#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3f s ARG 9 N 0.00 1.01 -0.52 1.61 1.70 -0.24 -4.88 118.95 117.64 1r3f s ARG 9 Ca 0.00 -1.25 -0.22 0.00 -0.47 0.00 0.00 55.73 53.79 1r3f s ARG 9 Cb 0.00 -0.85 0.05 0.00 -0.57 0.00 0.00 34.95 33.58 1r3f s ARG 9 CO 0.00 0.16 0.78 -0.51 -1.08 0.00 0.00 175.30 174.65 1r3f s ASP 10 N -2.52 6.29 -0.07 -2.89 1.01 -1.26 -1.45 116.67 115.78 1r3f s ASP 10 Ca 0.09 -0.58 0.03 0.00 0.71 0.00 0.00 52.55 52.80 1r3f s ASP 10 Cb -0.04 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1r3f s ASP 10 CO 0.03 -1.04 -0.17 -0.51 0.21 0.00 0.00 175.17 173.68 1r3f s ILE 11 N 3.29 1.48 -0.09 0.77 1.10 -1.26 -5.04 121.20 121.45 1r3f s ILE 11 Ca 0.23 -0.69 0.01 0.00 -0.51 0.00 0.00 60.65 59.69 1r3f s ILE 11 Cb -0.15 -1.31 -0.02 0.00 0.15 0.00 0.00 42.46 41.12 1r3f s ILE 11 CO 0.16 0.43 -0.10 0.20 -2.11 0.00 0.00 174.94 173.52 1r3f s ASN 12 N 0.48 4.31 0.00 4.50 0.01 -1.26 -2.01 114.94 120.97 1r3f s ASN 12 Ca -0.15 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1r3f s ASN 12 Cb -0.16 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.23 1r3f s ASN 12 CO 0.05 0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.53 1r3f n GLY 13 N 2.77 -1.26 2.97 0.66 0.00 -0.96 -4.65 105.19 104.71 1r3f n GLY 13 Ca -0.18 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 1r3f n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r3f s VAL 14 N -1.86 1.12 -0.27 1.61 1.01 -0.08 -0.08 120.40 121.85 1r3f s VAL 14 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1r3f s VAL 14 Cb 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1r3f s VAL 14 CO 0.00 0.37 0.23 -0.22 0.00 0.00 0.00 175.10 175.48 1r3f s LEU 15 N 1.17 4.03 -0.88 3.92 1.98 0.06 -0.18 118.68 128.78 1r3f s LEU 15 Ca -0.05 0.07 -0.20 0.00 -2.89 0.00 0.00 54.13 51.07 1r3f s LEU 15 Cb -0.14 -2.20 0.11 0.00 0.66 0.00 0.00 46.19 44.62 1r3f s LEU 15 CO -0.02 -0.08 1.12 -0.76 -1.89 0.00 0.00 176.35 174.72 1r3f s LEU 16 N 1.79 4.77 0.17 -0.68 1.43 -1.26 -0.29 118.68 124.61 1r3f s LEU 16 Ca 0.09 -1.77 -0.24 0.00 -1.03 0.00 0.00 54.13 51.18 1r3f s LEU 16 Cb -0.16 -2.42 -0.08 0.00 0.03 0.00 0.00 46.19 43.56 1r3f s LEU 16 CO 0.10 -1.19 0.76 -0.22 0.23 0.00 0.00 176.35 176.04 1r3f s LEU 17 N 3.19 4.55 -0.71 1.79 2.96 -0.94 -0.89 118.68 128.63 1r3f s LEU 17 Ca 0.32 1.59 -0.20 0.00 -0.22 0.00 0.00 54.13 55.61 1r3f s LEU 17 Cb -0.07 -3.32 0.10 0.00 0.50 0.00 0.00 46.19 43.39 1r3f s LEU 17 CO -0.05 0.18 0.93 -0.62 -1.32 0.00 0.00 176.35 175.47 1r3f s ASP 18 N -1.23 6.30 0.17 3.68 -1.08 -0.05 -0.46 116.67 124.00 1r3f s ASP 18 Ca 0.37 -1.40 -0.32 0.00 -0.52 0.00 0.00 52.55 50.68 1r3f s ASP 18 Cb -0.22 -2.38 -0.10 0.00 -1.46 0.00 0.00 42.92 38.76 1r3f s ASP 18 CO 0.25 -1.25 1.60 -0.75 0.52 0.00 0.00 175.17 175.54 1r3f s LYS 19 N 3.28 4.20 0.49 4.34 2.20 0.61 -4.58 119.74 130.27 1r3f s LYS 19 Ca 0.22 2.40 -0.23 0.00 -0.36 0.00 0.00 55.97 58.00 1r3f s LYS 19 Cb -0.16 -3.17 -0.07 0.00 -1.51 0.00 0.00 37.83 32.93 1r3f s LYS 19 CO 0.04 -0.64 1.30 -2.14 -0.36 0.00 0.00 175.35 173.55 1r3f s PRO 20 N 1.24 3.52 0.20 4.03 0.02 -1.26 -2.91 135.00 139.83 1r3f s PRO 20 Ca 0.71 2.10 -0.32 0.00 0.02 0.00 0.00 61.00 63.52 1r3f s PRO 20 Cb -0.45 -2.42 -0.11 0.00 0.02 0.00 0.00 34.50 31.54 1r3f s PRO 20 CO 0.31 -0.85 1.65 -1.14 -0.33 0.00 0.00 177.00 176.65 1r3f s GLN 21 N -2.69 4.16 0.00 5.54 -0.44 -1.26 -2.47 119.66 122.51 1r3f s GLN 21 Ca 0.66 2.51 0.00 0.00 -2.50 0.00 0.00 55.36 56.02 1r3f s GLN 21 Cb -0.37 -3.10 0.00 0.00 -1.64 0.00 0.00 33.01 27.90 1r3f s GLN 21 CO 0.45 -0.68 0.00 0.41 0.50 0.00 0.00 175.29 175.97 1r3f n GLY 22 N 3.71 2.97 3.75 2.59 0.00 0.14 -5.01 105.19 113.34 1r3f n GLY 22 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1r3f n GLY 22 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1r3f s MET 23 N -0.18 4.58 0.58 1.61 1.75 -1.03 -4.74 119.30 121.87 1r3f s MET 23 Ca 0.00 1.85 -0.15 0.00 -1.25 0.00 0.00 55.69 56.13 1r3f s MET 23 Cb 0.00 -3.20 -0.05 0.00 2.84 0.00 0.00 34.83 34.42 1r3f s MET 23 CO 0.00 0.09 1.03 -1.54 -0.65 0.00 0.00 175.02 173.95 1r3f s SER 24 N -0.50 6.02 0.35 1.11 1.04 -1.26 -4.51 113.70 115.95 1r3f s SER 24 Ca 0.47 1.70 0.05 0.00 0.48 0.00 0.00 55.95 58.65 1r3f s SER 24 Cb -0.32 -2.52 0.66 0.00 0.10 0.00 0.00 66.02 63.93 1r3f s SER 24 CO 0.40 -1.00 1.93 0.28 0.98 0.00 0.00 173.24 175.83 1r3f h SER 25 N 0.44 0.52 -0.46 7.02 0.02 -1.94 -1.80 113.55 117.34 1r3f h SER 25 Ca -0.46 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.33 1r3f h SER 25 Cb 1.21 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1r3f h SER 25 CO 0.59 0.52 -0.04 -1.13 -1.14 0.00 0.00 176.83 175.62 1r3f h ASN 26 N 0.55 0.84 -0.56 3.07 -0.73 -1.96 0.62 115.58 117.42 1r3f h ASN 26 Ca 0.13 -0.33 -0.10 0.00 1.87 0.00 0.00 56.30 57.87 1r3f h ASN 26 Cb 0.20 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 1r3f h ASN 26 CO -0.00 0.97 -0.03 0.44 -0.37 0.00 0.00 177.43 178.44 1r3f h ASP 27 N 0.70 1.01 -0.57 1.15 3.32 -1.88 -0.93 116.42 119.23 1r3f h ASP 27 Ca 0.13 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1r3f h ASP 27 Cb 0.57 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1r3f h ASP 27 CO 0.03 1.07 0.27 0.00 -1.72 0.00 0.00 179.24 178.90 1r3f h ALA 28 N 1.02 0.73 -0.07 3.45 0.00 -1.14 -1.87 119.26 121.39 1r3f h ALA 28 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1r3f h ALA 28 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1r3f h ALA 28 CO 0.03 0.30 0.01 1.25 0.00 0.00 0.00 179.25 180.84 1r3f h LEU 29 N 0.77 0.00 -0.88 0.00 5.85 -0.53 -1.79 115.31 118.73 1r3f h LEU 29 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1r3f h LEU 29 Cb 0.12 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1r3f h LEU 29 CO -0.02 0.01 0.57 1.56 -0.34 0.00 0.00 178.44 180.22 1r3f h GLN 30 N 0.04 1.11 -0.49 1.25 1.08 -0.96 0.29 115.11 117.42 1r3f h GLN 30 Ca 0.03 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1r3f h GLN 30 Cb 0.02 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 1r3f h GLN 30 CO -0.04 0.73 0.12 0.87 -0.95 0.00 0.00 178.83 179.56 1r3f h LYS 31 N 1.14 0.79 -0.37 1.46 1.57 -1.13 -1.75 116.57 118.28 1r3f h LYS 31 Ca 0.34 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1r3f h LYS 31 Cb -0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1r3f h LYS 31 CO -0.10 0.77 -0.14 0.28 -0.57 0.00 0.00 179.45 179.69 1r3f h VAL 32 N 0.68 1.28 -1.00 0.50 2.07 -0.95 -1.31 116.25 117.52 1r3f h VAL 32 Ca 0.15 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1r3f h VAL 32 Cb 0.33 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1r3f h VAL 32 CO 0.00 0.41 0.65 0.50 0.02 0.00 0.00 177.57 179.16 1r3f h LYS 33 N 0.55 1.21 -0.24 1.57 3.64 -0.83 -1.26 116.57 121.21 1r3f h LYS 33 Ca 0.09 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 1r3f h LYS 33 Cb 0.67 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1r3f h LYS 33 CO 0.05 0.80 -0.38 -0.09 -2.27 0.00 0.00 179.45 177.56 1r3f h ARG 34 N 1.25 0.68 -0.70 1.90 2.43 -1.17 0.02 114.38 118.79 1r3f h ARG 34 Ca 0.40 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1r3f h ARG 34 Cb 0.02 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1r3f h ARG 34 CO -0.13 1.03 0.42 0.82 -1.51 0.00 0.00 179.97 180.60 1r3f h ILE 35 N 0.39 1.20 -0.01 1.20 2.04 -0.82 -1.40 117.51 120.11 1r3f h ILE 35 Ca 0.02 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1r3f h ILE 35 Cb 0.97 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1r3f h ILE 35 CO 0.09 0.21 -0.14 -1.22 0.00 0.00 0.00 178.15 177.09 1r3f n TYR 36 N -4.40 0.00 -4.16 1.37 4.01 -0.51 -4.94 117.16 108.54 1r3f n TYR 36 Ca 0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.46 1r3f n TYR 36 Cb 0.07 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1r3f n TYR 36 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1r3f n ASN 37 N -0.10 -3.55 -4.75 7.72 5.15 -0.10 -4.83 115.26 114.80 1r3f n ASN 37 Ca 0.15 -0.97 -0.40 0.00 -0.60 0.00 0.00 54.58 52.77 1r3f n ASN 37 Cb 0.38 -2.99 -0.06 0.00 -0.53 0.00 0.00 39.78 36.58 1r3f n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r3f s ALA 38 N -3.31 3.34 -0.68 5.20 0.00 -0.62 -1.08 121.76 124.62 1r3f s ALA 38 Ca 0.71 0.64 0.26 0.00 0.00 0.00 0.00 51.96 53.57 1r3f s ALA 38 Cb -0.38 -3.22 0.75 0.00 0.00 0.00 0.00 23.12 20.26 1r3f s ALA 38 CO 0.91 0.18 1.75 -0.91 0.00 0.00 0.00 175.76 177.69 1r3f h ASN 39 N 4.15 0.00 -3.41 0.00 2.35 -1.59 -3.45 115.58 113.64 1r3f h ASN 39 Ca -0.45 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.05 1r3f h ASN 39 Cb 1.20 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.25 1r3f h ASN 39 CO 0.68 0.00 -0.61 -0.60 -1.65 0.00 0.00 177.43 175.25 1r3f s ARG 40 N -3.12 0.08 -0.07 0.81 3.52 -1.26 -5.02 118.95 113.88 1r3f s ARG 40 Ca 0.10 0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 55.79 1r3f s ARG 40 Cb 0.11 -0.19 0.06 0.00 -1.56 0.00 0.00 34.95 33.37 1r3f s ARG 40 CO 0.60 -0.18 0.64 0.00 -0.81 0.00 0.00 175.30 175.55 1r3f s ALA 41 N 1.26 -1.64 0.12 6.12 0.00 -1.26 -0.91 121.76 125.45 1r3f s ALA 41 Ca -0.08 1.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.90 1r3f s ALA 41 Cb -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 22.95 1r3f s ALA 41 CO -0.06 -0.35 0.88 0.20 0.00 0.00 0.00 175.76 176.44 1r3f s GLY 42 N -1.02 -0.31 0.57 0.00 0.00 -0.60 -5.01 107.32 100.95 1r3f s GLY 42 Ca -0.10 0.35 0.05 0.00 0.00 0.00 0.00 44.72 45.02 1r3f s GLY 42 CO 0.08 0.10 0.44 -2.38 0.00 0.00 0.00 173.10 171.34 1r3f s HIS 43 N -3.35 1.45 -0.28 1.90 -3.43 -1.26 -0.40 115.29 109.93 1r3f s HIS 43 Ca 0.09 -0.88 0.08 0.00 -0.80 0.00 0.00 55.06 53.55 1r3f s HIS 43 Cb -0.02 -1.90 0.45 0.00 -1.43 0.00 0.00 32.58 29.68 1r3f s HIS 43 CO -0.02 -0.59 1.28 0.25 -2.00 0.00 0.00 174.74 173.67 1r3f n THR 44 N -1.84 2.46 0.00 -5.38 -2.24 -1.25 -4.88 114.28 101.14 1r3f n THR 44 Ca -0.01 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.20 1r3f n THR 44 Cb 0.64 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1r3f n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r3f n GLY 45 N -0.94 3.80 3.73 3.38 0.00 -1.26 -4.02 105.19 109.89 1r3f n GLY 45 Ca 0.34 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1r3f n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3f s ALA 46 N 0.00 3.69 -0.08 4.61 0.00 -1.26 -5.00 121.76 123.72 1r3f s ALA 46 Ca 0.00 1.35 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1r3f s ALA 46 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1r3f s ALA 46 CO 0.00 -0.76 0.31 -1.17 0.00 0.00 0.00 175.76 174.13 1r3f s LEU 47 N 0.29 4.38 -0.21 0.00 2.96 -1.26 -5.00 118.68 119.84 1r3f s LEU 47 Ca 0.64 0.70 -0.42 0.00 -0.22 0.00 0.00 54.13 54.83 1r3f s LEU 47 Cb -0.43 -2.40 -0.18 0.00 0.50 0.00 0.00 46.19 43.68 1r3f s LEU 47 CO 0.38 0.27 1.44 -0.67 -1.32 0.00 0.00 176.35 176.45 1r3f n ASP 48 N 2.46 1.22 -0.27 3.68 2.03 -1.26 -4.40 116.55 120.02 1r3f n ASP 48 Ca -0.15 1.14 0.22 0.00 0.52 0.00 0.00 54.79 56.53 1r3f n ASP 48 Cb 0.53 -1.01 0.54 0.00 -0.72 0.00 0.00 41.12 40.46 1r3f n ASP 48 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1r3f h PRO 49 N 4.88 0.33 0.00 -0.67 0.11 -1.90 0.63 132.00 135.39 1r3f h PRO 49 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1r3f h PRO 49 Cb 1.37 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1r3f h PRO 49 CO 0.85 0.22 0.00 1.28 -0.21 0.00 0.00 178.00 180.14 1r3f n LEU 50 N -4.50 0.02 -4.95 2.35 4.77 -1.26 0.28 117.00 113.71 1r3f n LEU 50 Ca 0.21 0.50 -0.23 0.00 -0.03 0.00 0.00 56.01 56.46 1r3f n LEU 50 Cb 0.81 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1r3f n LEU 50 CO 0.30 -0.03 0.36 0.00 -1.33 0.00 0.00 177.39 176.69 1r3f s ALA 51 N -3.00 3.68 0.45 -1.18 0.00 0.21 -4.52 121.76 117.40 1r3f s ALA 51 Ca 0.13 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1r3f s ALA 51 Cb 0.18 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1r3f s ALA 51 CO 0.50 -0.57 0.03 0.95 0.00 0.00 0.00 175.76 176.68 1r3f s THR 52 N -2.70 1.31 0.00 0.00 -4.23 -0.85 -4.26 115.64 104.90 1r3f s THR 52 Ca 0.52 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1r3f s THR 52 Cb -0.10 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1r3f s THR 52 CO 0.40 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1r3f n GLY 53 N -1.06 -0.45 3.68 3.99 0.00 -1.15 -0.89 105.19 109.31 1r3f n GLY 53 Ca -0.11 -2.25 -0.46 0.00 0.00 0.00 0.00 46.02 43.19 1r3f n GLY 53 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1r3f n MET 54 N -0.32 2.40 -3.69 1.61 0.00 -0.14 -0.28 117.12 116.70 1r3f n MET 54 Ca 0.00 0.88 -0.30 0.00 -0.00 0.00 0.00 57.70 58.29 1r3f n MET 54 Cb 0.00 -2.76 -0.14 0.00 0.00 0.00 0.00 33.22 30.32 1r3f n MET 54 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1r3f s LEU 55 N 4.21 2.25 0.08 -0.89 2.96 0.40 -4.87 118.68 122.82 1r3f s LEU 55 Ca 0.92 -2.04 -0.31 0.00 -0.22 0.00 0.00 54.13 52.48 1r3f s LEU 55 Cb -0.61 -0.87 -0.08 0.00 0.50 0.00 0.00 46.19 45.13 1r3f s LEU 55 CO 0.49 -0.35 1.52 -2.84 -1.32 0.00 0.00 176.35 173.84 1r3f s PRO 56 N 1.12 4.25 -0.27 0.98 0.02 -1.26 -2.21 135.00 137.62 1r3f s PRO 56 Ca 0.13 2.20 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 1r3f s PRO 56 Cb -0.20 -3.43 0.02 0.00 0.02 0.00 0.00 34.50 30.91 1r3f s PRO 56 CO -0.13 -0.61 0.02 0.42 -0.33 0.00 0.00 177.00 176.37 1r3f s ILE 57 N 1.94 3.45 0.04 2.83 -1.09 0.60 -3.83 121.20 125.15 1r3f s ILE 57 Ca 0.69 -0.86 -0.24 0.00 -2.23 0.00 0.00 60.65 58.01 1r3f s ILE 57 Cb -0.38 -2.78 -0.06 0.00 -1.58 0.00 0.00 42.46 37.67 1r3f s ILE 57 CO 0.30 0.12 0.72 0.00 -1.23 0.00 0.00 174.94 174.86 1r3f s LEU 59 N -0.17 2.29 0.00 0.00 1.43 0.89 -1.55 118.68 121.56 1r3f s LEU 59 Ca 0.36 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1r3f s LEU 59 Cb -0.20 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1r3f s LEU 59 CO 0.22 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.70 1r3f n GLY 60 N 2.02 3.30 0.32 -3.19 0.00 -0.09 -2.27 105.19 105.28 1r3f n GLY 60 Ca -0.16 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 45.87 1r3f n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r3f h GLU 61 N 0.00 0.00 -0.23 1.61 4.39 -1.92 -1.92 114.58 116.51 1r3f h GLU 61 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1r3f h GLU 61 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1r3f h GLU 61 CO 0.00 0.00 0.19 0.00 -1.16 0.00 0.00 179.01 178.04 1r3f h ALA 62 N 1.89 2.06 0.00 3.43 0.00 -1.67 -1.65 119.26 123.32 1r3f h ALA 62 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r3f h ALA 62 Cb 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1r3f h ALA 62 CO -0.00 -0.31 -0.14 1.79 0.00 0.00 0.00 179.25 180.60 1r3f h THR 63 N 0.00 1.01 0.00 0.00 1.35 -1.52 -2.08 112.91 111.67 1r3f h THR 63 Ca 0.11 -0.48 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1r3f h THR 63 Cb 0.49 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1r3f h THR 63 CO -0.00 0.13 -0.03 0.11 -0.25 0.00 0.00 175.52 175.48 1r3f h LYS 64 N 0.00 0.00 -0.23 4.72 1.57 -1.51 -2.58 116.57 118.55 1r3f h LYS 64 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r3f h LYS 64 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1r3f h LYS 64 CO 0.02 0.03 -0.00 1.19 -0.57 0.00 0.00 179.45 180.12 1r3f n PHE 65 N -3.55 0.83 -0.20 -1.35 3.72 -0.78 -4.66 117.46 111.46 1r3f n PHE 65 Ca -0.02 -0.90 0.04 0.00 -0.05 0.00 0.00 57.45 56.51 1r3f n PHE 65 Cb 0.13 -0.30 0.30 0.00 -0.94 0.00 0.00 39.48 38.67 1r3f n PHE 65 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1r3f h SER 66 N 1.58 0.77 -0.76 4.37 0.02 -1.47 -2.80 113.55 115.27 1r3f h SER 66 Ca 0.00 -0.01 0.19 0.00 -0.84 0.00 0.00 61.79 61.14 1r3f h SER 66 Cb 1.40 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 1r3f h SER 66 CO 0.20 0.53 0.53 0.06 -1.14 0.00 0.00 176.83 177.00 1r3f h GLN 67 N 0.89 0.16 0.00 3.45 3.07 -1.83 -0.58 115.11 120.26 1r3f h GLN 67 Ca 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1r3f h GLN 67 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.60 1r3f h GLN 67 CO -0.09 0.11 0.00 1.88 0.09 0.00 0.00 178.83 180.82 1r3f h TYR 68 N 0.16 0.00 0.00 0.06 0.05 -1.72 -2.80 116.97 112.73 1r3f h TYR 68 Ca 0.37 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.82 1r3f h TYR 68 Cb 1.22 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.90 1r3f h TYR 68 CO -0.00 0.00 -2.01 1.28 -1.05 0.00 0.00 178.16 176.38 1r3f n LEU 69 N -2.33 0.65 -0.34 3.88 4.77 -0.25 -3.90 117.00 119.48 1r3f n LEU 69 Ca 0.02 0.23 0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1r3f n LEU 69 Cb 0.27 0.23 0.14 0.00 -2.33 0.00 0.00 43.42 41.73 1r3f n LEU 69 CO 0.22 0.46 1.23 0.25 -1.33 0.00 0.00 177.39 178.23 1r3f h LEU 70 N 0.00 0.96 -2.68 2.23 6.46 -1.27 -1.38 115.31 119.63 1r3f h LEU 70 Ca -0.40 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 1r3f h LEU 70 Cb 2.11 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.83 1r3f h LEU 70 CO 0.06 0.63 0.00 0.47 -0.62 0.00 0.00 178.44 178.98 1r3f n ASP 71 N -4.54 4.13 -4.70 1.25 8.00 -1.18 -4.87 116.55 114.64 1r3f n ASP 71 Ca 0.13 -2.51 -0.25 0.00 0.71 0.00 0.00 54.79 52.87 1r3f n ASP 71 Cb 0.14 -0.57 0.10 0.00 -0.02 0.00 0.00 41.12 40.78 1r3f n ASP 71 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1r3f s SER 72 N -0.70 4.38 0.61 -2.24 0.15 -0.52 -4.56 113.70 110.82 1r3f s SER 72 Ca 0.40 0.13 -0.10 0.00 0.70 0.00 0.00 55.95 57.08 1r3f s SER 72 Cb 0.28 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.96 1r3f s SER 72 CO 0.16 -1.86 0.99 1.51 1.20 0.00 0.00 173.24 175.24 1r3f s ASP 73 N -4.65 6.06 0.04 5.45 1.47 -1.26 -3.35 116.67 120.43 1r3f s ASP 73 Ca 0.64 1.24 -0.01 0.00 1.18 0.00 0.00 52.55 55.61 1r3f s ASP 73 Cb -0.08 -2.29 -0.03 0.00 -0.34 0.00 0.00 42.92 40.18 1r3f s ASP 73 CO 0.46 -0.91 -0.02 -0.54 0.68 0.00 0.00 175.17 174.83 1r3f s LYS 74 N -5.13 0.49 -0.05 2.11 3.01 -0.29 -0.51 119.74 119.37 1r3f s LYS 74 Ca 0.54 -0.95 0.03 0.00 -1.01 0.00 0.00 55.97 54.58 1r3f s LYS 74 Cb -0.11 0.17 0.01 0.00 -1.01 0.00 0.00 37.83 36.89 1r3f s LYS 74 CO 0.52 -0.09 -0.13 0.50 0.51 0.00 0.00 175.35 176.66 1r3f s ARG 75 N -2.87 1.58 0.12 1.68 3.52 -0.35 -0.59 118.95 122.04 1r3f s ARG 75 Ca -0.03 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.21 1r3f s ARG 75 Cb 0.00 -1.34 -0.04 0.00 -1.56 0.00 0.00 34.95 32.01 1r3f s ARG 75 CO -0.06 0.08 -0.16 0.71 -0.81 0.00 0.00 175.30 175.06 1r3f s TYR 76 N 0.47 1.53 -0.15 5.12 1.51 0.83 -0.18 117.35 126.48 1r3f s TYR 76 Ca -0.11 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.43 1r3f s TYR 76 Cb -0.14 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1r3f s TYR 76 CO 0.03 0.19 -0.08 0.50 -1.11 0.00 0.00 175.55 175.08 1r3f s ARG 77 N -2.46 3.50 0.01 -0.62 6.06 0.14 -0.52 118.95 125.05 1r3f s ARG 77 Ca 0.09 -0.61 0.02 0.00 -2.50 0.00 0.00 55.73 52.73 1r3f s ARG 77 Cb -0.06 -2.81 -0.01 0.00 0.06 0.00 0.00 34.95 32.13 1r3f s ARG 77 CO 0.04 0.16 -0.08 0.54 -2.50 0.00 0.00 175.30 173.46 1r3f s VAL 78 N 0.53 0.62 -0.10 7.11 0.11 0.28 -1.42 120.40 127.53 1r3f s VAL 78 Ca -0.06 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 1r3f s VAL 78 Cb -0.15 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1r3f s VAL 78 CO 0.03 0.07 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.05 1r3f s ILE 79 N -0.40 1.77 0.05 7.04 1.01 -0.52 -0.66 121.20 129.49 1r3f s ILE 79 Ca 0.01 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.90 1r3f s ILE 79 Cb -0.04 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1r3f s ILE 79 CO -0.00 0.50 -0.18 0.00 0.00 0.00 0.00 174.94 175.25 1r3f s ALA 80 N 0.63 2.60 -0.27 9.38 0.00 0.11 -0.92 121.76 133.29 1r3f s ALA 80 Ca -0.13 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 1r3f s ALA 80 Cb -0.16 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1r3f s ALA 80 CO 0.04 0.57 0.35 0.50 0.00 0.00 0.00 175.76 177.22 1r3f s ARG 81 N -1.51 3.99 0.26 0.00 6.06 0.22 -1.48 118.95 126.48 1r3f s ARG 81 Ca 0.15 -0.02 -0.09 0.00 -2.50 0.00 0.00 55.73 53.26 1r3f s ARG 81 Cb -0.10 -3.66 -0.07 0.00 0.06 0.00 0.00 34.95 31.17 1r3f s ARG 81 CO 0.06 -0.27 0.58 -0.51 -2.50 0.00 0.00 175.30 172.65 1r3f s LEU 82 N 2.03 4.12 0.00 -0.88 1.43 0.21 -2.13 118.68 123.45 1r3f s LEU 82 Ca 0.14 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1r3f s LEU 82 Cb -0.16 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1r3f s LEU 82 CO 0.10 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.16 1r3f n GLY 83 N -0.38 1.28 2.84 -3.19 0.00 0.03 -4.79 105.19 100.97 1r3f n GLY 83 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1r3f n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r3f s GLN 84 N -0.64 0.65 -0.13 1.61 -0.21 -1.25 -1.09 119.66 118.61 1r3f s GLN 84 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 55.36 55.33 1r3f s GLN 84 Cb 0.00 -0.82 -0.04 0.00 1.00 0.00 0.00 33.01 33.16 1r3f s GLN 84 CO 0.00 -0.17 0.05 0.50 -2.12 0.00 0.00 175.29 173.55 1r3f s ARG 85 N 1.30 3.43 0.37 2.91 3.52 -0.04 -3.15 118.95 127.29 1r3f s ARG 85 Ca -0.05 -0.33 0.08 0.00 -0.13 0.00 0.00 55.73 55.30 1r3f s ARG 85 Cb -0.13 -3.01 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 1r3f s ARG 85 CO -0.02 0.56 0.02 -0.08 -0.81 0.00 0.00 175.30 174.97 1r3f s THR 86 N -0.46 2.40 -0.22 4.11 -1.32 -1.26 -1.17 115.64 117.72 1r3f s THR 86 Ca 0.09 -1.97 -0.01 0.00 -1.21 0.00 0.00 61.69 58.59 1r3f s THR 86 Cb -0.12 -2.84 0.10 0.00 -1.51 0.00 0.00 72.50 68.13 1r3f s THR 86 CO 0.02 -0.13 2.19 -0.90 -2.21 0.00 0.00 174.62 173.59 1r3f n ASP 87 N -0.98 6.06 0.00 8.08 5.68 -1.24 -2.89 116.55 131.27 1r3f n ASP 87 Ca -0.04 -2.85 0.00 0.00 -0.50 0.00 0.00 54.79 51.40 1r3f n ASP 87 Cb 0.64 -1.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 1r3f n ASP 87 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1r3f n THR 88 N 0.88 0.00 -1.18 2.12 -2.24 -1.26 -4.98 114.28 107.62 1r3f n THR 88 Ca 0.24 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.96 1r3f n THR 88 Cb 0.58 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1r3f n THR 88 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1r3f n SER 89 N 0.00 -4.05 -3.99 3.42 7.64 -1.14 -5.00 113.62 110.50 1r3f n SER 89 Ca 0.00 0.16 -0.10 0.00 1.01 0.00 0.00 58.87 59.94 1r3f n SER 89 Cb 0.00 -2.10 -0.07 0.00 -1.01 0.00 0.00 64.21 61.03 1r3f n SER 89 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1r3f s ASP 90 N -2.70 0.04 0.22 6.43 3.84 -1.26 -0.78 116.67 122.47 1r3f s ASP 90 Ca 0.00 -0.93 -0.14 0.00 -0.00 0.00 0.00 52.55 51.48 1r3f s ASP 90 Cb 0.00 0.45 0.27 0.00 -1.38 0.00 0.00 42.92 42.26 1r3f s ASP 90 CO 0.00 -0.91 1.60 0.00 -0.00 0.00 0.00 175.17 175.85 1r3f h ALA 91 N 2.52 0.38 -1.55 2.11 0.00 -0.52 -3.38 119.26 118.84 1r3f h ALA 91 Ca -0.31 0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.33 1r3f h ALA 91 Cb 1.23 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 1r3f h ALA 91 CO 0.47 -0.47 1.18 -0.51 0.00 0.00 0.00 179.25 179.93 1r3f s ASP 92 N -5.23 5.86 0.00 0.00 1.11 -1.26 -4.77 116.67 112.38 1r3f s ASP 92 Ca -0.14 0.26 0.00 0.00 0.18 0.00 0.00 52.55 52.85 1r3f s ASP 92 Cb 0.21 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.65 1r3f s ASP 92 CO 0.74 -1.93 0.00 0.61 1.18 0.00 0.00 175.17 175.77 1r3f n GLY 93 N 5.42 3.84 3.89 0.21 0.00 -1.26 -4.89 105.19 112.39 1r3f n GLY 93 Ca 0.14 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1r3f n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r3f s GLN 94 N -2.56 3.63 0.30 1.61 -1.52 -1.26 -4.91 119.66 114.94 1r3f s GLN 94 Ca 0.00 0.47 -0.29 0.00 -1.95 0.00 0.00 55.36 53.59 1r3f s GLN 94 Cb 0.00 -2.26 -0.10 0.00 -0.22 0.00 0.00 33.01 30.43 1r3f s GLN 94 CO 0.00 -0.30 1.17 0.42 -0.25 0.00 0.00 175.29 176.33 1r3f s ILE 95 N -2.82 3.20 -0.05 1.08 1.09 -1.26 -3.60 121.20 118.84 1r3f s ILE 95 Ca 0.51 1.20 0.09 0.00 -1.10 0.00 0.00 60.65 61.35 1r3f s ILE 95 Cb -0.10 -3.76 -0.14 0.00 -1.06 0.00 0.00 42.46 37.40 1r3f s ILE 95 CO 0.45 0.28 0.22 0.55 -0.10 0.00 0.00 174.94 176.33 1r3f n VAL 96 N 1.00 0.00 -3.55 2.92 3.14 -0.32 -4.93 118.33 116.59 1r3f n VAL 96 Ca -0.00 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1r3f n VAL 96 Cb 0.44 0.36 -0.04 0.00 -1.06 0.00 0.00 33.84 33.54 1r3f n VAL 96 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1r3f s GLU 97 N -2.55 0.53 -0.11 1.45 2.12 -1.14 -5.01 118.70 113.99 1r3f s GLU 97 Ca -0.03 1.28 0.02 0.00 0.36 0.00 0.00 54.97 56.61 1r3f s GLU 97 Cb 0.06 0.77 -0.01 0.00 0.26 0.00 0.00 34.13 35.21 1r3f s GLU 97 CO 0.38 -0.23 -0.18 -2.00 -0.54 0.00 0.00 175.26 172.68 1r3f s GLU 98 N 2.83 3.12 0.06 4.30 2.12 -1.26 -0.86 118.70 129.01 1r3f s GLU 98 Ca -0.02 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1r3f s GLU 98 Cb -0.11 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1r3f s GLU 98 CO -0.19 0.25 -0.05 1.03 -0.54 0.00 0.00 175.26 175.76 1r3f s ARG 99 N 0.22 0.62 0.41 4.30 3.00 -0.25 -5.02 118.95 122.23 1r3f s ARG 99 Ca -0.12 -1.12 -0.24 0.00 0.00 0.00 0.00 55.73 54.25 1r3f s ARG 99 Cb -0.16 0.02 -0.08 0.00 0.00 0.00 0.00 34.95 34.73 1r3f s ARG 99 CO 0.06 -0.06 1.15 -1.25 0.00 0.00 0.00 175.30 175.20 1r3f s PRO 100 N -3.31 4.01 -0.47 3.54 0.04 -1.26 -4.40 135.00 133.14 1r3f s PRO 100 Ca 0.03 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 1r3f s PRO 100 Cb 0.03 -2.60 0.03 0.00 0.04 0.00 0.00 34.50 32.00 1r3f s PRO 100 CO -0.06 -0.34 0.74 0.08 0.04 0.00 0.00 177.00 177.46 1r3f s VAL 101 N -1.48 4.70 0.00 -0.36 1.01 -1.26 -4.59 120.40 118.41 1r3f s VAL 101 Ca 0.59 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1r3f s VAL 101 Cb -0.29 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1r3f s VAL 101 CO 0.36 -0.75 0.24 0.35 0.00 0.00 0.00 175.10 175.30 1r3f n THR 102 N 5.99 0.00 -1.49 3.92 -2.24 -1.26 -5.08 114.28 114.12 1r3f n THR 102 Ca -0.00 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 1r3f n THR 102 Cb 0.48 1.30 0.09 0.00 -2.10 0.00 0.00 70.33 70.09 1r3f n THR 102 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1r3f s PHE 103 N -0.13 2.12 0.44 4.78 -0.12 -1.26 -5.03 117.98 118.77 1r3f s PHE 103 Ca 0.00 1.59 0.00 0.00 -0.05 0.00 0.00 56.93 58.47 1r3f s PHE 103 Cb 0.00 -3.44 -0.01 0.00 -0.63 0.00 0.00 43.02 38.94 1r3f s PHE 103 CO 0.00 -2.51 0.66 -1.54 -0.05 0.00 0.00 175.22 171.78 1r3f s SER 104 N -2.06 5.89 0.27 1.98 1.04 -1.26 -4.94 113.70 114.62 1r3f s SER 104 Ca 0.74 0.31 -0.03 0.00 0.48 0.00 0.00 55.95 57.45 1r3f s SER 104 Cb -0.28 -1.60 0.38 0.00 0.10 0.00 0.00 66.02 64.62 1r3f s SER 104 CO 0.44 -0.65 1.92 0.00 0.98 0.00 0.00 173.24 175.93 1r3f h ALA 105 N 0.44 1.38 -0.20 5.32 0.00 -1.99 -0.04 119.26 124.17 1r3f h ALA 105 Ca -0.46 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 1r3f h ALA 105 Cb 1.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1r3f h ALA 105 CO 0.58 0.53 -0.37 1.05 0.00 0.00 0.00 179.25 181.04 1r3f h GLU 106 N 1.21 0.43 -0.23 0.00 4.11 -1.99 -1.42 114.58 116.68 1r3f h GLU 106 Ca 0.38 -0.20 -0.12 0.00 0.07 0.00 0.00 59.36 59.49 1r3f h GLU 106 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1r3f h GLU 106 CO -0.11 0.74 -0.35 1.96 0.07 0.00 0.00 179.01 181.32 1r3f h GLN 107 N 0.36 0.50 -0.13 1.06 4.20 -1.67 -1.86 115.11 117.57 1r3f h GLN 107 Ca 0.04 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1r3f h GLN 107 Cb 0.82 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1r3f h GLN 107 CO 0.07 0.78 0.00 1.25 -0.67 0.00 0.00 178.83 180.26 1r3f h LEU 108 N 0.42 0.23 -0.86 1.46 5.85 -0.64 -0.24 115.31 121.53 1r3f h LEU 108 Ca 0.05 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1r3f h LEU 108 Cb 0.81 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1r3f h LEU 108 CO 0.07 0.47 0.55 0.00 -0.34 0.00 0.00 178.44 179.19 1r3f h ALA 109 N 0.76 1.14 -0.28 1.25 0.00 -1.16 0.07 119.26 121.04 1r3f h ALA 109 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1r3f h ALA 109 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1r3f h ALA 109 CO 0.01 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1r3f h ALA 110 N 1.36 0.38 -0.60 0.00 0.00 -1.18 -1.98 119.26 117.25 1r3f h ALA 110 Ca 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1r3f h ALA 110 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1r3f h ALA 110 CO -0.13 0.13 0.35 0.00 0.00 0.00 0.00 179.25 179.60 1r3f h ALA 111 N 0.82 0.76 -0.61 0.00 0.00 -0.57 -2.53 119.26 117.15 1r3f h ALA 111 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1r3f h ALA 111 Cb 0.44 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1r3f h ALA 111 CO 0.02 0.26 0.27 -0.07 0.00 0.00 0.00 179.25 179.73 1r3f h LEU 112 N 0.81 0.78 -1.97 0.00 3.38 -0.90 -2.38 115.31 115.03 1r3f h LEU 112 Ca 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1r3f h LEU 112 Cb 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1r3f h LEU 112 CO -0.04 0.68 -0.11 -0.78 0.09 0.00 0.00 178.44 178.29 1r3f h ASP 113 N 0.86 0.00 0.64 -0.43 3.58 -0.92 -1.52 116.42 118.64 1r3f h ASP 113 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1r3f h ASP 113 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1r3f h ASP 113 CO -0.02 0.11 0.00 0.35 -2.88 0.00 0.00 179.24 176.79 1r3f n THR 114 N -3.68 0.49 -0.25 2.25 -2.24 -0.90 -2.45 114.28 107.52 1r3f n THR 114 Ca -0.02 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 1r3f n THR 114 Cb 0.22 -0.76 0.22 0.00 -2.10 0.00 0.00 70.33 67.91 1r3f n THR 114 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1r3f n PHE 115 N -1.44 0.67 -4.03 4.78 3.72 -0.57 -4.96 117.46 115.62 1r3f n PHE 115 Ca 0.06 -0.50 -0.36 0.00 -0.05 0.00 0.00 57.45 56.61 1r3f n PHE 115 Cb 0.23 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 1r3f n PHE 115 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1r3f s ARG 116 N -1.00 3.28 1.40 -1.08 0.52 -1.02 -4.65 118.95 116.40 1r3f s ARG 116 Ca 0.34 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 1r3f s ARG 116 Cb 0.17 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1r3f s ARG 116 CO 0.23 0.73 0.00 0.41 0.02 0.00 0.00 175.30 176.69 1r3f n GLY 117 N 1.82 -1.35 3.68 -3.53 0.00 -0.02 -4.81 105.19 100.97 1r3f n GLY 117 Ca -0.18 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1r3f n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r3f s ASP 118 N -4.00 6.96 0.25 1.61 1.01 -1.26 -1.16 116.67 120.08 1r3f s ASP 118 Ca 0.00 1.85 0.01 0.00 0.71 0.00 0.00 52.55 55.12 1r3f s ASP 118 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1r3f s ASP 118 CO 0.00 -0.68 0.15 0.27 0.21 0.00 0.00 175.17 175.12 1r3f s ILE 119 N 2.73 0.18 0.04 0.77 -4.36 -0.30 -4.99 121.20 115.26 1r3f s ILE 119 Ca 0.58 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 59.04 1r3f s ILE 119 Cb -0.25 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1r3f s ILE 119 CO 0.21 0.00 -0.22 -1.61 0.24 0.00 0.00 174.94 173.56 1r3f s GLU 120 N -3.96 1.47 0.13 0.37 2.02 -1.26 -3.64 118.70 113.83 1r3f s GLU 120 Ca 0.38 -0.96 0.06 0.00 0.02 0.00 0.00 54.97 54.48 1r3f s GLU 120 Cb 0.06 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 1r3f s GLU 120 CO 0.16 0.41 -0.14 -0.65 0.02 0.00 0.00 175.26 175.05 1r3f s GLN 121 N -1.15 1.07 -0.50 1.61 -0.21 -1.26 -5.09 119.66 114.12 1r3f s GLN 121 Ca 0.08 -1.29 0.07 0.00 0.02 0.00 0.00 55.36 54.24 1r3f s GLN 121 Cb -0.09 -0.95 0.20 0.00 1.00 0.00 0.00 33.01 33.17 1r3f s GLN 121 CO 0.02 0.18 0.73 0.44 -2.12 0.00 0.00 175.29 174.54 1r3f n ILE 122 N 0.41 -0.10 0.00 1.08 -5.35 -1.26 -5.14 119.36 109.00 1r3f n ILE 122 Ca -0.14 -1.35 0.00 0.00 -0.27 0.00 0.00 62.75 60.99 1r3f n ILE 122 Cb 0.57 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 1r3f n ILE 122 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1r3f n PRO 123 N 2.61 0.00 0.00 6.28 -0.02 -1.26 -5.16 135.00 137.45 1r3f n PRO 123 Ca 0.17 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1r3f n PRO 123 Cb 0.57 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1r3f n PRO 123 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1r3f n ILE 153 N -1.27 0.00 -4.15 4.25 2.08 -1.24 -5.11 119.36 113.93 1r3f n ILE 153 Ca 0.00 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.10 1r3f n ILE 153 Cb 0.19 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 38.91 1r3f n ILE 153 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1r3f s THR 154 N -0.40 0.59 -0.48 1.39 2.01 -1.26 -1.16 115.64 116.34 1r3f s THR 154 Ca 0.00 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 1r3f s THR 154 Cb 0.00 -0.62 0.11 0.00 0.01 0.00 0.00 72.50 72.00 1r3f s THR 154 CO 0.00 0.25 0.37 -0.69 -0.69 0.00 0.00 174.62 173.86 1r3f s VAL 155 N 1.04 4.58 0.34 3.82 1.01 -0.31 -0.75 120.40 130.12 1r3f s VAL 155 Ca -0.09 -1.56 0.05 0.00 0.00 0.00 0.00 61.98 60.39 1r3f s VAL 155 Cb -0.14 -3.92 0.14 0.00 0.00 0.00 0.00 36.38 32.45 1r3f s VAL 155 CO -0.00 -0.73 1.85 1.88 0.00 0.00 0.00 175.10 178.10 1r3f h TYR 156 N 8.59 0.45 -2.17 5.22 0.05 -1.19 -0.02 116.97 127.90 1r3f h TYR 156 Ca -0.25 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.45 1r3f h TYR 156 Cb 1.09 -0.13 -0.22 0.00 1.01 0.00 0.00 36.73 38.48 1r3f h TYR 156 CO 0.66 0.52 -0.03 -2.00 -1.05 0.00 0.00 178.16 176.26 1r3f s GLU 157 N -4.78 0.67 -0.35 4.88 2.12 -1.10 -4.86 118.70 115.29 1r3f s GLU 157 Ca -0.07 1.05 0.02 0.00 0.36 0.00 0.00 54.97 56.33 1r3f s GLU 157 Cb 0.15 0.18 0.10 0.00 0.26 0.00 0.00 34.13 34.83 1r3f s GLU 157 CO 0.76 -0.13 0.10 -1.17 -0.54 0.00 0.00 175.26 174.28 1r3f s LEU 158 N 1.18 3.50 -0.18 2.70 0.20 -1.26 -1.03 118.68 123.79 1r3f s LEU 158 Ca -0.07 -2.04 -0.24 0.00 0.69 0.00 0.00 54.13 52.48 1r3f s LEU 158 Cb -0.05 -1.26 -0.02 0.00 -0.43 0.00 0.00 46.19 44.43 1r3f s LEU 158 CO -0.12 -0.38 0.78 -0.22 -0.29 0.00 0.00 176.35 176.12 1r3f s LEU 159 N 1.08 4.16 -0.33 -0.68 2.96 0.38 -4.94 118.68 121.31 1r3f s LEU 159 Ca 0.11 1.07 -0.24 0.00 -0.22 0.00 0.00 54.13 54.85 1r3f s LEU 159 Cb -0.19 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.36 1r3f s LEU 159 CO -0.14 -0.38 0.84 0.12 -1.32 0.00 0.00 176.35 175.47 1r3f s PHE 160 N 2.16 3.15 -0.18 5.38 5.36 -1.26 -1.44 117.98 131.14 1r3f s PHE 160 Ca 0.35 0.78 -0.16 0.00 -0.96 0.00 0.00 56.93 56.94 1r3f s PHE 160 Cb -0.16 -3.39 -0.12 0.00 -0.34 0.00 0.00 43.02 39.01 1r3f s PHE 160 CO 0.11 -0.68 0.01 -0.89 -1.46 0.00 0.00 175.22 172.32 1r3f n ILE 161 N 5.71 1.49 -3.55 3.12 2.08 -0.62 -5.00 119.36 122.59 1r3f n ILE 161 Ca 0.05 0.06 -0.07 0.00 0.56 0.00 0.00 62.75 63.35 1r3f n ILE 161 Cb 0.48 -2.18 -0.02 0.00 -0.75 0.00 0.00 39.64 37.16 1r3f n ILE 161 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r3f s ARG 162 N -2.34 0.56 -0.14 0.38 1.70 -1.03 -4.99 118.95 113.09 1r3f s ARG 162 Ca -0.24 -0.19 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 1r3f s ARG 162 Cb 0.05 0.26 0.05 0.00 -0.57 0.00 0.00 34.95 34.73 1r3f s ARG 162 CO 0.43 -0.24 0.04 -1.58 -1.08 0.00 0.00 175.30 172.87 1r3f s HIS 163 N -2.70 0.63 -0.18 5.89 5.65 -1.26 -0.99 115.29 122.33 1r3f s HIS 163 Ca 0.07 -0.42 -0.04 0.00 0.25 0.00 0.00 55.06 54.92 1r3f s HIS 163 Cb -0.01 -0.83 0.06 0.00 -1.18 0.00 0.00 32.58 30.62 1r3f s HIS 163 CO -0.07 -0.47 0.06 -1.21 -0.65 0.00 0.00 174.74 172.41 1r3f s GLU 164 N 1.99 0.38 7.38 2.88 2.02 0.07 -5.01 118.70 128.40 1r3f s GLU 164 Ca 0.02 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1r3f s GLU 164 Cb -0.15 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1r3f s GLU 164 CO -0.07 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1r3f n GLY 165 N 5.16 3.23 1.21 -1.39 0.00 -1.26 -1.41 105.19 110.74 1r3f n GLY 165 Ca -0.08 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1r3f n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r3f n ASN 166 N 9.84 3.54 -4.34 1.61 5.03 -1.26 -4.91 115.26 124.77 1r3f n ASN 166 Ca 0.00 -2.14 -0.32 0.00 0.87 0.00 0.00 54.58 52.99 1r3f n ASN 166 Cb 0.00 -0.45 -0.15 0.00 -1.02 0.00 0.00 39.78 38.16 1r3f n ASN 166 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1r3f s GLU 167 N -1.42 2.64 -0.09 3.52 2.02 -0.50 0.63 118.70 125.50 1r3f s GLU 167 Ca 0.41 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1r3f s GLU 167 Cb 0.23 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1r3f s GLU 167 CO 0.25 0.43 -0.09 -1.17 0.02 0.00 0.00 175.26 174.70 1r3f s LEU 168 N -0.26 1.32 -0.09 1.80 2.96 -0.55 -0.75 118.68 123.10 1r3f s LEU 168 Ca 0.00 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1r3f s LEU 168 Cb -0.13 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 1r3f s LEU 168 CO 0.03 -0.07 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.11 1r3f s GLU 169 N 1.35 2.98 0.17 1.98 2.12 -0.16 0.04 118.70 127.17 1r3f s GLU 169 Ca -0.02 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.51 1r3f s GLU 169 Cb -0.14 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 1r3f s GLU 169 CO -0.04 0.32 0.14 -0.51 -0.54 0.00 0.00 175.26 174.62 1r3f s LEU 170 N 0.05 1.34 -0.06 2.70 1.43 0.17 -1.58 118.68 122.72 1r3f s LEU 170 Ca -0.07 -1.23 0.03 0.00 -1.03 0.00 0.00 54.13 51.83 1r3f s LEU 170 Cb -0.15 0.52 0.01 0.00 0.03 0.00 0.00 46.19 46.60 1r3f s LEU 170 CO 0.05 -0.82 -0.15 -1.61 0.23 0.00 0.00 176.35 174.05 1r3f s GLU 171 N -4.08 1.83 -0.11 1.70 2.02 -0.52 -0.56 118.70 118.98 1r3f s GLU 171 Ca 0.29 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1r3f s GLU 171 Cb 0.06 -1.52 0.02 0.00 0.10 0.00 0.00 34.13 32.79 1r3f s GLU 171 CO 0.06 0.12 -0.13 0.42 0.02 0.00 0.00 175.26 175.74 1r3f s ILE 172 N 0.40 1.38 -0.31 -1.63 1.01 0.32 -0.47 121.20 121.90 1r3f s ILE 172 Ca -0.11 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1r3f s ILE 172 Cb -0.14 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.08 1r3f s ILE 172 CO 0.04 0.42 0.07 -2.28 0.00 0.00 0.00 174.94 173.18 1r3f s HIS 173 N 1.12 3.20 0.27 3.97 5.65 -0.20 -0.12 115.29 129.19 1r3f s HIS 173 Ca -0.04 -1.37 0.02 0.00 0.25 0.00 0.00 55.06 53.91 1r3f s HIS 173 Cb -0.14 -2.22 -0.05 0.00 -1.18 0.00 0.00 32.58 28.98 1r3f s HIS 173 CO -0.03 -0.70 0.10 0.00 -0.65 0.00 0.00 174.74 173.46 1r3f s SER 175 N -3.34 4.89 0.61 0.00 1.04 0.07 -1.14 113.70 115.84 1r3f s SER 175 Ca 0.37 0.78 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 1r3f s SER 175 Cb 0.07 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 1r3f s SER 175 CO 0.14 -1.63 1.20 -1.59 0.98 0.00 0.00 173.24 172.34 1r3f s LYS 176 N -5.40 2.90 0.00 4.02 0.00 -1.21 -3.14 119.74 116.91 1r3f s LYS 176 Ca 0.60 1.78 0.00 0.00 0.00 0.00 0.00 55.97 58.35 1r3f s LYS 176 Cb -0.11 -1.92 0.00 0.00 0.00 0.00 0.00 37.83 35.80 1r3f s LYS 176 CO 0.48 -1.25 0.00 0.41 0.00 0.00 0.00 175.35 174.99 1r3f n GLY 177 N 0.42 0.90 3.74 0.59 0.00 -1.26 -4.88 105.19 104.70 1r3f n GLY 177 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1r3f n GLY 177 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r3f s THR 178 N -3.08 3.77 -0.46 2.61 2.01 -1.19 -5.00 115.64 114.30 1r3f s THR 178 Ca 0.00 1.53 -0.12 0.00 0.31 0.00 0.00 61.69 63.41 1r3f s THR 178 Cb 0.00 -3.98 0.09 0.00 0.01 0.00 0.00 72.50 68.63 1r3f s THR 178 CO 0.00 0.26 0.35 -0.31 -0.69 0.00 0.00 174.62 174.23 1r3f s TYR 179 N -0.22 3.31 0.14 4.92 2.02 -1.26 -4.97 117.35 121.29 1r3f s TYR 179 Ca 0.50 -1.37 -0.16 0.00 -0.37 0.00 0.00 57.07 55.67 1r3f s TYR 179 Cb -0.30 -3.24 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 1r3f s TYR 179 CO 0.36 -0.88 1.74 0.82 -1.57 0.00 0.00 175.55 176.01 1r3f h ILE 180 N 5.96 1.16 -0.12 2.71 1.08 -2.00 -2.39 117.51 123.91 1r3f h ILE 180 Ca -0.25 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 1r3f h ILE 180 Cb 1.09 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 1r3f h ILE 180 CO 0.85 0.16 -0.02 0.03 -0.69 0.00 0.00 178.15 178.48 1r3f h ARG 181 N 0.51 0.16 -0.15 2.37 3.08 -1.93 -1.83 114.38 116.60 1r3f h ARG 181 Ca 0.14 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 1r3f h ARG 181 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1r3f h ARG 181 CO -0.02 0.21 -0.61 1.15 -1.07 0.00 0.00 179.97 179.62 1r3f h THR 182 N 0.16 1.34 -0.29 2.04 2.02 -1.88 -0.14 112.91 116.17 1r3f h THR 182 Ca 0.04 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 1r3f h THR 182 Cb 0.16 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1r3f h THR 182 CO 0.00 0.59 0.13 0.40 0.37 0.00 0.00 175.52 177.01 1r3f h ILE 183 N 0.38 1.16 -0.45 3.11 2.04 -0.86 0.44 117.51 123.32 1r3f h ILE 183 Ca -0.01 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1r3f h ILE 183 Cb 1.16 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1r3f h ILE 183 CO 0.11 0.16 0.10 0.40 0.00 0.00 0.00 178.15 178.92 1r3f h ILE 184 N 0.32 1.24 -0.11 -0.67 1.08 -1.30 0.97 117.51 119.05 1r3f h ILE 184 Ca 0.10 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1r3f h ILE 184 Cb 0.14 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1r3f h ILE 184 CO -0.01 0.30 0.05 -0.78 -0.69 0.00 0.00 178.15 177.02 1r3f h ASP 185 N 0.61 0.15 -0.82 1.72 3.58 -0.88 0.12 116.42 120.89 1r3f h ASP 185 Ca 0.14 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1r3f h ASP 185 Cb 0.35 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 1r3f h ASP 185 CO 0.00 0.25 0.45 0.44 -2.88 0.00 0.00 179.24 177.50 1r3f h ASP 186 N 0.04 1.03 -0.57 2.28 3.32 -0.82 -1.83 116.42 119.87 1r3f h ASP 186 Ca 0.04 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1r3f h ASP 186 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1r3f h ASP 186 CO -0.00 0.83 0.15 0.25 -1.72 0.00 0.00 179.24 178.74 1r3f h LEU 187 N 1.16 0.86 -1.37 1.55 5.85 -0.52 -1.10 115.31 121.73 1r3f h LEU 187 Ca 0.29 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1r3f h LEU 187 Cb 0.03 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1r3f h LEU 187 CO -0.05 0.86 0.44 1.23 -0.34 0.00 0.00 178.44 180.59 1r3f h GLY 188 N 0.82 0.92 1.19 3.75 0.00 -0.08 -0.50 103.07 109.18 1r3f h GLY 188 Ca 0.18 -0.33 -0.27 0.00 0.00 0.00 0.00 47.33 46.92 1r3f h GLY 188 CO -0.00 0.30 -1.05 0.83 0.00 0.00 0.00 176.54 176.62 1r3f h GLU 189 N 0.83 0.69 -0.21 4.80 4.39 -1.04 0.86 114.58 124.91 1r3f h GLU 189 Ca 0.26 -0.76 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1r3f h GLU 189 Cb 0.01 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1r3f h GLU 189 CO -0.07 1.33 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.88 1r3f h LYS 190 N 0.36 0.30 0.00 2.33 3.64 -0.75 -0.26 116.57 122.19 1r3f h LYS 190 Ca -0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1r3f h LYS 190 Cb 1.71 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1r3f h LYS 190 CO 0.21 0.34 -0.01 1.28 -2.27 0.00 0.00 179.45 179.00 1r3f n LEU 191 N -4.35 0.32 0.00 5.20 4.77 -0.24 -4.93 117.00 117.78 1r3f n LEU 191 Ca 0.00 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1r3f n LEU 191 Cb 0.20 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1r3f n LEU 191 CO 0.37 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1r3f n GLY 192 N 1.43 0.87 0.00 -0.72 0.00 -0.11 -4.52 105.19 102.14 1r3f n GLY 192 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1r3f n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3f n GLY 194 N 1.56 -2.47 3.48 0.00 0.00 0.30 -3.16 105.19 104.89 1r3f n GLY 194 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 1r3f n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3f s ALA 195 N -3.27 -1.75 0.03 4.61 0.00 -1.22 -0.79 121.76 119.38 1r3f s ALA 195 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1r3f s ALA 195 Cb 0.00 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1r3f s ALA 195 CO 0.00 -0.63 0.23 -3.38 0.00 0.00 0.00 175.76 171.98 1r3f s HIS 196 N -2.85 -0.02 0.05 0.00 -3.43 -0.90 -4.33 115.29 103.81 1r3f s HIS 196 Ca 0.00 -0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 53.82 1r3f s HIS 196 Cb -0.01 0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 31.10 1r3f s HIS 196 CO -0.07 -0.43 1.21 0.08 -2.00 0.00 0.00 174.74 173.53 1r3f s VAL 197 N -2.31 4.03 -0.19 -5.38 1.01 0.04 -0.61 120.40 117.00 1r3f s VAL 197 Ca -0.07 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.41 1r3f s VAL 197 Cb -0.02 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1r3f s VAL 197 CO -0.02 0.10 0.18 2.30 0.00 0.00 0.00 175.10 177.66 1r3f n ILE 198 N 4.00 0.00 -3.70 2.22 -5.35 -0.09 0.26 119.36 116.70 1r3f n ILE 198 Ca 0.09 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 1r3f n ILE 198 Cb 0.46 0.93 -0.11 0.00 -1.74 0.00 0.00 39.64 39.18 1r3f n ILE 198 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1r3f s TYR 199 N -1.53 -0.60 -0.09 4.28 5.04 -1.06 -4.85 117.35 118.54 1r3f s TYR 199 Ca 0.01 1.28 -0.04 0.00 -2.44 0.00 0.00 57.07 55.89 1r3f s TYR 199 Cb 0.03 0.26 0.05 0.00 0.35 0.00 0.00 41.96 42.65 1r3f s TYR 199 CO 0.19 -0.33 0.19 -1.17 -1.34 0.00 0.00 175.55 173.08 1r3f s LEU 200 N 1.29 0.01 -0.04 6.97 2.96 -1.26 -1.44 118.68 127.16 1r3f s LEU 200 Ca -0.09 0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.22 1r3f s LEU 200 Cb -0.08 0.41 0.03 0.00 0.50 0.00 0.00 46.19 47.05 1r3f s LEU 200 CO -0.12 -0.23 0.01 -0.60 -1.32 0.00 0.00 176.35 174.10 1r3f s ARG 201 N 2.11 0.35 -0.44 1.98 3.52 -0.50 -2.00 118.95 123.96 1r3f s ARG 201 Ca 0.00 0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 55.47 1r3f s ARG 201 Cb -0.12 -0.63 0.02 0.00 -1.56 0.00 0.00 34.95 32.67 1r3f s ARG 201 CO -0.07 -0.20 0.94 0.50 -0.81 0.00 0.00 175.30 175.66 1r3f s ARG 202 N 1.42 3.60 0.15 5.12 3.52 -0.07 -0.69 118.95 132.01 1r3f s ARG 202 Ca -0.04 0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.75 1r3f s ARG 202 Cb -0.13 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.33 1r3f s ARG 202 CO -0.03 -1.18 1.40 -0.07 -0.81 0.00 0.00 175.30 174.61 1r3f h LEU 203 N 10.51 0.74 -7.00 -0.88 3.38 -0.89 -0.33 115.31 120.84 1r3f h LEU 203 Ca -0.24 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.30 1r3f h LEU 203 Cb 1.08 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.48 1r3f h LEU 203 CO 1.02 1.22 0.31 0.00 0.09 0.00 0.00 178.44 181.09 1r3f s ALA 204 N -3.81 -1.68 -0.07 1.53 0.00 -1.07 -4.62 121.76 112.04 1r3f s ALA 204 Ca -0.08 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1r3f s ALA 204 Cb 0.10 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1r3f s ALA 204 CO 0.87 -0.74 -0.19 0.08 0.00 0.00 0.00 175.76 175.78 1r3f s VAL 205 N -3.50 1.66 0.00 0.00 1.01 -1.26 -1.22 120.40 117.09 1r3f s VAL 205 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1r3f s VAL 205 Cb -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1r3f s VAL 205 CO -0.11 0.47 0.00 -0.24 0.00 0.00 0.00 175.10 175.22 1r3f n SER 206 N 3.36 0.00 -0.90 3.32 2.88 0.33 -2.60 113.62 120.02 1r3f n SER 206 Ca -0.19 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.43 1r3f n SER 206 Cb 0.53 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.21 1r3f n SER 206 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1r3f n LYS 207 N 6.58 2.13 -1.67 -1.46 2.85 -1.26 -4.91 118.16 120.41 1r3f n LYS 207 Ca 0.00 -1.75 -0.45 0.00 -1.05 0.00 0.00 58.31 55.06 1r3f n LYS 207 Cb 0.00 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 32.96 1r3f n LYS 207 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1r3f n TYR 208 N 0.92 2.22 -2.11 5.58 4.01 -1.07 -4.89 117.16 121.82 1r3f n TYR 208 Ca 0.17 0.38 -0.42 0.00 -0.16 0.00 0.00 57.90 57.86 1r3f n TYR 208 Cb 0.42 -2.49 -0.03 0.00 -0.31 0.00 0.00 39.34 36.93 1r3f n TYR 208 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1r3f s PRO 209 N -0.03 4.23 0.47 -0.72 0.02 -1.26 -4.70 135.00 133.01 1r3f s PRO 209 Ca 0.71 2.09 0.18 0.00 0.02 0.00 0.00 61.00 64.01 1r3f s PRO 209 Cb -0.65 -3.70 1.18 0.00 0.02 0.00 0.00 34.50 31.34 1r3f s PRO 209 CO 0.46 -0.69 1.98 -0.39 -0.33 0.00 0.00 177.00 178.03 1r3f h VAL 210 N 5.10 0.82 0.00 3.83 -1.51 -1.90 -0.43 116.25 122.15 1r3f h VAL 210 Ca -0.39 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1r3f h VAL 210 Cb 1.18 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1r3f h VAL 210 CO 0.93 0.04 0.00 -1.84 -1.23 0.00 0.00 177.57 175.47 1r3f n GLU 211 N -4.44 0.06 -0.04 5.19 0.00 -1.26 -2.55 120.64 117.59 1r3f n GLU 211 Ca 0.10 0.17 0.13 0.00 0.00 0.00 0.00 57.16 57.56 1r3f n GLU 211 Cb 0.48 -1.50 0.39 0.00 0.00 0.00 0.00 31.44 30.81 1r3f n GLU 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1r3f n ARG 212 N -1.45 1.87 -2.31 3.44 5.12 -0.17 -4.91 116.66 118.24 1r3f n ARG 212 Ca 0.05 -1.28 -0.36 0.00 -1.93 0.00 0.00 57.85 54.33 1r3f n ARG 212 Cb 0.20 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 1r3f n ARG 212 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1r3f s MET 213 N -1.90 3.75 0.04 5.56 -1.94 -1.06 -4.63 119.30 119.12 1r3f s MET 213 Ca 0.35 1.69 0.03 0.00 -1.71 0.00 0.00 55.69 56.05 1r3f s MET 213 Cb 0.20 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1r3f s MET 213 CO 0.31 -0.54 -0.10 0.14 -0.01 0.00 0.00 175.02 174.82 1r3f s VAL 214 N -1.62 0.71 0.50 -6.03 -7.23 -0.07 -4.91 120.40 101.75 1r3f s VAL 214 Ca 0.64 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1r3f s VAL 214 Cb -0.26 -0.72 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1r3f s VAL 214 CO 0.32 -0.22 0.75 0.42 -0.31 0.00 0.00 175.10 176.05 1r3f s THR 215 N -1.10 3.70 0.25 5.32 -4.23 -1.26 -0.87 115.64 117.45 1r3f s THR 215 Ca -0.05 -0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 1r3f s THR 215 Cb -0.09 -3.40 0.09 0.00 1.34 0.00 0.00 72.50 70.45 1r3f s THR 215 CO 0.01 -0.32 1.73 -0.07 -0.54 0.00 0.00 174.62 175.43 1r3f h LEU 216 N 0.19 0.74 -0.51 4.79 3.38 -2.00 -2.17 115.31 119.72 1r3f h LEU 216 Ca -0.45 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1r3f h LEU 216 Cb 1.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1r3f h LEU 216 CO 0.57 0.85 0.33 -0.33 0.09 0.00 0.00 178.44 179.96 1r3f h GLU 217 N 0.69 0.69 -0.53 1.13 3.07 -1.97 -0.63 114.58 117.03 1r3f h GLU 217 Ca 0.13 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.88 1r3f h GLU 217 Cb 0.53 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1r3f h GLU 217 CO 0.03 0.47 0.12 1.25 -1.40 0.00 0.00 179.01 179.48 1r3f h HIS 218 N 0.69 0.84 -0.31 4.33 2.76 -1.89 0.23 115.15 121.81 1r3f h HIS 218 Ca 0.19 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1r3f h HIS 218 Cb -0.06 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 1r3f h HIS 218 CO -0.03 0.71 0.10 -0.07 -1.30 0.00 0.00 177.93 177.34 1r3f h LEU 219 N 0.78 0.45 -0.95 0.26 4.07 -0.86 -1.79 115.31 117.28 1r3f h LEU 219 Ca 0.17 -0.20 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 1r3f h LEU 219 Cb 0.31 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 1r3f h LEU 219 CO 0.00 0.53 0.05 0.03 -1.08 0.00 0.00 178.44 177.97 1r3f h ARG 220 N 0.35 0.82 -0.35 1.13 3.08 -0.72 -1.60 114.38 117.08 1r3f h ARG 220 Ca 0.10 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1r3f h ARG 220 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1r3f h ARG 220 CO -0.00 0.79 -0.07 0.93 -1.07 0.00 0.00 179.97 180.54 1r3f h GLU 221 N 0.77 0.59 -0.14 0.04 5.08 -0.76 -1.66 114.58 118.50 1r3f h GLU 221 Ca 0.16 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1r3f h GLU 221 Cb 0.40 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1r3f h GLU 221 CO 0.01 0.66 -0.62 -0.07 -1.00 0.00 0.00 179.01 178.00 1r3f h LEU 222 N 0.55 0.55 -0.68 1.33 3.38 -0.86 -1.05 115.31 118.52 1r3f h LEU 222 Ca 0.11 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1r3f h LEU 222 Cb 0.46 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1r3f h LEU 222 CO 0.02 1.04 0.20 0.58 0.09 0.00 0.00 178.44 180.37 1r3f h VAL 223 N 0.36 1.26 -0.39 1.22 2.07 -0.89 -0.50 116.25 119.38 1r3f h VAL 223 Ca -0.01 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 1r3f h VAL 223 Cb 1.17 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1r3f h VAL 223 CO 0.11 0.34 -0.19 -0.33 0.02 0.00 0.00 177.57 177.53 1r3f h GLU 224 N 1.00 0.82 -0.76 1.57 5.08 -1.20 -1.56 114.58 119.52 1r3f h GLU 224 Ca 0.22 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1r3f h GLU 224 Cb 0.31 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1r3f h GLU 224 CO -0.01 0.99 0.49 0.37 -1.00 0.00 0.00 179.01 179.85 1r3f h GLN 225 N 0.62 0.95 -0.16 2.33 4.15 -0.92 0.13 115.11 122.21 1r3f h GLN 225 Ca 0.09 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1r3f h GLN 225 Cb 0.74 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1r3f h GLN 225 CO 0.06 0.63 0.01 0.00 -1.93 0.00 0.00 178.83 177.59 1r3f h ALA 226 N 1.31 0.22 -0.90 3.38 0.00 -0.95 -1.16 119.26 121.16 1r3f h ALA 226 Ca 0.30 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1r3f h ALA 226 Cb -0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1r3f h ALA 226 CO -0.09 -0.09 0.57 1.49 0.00 0.00 0.00 179.25 181.13 1r3f h GLU 227 N 0.04 1.04 -0.62 0.00 4.81 -0.90 0.98 114.58 119.94 1r3f h GLU 227 Ca 0.05 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1r3f h GLU 227 Cb 0.35 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1r3f h GLU 227 CO 0.01 0.69 0.32 0.37 -0.73 0.00 0.00 179.01 179.66 1r3f h GLN 228 N 1.07 0.88 -0.01 1.92 4.15 -0.52 -2.23 115.11 120.37 1r3f h GLN 228 Ca 0.37 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1r3f h GLN 228 Cb 0.09 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1r3f h GLN 228 CO -0.15 0.69 -0.01 1.04 -1.93 0.00 0.00 178.83 178.47 1r3f n GLN 229 N -4.53 1.24 -2.67 1.69 6.02 -0.46 -4.91 117.38 113.75 1r3f n GLN 229 Ca 0.04 -0.42 -0.20 0.00 -0.01 0.00 0.00 57.00 56.41 1r3f n GLN 229 Cb 0.11 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.89 1r3f n GLN 229 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1r3f n ASP 230 N -0.51 -5.66 -4.58 1.08 2.03 0.22 -5.01 116.55 104.11 1r3f n ASP 230 Ca 0.21 -0.15 -0.24 0.00 0.52 0.00 0.00 54.79 55.14 1r3f n ASP 230 Cb 0.23 -4.59 -0.08 0.00 -0.72 0.00 0.00 41.12 35.96 1r3f n ASP 230 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1r3f s ILE 231 N -3.05 3.11 0.40 5.18 -4.36 -0.48 -5.02 121.20 116.99 1r3f s ILE 231 Ca 0.15 -2.04 -0.27 0.00 -0.26 0.00 0.00 60.65 58.23 1r3f s ILE 231 Cb -0.06 -2.64 -0.10 0.00 1.25 0.00 0.00 42.46 40.91 1r3f s ILE 231 CO 0.18 -0.35 1.43 -2.84 0.24 0.00 0.00 174.94 173.60 1r3f s PRO 232 N -3.52 3.98 0.30 0.37 0.02 -1.26 -4.22 135.00 130.66 1r3f s PRO 232 Ca 0.30 2.44 -0.01 0.00 0.02 0.00 0.00 61.00 63.76 1r3f s PRO 232 Cb -0.06 -2.86 0.48 0.00 0.02 0.00 0.00 34.50 32.09 1r3f s PRO 232 CO 0.18 -0.59 1.93 0.00 -0.33 0.00 0.00 177.00 178.19 1r3f h ALA 233 N 2.79 1.46 -1.00 -1.55 0.00 -1.91 -2.20 119.26 116.86 1r3f h ALA 233 Ca -0.51 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 54.60 1r3f h ALA 233 Cb 1.25 -0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1r3f h ALA 233 CO 0.63 0.44 0.64 0.00 0.00 0.00 0.00 179.25 180.96 1r3f h ALA 234 N 1.49 2.14 -0.64 0.00 0.00 -1.92 -0.42 119.26 119.92 1r3f h ALA 234 Ca 0.36 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.37 1r3f h ALA 234 Cb 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1r3f h ALA 234 CO -0.12 -0.51 0.42 1.49 0.00 0.00 0.00 179.25 180.53 1r3f h GLU 235 N 0.45 0.68 0.00 0.00 4.81 -1.76 0.16 114.58 118.92 1r3f h GLU 235 Ca 0.56 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.55 1r3f h GLU 235 Cb 1.32 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1r3f h GLU 235 CO -0.27 0.45 -1.95 1.28 -0.73 0.00 0.00 179.01 177.79 1r3f n LEU 236 N -4.47 0.30 0.08 1.64 4.77 -0.31 -4.54 117.00 114.47 1r3f n LEU 236 Ca 0.08 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.97 1r3f n LEU 236 Cb 0.18 0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 41.33 1r3f n LEU 236 CO 0.34 0.24 -0.29 -0.07 -1.33 0.00 0.00 177.39 176.28 1r3f h LEU 237 N 0.00 0.62 -1.51 2.23 3.38 -0.88 -3.38 115.31 115.77 1r3f h LEU 237 Ca -0.26 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 56.82 1r3f h LEU 237 Cb 1.67 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1r3f h LEU 237 CO 0.03 1.65 0.37 0.44 0.09 0.00 0.00 178.44 181.01 1r3f h ASP 238 N -0.06 0.54 0.26 -0.43 3.32 -0.92 -2.06 116.42 117.06 1r3f h ASP 238 Ca -0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1r3f h ASP 238 Cb 1.96 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.39 1r3f h ASP 238 CO 0.18 0.38 0.00 -0.65 -1.72 0.00 0.00 179.24 177.43 1r3f h PRO 239 N 0.63 0.00 0.00 3.56 0.11 -1.79 -2.07 132.00 132.44 1r3f h PRO 239 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1r3f h PRO 239 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1r3f h PRO 239 CO -0.06 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.63 1r3f h LEU 240 N 0.00 0.00-10.04 2.35 3.38 -1.60 -3.46 115.31 105.93 1r3f h LEU 240 Ca 0.00 -0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1r3f h LEU 240 Cb 0.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.91 1r3f h LEU 240 CO 0.00 0.00 0.41 -0.76 0.09 0.00 0.00 178.44 178.18 1r3f s LEU 241 N -5.30 3.91 0.36 1.67 1.43 -0.78 -4.74 118.68 115.22 1r3f s LEU 241 Ca 0.09 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 1r3f s LEU 241 Cb 0.09 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 1r3f s LEU 241 CO 0.64 -0.79 0.58 -0.04 0.23 0.00 0.00 176.35 176.96 1r3f s MET 242 N -3.03 3.50 0.69 1.70 -1.94 0.74 -4.84 119.30 116.12 1r3f s MET 242 Ca 0.66 -0.24 -0.17 0.00 -1.71 0.00 0.00 55.69 54.23 1r3f s MET 242 Cb -0.20 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 1r3f s MET 242 CO 0.24 0.11 0.88 -2.30 -0.01 0.00 0.00 175.02 173.93 1r3f n PRO 243 N -1.79 0.57 0.27 2.03 -0.02 -1.26 -0.90 135.00 133.89 1r3f n PRO 243 Ca -0.04 0.24 0.18 0.00 -2.02 0.00 0.00 63.50 61.86 1r3f n PRO 243 Cb 0.56 -2.13 0.85 0.00 -0.02 0.00 0.00 33.50 32.76 1r3f n PRO 243 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r3f h MET 244 N -0.08 0.00 0.00 -0.52 -0.00 -1.88 -1.43 114.93 111.02 1r3f h MET 244 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 1r3f h MET 244 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.95 1r3f h MET 244 CO 0.47 0.00 -0.54 -0.40 -0.00 0.00 0.00 176.91 176.44 1r3f n ASP 245 N -2.90 0.53 0.23 -0.10 5.68 -1.26 -4.32 116.55 114.42 1r3f n ASP 245 Ca -0.01 -0.29 0.18 0.00 -0.50 0.00 0.00 54.79 54.17 1r3f n ASP 245 Cb 0.18 0.30 0.87 0.00 -1.14 0.00 0.00 41.12 41.33 1r3f n ASP 245 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1r3f h SER 246 N 0.00 0.00 0.30 -1.12 4.64 -1.60 -0.43 113.55 115.35 1r3f h SER 246 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r3f h SER 246 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1r3f h SER 246 CO 0.00 0.00 -0.01 -0.65 -0.87 0.00 0.00 176.83 175.30 1r3f h PRO 247 N 0.00 0.00 -0.92 4.77 0.11 -1.79 -1.30 132.00 132.86 1r3f h PRO 247 Ca 0.07 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.70 1r3f h PRO 247 Cb 0.52 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.34 1r3f h PRO 247 CO -0.00 0.01 0.57 0.00 -0.21 0.00 0.00 178.00 178.37 1r3f n ALA 248 N -2.11 5.45 0.32 -0.75 0.00 -0.17 -3.24 120.51 120.01 1r3f n ALA 248 Ca -0.02 -2.92 0.19 0.00 0.00 0.00 0.00 53.44 50.69 1r3f n ALA 248 Cb 0.15 -1.37 1.07 0.00 0.00 0.00 0.00 19.45 19.30 1r3f n ALA 248 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1r3f h SER 249 N 1.03 0.00 0.60 0.00 0.02 -1.36 -1.66 113.55 112.17 1r3f h SER 249 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1r3f h SER 249 Cb 2.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.28 1r3f h SER 249 CO 1.02 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 177.18 1r3f n ASP 250 N -3.41 0.07 -4.56 3.07 8.00 -1.26 -4.72 116.55 113.73 1r3f n ASP 250 Ca -0.03 0.52 -0.34 0.00 0.71 0.00 0.00 54.79 55.65 1r3f n ASP 250 Cb 0.10 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.56 1r3f n ASP 250 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1r3f s TYR 251 N -3.03 2.90 0.83 1.24 2.02 -0.63 -5.11 117.35 115.58 1r3f s TYR 251 Ca 0.08 -0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 1r3f s TYR 251 Cb 0.11 -1.71 0.10 0.00 -0.40 0.00 0.00 41.96 40.06 1r3f s TYR 251 CO 0.32 0.29 1.19 -1.25 -1.57 0.00 0.00 175.55 174.52 1r3f s PRO 252 N -0.74 1.48 -0.16 -1.71 0.04 -1.26 -4.44 135.00 128.21 1r3f s PRO 252 Ca 0.11 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.77 1r3f s PRO 252 Cb -0.11 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1r3f s PRO 252 CO 0.01 -2.32 0.13 0.08 0.04 0.00 0.00 177.00 174.95 1r3f s VAL 253 N -2.27 5.44 -0.15 -0.36 1.01 -1.26 -0.66 120.40 122.14 1r3f s VAL 253 Ca 0.72 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1r3f s VAL 253 Cb -0.27 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1r3f s VAL 253 CO 0.52 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 175.32 1r3f s VAL 254 N -0.27 1.56 -0.11 2.92 1.01 0.22 -4.94 120.40 120.80 1r3f s VAL 254 Ca 0.11 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1r3f s VAL 254 Cb -0.11 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1r3f s VAL 254 CO 0.01 0.43 0.25 0.21 0.00 0.00 0.00 175.10 175.99 1r3f s ASN 255 N 1.48 6.48 0.01 3.32 2.47 -1.26 -1.31 114.94 126.13 1r3f s ASN 255 Ca 0.04 0.57 0.06 0.00 0.42 0.00 0.00 52.86 53.95 1r3f s ASN 255 Cb -0.13 -2.15 -0.03 0.00 -1.45 0.00 0.00 41.25 37.49 1r3f s ASN 255 CO -0.10 0.27 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.62 1r3f s LEU 256 N -0.41 2.64 0.66 3.21 1.43 0.32 -4.94 118.68 121.59 1r3f s LEU 256 Ca 0.17 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 1r3f s LEU 256 Cb -0.13 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 1r3f s LEU 256 CO 0.05 0.29 1.07 -2.16 0.23 0.00 0.00 176.35 175.84 1r3f s PRO 257 N -1.16 2.95 0.55 1.29 0.04 -1.26 -1.29 135.00 136.13 1r3f s PRO 257 Ca 0.13 1.17 0.24 0.00 0.04 0.00 0.00 61.00 62.58 1r3f s PRO 257 Cb -0.11 -1.98 1.47 0.00 0.04 0.00 0.00 34.50 33.92 1r3f s PRO 257 CO 0.03 -1.10 2.09 -0.07 0.04 0.00 0.00 177.00 178.00 1r3f h LEU 258 N -0.19 0.00 -1.71 -3.56 3.38 -1.95 -0.59 115.31 110.69 1r3f h LEU 258 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1r3f h LEU 258 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1r3f h LEU 258 CO 0.56 0.00 -0.16 0.71 0.09 0.00 0.00 178.44 179.63 1r3f h THR 259 N 0.00 0.64 0.01 0.22 1.35 -2.03 -3.05 112.91 110.05 1r3f h THR 259 Ca 0.10 -0.70 -0.37 0.00 -0.55 0.00 0.00 66.41 64.89 1r3f h THR 259 Cb 0.46 1.45 -0.07 0.00 -1.73 0.00 0.00 68.15 68.27 1r3f h THR 259 CO -0.00 0.16 -2.36 -1.20 -0.25 0.00 0.00 175.52 171.86 1r3f n SER 260 N -3.65 1.11 0.17 5.36 7.64 -0.37 -4.45 113.62 119.43 1r3f n SER 260 Ca -0.01 -0.02 0.07 0.00 1.01 0.00 0.00 58.87 59.91 1r3f n SER 260 Cb 0.29 0.16 0.58 0.00 -1.01 0.00 0.00 64.21 64.22 1r3f n SER 260 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1r3f h SER 261 N 0.01 0.14 -0.56 6.43 4.64 -1.13 -2.26 113.55 120.82 1r3f h SER 261 Ca -0.54 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1r3f h SER 261 Cb 2.06 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 64.08 1r3f h SER 261 CO -0.02 0.10 0.33 1.62 -0.87 0.00 0.00 176.83 177.99 1r3f h VAL 262 N 0.16 1.03 -0.01 0.95 3.04 -1.75 0.35 116.25 120.02 1r3f h VAL 262 Ca 0.06 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1r3f h VAL 262 Cb 0.03 0.33 -0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1r3f h VAL 262 CO -0.01 0.12 0.01 1.88 -1.01 0.00 0.00 177.57 178.55 1r3f h TYR 263 N 0.64 0.01 -0.50 3.17 0.05 -1.67 -2.01 116.97 116.68 1r3f h TYR 263 Ca 0.23 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.05 1r3f h TYR 263 Cb 0.06 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 1r3f h TYR 263 CO -0.07 0.07 0.26 0.35 -1.05 0.00 0.00 178.16 177.72 1r3f h PHE 264 N -0.05 0.48 0.00 4.88 3.57 -1.16 -1.14 116.94 123.52 1r3f h PHE 264 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1r3f h PHE 264 Cb 0.06 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1r3f h PHE 264 CO -0.06 0.25 0.00 1.63 -2.23 0.00 0.00 178.31 177.90 1r3f n LYS 265 N -4.87 0.19 -0.17 1.11 5.02 0.12 -1.13 118.16 118.44 1r3f n LYS 265 Ca 0.04 0.46 0.10 0.00 -2.02 0.00 0.00 58.31 56.90 1r3f n LYS 265 Cb 0.12 -1.90 0.28 0.00 -0.02 0.00 0.00 35.03 33.51 1r3f n LYS 265 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r3f n ASN 266 N -2.27 2.59 0.00 4.39 5.03 -0.54 -4.92 115.26 119.54 1r3f n ASN 266 Ca 0.01 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.58 1r3f n ASN 266 Cb 0.20 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 1r3f n ASN 266 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r3f n GLY 267 N 1.31 0.75 3.44 7.41 0.00 -0.28 -4.99 105.19 112.84 1r3f n GLY 267 Ca 0.18 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1r3f n GLY 267 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r3f s ASN 268 N -2.62 3.74 0.47 1.61 -0.87 -0.55 -4.83 114.94 111.89 1r3f s ASN 268 Ca 0.00 -0.42 -0.22 0.00 -1.57 0.00 0.00 52.86 50.64 1r3f s ASN 268 Cb 0.00 -0.59 -0.07 0.00 -0.02 0.00 0.00 41.25 40.56 1r3f s ASN 268 CO 0.00 0.27 1.16 -2.84 -2.57 0.00 0.00 177.10 173.11 1r3f s PRO 269 N -1.34 3.70 0.03 -0.60 0.02 -1.26 -3.24 135.00 132.31 1r3f s PRO 269 Ca 0.14 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.92 1r3f s PRO 269 Cb -0.10 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 32.04 1r3f s PRO 269 CO 0.04 -0.59 -0.06 0.14 -0.33 0.00 0.00 177.00 176.20 1r3f s VAL 270 N -1.58 0.40 0.19 3.83 -7.23 -0.85 -4.87 120.40 110.29 1r3f s VAL 270 Ca 0.65 -0.92 -0.18 0.00 -1.81 0.00 0.00 61.98 59.71 1r3f s VAL 270 Cb -0.28 -0.48 -0.08 0.00 0.56 0.00 0.00 36.38 36.11 1r3f s VAL 270 CO 0.33 -0.36 0.66 -0.13 -0.31 0.00 0.00 175.10 175.30 1r3f s ARG 271 N -1.37 4.17 -0.26 4.82 0.52 -1.26 -0.01 118.95 125.57 1r3f s ARG 271 Ca -0.10 0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 55.68 1r3f s ARG 271 Cb -0.09 -2.93 0.07 0.00 0.52 0.00 0.00 34.95 32.52 1r3f s ARG 271 CO -0.00 0.44 0.65 0.99 0.02 0.00 0.00 175.30 177.40 1r3f s THR 272 N -1.46 -0.00 0.29 0.02 2.01 -1.26 -4.95 115.64 110.28 1r3f s THR 272 Ca 0.40 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1r3f s THR 272 Cb -0.17 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.34 1r3f s THR 272 CO 0.20 0.00 0.65 -0.44 -0.69 0.00 0.00 174.62 174.35 1r3f s SER 273 N 1.10 6.68 0.00 3.53 0.01 -1.26 -3.81 113.70 119.95 1r3f s SER 273 Ca -0.06 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1r3f s SER 273 Cb -0.05 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1r3f s SER 273 CO -0.11 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1r3f n GLY 274 N -0.37 2.56 3.51 3.44 0.00 -1.26 -5.02 105.19 108.06 1r3f n GLY 274 Ca 0.02 -0.59 -0.54 0.00 0.00 0.00 0.00 46.02 44.91 1r3f n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3f n ALA 275 N 0.00 -2.63 -0.45 4.61 0.00 -1.25 -4.94 120.51 115.85 1r3f n ALA 275 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 53.44 53.86 1r3f n ALA 275 Cb 0.00 -1.83 0.19 0.00 0.00 0.00 0.00 19.45 17.81 1r3f n ALA 275 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1r3f n PRO 276 N 1.61 -2.73 -0.04 0.00 -0.01 -1.26 -4.92 135.00 127.66 1r3f n PRO 276 Ca 0.19 -0.93 0.10 0.00 -0.01 0.00 0.00 63.50 62.85 1r3f n PRO 276 Cb 0.15 -1.46 0.11 0.00 -0.01 0.00 0.00 33.50 32.29 1r3f n PRO 276 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 1r3f n LEU 277 N 0.00 2.84 -3.56 2.45 7.99 -1.26 -4.98 117.00 120.49 1r3f n LEU 277 Ca 0.09 -1.11 -0.09 0.00 -0.01 0.00 0.00 56.01 54.89 1r3f n LEU 277 Cb 0.38 -0.05 -0.04 0.00 -0.11 0.00 0.00 43.42 43.61 1r3f n LEU 277 CO 0.25 0.52 0.80 -0.70 -1.51 0.00 0.00 177.39 176.75 1r3f s GLU 278 N -1.65 0.60 0.02 3.23 2.12 -1.26 -5.00 118.70 116.77 1r3f s GLU 278 Ca 0.26 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.55 1r3f s GLU 278 Cb 0.18 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.85 1r3f s GLU 278 CO 0.26 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1r3f n GLY 279 N 0.28 -2.79 3.80 -1.50 0.00 -1.26 -4.83 105.19 98.89 1r3f n GLY 279 Ca -0.08 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1r3f n GLY 279 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3f s LEU 280 N 0.00 3.78 0.03 0.99 1.43 -1.26 -1.94 118.68 121.71 1r3f s LEU 280 Ca 0.00 1.92 -0.09 0.00 -1.03 0.00 0.00 54.13 54.93 1r3f s LEU 280 Cb 0.00 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1r3f s LEU 280 CO 0.00 -0.87 0.18 0.68 0.23 0.00 0.00 176.35 176.57 1r3f s VAL 281 N -2.05 0.10 -0.08 -1.59 -7.23 0.47 -4.37 120.40 105.64 1r3f s VAL 281 Ca 0.67 -0.83 -0.20 0.00 -1.81 0.00 0.00 61.98 59.81 1r3f s VAL 281 Cb -0.17 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1r3f s VAL 281 CO 0.23 -0.46 0.56 -0.13 -0.31 0.00 0.00 175.10 174.99 1r3f s ARG 282 N -2.17 4.35 -0.11 4.82 0.52 0.17 -0.24 118.95 126.29 1r3f s ARG 282 Ca -0.08 0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 55.73 1r3f s ARG 282 Cb -0.03 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 1r3f s ARG 282 CO -0.02 0.18 -0.07 0.08 0.02 0.00 0.00 175.30 175.49 1r3f s VAL 283 N 0.51 3.65 0.33 3.52 1.01 0.24 -0.61 120.40 129.04 1r3f s VAL 283 Ca 0.30 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1r3f s VAL 283 Cb -0.16 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 1r3f s VAL 283 CO 0.14 0.54 0.03 0.42 0.00 0.00 0.00 175.10 176.23 1r3f s THR 284 N -0.15 1.38 0.04 3.92 -4.23 -0.43 -1.06 115.64 115.10 1r3f s THR 284 Ca 0.02 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1r3f s THR 284 Cb -0.13 -2.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 1r3f s THR 284 CO 0.03 -0.06 -0.07 -1.83 -0.54 0.00 0.00 174.62 172.15 1r3f s GLU 285 N -3.84 0.48 0.18 3.99 -1.05 0.17 -0.52 118.70 118.12 1r3f s GLU 285 Ca 0.35 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1r3f s GLU 285 Cb 0.08 -0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 1r3f s GLU 285 CO 0.15 0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.81 1r3f n GLY 286 N 1.59 -1.68 0.28 -3.83 0.00 -0.41 -1.96 105.19 99.19 1r3f n GLY 286 Ca -0.22 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.51 1r3f n GLY 286 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1r3f h GLU 287 N -0.70 0.31 -0.08 1.61 4.81 -2.00 -2.37 114.58 116.16 1r3f h GLU 287 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1r3f h GLU 287 Cb 0.69 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1r3f h GLU 287 CO 0.01 0.24 0.00 0.09 -0.73 0.00 0.00 179.01 178.62 1r3f n ASN 288 N -4.47 1.35 -3.54 1.04 3.02 -1.26 -4.95 115.26 106.45 1r3f n ASN 288 Ca 0.00 -1.54 -0.19 0.00 -0.03 0.00 0.00 54.58 52.82 1r3f n ASN 288 Cb 0.10 -0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.29 1r3f n ASN 288 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r3f n GLY 289 N 1.11 -0.34 3.68 7.41 0.00 -0.89 -4.92 105.19 111.23 1r3f n GLY 289 Ca 0.18 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1r3f n GLY 289 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r3f s LYS 290 N -5.63 4.28 0.07 1.61 2.20 -0.83 -4.68 119.74 116.78 1r3f s LYS 290 Ca 0.03 1.79 -0.31 0.00 -0.36 0.00 0.00 55.97 57.12 1r3f s LYS 290 Cb -0.01 -3.66 -0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1r3f s LYS 290 CO 0.76 -0.59 1.40 0.12 -0.36 0.00 0.00 175.35 176.67 1r3f s PHE 291 N 2.81 3.08 -0.34 4.03 5.36 -1.26 -0.65 117.98 131.00 1r3f s PHE 291 Ca 0.59 0.89 0.04 0.00 -0.96 0.00 0.00 56.93 57.49 1r3f s PHE 291 Cb -0.26 -3.68 0.00 0.00 -0.34 0.00 0.00 43.02 38.74 1r3f s PHE 291 CO 0.22 -2.42 0.43 0.44 -1.46 0.00 0.00 175.22 172.42 1r3f n ILE 292 N 4.22 0.00 0.00 3.12 -5.35 -0.23 -4.94 119.36 116.18 1r3f n ILE 292 Ca 0.12 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1r3f n ILE 292 Cb 0.43 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1r3f n ILE 292 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r3f n GLY 293 N 0.56 1.09 3.84 3.28 0.00 -1.19 -1.62 105.19 111.14 1r3f n GLY 293 Ca 0.02 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 1r3f n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r3f s MET 294 N -1.04 4.05 0.25 1.61 -1.94 0.82 -0.60 119.30 122.45 1r3f s MET 294 Ca 0.00 0.59 0.03 0.00 -1.71 0.00 0.00 55.69 54.61 1r3f s MET 294 Cb 0.00 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 33.91 1r3f s MET 294 CO 0.00 0.43 0.02 0.20 -0.01 0.00 0.00 175.02 175.66 1r3f s GLY 295 N -1.76 1.64 -0.06 -0.03 0.00 0.66 -0.93 107.32 106.86 1r3f s GLY 295 Ca 0.41 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.28 1r3f s GLY 295 CO 0.20 -1.67 0.13 1.85 0.00 0.00 0.00 173.10 173.60 1r3f s GLU 296 N -3.89 0.10 0.03 2.90 2.12 0.78 -0.40 118.70 120.33 1r3f s GLU 296 Ca 0.31 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.63 1r3f s GLU 296 Cb 0.06 -0.11 -0.07 0.00 0.26 0.00 0.00 34.13 34.27 1r3f s GLU 296 CO 0.10 -0.12 1.62 0.42 -0.54 0.00 0.00 175.26 176.74 1r3f s ILE 297 N 0.84 3.28 0.62 -3.70 -1.09 -0.82 -1.14 121.20 119.19 1r3f s ILE 297 Ca -0.06 0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1r3f s ILE 297 Cb -0.08 -3.40 0.12 0.00 -1.58 0.00 0.00 42.46 37.51 1r3f s ILE 297 CO -0.04 -0.02 0.85 -0.90 -1.23 0.00 0.00 174.94 173.60 1r3f n ASP 298 N 5.99 1.13 -0.30 3.58 3.85 -0.27 -4.53 116.55 126.00 1r3f n ASP 298 Ca 0.16 -1.95 0.11 0.00 -0.71 0.00 0.00 54.79 52.39 1r3f n ASP 298 Cb 0.42 -0.55 0.27 0.00 -1.35 0.00 0.00 41.12 39.90 1r3f n ASP 298 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1r3f h ASP 299 N -0.52 0.37 1.07 -1.12 5.19 -1.94 0.15 116.42 119.63 1r3f h ASP 299 Ca -0.28 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1r3f h ASP 299 Cb 1.03 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1r3f h ASP 299 CO 0.30 0.07 0.00 -0.62 -3.12 0.00 0.00 179.24 175.87 1r3f n GLU 300 N -4.99 0.19 -0.24 3.56 4.71 -1.26 -4.89 120.64 117.72 1r3f n GLU 300 Ca 0.20 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1r3f n GLU 300 Cb 0.56 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1r3f n GLU 300 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1r3f n GLY 301 N 0.74 0.88 3.94 0.62 0.00 0.53 -5.08 105.19 106.82 1r3f n GLY 301 Ca 0.04 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1r3f n GLY 301 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r3f s ARG 302 N -0.70 3.18 -0.45 1.61 0.52 -1.26 -4.76 118.95 117.09 1r3f s ARG 302 Ca 0.00 -0.24 -0.20 0.00 -0.52 0.00 0.00 55.73 54.77 1r3f s ARG 302 Cb 0.00 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 33.02 1r3f s ARG 302 CO 0.00 -0.29 0.61 0.08 0.02 0.00 0.00 175.30 175.72 1r3f s VAL 303 N -2.65 4.87 -0.06 3.52 1.01 0.99 -1.11 120.40 126.96 1r3f s VAL 303 Ca 0.48 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.26 1r3f s VAL 303 Cb -0.10 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1r3f s VAL 303 CO 0.40 -0.63 0.27 0.00 0.00 0.00 0.00 175.10 175.15 1r3f s ALA 304 N 2.69 3.79 0.15 5.51 0.00 -0.29 -2.00 121.76 131.60 1r3f s ALA 304 Ca 0.19 -0.44 -0.31 0.00 0.00 0.00 0.00 51.96 51.41 1r3f s ALA 304 Cb -0.16 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 1r3f s ALA 304 CO 0.17 0.54 1.35 -1.25 0.00 0.00 0.00 175.76 176.57 1r3f s PRO 305 N -1.02 4.35 -0.07 0.00 0.04 -1.26 -0.16 135.00 136.87 1r3f s PRO 305 Ca 0.19 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.26 1r3f s PRO 305 Cb -0.14 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1r3f s PRO 305 CO 0.08 -0.36 -0.09 0.54 0.04 0.00 0.00 177.00 177.22 1r3f n ARG 306 N 3.43 0.15 -3.49 4.56 5.12 -0.10 -4.86 116.66 121.47 1r3f n ARG 306 Ca 0.09 0.06 -0.25 0.00 -1.93 0.00 0.00 57.85 55.82 1r3f n ARG 306 Cb 0.43 -0.80 -0.13 0.00 -1.16 0.00 0.00 32.46 30.79 1r3f n ARG 306 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1r3f s ARG 307 N -2.13 0.27 0.50 5.56 3.52 -1.08 -4.98 118.95 120.61 1r3f s ARG 307 Ca -0.10 -0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 54.95 1r3f s ARG 307 Cb 0.04 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.37 1r3f s ARG 307 CO 0.13 -1.04 0.83 -0.51 -0.81 0.00 0.00 175.30 173.89 1r3f s LEU 308 N 2.08 3.57 0.14 -0.88 1.43 -1.26 -0.13 118.68 123.63 1r3f s LEU 308 Ca 0.10 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1r3f s LEU 308 Cb -0.16 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 1r3f s LEU 308 CO -0.32 -0.62 1.32 0.58 0.23 0.00 0.00 176.35 177.54 1r3f h VAL 309 N 0.18 1.51 -2.73 -1.59 2.07 -1.67 -3.45 116.25 110.57 1r3f h VAL 309 Ca -0.46 -2.76 -0.54 0.00 0.82 0.00 0.00 66.70 63.75 1r3f h VAL 309 Cb 1.20 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 1r3f h VAL 309 CO 0.62 0.80 -0.39 0.68 0.02 0.00 0.00 177.57 179.30 1r3f s VAL 310 N -3.07 5.26 0.45 2.57 -7.23 -1.26 -5.10 120.40 112.02 1r3f s VAL 310 Ca -0.03 -0.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.59 1r3f s VAL 310 Cb 0.09 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 1r3f s VAL 310 CO 0.84 -0.13 0.76 -1.61 -0.31 0.00 0.00 175.10 174.65 1r3f s GLU 311 N -3.25 3.60 0.34 4.82 2.02 -1.26 -5.06 118.70 119.90 1r3f s GLU 311 Ca 0.37 0.23 -0.26 0.00 0.02 0.00 0.00 54.97 55.33 1r3f s GLU 311 Cb -0.11 -2.41 -0.10 0.00 0.10 0.00 0.00 34.13 31.62 1r3f s GLU 311 CO 0.29 -0.13 0.97 0.71 0.02 0.00 0.00 175.26 177.12 1r3f s TYR 312 N -2.60 3.61 0.68 1.61 1.51 -1.26 -5.04 117.35 115.87 1r3f s TYR 312 Ca 0.48 1.75 -0.11 0.00 -1.01 0.00 0.00 57.07 58.18 1r3f s TYR 312 Cb -0.10 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 1r3f s TYR 312 CO 0.40 0.04 1.06 -1.25 -1.11 0.00 0.00 175.55 174.69 1r3f s PRO 313 N -2.13 3.01 0.00 -1.71 0.04 -1.26 -5.21 135.00 127.74 1r3f s PRO 313 Ca 0.51 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1r3f s PRO 313 Cb -0.19 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1r3f s PRO 313 CO 0.25 -1.04 0.11 0.00 0.04 0.00 0.00 177.00 176.36