VAL 104 Cb -0.01 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1f2y h VAL 104 CO -0.03 0.34 0.23 -0.09 0.02 0.00 0.00 177.57 178.04 1f2y h ARG 105 N 0.60 0.27 -0.02 1.57 9.65 -0.16 0.04 114.38 126.34 1f2y h ARG 105 Ca 0.13 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1f2y h ARG 105 Cb 0.46 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1f2y h ARG 105 CO 0.02 0.18 0.00 1.04 2.80 0.00 0.00 179.97 184.01 1f2y n GLN 106 N -4.48 1.45 -2.11 0.20 1.13 -0.85 -4.43 117.38 108.29 1f2y n GLN 106 Ca 0.03 -0.66 -0.09 0.00 -1.94 0.00 0.00 57.00 54.35 1f2y n GLN 106 Cb 0.20 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.07 1f2y n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f2y n GLY 107 N 1.11 0.07 1.09 1.08 0.00 0.00 -4.41 105.19 104.13 1f2y n GLY 107 Ca 0.20 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1f2y n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f2y n LEU 108 N -1.30 3.51 -3.52 0.99 4.77 0.08 -2.20 117.00 119.33 1f2y n LEU 108 Ca -0.11 -1.86 -0.12 0.00 -0.03 0.00 0.00 56.01 53.89 1f2y n LEU 108 Cb 0.56 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1f2y n LEU 108 CO 0.13 0.85 0.63 0.00 -1.33 0.00 0.00 177.39 177.67 1f2y s ALA 109 N -1.09 -1.83 0.10 -1.18 0.00 -1.17 -4.39 121.76 112.21 1f2y s ALA 109 Ca 0.39 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.63 1f2y s ALA 109 Cb 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1f2y s ALA 109 CO 0.27 -0.49 -0.01 0.15 0.00 0.00 0.00 175.76 175.69 1f2y s LYS 110 N -2.02 2.48 -0.03 0.00 1.02 -0.04 -4.46 119.74 116.69 1f2y s LYS 110 Ca -0.02 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 1f2y s LYS 110 Cb -0.01 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1f2y s LYS 110 CO -0.01 0.53 1.20 0.08 -0.92 0.00 0.00 175.35 176.23 1f2y s VAL 111 N -1.34 4.21 1.08 3.17 1.01 -1.26 -0.39 120.40 126.88 1f2y s VAL 111 Ca 0.25 1.55 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 1f2y s VAL 111 Cb -0.11 -4.00 0.23 0.00 0.00 0.00 0.00 36.38 32.50 1f2y s VAL 111 CO 0.18 0.03 1.15 0.00 0.00 0.00 0.00 175.10 176.46 1f2y s ALA 112 N 1.95 1.16 -0.25 5.51 0.00 0.01 -4.83 121.76 125.30 1f2y s ALA 112 Ca 0.57 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1f2y s ALA 112 Cb -0.26 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1f2y s ALA 112 CO 0.24 -3.04 1.69 0.00 0.00 0.00 0.00 175.76 174.65 1f2y s ALA 113 N -3.21 3.14 0.18 0.00 0.00 -1.26 -4.94 121.76 115.67 1f2y s ALA 113 Ca 0.69 0.42 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 1f2y s ALA 113 Cb -0.11 -3.91 -0.08 0.00 0.00 0.00 0.00 23.12 19.02 1f2y s ALA 113 CO 0.55 -2.17 0.78 0.08 0.00 0.00 0.00 175.76 175.00 1f2y s VAL 114 N 5.76 4.39 -0.12 0.00 1.01 -1.26 -5.01 120.40 125.16 1f2y s VAL 114 Ca 0.75 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 64.35 1f2y s VAL 114 Cb -0.24 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1f2y s VAL 114 CO 0.31 0.46 0.02 -0.31 0.00 0.00 0.00 175.10 175.59 1f2y s TYR 115 N -1.23 0.74 0.68 5.22 1.51 -1.26 -5.09 117.35 117.92 1f2y s TYR 115 Ca 0.37 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.84 1f2y s TYR 115 Cb -0.22 -0.87 0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1f2y s TYR 115 CO 0.25 -0.45 1.25 0.00 -1.11 0.00 0.00 175.55 175.50 1f2y s ALA 116 N 1.95 2.26 -1.70 3.71 0.00 -1.26 -1.64 121.76 125.07 1f2y s ALA 116 Ca 0.03 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.11 1f2y s ALA 116 Cb -0.14 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.68 1f2y s ALA 116 CO -0.07 -1.71 1.10 -0.35 0.00 0.00 0.00 175.76 174.74 1f2y n PRO 117 N -2.26 1.70 -2.34 0.00 -0.04 -1.26 -4.98 135.00 125.81 1f2y n PRO 117 Ca 0.15 -0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 1f2y n PRO 117 Cb 0.49 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1f2y n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1f2y n ASN 118 N 0.18 6.11 -0.49 3.54 3.02 -0.65 -4.05 115.26 122.92 1f2y n ASN 118 Ca 0.08 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1f2y n ASN 118 Cb 0.28 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 1f2y n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1f2y n ASN 119 N 2.82 0.00 -0.17 6.41 2.04 -1.26 -4.42 115.26 120.67 1f2y n ASN 119 Ca 0.44 -1.83 -0.01 0.00 -0.44 0.00 0.00 54.58 52.74 1f2y n ASN 119 Cb 0.32 -0.17 0.07 0.00 -2.53 0.00 0.00 39.78 37.48 1f2y n ASN 119 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1f2y h THR 120 N 6.60 0.57 -0.49 5.53 2.02 -1.98 -2.32 112.91 122.84 1f2y h THR 120 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1f2y h THR 120 Cb 1.33 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1f2y h THR 120 CO 0.00 0.02 0.00 1.41 0.37 0.00 0.00 175.52 177.32 1f2y n HIS 121 N -5.25 1.73 -0.13 3.16 8.25 -1.26 -4.48 115.22 117.25 1f2y n HIS 121 Ca 0.06 -0.60 -0.07 0.00 -0.26 0.00 0.00 57.72 56.85 1f2y n HIS 121 Cb 0.29 -0.44 0.02 0.00 1.12 0.00 0.00 29.99 30.98 1f2y n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1f2y h GLU 122 N 3.39 0.49 0.05 -0.41 4.81 -1.80 -0.25 114.58 120.86 1f2y h GLU 122 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1f2y h GLU 122 Cb 1.72 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 1f2y h GLU 122 CO 0.40 0.33 -0.13 1.96 -0.73 0.00 0.00 179.01 180.85 1f2y h GLN 123 N 0.51 -0.23 -0.19 1.92 7.50 -1.81 0.18 115.11 122.99 1f2y h GLN 123 Ca 0.17 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.38 1f2y h GLN 123 Cb 0.00 0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.54 1f2y h GLN 123 CO -0.07 -0.15 -0.10 1.25 -1.50 0.00 0.00 178.83 178.25 1f2y h HIS 124 N -0.24 -0.25 -0.49 2.96 2.76 -1.82 -0.54 115.15 117.54 1f2y h HIS 124 Ca 0.03 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1f2y h HIS 124 Cb 0.27 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1f2y h HIS 124 CO -0.16 -0.16 0.14 -0.07 -1.30 0.00 0.00 177.93 176.38 1f2y h LEU 125 N -0.09 0.67 -1.00 0.26 3.38 -0.77 -1.44 115.31 116.32 1f2y h LEU 125 Ca 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1f2y h LEU 125 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1f2y h LEU 125 CO -0.25 0.65 0.20 0.03 0.09 0.00 0.00 178.44 179.16 1f2y h ARG 126 N 0.71 0.92 -0.46 1.13 2.47 0.19 -1.36 114.38 117.99 1f2y h ARG 126 Ca 0.16 -0.17 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 1f2y h ARG 126 Cb 0.23 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1f2y h ARG 126 CO -0.01 0.79 -0.16 0.87 0.56 0.00 0.00 179.97 182.02 1f2y h LYS 127 N 0.90 0.92 -0.34 0.04 1.57 -0.06 -2.08 116.57 117.51 1f2y h LYS 127 Ca 0.20 -0.37 -0.16 0.00 -1.87 0.00 0.00 60.65 58.46 1f2y h LYS 127 Cb 0.25 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1f2y h LYS 127 CO -0.01 1.03 -0.40 0.77 -0.57 0.00 0.00 179.45 180.27 1f2y h SER 128 N 0.76 0.90 -0.76 0.86 0.02 -1.17 -2.53 113.55 111.63 1f2y h SER 128 Ca 0.11 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 1f2y h SER 128 Cb 0.72 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1f2y h SER 128 CO 0.05 1.18 0.36 -0.08 -1.14 0.00 0.00 176.83 177.21 1f2y h GLU 129 N 0.68 1.11 -0.27 3.45 4.81 -1.10 -1.44 114.58 121.82 1f2y h GLU 129 Ca 0.05 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1f2y h GLU 129 Cb 0.97 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1f2y h GLU 129 CO 0.09 0.86 0.11 0.00 -0.73 0.00 0.00 179.01 179.34 1f2y h ALA 130 N 1.30 0.35 -0.71 2.92 0.00 -1.26 -0.90 119.26 120.96 1f2y h ALA 130 Ca 0.27 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1f2y h ALA 130 Cb 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1f2y h ALA 130 CO -0.03 -0.05 0.41 0.37 0.00 0.00 0.00 179.25 179.94 1f2y h GLN 131 N 0.29 0.73 -0.10 0.00 5.75 -1.01 -0.37 115.11 120.41 1f2y h GLN 131 Ca 0.09 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 1f2y h GLN 131 Cb 0.17 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1f2y h GLN 131 CO -0.01 0.49 -0.23 0.00 -2.65 0.00 0.00 178.83 176.43 1f2y h ALA 132 N 1.36 1.43 -0.12 3.38 0.00 -1.02 -0.94 119.26 123.35 1f2y h ALA 132 Ca 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1f2y h ALA 132 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1f2y h ALA 132 CO -0.17 0.40 -0.08 0.87 0.00 0.00 0.00 179.25 180.27 1f2y h LYS 133 N 0.16 0.26 -0.71 0.00 1.57 0.25 -2.12 116.57 115.98 1f2y h LYS 133 Ca 0.03 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1f2y h LYS 133 Cb 0.50 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1f2y h LYS 133 CO 0.03 0.63 0.47 -0.22 -0.57 0.00 0.00 179.45 179.80 1f2y h LYS 134 N -0.10 0.79 -0.06 3.15 3.64 -0.73 -0.05 116.57 123.20 1f2y h LYS 134 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1f2y h LYS 134 Cb 0.57 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1f2y h LYS 134 CO 0.02 0.52 0.00 0.39 -2.27 0.00 0.00 179.45 178.12 1f2y n GLU 135 N -4.46 1.41 -3.94 1.90 1.02 -0.39 -4.93 120.64 111.25 1f2y n GLU 135 Ca 0.09 -0.60 -0.29 0.00 -0.02 0.00 0.00 57.16 56.34 1f2y n GLU 135 Cb 0.16 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1f2y n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f2y n LYS 136 N -0.21 -4.75 -2.93 3.49 4.01 -0.03 -4.94 118.16 112.79 1f2y n LYS 136 Ca 0.17 0.54 -0.40 0.00 -0.51 0.00 0.00 58.31 58.11 1f2y n LYS 136 Cb 0.23 -5.25 -0.05 0.00 -0.51 0.00 0.00 35.03 29.45 1f2y n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1f2y s LEU 137 N -7.14 4.45 0.00 -0.35 1.43 -0.85 -3.95 118.68 112.28 1f2y s LEU 137 Ca 0.48 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1f2y s LEU 137 Cb -0.25 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1f2y s LEU 137 CO 0.85 -0.01 0.00 0.59 0.23 0.00 0.00 176.35 178.02 1f2y n ASN 138 N 2.83 0.00 0.16 2.29 3.02 -1.26 0.09 115.26 122.40 1f2y n ASN 138 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.64 1f2y n ASN 138 Cb 0.50 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.30 1f2y n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1f2y h ILE 139 N 0.00 0.94 -1.00 2.41 2.04 -1.74 -2.61 117.51 117.55 1f2y h ILE 139 Ca 0.00 -0.02 -0.64 0.00 1.00 0.00 0.00 64.86 65.20 1f2y h ILE 139 Cb 0.00 0.87 -0.30 0.00 -0.74 0.00 0.00 36.82 36.66 1f2y h ILE 139 CO 0.00 0.01 0.82 0.79 0.00 0.00 0.00 178.15 179.77 1f2y n TRP 140 N -4.49 3.20 -0.22 1.37 7.02 0.11 -5.14 117.44 119.29 1f2y n TRP 140 Ca 0.01 -2.74 0.00 0.00 -1.02 0.00 0.00 57.50 53.75 1f2y n TRP 140 Cb 0.23 -1.33 0.00 0.00 -2.42 0.00 0.00 31.31 27.79 1f2y n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54