#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfw s LYS 5 N 0.00 3.43 -0.23 0.00 1.02 -1.26 -4.76 119.74 117.94 1pfw s LYS 5 Ca 0.00 1.39 -0.05 0.00 0.02 0.00 0.00 55.97 57.33 1pfw s LYS 5 Cb 0.00 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1pfw s LYS 5 CO 0.00 -0.74 0.00 0.15 -0.92 0.00 0.00 175.35 173.84 1pfw s LYS 6 N -3.57 3.50 -0.05 1.68 1.02 -1.26 -0.38 119.74 120.68 1pfw s LYS 6 Ca 0.68 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.14 1pfw s LYS 6 Cb -0.19 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1pfw s LYS 6 CO 0.29 -0.17 -0.13 0.42 -0.92 0.00 0.00 175.35 174.84 1pfw s ILE 7 N 1.48 1.14 -0.23 2.17 1.01 0.53 -0.60 121.20 126.70 1pfw s ILE 7 Ca 0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 1pfw s ILE 7 Cb -0.15 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1pfw s ILE 7 CO -0.00 0.35 -0.08 -0.22 0.00 0.00 0.00 174.94 174.99 1pfw s LEU 8 N 0.45 2.89 -0.04 2.97 0.20 0.29 -0.30 118.68 125.14 1pfw s LEU 8 Ca -0.10 -0.63 0.06 0.00 0.69 0.00 0.00 54.13 54.14 1pfw s LEU 8 Cb -0.14 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 1pfw s LEU 8 CO 0.03 -0.06 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.11 1pfw s VAL 9 N 1.38 2.37 0.21 1.68 1.01 0.66 -1.03 120.40 126.68 1pfw s VAL 9 Ca 0.03 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1pfw s VAL 9 Cb -0.15 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1pfw s VAL 9 CO -0.05 0.58 -0.03 0.42 0.00 0.00 0.00 175.10 176.02 1pfw s THR 10 N -0.52 1.05 0.23 3.92 -4.23 -0.52 0.11 115.64 115.67 1pfw s THR 10 Ca 0.07 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 1pfw s THR 10 Cb -0.11 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 1pfw s THR 10 CO 0.01 -0.44 -0.20 0.00 -0.54 0.00 0.00 174.62 173.44 1pfw s ALA 12 N -2.25 2.92 -0.29 0.00 0.00 -1.12 -4.80 121.76 116.23 1pfw s ALA 12 Ca 0.24 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1pfw s ALA 12 Cb -0.05 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1pfw s ALA 12 CO 0.11 -1.29 1.22 -0.51 0.00 0.00 0.00 175.76 175.29 1pfw s LEU 13 N -3.31 3.94 0.35 0.00 1.43 -1.26 -4.86 118.68 114.97 1pfw s LEU 13 Ca 0.69 1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 54.73 1pfw s LEU 13 Cb -0.40 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.17 1pfw s LEU 13 CO 0.49 -0.97 1.41 -2.84 0.23 0.00 0.00 176.35 174.67 1pfw s PRO 14 N 3.90 4.23 0.30 1.29 0.02 -1.22 -4.26 135.00 139.27 1pfw s PRO 14 Ca 0.52 2.40 -0.29 0.00 0.02 0.00 0.00 61.00 63.65 1pfw s PRO 14 Cb -0.16 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 1pfw s PRO 14 CO 0.19 -0.38 1.42 0.71 -0.33 0.00 0.00 177.00 178.62 1pfw s TYR 15 N -1.04 2.93 -1.39 6.54 4.12 -1.26 -0.22 117.35 127.02 1pfw s TYR 15 Ca 0.52 1.15 0.22 0.00 0.02 0.00 0.00 57.07 58.98 1pfw s TYR 15 Cb -0.43 -3.83 1.10 0.00 -1.52 0.00 0.00 41.96 37.27 1pfw s TYR 15 CO 0.57 -2.55 1.71 0.00 0.02 0.00 0.00 175.55 175.30 1pfw n ALA 16 N 1.50 2.13 -1.00 3.71 0.00 -0.56 -3.59 120.51 122.70 1pfw n ALA 16 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pfw n ALA 16 Cb 0.40 -1.36 0.34 0.00 0.00 0.00 0.00 19.45 18.83 1pfw n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pfw n ASN 17 N -1.30 5.06 -3.67 0.00 6.94 -1.26 -4.76 115.26 116.26 1pfw n ASN 17 Ca 0.10 -3.11 -0.15 0.00 -0.02 0.00 0.00 54.58 51.40 1pfw n ASN 17 Cb 0.18 -0.70 -0.08 0.00 -2.36 0.00 0.00 39.78 36.82 1pfw n ASN 17 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1pfw s GLY 18 N -1.07 -0.33 0.55 4.83 0.00 -1.24 -5.12 107.32 104.95 1pfw s GLY 18 Ca 0.54 0.83 -0.17 0.00 0.00 0.00 0.00 44.72 45.91 1pfw s GLY 18 CO 0.14 0.57 1.05 -0.56 0.00 0.00 0.00 173.10 174.30 1pfw s SER 19 N -1.02 6.01 0.15 1.64 0.01 -1.26 -4.89 113.70 114.34 1pfw s SER 19 Ca -0.10 1.84 -0.30 0.00 1.31 0.00 0.00 55.95 58.69 1pfw s SER 19 Cb -0.03 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 1pfw s SER 19 CO 0.06 -1.01 1.29 -0.63 0.41 0.00 0.00 173.24 173.36 1pfw s ILE 20 N -2.30 3.43 0.49 1.44 -1.09 -1.26 -4.97 121.20 116.93 1pfw s ILE 20 Ca 0.65 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 1pfw s ILE 20 Cb -0.16 -3.71 -0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1pfw s ILE 20 CO 0.31 0.14 0.01 0.00 -1.23 0.00 0.00 174.94 174.17 1pfw n HIS 21 N 3.15 1.05 0.29 3.97 1.44 -1.26 -0.88 115.22 122.98 1pfw n HIS 21 Ca 0.08 -2.45 0.18 0.00 -2.01 0.00 0.00 57.72 53.52 1pfw n HIS 21 Cb 0.44 -0.30 0.98 0.00 0.12 0.00 0.00 29.99 31.23 1pfw n HIS 21 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1pfw h LEU 22 N 0.00 0.00 -0.07 2.39 3.38 -1.49 -1.64 115.31 117.88 1pfw h LEU 22 Ca -0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1pfw h LEU 22 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1pfw h LEU 22 CO 0.66 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 180.42 1pfw h GLY 23 N 0.00 0.13 0.95 0.83 0.00 -1.94 -2.46 103.07 100.58 1pfw h GLY 23 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1pfw h GLY 23 CO -0.00 0.09 0.25 0.45 0.00 0.00 0.00 176.54 177.33 1pfw h HIS 24 N -0.19 0.46 -0.52 5.60 3.86 -1.72 -2.85 115.15 119.80 1pfw h HIS 24 Ca 0.02 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1pfw h HIS 24 Cb 0.37 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 1pfw h HIS 24 CO 0.04 0.28 0.35 0.52 0.86 0.00 0.00 177.93 179.98 1pfw h MET 25 N 0.50 0.30 -0.42 2.45 2.07 -1.26 -1.43 114.93 117.14 1pfw h MET 25 Ca 0.15 -0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.78 1pfw h MET 25 Cb -0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.61 1pfw h MET 25 CO -0.06 0.20 0.24 1.25 1.07 0.00 0.00 176.91 179.62 1pfw h LEU 26 N 0.31 0.39 -0.08 1.22 5.85 -1.19 -0.14 115.31 121.67 1pfw h LEU 26 Ca 0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1pfw h LEU 26 Cb 0.53 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1pfw h LEU 26 CO -0.05 0.28 0.01 -0.08 -0.34 0.00 0.00 178.44 178.25 1pfw h GLU 27 N 0.49 0.14 -0.14 1.25 4.81 -1.35 -1.24 114.58 118.55 1pfw h GLU 27 Ca 0.17 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1pfw h GLU 27 Cb 0.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1pfw h GLU 27 CO -0.08 0.39 -0.32 0.45 -0.73 0.00 0.00 179.01 178.71 1pfw h HIS 28 N -0.12 0.32 -0.12 0.92 3.86 -1.30 -1.81 115.15 116.89 1pfw h HIS 28 Ca 0.02 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.02 1pfw h HIS 28 Cb 0.32 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.72 1pfw h HIS 28 CO 0.03 0.58 -0.46 0.82 0.86 0.00 0.00 177.93 179.75 1pfw h ILE 29 N 0.25 1.36 -0.35 2.45 2.04 -1.02 -1.36 117.51 120.87 1pfw h ILE 29 Ca 0.03 -1.76 0.03 0.00 1.00 0.00 0.00 64.86 64.16 1pfw h ILE 29 Cb 0.70 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1pfw h ILE 29 CO 0.05 0.53 0.16 -0.61 0.00 0.00 0.00 178.15 178.28 1pfw h GLN 30 N 0.15 0.32 -0.49 2.37 4.15 -1.04 -1.04 115.11 119.53 1pfw h GLN 30 Ca -0.02 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 1pfw h GLN 30 Cb 1.10 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 1pfw h GLN 30 CO 0.10 0.21 0.12 0.00 -1.93 0.00 0.00 178.83 177.32 1pfw h ALA 31 N 1.20 0.65 -0.83 3.38 0.00 -1.36 -2.78 119.26 119.53 1pfw h ALA 31 Ca 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pfw h ALA 31 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pfw h ALA 31 CO -0.13 0.34 0.46 0.22 0.00 0.00 0.00 179.25 180.14 1pfw h ASP 32 N 0.67 1.03 -0.30 0.00 3.58 -0.82 0.17 116.42 120.75 1pfw h ASP 32 Ca 0.15 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1pfw h ASP 32 Cb 0.34 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1pfw h ASP 32 CO 0.00 0.82 0.14 0.58 -2.88 0.00 0.00 179.24 177.91 1pfw h VAL 33 N 1.16 1.15 -0.45 2.25 2.07 -1.11 0.83 116.25 122.15 1pfw h VAL 33 Ca 0.29 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1pfw h VAL 33 Cb 0.02 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1pfw h VAL 33 CO -0.05 0.16 0.20 -0.25 0.02 0.00 0.00 177.57 177.65 1pfw h TRP 34 N 0.35 0.66 -0.31 1.57 7.01 -1.13 -1.61 115.95 122.49 1pfw h TRP 34 Ca 0.10 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1pfw h TRP 34 Cb 0.12 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1pfw h TRP 34 CO -0.02 0.56 0.16 0.28 -2.79 0.00 0.00 178.44 176.62 1pfw h VAL 35 N 0.58 1.15 -0.59 2.65 2.07 -0.49 -1.00 116.25 120.62 1pfw h VAL 35 Ca 0.15 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1pfw h VAL 35 Cb 0.16 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1pfw h VAL 35 CO -0.02 0.15 0.23 0.03 0.02 0.00 0.00 177.57 177.98 1pfw h ARG 36 N 0.38 0.87 -0.23 1.57 3.08 -0.68 -0.93 114.38 118.44 1pfw h ARG 36 Ca 0.11 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1pfw h ARG 36 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1pfw h ARG 36 CO -0.01 0.72 0.04 -0.92 -1.07 0.00 0.00 179.97 178.73 1pfw h TYR 37 N 0.86 0.41 -0.69 3.04 3.20 -0.98 -1.17 116.97 121.63 1pfw h TYR 37 Ca 0.20 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1pfw h TYR 37 Cb 0.19 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1pfw h TYR 37 CO 0.01 0.50 0.46 1.96 -1.64 0.00 0.00 178.16 179.45 1pfw h GLN 38 N 0.19 0.86 -0.34 1.82 1.08 -0.76 -0.91 115.11 117.05 1pfw h GLN 38 Ca 0.07 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 1pfw h GLN 38 Cb 0.31 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1pfw h GLN 38 CO 0.00 0.57 -0.27 0.00 -0.95 0.00 0.00 178.83 178.18 1pfw h ARG 39 N 0.88 0.70 0.00 1.46 3.08 -0.90 -2.62 114.38 116.99 1pfw h ARG 39 Ca 0.27 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1pfw h ARG 39 Cb -0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pfw h ARG 39 CO -0.07 0.89 -0.12 0.52 -1.07 0.00 0.00 179.97 180.12 1pfw h MET 40 N 0.60 0.00 -0.49 0.04 2.86 0.08 -1.76 114.93 116.26 1pfw h MET 40 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1pfw h MET 40 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1pfw h MET 40 CO 0.06 0.12 0.00 0.54 1.06 0.00 0.00 176.91 178.69 1pfw n ARG 41 N -3.80 2.22 -1.00 1.72 5.12 -0.78 -4.48 116.66 115.66 1pfw n ARG 41 Ca -0.02 -1.52 0.00 0.00 -1.93 0.00 0.00 57.85 54.38 1pfw n ARG 41 Cb 0.22 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1pfw n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pfw n GLY 42 N 0.95 0.46 3.90 -0.13 0.00 -0.66 -5.04 105.19 104.66 1pfw n GLY 42 Ca 0.14 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1pfw n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pfw s HIS 43 N -2.00 3.57 -0.44 1.61 3.76 -1.11 -4.78 115.29 115.90 1pfw s HIS 43 Ca 0.00 0.96 -0.24 0.00 -0.15 0.00 0.00 55.06 55.63 1pfw s HIS 43 Cb 0.00 -2.47 0.02 0.00 1.11 0.00 0.00 32.58 31.25 1pfw s HIS 43 CO 0.00 -0.45 0.81 -2.00 -0.85 0.00 0.00 174.74 172.25 1pfw s GLU 44 N -4.90 3.49 -0.06 1.40 2.12 0.49 -4.66 118.70 116.58 1pfw s GLU 44 Ca 0.50 0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.90 1pfw s GLU 44 Cb -0.11 -3.91 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 1pfw s GLU 44 CO 0.48 -1.09 -0.20 0.08 -0.54 0.00 0.00 175.26 173.99 1pfw s VAL 45 N 3.35 2.54 -0.27 3.70 1.01 -1.26 -0.35 120.40 129.12 1pfw s VAL 45 Ca 0.31 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1pfw s VAL 45 Cb -0.12 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.37 1pfw s VAL 45 CO 0.22 0.57 -0.02 0.20 0.00 0.00 0.00 175.10 176.08 1pfw s ASN 46 N -0.38 4.13 -0.39 3.32 0.01 0.58 -4.98 114.94 117.24 1pfw s ASN 46 Ca 0.03 -1.46 -0.18 0.00 -0.71 0.00 0.00 52.86 50.55 1pfw s ASN 46 Cb -0.12 -1.27 0.01 0.00 0.41 0.00 0.00 41.25 40.28 1pfw s ASN 46 CO 0.02 -0.28 0.47 0.12 -1.51 0.00 0.00 177.10 175.92 1pfw s PHE 47 N 1.29 3.16 -0.01 2.20 5.36 -1.26 -0.25 117.98 128.48 1pfw s PHE 47 Ca -0.01 -0.10 0.08 0.00 -0.96 0.00 0.00 56.93 55.94 1pfw s PHE 47 Cb -0.19 -2.93 -0.02 0.00 -0.34 0.00 0.00 43.02 39.55 1pfw s PHE 47 CO -0.09 -0.63 -0.26 0.42 -1.46 0.00 0.00 175.22 173.21 1pfw s ILE 48 N 2.29 2.03 0.27 3.12 -1.09 0.12 -0.21 121.20 127.72 1pfw s ILE 48 Ca 0.15 -1.12 -0.07 0.00 -2.23 0.00 0.00 60.65 57.38 1pfw s ILE 48 Cb -0.16 -1.68 0.03 0.00 -1.58 0.00 0.00 42.46 39.06 1pfw s ILE 48 CO 0.14 0.55 0.49 0.00 -1.23 0.00 0.00 174.94 174.89 1pfw n ALA 50 N -1.29 0.00 -2.21 0.00 0.00 -1.26 -1.57 120.51 114.18 1pfw n ALA 50 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 1pfw n ALA 50 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1pfw n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pfw s ASP 51 N 0.00 7.05 -0.63 0.00 1.11 -1.03 -3.38 116.67 119.80 1pfw s ASP 51 Ca 0.00 1.31 -0.21 0.00 0.18 0.00 0.00 52.55 53.83 1pfw s ASP 51 Cb 0.00 -2.38 0.08 0.00 1.07 0.00 0.00 42.92 41.70 1pfw s ASP 51 CO 0.00 0.17 0.84 -0.62 1.18 0.00 0.00 175.17 176.74 1pfw s ASP 52 N -1.38 6.18 0.00 0.27 -1.08 0.69 -1.69 116.67 119.65 1pfw s ASP 52 Ca 0.35 -1.18 0.16 0.00 -0.52 0.00 0.00 52.55 51.36 1pfw s ASP 52 Cb -0.18 -2.37 0.34 0.00 -1.46 0.00 0.00 42.92 39.26 1pfw s ASP 52 CO 0.20 -1.29 1.26 0.00 0.52 0.00 0.00 175.17 175.86 1pfw n ALA 53 N 7.08 2.33 -2.16 3.66 0.00 -1.26 -1.50 120.51 128.66 1pfw n ALA 53 Ca -0.06 -1.02 -0.20 0.00 0.00 0.00 0.00 53.44 52.16 1pfw n ALA 53 Cb 0.44 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1pfw n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pfw s HIS 54 N -1.12 2.45 0.00 0.00 3.76 -1.26 -4.94 115.29 114.19 1pfw s HIS 54 Ca 0.29 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1pfw s HIS 54 Cb 0.16 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.65 1pfw s HIS 54 CO 0.22 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1pfw n GLY 55 N -1.74 3.15 0.23 -2.22 0.00 -0.53 -4.74 105.19 99.34 1pfw n GLY 55 Ca 0.06 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1pfw n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pfw h THR 56 N 0.02 1.23 -0.71 2.61 2.02 -1.94 -1.90 112.91 114.24 1pfw h THR 56 Ca 0.00 -0.79 0.10 0.00 0.77 0.00 0.00 66.41 66.49 1pfw h THR 56 Cb 0.00 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 1pfw h THR 56 CO 0.00 0.28 0.34 -0.65 0.37 0.00 0.00 175.52 175.86 1pfw h PRO 57 N 0.62 0.55 -0.25 6.66 0.11 -2.00 -0.21 132.00 137.48 1pfw h PRO 57 Ca 0.15 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1pfw h PRO 57 Cb 0.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1pfw h PRO 57 CO -0.00 0.36 -0.00 0.82 -0.21 0.00 0.00 178.00 178.97 1pfw h ILE 58 N 0.57 1.26 -0.38 4.15 2.04 -1.82 -1.29 117.51 122.04 1pfw h ILE 58 Ca 0.36 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1pfw h ILE 58 Cb 0.40 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1pfw h ILE 58 CO -0.29 0.29 0.13 -0.03 0.00 0.00 0.00 178.15 178.25 1pfw h MET 59 N 0.22 0.28 -0.55 2.37 4.05 -0.65 -1.22 114.93 119.43 1pfw h MET 59 Ca 0.07 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.37 1pfw h MET 59 Cb 0.42 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1pfw h MET 59 CO 0.01 0.18 -0.06 -0.07 0.23 0.00 0.00 176.91 177.21 1pfw h LEU 60 N 0.29 0.99 -0.55 3.39 3.38 -1.00 -2.14 115.31 119.67 1pfw h LEU 60 Ca 0.17 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1pfw h LEU 60 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1pfw h LEU 60 CO -0.18 1.08 0.14 0.50 0.09 0.00 0.00 178.44 180.07 1pfw h LYS 61 N 0.91 0.87 -0.60 1.13 3.64 -0.89 -0.91 116.57 120.72 1pfw h LYS 61 Ca 0.15 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1pfw h LYS 61 Cb 0.61 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1pfw h LYS 61 CO 0.04 0.81 0.39 0.00 -2.27 0.00 0.00 179.45 178.42 1pfw h ALA 62 N 1.02 0.77 -0.74 5.00 0.00 -1.10 -1.13 119.26 123.09 1pfw h ALA 62 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pfw h ALA 62 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1pfw h ALA 62 CO 0.00 0.15 0.35 1.96 0.00 0.00 0.00 179.25 181.71 1pfw h GLN 63 N 0.77 1.05 -0.23 0.00 4.20 -1.03 -1.43 115.11 118.44 1pfw h GLN 63 Ca 0.23 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1pfw h GLN 63 Cb -0.04 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1pfw h GLN 63 CO -0.07 0.82 0.07 1.96 -0.67 0.00 0.00 178.83 180.93 1pfw h GLN 64 N 1.04 0.36 0.00 1.46 4.20 -0.47 -2.57 115.11 119.14 1pfw h GLN 64 Ca 0.25 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1pfw h GLN 64 Cb 0.12 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1pfw h GLN 64 CO -0.03 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 179.86 1pfw n LEU 65 N -4.76 0.22 -0.98 1.46 7.99 -0.49 -4.89 117.00 115.55 1pfw n LEU 65 Ca -0.03 0.55 -0.07 0.00 -0.01 0.00 0.00 56.01 56.45 1pfw n LEU 65 Cb 0.16 -0.52 0.01 0.00 -0.11 0.00 0.00 43.42 42.96 1pfw n LEU 65 CO 0.36 -0.33 -0.02 0.61 -1.51 0.00 0.00 177.39 176.50 1pfw n GLY 66 N 0.11 0.27 3.13 -0.72 0.00 -0.61 -5.05 105.19 102.32 1pfw n GLY 66 Ca 0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1pfw n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pfw s ILE 67 N -2.61 0.38 0.60 -0.61 -4.36 -0.75 -5.04 121.20 108.82 1pfw s ILE 67 Ca 0.07 -1.87 -0.17 0.00 -0.26 0.00 0.00 60.65 58.41 1pfw s ILE 67 Cb -0.03 -1.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 1pfw s ILE 67 CO 0.08 -0.86 1.14 0.42 0.24 0.00 0.00 174.94 175.97 1pfw s THR 68 N -3.83 3.03 0.35 8.37 -4.23 -1.26 -4.10 115.64 113.97 1pfw s THR 68 Ca 0.12 0.57 0.03 0.00 -1.18 0.00 0.00 61.69 61.24 1pfw s THR 68 Cb 0.07 -3.16 0.22 0.00 1.34 0.00 0.00 72.50 70.97 1pfw s THR 68 CO -0.06 -0.20 1.96 -0.65 -0.54 0.00 0.00 174.62 175.13 1pfw h PRO 69 N 0.64 0.68 -0.62 3.99 0.11 -1.91 -2.02 132.00 132.87 1pfw h PRO 69 Ca -0.49 -0.08 0.03 0.00 0.11 0.00 0.00 66.00 65.57 1pfw h PRO 69 Cb 1.27 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1pfw h PRO 69 CO 0.55 0.53 0.38 0.93 -0.21 0.00 0.00 178.00 180.18 1pfw h GLU 70 N 0.68 0.72 -0.32 1.05 3.07 -1.98 0.39 114.58 118.20 1pfw h GLU 70 Ca 0.17 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 1pfw h GLU 70 Cb 0.07 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1pfw h GLU 70 CO -0.02 0.48 0.01 0.37 -1.40 0.00 0.00 179.01 178.45 1pfw h GLN 71 N 0.75 0.56 -0.27 2.33 4.15 -1.76 -1.38 115.11 119.48 1pfw h GLN 71 Ca 0.25 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1pfw h GLN 71 Cb 0.02 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1pfw h GLN 71 CO -0.10 0.68 0.13 1.98 -1.93 0.00 0.00 178.83 179.59 1pfw h MET 72 N 0.36 0.38 -0.01 1.69 4.05 -1.00 -1.44 114.93 118.97 1pfw h MET 72 Ca 0.09 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 1pfw h MET 72 Cb 0.42 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1pfw h MET 72 CO 0.01 0.37 -0.46 -0.84 0.23 0.00 0.00 176.91 176.23 1pfw h ILE 73 N 0.30 1.33 -0.61 1.77 3.07 -0.95 -1.77 117.51 120.65 1pfw h ILE 73 Ca 0.09 -1.57 -0.07 0.00 1.55 0.00 0.00 64.86 64.86 1pfw h ILE 73 Cb 0.11 1.84 -0.02 0.00 -0.27 0.00 0.00 36.82 38.48 1pfw h ILE 73 CO -0.01 0.45 0.10 1.23 -1.05 0.00 0.00 178.15 178.87 1pfw h GLY 74 N 1.37 1.09 0.98 0.16 0.00 -0.88 0.36 103.07 106.16 1pfw h GLY 74 Ca -0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 46.50 1pfw h GLY 74 CO 0.06 0.67 -0.20 0.83 0.00 0.00 0.00 176.54 177.90 1pfw h GLU 75 N 0.92 0.75 -0.24 4.80 5.08 -0.98 -2.61 114.58 122.30 1pfw h GLU 75 Ca 0.19 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1pfw h GLU 75 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1pfw h GLU 75 CO 0.01 0.96 -0.23 0.52 -1.00 0.00 0.00 179.01 179.27 1pfw h MET 76 N 0.54 0.45 -0.61 2.33 2.86 -1.17 -1.47 114.93 117.86 1pfw h MET 76 Ca 0.07 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1pfw h MET 76 Cb 0.75 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1pfw h MET 76 CO 0.06 0.66 0.28 1.03 1.06 0.00 0.00 176.91 179.99 1pfw h SER 77 N 0.41 0.81 -0.61 1.22 0.87 -0.81 0.11 113.55 115.55 1pfw h SER 77 Ca 0.06 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 1pfw h SER 77 Cb 0.63 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1pfw h SER 77 CO 0.04 0.73 0.05 1.56 -0.53 0.00 0.00 176.83 178.69 1pfw h GLN 78 N 0.84 1.04 -0.18 2.24 1.08 -1.16 -1.23 115.11 117.74 1pfw h GLN 78 Ca 0.21 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1pfw h GLN 78 Cb 0.15 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1pfw h GLN 78 CO -0.02 1.00 0.06 1.49 -0.95 0.00 0.00 178.83 180.40 1pfw h GLU 79 N 0.94 0.27 -0.26 1.46 4.81 -0.84 -1.20 114.58 119.77 1pfw h GLU 79 Ca 0.18 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1pfw h GLU 79 Cb 0.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1pfw h GLU 79 CO 0.02 0.38 0.10 0.45 -0.73 0.00 0.00 179.01 179.23 1pfw h HIS 80 N 0.12 0.19 -0.18 0.92 3.86 -0.66 -1.93 115.15 117.47 1pfw h HIS 80 Ca 0.06 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 1pfw h HIS 80 Cb 0.21 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1pfw h HIS 80 CO -0.00 0.10 -0.17 1.96 0.86 0.00 0.00 177.93 180.67 1pfw h GLN 81 N 0.23 0.31 -0.52 2.45 4.20 -1.12 -0.90 115.11 119.75 1pfw h GLN 81 Ca 0.11 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1pfw h GLN 81 Cb 0.06 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1pfw h GLN 81 CO -0.10 0.48 -0.01 1.15 -0.67 0.00 0.00 178.83 179.68 1pfw h THR 82 N 0.29 1.26 -0.20 -0.54 2.02 -0.86 -0.03 112.91 114.85 1pfw h THR 82 Ca 0.05 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 1pfw h THR 82 Cb 0.48 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1pfw h THR 82 CO 0.03 0.39 -0.02 0.44 0.37 0.00 0.00 175.52 176.74 1pfw h ASP 83 N 0.80 0.36 -0.41 4.18 3.45 -0.93 -1.34 116.42 122.52 1pfw h ASP 83 Ca 0.15 -0.33 -0.06 0.00 0.43 0.00 0.00 57.03 57.22 1pfw h ASP 83 Cb 0.54 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 1pfw h ASP 83 CO 0.03 0.60 0.06 -0.26 -1.57 0.00 0.00 179.24 178.10 1pfw h PHE 84 N 0.10 0.79 -0.53 4.55 0.05 -1.12 -2.01 116.94 118.78 1pfw h PHE 84 Ca 0.05 -0.09 -0.06 0.00 3.82 0.00 0.00 57.97 61.70 1pfw h PHE 84 Cb 0.43 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 38.13 1pfw h PHE 84 CO 0.04 0.71 0.09 0.00 -0.18 0.00 0.00 178.31 178.97 1pfw h ALA 85 N 1.34 1.17 0.00 2.45 0.00 -0.86 -1.78 119.26 121.57 1pfw h ALA 85 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pfw h ALA 85 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pfw h ALA 85 CO 0.01 0.56 -0.09 0.78 0.00 0.00 0.00 179.25 180.51 1pfw h GLY 86 N 0.97 0.00 -2.51 0.00 0.00 -0.50 -0.68 103.07 100.35 1pfw h GLY 86 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1pfw h GLY 86 CO 0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.24 1pfw n PHE 87 N -3.54 0.78 -3.68 5.60 3.01 -0.74 -4.59 117.46 114.30 1pfw n PHE 87 Ca -0.02 -0.40 -0.23 0.00 1.01 0.00 0.00 57.45 57.81 1pfw n PHE 87 Cb 0.22 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.74 1pfw n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pfw n ASN 88 N 1.56 -3.39 -4.59 4.37 3.02 -0.26 -4.93 115.26 111.03 1pfw n ASN 88 Ca 0.22 -0.71 -0.43 0.00 -0.03 0.00 0.00 54.58 53.63 1pfw n ASN 88 Cb 0.61 -4.44 -0.03 0.00 -0.61 0.00 0.00 39.78 35.31 1pfw n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pfw s ILE 89 N -3.44 4.42 -0.85 2.41 -1.09 -0.80 -4.93 121.20 116.91 1pfw s ILE 89 Ca 0.30 1.11 -0.08 0.00 -2.23 0.00 0.00 60.65 59.76 1pfw s ILE 89 Cb -0.14 -4.46 -0.15 0.00 -1.58 0.00 0.00 42.46 36.13 1pfw s ILE 89 CO 0.78 -0.78 3.02 -1.54 -1.23 0.00 0.00 174.94 175.19 1pfw n SER 90 N 7.25 6.60 -4.75 3.58 3.41 -1.26 -4.74 113.62 123.71 1pfw n SER 90 Ca 0.09 -2.46 -0.38 0.00 -0.26 0.00 0.00 58.87 55.86 1pfw n SER 90 Cb 0.48 -1.39 0.03 0.00 -0.26 0.00 0.00 64.21 63.08 1pfw n SER 90 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1pfw s TYR 91 N 1.91 2.43 -0.20 7.33 1.51 -1.26 -4.80 117.35 124.27 1pfw s TYR 91 Ca 0.62 1.42 0.20 0.00 -1.01 0.00 0.00 57.07 58.30 1pfw s TYR 91 Cb 0.22 -3.69 -0.03 0.00 -0.11 0.00 0.00 41.96 38.34 1pfw s TYR 91 CO -0.03 -2.54 1.00 -0.44 -1.11 0.00 0.00 175.55 172.43 1pfw h ASP 92 N 1.60 0.00 -3.57 2.29 3.32 -0.97 -3.47 116.42 115.61 1pfw h ASP 92 Ca -0.50 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1pfw h ASP 92 Cb 1.29 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.62 1pfw h ASP 92 CO 0.58 0.24 0.14 0.21 -1.72 0.00 0.00 179.24 178.69 1pfw s ASN 93 N -5.61 -0.77 -0.25 6.45 3.04 -1.17 -5.02 114.94 111.61 1pfw s ASN 93 Ca -0.01 1.39 -0.01 0.00 0.04 0.00 0.00 52.86 54.27 1pfw s ASN 93 Cb 0.09 1.38 0.07 0.00 -1.54 0.00 0.00 41.25 41.25 1pfw s ASN 93 CO 0.79 -0.23 0.02 -0.47 -3.04 0.00 0.00 177.10 174.17 1pfw s TYR 94 N 0.77 1.84 0.00 0.43 5.04 -1.26 -2.09 117.35 122.08 1pfw s TYR 94 Ca -0.03 -1.52 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 1pfw s TYR 94 Cb -0.05 -1.50 0.00 0.00 0.35 0.00 0.00 41.96 40.76 1pfw s TYR 94 CO -0.07 -0.76 0.00 1.58 -1.34 0.00 0.00 175.55 174.97 1pfw n HIS 95 N 4.82 0.00 -3.67 4.97 -0.00 -0.61 -4.90 115.22 115.84 1pfw n HIS 95 Ca -0.08 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 57.96 1pfw n HIS 95 Cb 0.44 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.24 1pfw n HIS 95 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1pfw s SER 96 N 0.09 -0.33 0.33 0.26 0.15 -1.26 -2.46 113.70 110.48 1pfw s SER 96 Ca 0.00 0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.10 1pfw s SER 96 Cb 0.00 0.40 0.87 0.00 -1.71 0.00 0.00 66.02 65.59 1pfw s SER 96 CO 0.00 -0.56 1.76 0.71 1.20 0.00 0.00 173.24 176.35 1pfw h THR 97 N 3.35 0.00 -3.16 6.45 1.35 -1.68 -3.34 112.91 115.88 1pfw h THR 97 Ca -0.30 -0.51 -0.77 0.00 -0.55 0.00 0.00 66.41 64.29 1pfw h THR 97 Cb 1.18 1.43 -0.24 0.00 -1.73 0.00 0.00 68.15 68.79 1pfw h THR 97 CO 0.41 0.00 0.62 -2.28 -0.25 0.00 0.00 175.52 174.02 1pfw s HIS 98 N -3.28 3.82 0.15 4.73 5.65 -1.26 -4.67 115.29 120.41 1pfw s HIS 98 Ca 0.06 -2.22 -0.16 0.00 0.25 0.00 0.00 55.06 52.99 1pfw s HIS 98 Cb 0.09 -4.00 0.03 0.00 -1.18 0.00 0.00 32.58 27.53 1pfw s HIS 98 CO 0.54 -1.13 0.44 -1.54 -0.65 0.00 0.00 174.74 172.39 1pfw s SER 99 N 2.18 -0.24 0.27 9.88 1.04 -1.25 -5.04 113.70 120.54 1pfw s SER 99 Ca 0.30 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 1pfw s SER 99 Cb -0.08 0.51 0.38 0.00 0.10 0.00 0.00 66.02 66.93 1pfw s SER 99 CO -0.07 -0.91 1.77 -0.08 0.98 0.00 0.00 173.24 174.93 1pfw h GLU 100 N 2.31 0.70 -0.25 4.02 4.57 -1.93 -0.87 114.58 123.12 1pfw h GLU 100 Ca -0.33 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1pfw h GLU 100 Cb 1.26 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1pfw h GLU 100 CO 0.44 0.75 0.15 0.93 -1.18 0.00 0.00 179.01 180.09 1pfw h GLU 101 N 0.65 0.35 -0.22 1.92 3.07 -1.95 -1.10 114.58 117.30 1pfw h GLU 101 Ca 0.12 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.84 1pfw h GLU 101 Cb 0.48 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1pfw h GLU 101 CO 0.02 0.29 -0.33 -0.97 -1.40 0.00 0.00 179.01 176.63 1pfw h ASN 102 N 0.31 0.46 -0.22 1.42 -0.00 -1.79 -1.97 115.58 113.79 1pfw h ASN 102 Ca 0.09 -0.18 -0.01 0.00 -0.00 0.00 0.00 56.30 56.20 1pfw h ASN 102 Cb 0.04 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 1pfw h ASN 102 CO -0.02 0.76 0.08 -0.09 -0.00 0.00 0.00 177.43 178.17 1pfw h ARG 103 N 0.38 0.33 -0.66 6.67 2.43 -0.81 0.78 114.38 123.51 1pfw h ARG 103 Ca 0.05 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1pfw h ARG 103 Cb 0.76 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1pfw h ARG 103 CO 0.06 0.40 0.08 1.96 -1.51 0.00 0.00 179.97 180.96 1pfw h GLN 104 N 0.19 1.12 -0.17 0.20 4.20 -1.11 -1.54 115.11 117.99 1pfw h GLN 104 Ca 0.07 -0.31 -0.14 0.00 0.06 0.00 0.00 58.65 58.33 1pfw h GLN 104 Cb 0.20 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1pfw h GLN 104 CO -0.00 1.03 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.63 1pfw h LEU 105 N 1.04 0.49 -0.40 1.46 3.38 -1.26 -0.35 115.31 119.67 1pfw h LEU 105 Ca 0.20 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1pfw h LEU 105 Cb 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1pfw h LEU 105 CO 0.02 0.90 -0.15 0.28 0.09 0.00 0.00 178.44 179.58 1pfw h SER 106 N 0.36 0.82 -0.55 -0.43 0.02 -0.66 -0.57 113.55 112.54 1pfw h SER 106 Ca 0.02 -0.39 -0.10 0.00 -0.84 0.00 0.00 61.79 60.48 1pfw h SER 106 Cb 0.99 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1pfw h SER 106 CO 0.09 1.03 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.44 1pfw h GLU 107 N 0.62 1.02 0.26 3.45 5.08 -1.19 -1.42 114.58 122.40 1pfw h GLU 107 Ca 0.09 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1pfw h GLU 107 Cb 0.69 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1pfw h GLU 107 CO 0.05 1.02 -0.12 1.25 -1.00 0.00 0.00 179.01 180.21 1pfw h LEU 108 N 0.93 -0.29 -0.62 1.33 5.85 -0.88 -1.13 115.31 120.49 1pfw h LEU 108 Ca 0.16 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1pfw h LEU 108 Cb 0.58 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1pfw h LEU 108 CO 0.04 -0.08 0.41 0.40 -0.34 0.00 0.00 178.44 178.87 1pfw h ILE 109 N -0.49 1.16 -0.53 4.05 2.04 -1.08 -1.30 117.51 121.35 1pfw h ILE 109 Ca -0.04 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1pfw h ILE 109 Cb 0.37 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1pfw h ILE 109 CO 0.06 0.16 0.32 0.22 0.00 0.00 0.00 178.15 178.91 1pfw h TYR 110 N 0.85 0.70 -0.88 1.37 3.20 -1.20 -0.38 116.97 120.63 1pfw h TYR 110 Ca 0.23 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1pfw h TYR 110 Cb -0.09 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 37.91 1pfw h TYR 110 CO -0.03 0.48 0.47 0.66 -1.64 0.00 0.00 178.16 178.10 1pfw h SER 111 N 0.71 1.10 -0.37 -2.11 4.64 -0.77 0.37 113.55 117.12 1pfw h SER 111 Ca 0.19 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 1pfw h SER 111 Cb -0.02 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 1pfw h SER 111 CO -0.04 0.89 -0.33 0.03 -0.87 0.00 0.00 176.83 176.52 1pfw h ARG 112 N 1.23 0.91 -0.65 4.77 3.08 -0.86 -0.03 114.38 122.83 1pfw h ARG 112 Ca 0.31 -0.44 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 1pfw h ARG 112 Cb 0.04 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1pfw h ARG 112 CO -0.05 1.10 0.07 -0.07 -1.07 0.00 0.00 179.97 179.95 1pfw h LEU 113 N 0.76 1.06 -0.24 3.04 3.38 -0.64 0.22 115.31 122.89 1pfw h LEU 113 Ca 0.08 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1pfw h LEU 113 Cb 0.90 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1pfw h LEU 113 CO 0.08 1.06 -0.10 0.50 0.09 0.00 0.00 178.44 180.08 1pfw h LYS 114 N 1.02 0.48 -0.33 1.13 3.64 -0.79 0.18 116.57 121.90 1pfw h LYS 114 Ca 0.19 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1pfw h LYS 114 Cb 0.48 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1pfw h LYS 114 CO 0.02 0.74 0.08 1.49 -2.27 0.00 0.00 179.45 179.51 1pfw h GLU 115 N 0.21 0.48 -0.04 1.90 4.81 -0.86 -1.79 114.58 119.28 1pfw h GLU 115 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pfw h GLU 115 Cb 0.59 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1pfw h GLU 115 CO 0.03 0.44 0.00 0.09 -0.73 0.00 0.00 179.01 178.84 1pfw n ASN 116 N -4.36 0.66 -0.16 1.04 5.03 0.05 -4.91 115.26 112.61 1pfw n ASN 116 Ca 0.02 -1.38 -0.02 0.00 0.87 0.00 0.00 54.58 54.07 1pfw n ASN 116 Cb 0.18 -0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 38.91 1pfw n ASN 116 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pfw n GLY 117 N 1.00 0.45 1.25 7.41 0.00 -0.67 -4.95 105.19 109.67 1pfw n GLY 117 Ca 0.18 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.37 1pfw n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pfw n PHE 118 N -3.29 0.78 -4.27 1.61 0.99 0.59 -4.88 117.46 108.99 1pfw n PHE 118 Ca -0.02 -0.41 -0.33 0.00 -0.00 0.00 0.00 57.45 56.69 1pfw n PHE 118 Cb 0.21 -0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 38.53 1pfw n PHE 118 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1pfw s ILE 119 N -1.17 2.60 -0.00 4.37 -1.09 -1.24 -0.56 121.20 124.11 1pfw s ILE 119 Ca 0.44 -0.77 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1pfw s ILE 119 Cb 0.24 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.97 1pfw s ILE 119 CO 0.32 0.50 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.84 1pfw s LYS 120 N 1.11 2.30 -0.13 2.79 -0.14 0.30 -4.92 119.74 121.04 1pfw s LYS 120 Ca 0.00 -0.84 -0.13 0.00 -1.36 0.00 0.00 55.97 53.64 1pfw s LYS 120 Cb -0.14 -2.29 -0.05 0.00 -1.68 0.00 0.00 37.83 33.67 1pfw s LYS 120 CO -0.05 0.58 0.30 -0.80 -0.76 0.00 0.00 175.35 174.62 1pfw s ASN 121 N -1.12 6.49 -0.12 2.83 0.01 -1.26 0.15 114.94 121.92 1pfw s ASN 121 Ca 0.13 0.57 -0.10 0.00 -0.71 0.00 0.00 52.86 52.76 1pfw s ASN 121 Cb -0.11 -2.18 0.03 0.00 0.41 0.00 0.00 41.25 39.40 1pfw s ASN 121 CO 0.03 0.15 0.31 -0.60 -1.51 0.00 0.00 177.10 175.49 1pfw s ARG 122 N 0.13 0.35 -0.07 -0.60 3.52 -0.10 -4.99 118.95 117.20 1pfw s ARG 122 Ca 0.18 0.46 -0.18 0.00 -0.13 0.00 0.00 55.73 56.06 1pfw s ARG 122 Cb -0.13 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.34 1pfw s ARG 122 CO 0.05 -0.06 0.49 0.99 -0.81 0.00 0.00 175.30 175.96 1pfw s THR 123 N 0.34 5.09 0.21 4.11 2.01 -1.26 0.10 115.64 126.23 1pfw s THR 123 Ca -0.01 1.00 0.06 0.00 0.31 0.00 0.00 61.69 63.04 1pfw s THR 123 Cb -0.03 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1pfw s THR 123 CO -0.01 0.40 -0.10 0.27 -0.69 0.00 0.00 174.62 174.49 1pfw s ILE 124 N 0.07 1.52 -0.11 1.82 -4.36 -0.27 -4.94 121.20 114.93 1pfw s ILE 124 Ca 0.27 -2.14 -0.01 0.00 -0.26 0.00 0.00 60.65 58.51 1pfw s ILE 124 Cb -0.16 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.40 1pfw s ILE 124 CO 0.12 -0.53 -0.09 -0.55 0.24 0.00 0.00 174.94 174.13 1pfw s SER 125 N -3.31 4.42 -0.01 4.36 0.15 -1.26 -1.18 113.70 116.86 1pfw s SER 125 Ca 0.23 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 1pfw s SER 125 Cb 0.02 -1.46 0.03 0.00 -1.71 0.00 0.00 66.02 62.89 1pfw s SER 125 CO 0.07 0.24 0.33 -1.58 1.20 0.00 0.00 173.24 173.49 1pfw s GLN 126 N -0.07 0.70 0.27 5.44 0.74 -0.43 -4.93 119.66 121.38 1pfw s GLN 126 Ca -0.00 -0.20 -0.31 0.00 0.05 0.00 0.00 55.36 54.90 1pfw s GLN 126 Cb -0.14 0.31 -0.12 0.00 1.10 0.00 0.00 33.01 34.16 1pfw s GLN 126 CO 0.03 -0.20 1.50 1.28 -0.55 0.00 0.00 175.29 177.36 1pfw n LEU 127 N 1.19 3.73 -4.00 3.68 4.77 -1.26 -1.53 117.00 123.57 1pfw n LEU 127 Ca -0.21 1.14 -0.21 0.00 -0.03 0.00 0.00 56.01 56.70 1pfw n LEU 127 Cb 0.56 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 39.98 1pfw n LEU 127 CO 0.22 -0.17 -0.44 -0.47 -1.33 0.00 0.00 177.39 175.20 1pfw s TYR 128 N -0.02 1.05 -0.54 -1.77 5.04 0.21 -1.26 117.35 120.07 1pfw s TYR 128 Ca 0.66 -0.29 -0.21 0.00 -2.44 0.00 0.00 57.07 54.80 1pfw s TYR 128 Cb -0.57 -0.76 0.06 0.00 0.35 0.00 0.00 41.96 41.03 1pfw s TYR 128 CO 0.49 -0.13 0.75 0.34 -1.34 0.00 0.00 175.55 175.65 1pfw s ASP 129 N 0.30 6.25 0.49 4.32 -1.08 0.25 -0.78 116.67 126.42 1pfw s ASP 129 Ca -0.05 -0.82 0.28 0.00 -0.52 0.00 0.00 52.55 51.44 1pfw s ASP 129 Cb -0.10 -2.34 1.18 0.00 -1.46 0.00 0.00 42.92 40.19 1pfw s ASP 129 CO 0.01 -1.05 1.93 1.55 0.52 0.00 0.00 175.17 178.13 1pfw h PRO 130 N 9.15 0.00 0.04 4.34 0.13 -1.85 0.72 132.00 144.52 1pfw h PRO 130 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1pfw h PRO 130 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pfw h PRO 130 CO 1.03 0.14 -0.02 1.49 -0.23 0.00 0.00 178.00 180.42 1pfw h GLU 131 N 0.00 -0.05 -0.08 0.86 4.81 -1.92 -3.32 114.58 114.89 1pfw h GLU 131 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1pfw h GLU 131 Cb 0.59 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1pfw h GLU 131 CO 0.02 0.40 -0.55 -0.22 -0.73 0.00 0.00 179.01 177.93 1pfw h LYS 132 N -0.98 0.23 -2.43 1.92 1.63 -1.98 -3.48 116.57 111.48 1pfw h LYS 132 Ca -0.01 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1pfw h LYS 132 Cb 0.47 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1pfw h LYS 132 CO 0.01 0.71 -0.03 0.41 -3.45 0.00 0.00 179.45 177.10 1pfw n GLY 133 N 0.13 0.54 3.42 5.01 0.00 0.24 -5.07 105.19 109.46 1pfw n GLY 133 Ca -0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1pfw n GLY 133 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1pfw s MET 134 N -3.75 0.92 0.42 1.61 0.23 -0.78 -4.53 119.30 113.41 1pfw s MET 134 Ca 0.01 0.12 -0.24 0.00 -1.03 0.00 0.00 55.69 54.54 1pfw s MET 134 Cb -0.00 0.43 -0.08 0.00 -1.53 0.00 0.00 34.83 33.64 1pfw s MET 134 CO 0.03 -0.27 1.10 -0.06 -2.03 0.00 0.00 175.02 173.78 1pfw s PHE 135 N -1.20 3.12 -0.21 3.16 0.40 -1.26 -0.58 117.98 121.41 1pfw s PHE 135 Ca -0.12 1.60 -0.06 0.00 -0.60 0.00 0.00 56.93 57.75 1pfw s PHE 135 Cb -0.02 -3.24 -0.03 0.00 0.51 0.00 0.00 43.02 40.24 1pfw s PHE 135 CO 0.08 -0.98 0.03 -0.51 0.70 0.00 0.00 175.22 174.53 1pfw s LEU 136 N -2.74 3.41 0.77 -0.37 1.43 -0.39 -4.86 118.68 115.94 1pfw s LEU 136 Ca 0.59 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1pfw s LEU 136 Cb -0.25 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.15 1pfw s LEU 136 CO 0.31 0.06 1.10 -2.84 0.23 0.00 0.00 176.35 175.20 1pfw s PRO 137 N 1.06 2.21 0.22 1.29 0.02 -1.26 -4.64 135.00 133.89 1pfw s PRO 137 Ca 0.03 1.21 -0.11 0.00 0.02 0.00 0.00 61.00 62.15 1pfw s PRO 137 Cb -0.14 -1.89 0.32 0.00 0.02 0.00 0.00 34.50 32.81 1pfw s PRO 137 CO 0.02 -1.69 1.64 -0.44 -0.33 0.00 0.00 177.00 176.20 1pfw h ASP 138 N -1.10 -0.43 0.03 2.53 3.32 -1.98 -0.60 116.42 118.19 1pfw h ASP 138 Ca -0.44 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1pfw h ASP 138 Cb 1.23 0.34 0.00 0.00 0.22 0.00 0.00 39.33 41.13 1pfw h ASP 138 CO 0.51 -0.17 0.00 0.08 -1.72 0.00 0.00 179.24 177.93 1pfw h ARG 139 N 0.07 0.00 -0.60 3.56 0.11 -1.93 -1.80 114.38 113.79 1pfw h ARG 139 Ca 0.35 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.33 1pfw h ARG 139 Cb 0.57 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.59 1pfw h ARG 139 CO -0.62 0.00 0.12 1.19 0.10 0.00 0.00 179.97 180.75 1pfw n PHE 140 N -2.36 2.08 -4.39 4.08 3.01 -0.23 -4.57 117.46 115.07 1pfw n PHE 140 Ca -0.01 -0.99 -0.28 0.00 1.01 0.00 0.00 57.45 57.18 1pfw n PHE 140 Cb 0.05 -0.57 -0.17 0.00 -0.01 0.00 0.00 39.48 38.78 1pfw n PHE 140 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1pfw s VAL 141 N -2.90 1.37 0.20 -4.37 1.01 -0.68 -1.57 120.40 113.46 1pfw s VAL 141 Ca 0.53 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1pfw s VAL 141 Cb 0.42 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1pfw s VAL 141 CO 0.13 0.42 -0.15 -1.59 0.00 0.00 0.00 175.10 173.91 1pfw s LYS 142 N 1.05 1.34 0.00 2.72 -2.85 -0.51 -1.37 119.74 120.12 1pfw s LYS 142 Ca -0.06 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.34 1pfw s LYS 142 Cb -0.15 -1.19 0.00 0.00 -2.06 0.00 0.00 37.83 34.44 1pfw s LYS 142 CO -0.02 0.21 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1pfw n GLY 143 N -0.29 -0.70 3.73 0.59 0.00 -0.04 0.03 105.19 108.51 1pfw n GLY 143 Ca -0.09 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 1pfw n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pfw s THR 144 N -3.00 5.36 0.12 2.61 2.01 0.15 -0.32 115.64 122.57 1pfw s THR 144 Ca 0.00 0.37 -0.33 0.00 0.31 0.00 0.00 61.69 62.04 1pfw s THR 144 Cb 0.00 -3.55 -0.13 0.00 0.01 0.00 0.00 72.50 68.83 1pfw s THR 144 CO 0.00 0.41 1.69 0.00 -0.69 0.00 0.00 174.62 176.03 1pfw h PRO 146 N 6.97 0.19 0.00 0.00 0.11 -1.92 -0.13 132.00 137.22 1pfw h PRO 146 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pfw h PRO 146 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pfw h PRO 146 CO 0.92 0.19 -0.06 0.87 -0.21 0.00 0.00 178.00 179.71 1pfw h LYS 147 N 0.19 0.00 -0.00 1.05 1.79 -1.94 -3.41 116.57 114.25 1pfw h LYS 147 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1pfw h LYS 147 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1pfw h LYS 147 CO -0.00 0.00 -0.52 0.00 -1.08 0.00 0.00 179.45 177.84 1pfw n LYS 149 N -1.32 -0.77 -2.34 0.00 4.76 -0.06 -4.99 118.16 113.45 1pfw n LYS 149 Ca 0.07 0.73 -0.41 0.00 -2.87 0.00 0.00 58.31 55.82 1pfw n LYS 149 Cb 0.34 -4.62 -0.03 0.00 -1.84 0.00 0.00 35.03 28.88 1pfw n LYS 149 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1pfw s SER 150 N -2.70 7.04 0.79 4.39 0.01 -1.26 -4.64 113.70 117.32 1pfw s SER 150 Ca 0.00 2.24 -0.12 0.00 1.31 0.00 0.00 55.95 59.38 1pfw s SER 150 Cb 0.00 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.69 1pfw s SER 150 CO 0.00 -0.43 1.16 -2.16 0.41 0.00 0.00 173.24 172.22 1pfw s PRO 151 N 0.03 2.14 -1.42 12.44 0.04 -1.26 -1.00 135.00 145.96 1pfw s PRO 151 Ca 0.55 0.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.67 1pfw s PRO 151 Cb -0.33 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1pfw s PRO 151 CO 0.36 -1.48 0.98 -0.25 0.04 0.00 0.00 177.00 176.65 1pfw n ASP 152 N -3.25 -4.30 -4.88 6.66 8.00 -1.12 -4.89 116.55 112.76 1pfw n ASP 152 Ca 0.08 -0.72 -0.34 0.00 0.71 0.00 0.00 54.79 54.52 1pfw n ASP 152 Cb 0.60 -4.30 -0.05 0.00 -0.02 0.00 0.00 41.12 37.35 1pfw n ASP 152 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pfw s GLN 153 N -6.33 3.62 0.03 -1.24 -1.52 0.57 -4.85 119.66 109.94 1pfw s GLN 153 Ca 0.47 -0.04 0.05 0.00 -1.95 0.00 0.00 55.36 53.89 1pfw s GLN 153 Cb -0.23 -3.01 -0.03 0.00 -0.22 0.00 0.00 33.01 29.52 1pfw s GLN 153 CO 0.79 0.59 -0.09 0.71 -0.25 0.00 0.00 175.29 177.04 1pfw s TYR 154 N -1.41 2.81 0.00 0.91 1.51 -1.26 -0.86 117.35 119.05 1pfw s TYR 154 Ca 0.32 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 1pfw s TYR 154 Cb -0.13 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1pfw s TYR 154 CO 0.19 0.37 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 1pfw n GLY 155 N 1.34 2.37 1.14 0.71 0.00 -0.47 -3.56 105.19 106.72 1pfw n GLY 155 Ca -0.15 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.46 1pfw n GLY 155 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pfw n ASP 156 N 0.89 3.31 -3.78 1.61 5.68 -1.26 -4.34 116.55 118.66 1pfw n ASP 156 Ca 0.00 -2.23 -0.12 0.00 -0.50 0.00 0.00 54.79 51.94 1pfw n ASP 156 Cb 0.00 -0.45 -0.08 0.00 -1.14 0.00 0.00 41.12 39.45 1pfw n ASP 156 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pfw s ASN 157 N -0.83 -0.11 -0.19 -1.12 2.20 -1.23 -0.14 114.94 113.51 1pfw s ASN 157 Ca 0.36 -0.13 -0.08 0.00 -0.94 0.00 0.00 52.86 52.06 1pfw s ASN 157 Cb 0.22 0.32 -0.04 0.00 -2.00 0.00 0.00 41.25 39.74 1pfw s ASN 157 CO 0.19 -0.53 0.08 0.00 -2.94 0.00 0.00 177.10 173.90 1pfw n GLU 159 N 3.58 1.40 -0.07 0.00 1.02 -1.26 -1.52 120.64 123.78 1pfw n GLU 159 Ca -0.16 -0.60 -0.08 0.00 -0.02 0.00 0.00 57.16 56.30 1pfw n GLU 159 Cb 0.52 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1pfw n GLU 159 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1pfw n VAL 160 N -0.16 1.44 0.91 2.62 0.31 -1.26 -4.72 118.33 117.48 1pfw n VAL 160 Ca 0.14 0.17 0.11 0.00 -0.01 0.00 0.00 64.34 64.75 1pfw n VAL 160 Cb 0.20 -2.19 0.05 0.00 -0.91 0.00 0.00 33.84 30.98 1pfw n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pfw n GLY 162 N 1.47 0.66 3.77 0.00 0.00 -0.58 -5.02 105.19 105.49 1pfw n GLY 162 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1pfw n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfw s ALA 163 N -2.68 2.57 0.13 4.61 0.00 -1.25 -4.70 121.76 120.44 1pfw s ALA 163 Ca 0.00 0.79 0.09 0.00 0.00 0.00 0.00 51.96 52.84 1pfw s ALA 163 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1pfw s ALA 163 CO 0.00 -1.05 -0.16 0.95 0.00 0.00 0.00 175.76 175.50 1pfw s THR 164 N -1.90 2.93 -0.09 0.00 -4.23 -1.26 -1.18 115.64 109.91 1pfw s THR 164 Ca 0.72 -1.55 -0.32 0.00 -1.18 0.00 0.00 61.69 59.36 1pfw s THR 164 Cb -0.25 -2.37 0.13 0.00 1.34 0.00 0.00 72.50 71.35 1pfw s THR 164 CO 0.33 0.04 1.27 -0.72 -0.54 0.00 0.00 174.62 175.00 1pfw s TYR 165 N -1.30 -0.07 0.25 3.99 -0.85 0.80 -4.97 117.35 115.19 1pfw s TYR 165 Ca 0.20 -0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.44 1pfw s TYR 165 Cb -0.10 0.53 -0.09 0.00 0.38 0.00 0.00 41.96 42.68 1pfw s TYR 165 CO 0.11 -0.24 1.08 0.45 -1.52 0.00 0.00 175.55 175.44 1pfw s SER 166 N -2.68 7.32 0.48 -0.18 0.15 -1.26 -4.24 113.70 113.29 1pfw s SER 166 Ca 0.12 2.18 0.25 0.00 0.70 0.00 0.00 55.95 59.21 1pfw s SER 166 Cb 0.03 -2.62 1.38 0.00 -1.71 0.00 0.00 66.02 63.09 1pfw s SER 166 CO -0.04 -0.12 1.74 -0.65 1.20 0.00 0.00 173.24 175.37 1pfw h PRO 167 N 4.18 0.00 0.00 5.44 0.11 -1.91 0.51 132.00 140.33 1pfw h PRO 167 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1pfw h PRO 167 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pfw h PRO 167 CO 0.68 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.72 1pfw n THR 168 N -2.52 0.75 0.91 -1.15 -2.24 -1.26 -2.04 114.28 106.73 1pfw n THR 168 Ca -0.02 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 1pfw n THR 168 Cb 0.23 -0.88 0.07 0.00 -2.10 0.00 0.00 70.33 67.65 1pfw n THR 168 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pfw n GLU 169 N -1.53 0.06 -1.81 -0.78 1.02 0.18 -4.94 120.64 112.84 1pfw n GLU 169 Ca 0.04 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 1pfw n GLU 169 Cb 0.21 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1pfw n GLU 169 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pfw s LEU 170 N -3.18 4.33 0.00 -4.62 1.43 -0.87 -4.42 118.68 111.35 1pfw s LEU 170 Ca 0.08 3.02 -0.25 0.00 -1.03 0.00 0.00 54.13 55.95 1pfw s LEU 170 Cb 0.16 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1pfw s LEU 170 CO 0.78 -0.87 0.78 -0.63 0.23 0.00 0.00 176.35 176.64 1pfw s ILE 171 N -0.89 4.85 -1.14 -0.59 1.01 0.46 -4.09 121.20 120.82 1pfw s ILE 171 Ca 0.55 1.65 -0.15 0.00 0.00 0.00 0.00 60.65 62.69 1pfw s ILE 171 Cb -0.47 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 1pfw s ILE 171 CO 0.60 0.29 0.81 -0.62 0.00 0.00 0.00 174.94 176.02 1pfw n GLU 172 N 3.31 -1.84 -1.70 2.79 -0.58 -1.26 -0.67 120.64 120.68 1pfw n GLU 172 Ca -0.01 0.57 -0.38 0.00 -0.42 0.00 0.00 57.16 56.92 1pfw n GLU 172 Cb 0.51 -4.63 0.05 0.00 -0.57 0.00 0.00 31.44 26.80 1pfw n GLU 172 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1pfw n PRO 173 N -3.97 1.33 -3.81 3.49 -0.02 -1.26 -4.51 135.00 126.25 1pfw n PRO 173 Ca -0.11 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1pfw n PRO 173 Cb 0.61 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 1pfw n PRO 173 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pfw s LYS 174 N -2.92 0.16 0.05 -0.52 -0.14 0.10 -4.39 119.74 112.09 1pfw s LYS 174 Ca 0.75 0.22 -0.31 0.00 -1.36 0.00 0.00 55.97 55.27 1pfw s LYS 174 Cb -0.42 0.05 -0.06 0.00 -1.68 0.00 0.00 37.83 35.73 1pfw s LYS 174 CO 0.47 -0.04 1.23 0.45 -0.76 0.00 0.00 175.35 176.70 1pfw s SER 175 N 0.20 7.03 0.53 2.83 0.15 0.07 -1.42 113.70 123.08 1pfw s SER 175 Ca -0.01 2.03 0.31 0.00 0.70 0.00 0.00 55.95 58.98 1pfw s SER 175 Cb -0.02 -2.58 1.32 0.00 -1.71 0.00 0.00 66.02 63.04 1pfw s SER 175 CO -0.01 -0.52 1.97 0.58 1.20 0.00 0.00 173.24 176.47 1pfw h VAL 176 N 4.57 0.18 0.07 4.45 2.07 -1.63 0.33 116.25 126.30 1pfw h VAL 176 Ca -0.41 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 1pfw h VAL 176 Cb 1.20 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1pfw h VAL 176 CO 0.83 0.06 -0.42 0.58 0.02 0.00 0.00 177.57 178.65 1pfw h VAL 177 N 0.00 1.65 0.00 2.57 2.07 -1.90 -3.42 116.25 117.22 1pfw h VAL 177 Ca -0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1pfw h VAL 177 Cb 0.53 3.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1pfw h VAL 177 CO 0.01 0.67 -0.62 -1.54 0.02 0.00 0.00 177.57 176.11 1pfw n SER 178 N -4.36 3.08 0.00 0.57 3.41 -1.22 -5.01 113.62 110.10 1pfw n SER 178 Ca -0.12 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1pfw n SER 178 Cb 0.66 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1pfw n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pfw n GLY 179 N 1.90 1.17 3.84 5.00 0.00 0.12 -4.97 105.19 112.24 1pfw n GLY 179 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pfw n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfw s ALA 180 N -3.07 2.93 -0.14 4.61 0.00 -1.26 -4.40 121.76 120.43 1pfw s ALA 180 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 1pfw s ALA 180 Cb 0.00 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1pfw s ALA 180 CO 0.00 -0.71 1.18 0.99 0.00 0.00 0.00 175.76 177.23 1pfw s THR 181 N -2.87 4.39 0.57 0.00 2.01 -1.26 -0.75 115.64 117.73 1pfw s THR 181 Ca 0.58 1.69 -0.15 0.00 0.31 0.00 0.00 61.69 64.12 1pfw s THR 181 Cb -0.12 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1pfw s THR 181 CO 0.45 -0.10 1.03 -2.16 -0.69 0.00 0.00 174.62 173.15 1pfw s PRO 182 N 2.97 3.56 0.14 4.92 0.04 -1.26 -4.65 135.00 140.72 1pfw s PRO 182 Ca 0.52 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.66 1pfw s PRO 182 Cb -0.21 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1pfw s PRO 182 CO 0.15 -0.60 -0.11 0.14 0.04 0.00 0.00 177.00 176.63 1pfw s VAL 183 N -2.63 1.21 0.06 -0.36 -7.23 0.04 -4.85 120.40 106.65 1pfw s VAL 183 Ca 0.61 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1pfw s VAL 183 Cb -0.13 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1pfw s VAL 183 CO 0.37 -0.68 1.14 -0.04 -0.31 0.00 0.00 175.10 175.58 1pfw s MET 184 N -3.52 4.47 0.01 4.82 -1.94 -1.26 0.68 119.30 122.56 1pfw s MET 184 Ca 0.15 1.68 0.01 0.00 -1.71 0.00 0.00 55.69 55.83 1pfw s MET 184 Cb 0.01 -3.37 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 1pfw s MET 184 CO 0.01 -0.18 -0.05 0.50 -0.01 0.00 0.00 175.02 175.29 1pfw s ARG 185 N 0.94 0.35 0.31 2.03 3.52 -0.59 -4.91 118.95 120.61 1pfw s ARG 185 Ca 0.56 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.78 1pfw s ARG 185 Cb -0.27 -0.26 -0.06 0.00 -1.56 0.00 0.00 34.95 32.79 1pfw s ARG 185 CO 0.29 0.06 0.62 -0.51 -0.81 0.00 0.00 175.30 174.96 1pfw s ASP 186 N -0.51 6.52 -0.27 -2.12 -0.00 -1.26 -1.31 116.67 117.71 1pfw s ASP 186 Ca -0.02 0.90 -0.25 0.00 -0.00 0.00 0.00 52.55 53.18 1pfw s ASP 186 Cb -0.04 -2.22 0.09 0.00 -0.00 0.00 0.00 42.92 40.75 1pfw s ASP 186 CO -0.00 -0.23 0.83 -0.55 -0.00 0.00 0.00 175.17 175.22 1pfw s SER 187 N -2.95 -0.65 -0.05 0.27 0.15 -0.33 -4.98 113.70 105.16 1pfw s SER 187 Ca 0.47 1.25 -0.28 0.00 0.70 0.00 0.00 55.95 58.10 1pfw s SER 187 Cb -0.11 1.27 -0.03 0.00 -1.71 0.00 0.00 66.02 65.45 1pfw s SER 187 CO 0.28 -0.22 0.90 -0.70 1.20 0.00 0.00 173.24 174.70 1pfw s GLU 188 N 0.33 4.48 0.28 5.44 2.12 -1.26 -1.12 118.70 128.96 1pfw s GLU 188 Ca 0.01 1.24 0.12 0.00 0.36 0.00 0.00 54.97 56.70 1pfw s GLU 188 Cb -0.05 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 1pfw s GLU 188 CO -0.01 -0.10 -0.19 -1.01 -0.54 0.00 0.00 175.26 173.40 1pfw s HIS 189 N 1.28 2.30 -0.17 5.30 3.76 0.11 -4.96 115.29 122.92 1pfw s HIS 189 Ca 0.46 -0.33 -0.04 0.00 -0.15 0.00 0.00 55.06 55.01 1pfw s HIS 189 Cb -0.19 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.47 1pfw s HIS 189 CO 0.22 0.72 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.73 1pfw s PHE 190 N -2.51 3.01 0.03 1.40 2.99 -1.26 -0.92 117.98 120.71 1pfw s PHE 190 Ca 0.30 -0.41 0.06 0.00 0.00 0.00 0.00 56.93 56.88 1pfw s PHE 190 Cb -0.05 -1.99 -0.03 0.00 0.00 0.00 0.00 43.02 40.95 1pfw s PHE 190 CO 0.15 -0.13 -0.14 -0.06 -0.00 0.00 0.00 175.22 175.04 1pfw s PHE 191 N 0.59 2.67 -0.17 0.36 0.40 0.12 -1.09 117.98 120.86 1pfw s PHE 191 Ca -0.03 -0.19 -0.18 0.00 -0.60 0.00 0.00 56.93 55.94 1pfw s PHE 191 Cb -0.14 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1pfw s PHE 191 CO 0.03 0.29 0.49 0.12 0.70 0.00 0.00 175.22 176.84 1pfw s PHE 192 N -0.94 3.43 -1.32 0.36 5.36 0.11 -0.54 117.98 124.44 1pfw s PHE 192 Ca 0.15 0.81 -0.14 0.00 -0.96 0.00 0.00 56.93 56.79 1pfw s PHE 192 Cb -0.11 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.93 1pfw s PHE 192 CO 0.06 0.02 2.31 -3.47 -1.46 0.00 0.00 175.22 172.68 1pfw n ASP 193 N 4.30 4.68 -0.29 6.13 2.03 0.28 -1.74 116.55 131.94 1pfw n ASP 193 Ca -0.06 -2.72 0.09 0.00 0.52 0.00 0.00 54.79 52.63 1pfw n ASP 193 Cb 0.51 -1.49 0.32 0.00 -0.72 0.00 0.00 41.12 39.74 1pfw n ASP 193 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1pfw h LEU 194 N 9.98 0.75 -2.00 -2.67 5.85 -1.88 -2.01 115.31 123.33 1pfw h LEU 194 Ca 0.60 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.52 1pfw h LEU 194 Cb 0.54 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1pfw h LEU 194 CO 1.85 0.41 0.45 -0.65 -0.34 0.00 0.00 178.44 180.16 1pfw h PRO 195 N 0.82 0.00 0.00 5.25 0.11 -1.84 -0.14 132.00 136.19 1pfw h PRO 195 Ca 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 1pfw h PRO 195 Cb 0.54 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1pfw h PRO 195 CO -0.20 0.00 -0.01 0.77 -0.21 0.00 0.00 178.00 178.35 1pfw h SER 196 N 0.00 0.00 -0.62 -2.05 0.02 -1.77 -2.30 113.55 106.83 1pfw h SER 196 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1pfw h SER 196 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1pfw h SER 196 CO -0.00 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.19 1pfw n PHE 197 N -3.20 1.11 -0.07 3.45 3.01 -0.07 -4.69 117.46 117.01 1pfw n PHE 197 Ca -0.02 -0.56 -0.08 0.00 1.01 0.00 0.00 57.45 57.79 1pfw n PHE 197 Cb 0.13 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.46 1pfw n PHE 197 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1pfw h SER 198 N 3.75 -0.88 -0.75 4.37 0.87 -1.51 -0.70 113.55 118.70 1pfw h SER 198 Ca 0.00 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1pfw h SER 198 Cb 1.16 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 63.51 1pfw h SER 198 CO 0.11 -0.30 0.33 -0.33 -0.53 0.00 0.00 176.83 176.11 1pfw h GLU 199 N -0.26 1.09 -0.62 2.24 5.08 -1.85 -0.21 114.58 120.06 1pfw h GLU 199 Ca 0.15 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1pfw h GLU 199 Cb 0.49 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1pfw h GLU 199 CO -0.44 0.87 0.31 1.98 -1.00 0.00 0.00 179.01 180.73 1pfw h MET 200 N 1.06 0.89 -0.39 2.33 4.05 -1.80 -2.18 114.93 118.88 1pfw h MET 200 Ca 0.25 -0.13 -0.13 0.00 -0.28 0.00 0.00 59.70 59.42 1pfw h MET 200 Cb 0.16 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1pfw h MET 200 CO -0.03 0.71 -0.26 -0.07 0.23 0.00 0.00 176.91 177.49 1pfw h LEU 201 N 0.85 0.84 -1.08 3.39 3.38 -0.82 -2.73 115.31 119.14 1pfw h LEU 201 Ca 0.21 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1pfw h LEU 201 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1pfw h LEU 201 CO -0.03 1.06 0.02 1.56 0.09 0.00 0.00 178.44 181.14 1pfw h GLN 202 N 0.70 0.67 -0.46 1.13 4.20 -0.79 -2.08 115.11 118.49 1pfw h GLN 202 Ca 0.09 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1pfw h GLN 202 Cb 0.79 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1pfw h GLN 202 CO 0.07 0.68 0.07 0.00 -0.67 0.00 0.00 178.83 178.98 1pfw h ALA 203 N 1.38 0.61 -0.74 3.87 0.00 -1.23 -2.64 119.26 120.51 1pfw h ALA 203 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1pfw h ALA 203 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1pfw h ALA 203 CO 0.01 0.34 0.43 2.35 0.00 0.00 0.00 179.25 182.38 1pfw h TRP 204 N 0.63 0.99 -0.90 0.00 7.01 -1.17 -2.23 115.95 120.28 1pfw h TRP 204 Ca 0.14 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.19 1pfw h TRP 204 Cb 0.39 -0.32 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 1pfw h TRP 204 CO 0.03 0.68 0.57 1.15 -2.79 0.00 0.00 178.44 178.08 1pfw h THR 205 N 1.02 1.06 -0.15 2.65 2.02 -1.16 -1.99 112.91 116.35 1pfw h THR 205 Ca 0.26 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1pfw h THR 205 Cb -0.00 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1pfw h THR 205 CO -0.05 0.19 0.00 -2.11 0.37 0.00 0.00 175.52 173.92 1pfw n ARG 206 N -4.58 1.72 0.22 6.66 1.85 -1.02 -4.06 116.66 117.45 1pfw n ARG 206 Ca 0.13 -1.08 0.09 0.00 -1.00 0.00 0.00 57.85 55.99 1pfw n ARG 206 Cb 0.17 -1.40 0.47 0.00 -1.05 0.00 0.00 32.46 30.65 1pfw n ARG 206 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1pfw h SER 207 N 2.20 0.00 0.00 2.89 4.64 -0.76 -3.47 113.55 119.06 1pfw h SER 207 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pfw h SER 207 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1pfw h SER 207 CO 0.00 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1pfw n GLY 208 N -0.04 0.75 0.07 -0.77 0.00 -1.26 -4.97 105.19 98.97 1pfw n GLY 208 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1pfw n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfw h ALA 209 N 0.00 -0.02 -2.34 4.61 0.00 -1.87 -3.46 119.26 116.18 1pfw h ALA 209 Ca 0.00 -0.39 -0.52 0.00 0.00 0.00 0.00 54.91 54.00 1pfw h ALA 209 Cb 0.00 0.01 0.17 0.00 0.00 0.00 0.00 17.79 17.96 1pfw h ALA 209 CO 0.00 -0.09 0.28 -0.51 0.00 0.00 0.00 179.25 178.93 1pfw s LEU 210 N -8.55 2.98 0.46 0.00 1.43 -1.26 -4.91 118.68 108.83 1pfw s LEU 210 Ca -0.17 2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 54.76 1pfw s LEU 210 Cb -0.01 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.58 1pfw s LEU 210 CO 0.63 -2.58 1.35 -1.10 0.23 0.00 0.00 176.35 174.88 1pfw s GLN 211 N -4.65 3.67 0.22 1.70 -0.21 -1.26 -4.80 119.66 114.32 1pfw s GLN 211 Ca 0.65 2.23 -0.09 0.00 0.02 0.00 0.00 55.36 58.18 1pfw s GLN 211 Cb -0.21 -2.58 0.33 0.00 1.00 0.00 0.00 33.01 31.54 1pfw s GLN 211 CO 0.55 -0.77 1.69 1.49 -2.12 0.00 0.00 175.29 176.13 1pfw h GLU 212 N 2.23 0.21 -0.23 2.91 4.81 -1.94 -0.89 114.58 121.68 1pfw h GLU 212 Ca -0.50 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1pfw h GLU 212 Cb 1.27 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1pfw h GLU 212 CO 0.61 0.14 -0.03 1.96 -0.73 0.00 0.00 179.01 180.96 1pfw h GLN 213 N 0.22 0.35 -0.02 1.92 4.20 -1.98 -1.57 115.11 118.23 1pfw h GLN 213 Ca 0.34 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1pfw h GLN 213 Cb 0.53 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1pfw h GLN 213 CO -0.46 0.41 -0.03 0.28 -0.67 0.00 0.00 178.83 178.36 1pfw h VAL 214 N 0.34 1.44 -0.93 -0.54 2.07 -1.58 -2.40 116.25 114.64 1pfw h VAL 214 Ca 0.08 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.35 1pfw h VAL 214 Cb 0.29 2.30 -0.08 0.00 -1.52 0.00 0.00 31.29 32.28 1pfw h VAL 214 CO 0.01 0.36 0.58 0.00 0.02 0.00 0.00 177.57 178.53 1pfw h ALA 215 N 0.46 1.35 -0.55 1.67 0.00 -1.03 -0.18 119.26 120.98 1pfw h ALA 215 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pfw h ALA 215 Cb 0.60 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1pfw h ALA 215 CO 0.01 0.24 0.32 -0.91 0.00 0.00 0.00 179.25 178.90 1pfw h ASN 216 N 0.97 0.68 -0.58 0.00 -0.26 -1.26 -2.33 115.58 112.79 1pfw h ASN 216 Ca 0.44 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 56.08 1pfw h ASN 216 Cb 0.36 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 1pfw h ASN 216 CO -0.23 0.56 0.26 0.11 -1.06 0.00 0.00 177.43 177.06 1pfw h LYS 217 N 0.74 0.85 -0.64 0.81 1.79 -0.71 -2.60 116.57 116.81 1pfw h LYS 217 Ca 0.20 -0.14 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1pfw h LYS 217 Cb 0.02 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 1pfw h LYS 217 CO -0.03 0.71 0.42 0.52 -1.08 0.00 0.00 179.45 179.99 1pfw h MET 218 N 0.80 0.71 -0.25 3.15 2.86 -0.75 -0.12 114.93 121.32 1pfw h MET 218 Ca 0.20 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1pfw h MET 218 Cb 0.16 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1pfw h MET 218 CO -0.02 0.47 0.08 1.96 1.06 0.00 0.00 176.91 180.45 1pfw h GLN 219 N 0.73 0.35 -0.49 1.72 1.08 -1.03 -0.38 115.11 117.09 1pfw h GLN 219 Ca 0.26 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.30 1pfw h GLN 219 Cb 0.12 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1pfw h GLN 219 CO -0.07 0.31 -0.17 0.93 -0.95 0.00 0.00 178.83 178.88 1pfw h GLU 220 N 0.35 0.96 -0.28 1.46 5.08 -0.97 -1.59 114.58 119.59 1pfw h GLU 220 Ca 0.09 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 1pfw h GLU 220 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1pfw h GLU 220 CO -0.01 1.05 -0.42 -1.49 -1.00 0.00 0.00 179.01 177.15 1pfw h TRP 221 N 0.84 0.81 -0.39 4.33 6.55 -0.83 -1.50 115.95 125.77 1pfw h TRP 221 Ca 0.12 -0.24 -0.12 0.00 0.95 0.00 0.00 58.89 59.60 1pfw h TRP 221 Cb 0.73 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.85 1pfw h TRP 221 CO 0.05 0.98 -0.23 0.74 -1.05 0.00 0.00 178.44 178.92 1pfw h PHE 222 N 0.55 0.88 -0.39 0.49 0.05 -1.02 -0.92 116.94 116.58 1pfw h PHE 222 Ca 0.04 -0.20 -0.01 0.00 3.82 0.00 0.00 57.97 61.62 1pfw h PHE 222 Cb 0.95 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.67 1pfw h PHE 222 CO 0.05 0.93 0.22 1.49 -0.18 0.00 0.00 178.31 180.81 1pfw h GLU 223 N 0.67 0.54 -0.24 1.51 4.57 -1.09 -1.92 114.58 118.61 1pfw h GLU 223 Ca 0.09 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1pfw h GLU 223 Cb 0.74 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1pfw h GLU 223 CO 0.06 0.43 -0.08 0.77 -1.18 0.00 0.00 179.01 179.01 1pfw h SER 224 N 0.50 0.36 0.00 1.04 0.02 -1.07 -3.49 113.55 110.92 1pfw h SER 224 Ca 0.14 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pfw h SER 224 Cb 0.04 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1pfw h SER 224 CO -0.02 0.49 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 1pfw n GLY 225 N -0.85 1.92 3.77 -3.77 0.00 -0.37 -5.04 105.19 100.86 1pfw n GLY 225 Ca 0.00 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 1pfw n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfw s LEU 226 N 0.00 4.21 0.35 0.99 1.43 -1.26 -4.92 118.68 119.48 1pfw s LEU 226 Ca 0.00 2.16 0.09 0.00 -1.03 0.00 0.00 54.13 55.35 1pfw s LEU 226 Cb 0.00 -4.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.09 1pfw s LEU 226 CO 0.00 -0.51 -0.07 -1.10 0.23 0.00 0.00 176.35 174.90 1pfw s GLN 227 N -2.30 1.83 0.47 1.70 -1.52 -1.26 -4.70 119.66 113.88 1pfw s GLN 227 Ca 0.56 -1.96 -0.20 0.00 -1.95 0.00 0.00 55.36 51.80 1pfw s GLN 227 Cb -0.26 -1.66 -0.09 0.00 -0.22 0.00 0.00 33.01 30.78 1pfw s GLN 227 CO 0.32 0.10 1.02 -0.65 -0.25 0.00 0.00 175.29 175.83 1pfw s GLN 228 N -3.64 3.91 -0.12 2.91 -0.21 -1.26 -4.34 119.66 116.91 1pfw s GLN 228 Ca 0.33 1.30 0.00 0.00 0.02 0.00 0.00 55.36 57.01 1pfw s GLN 228 Cb 0.04 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.92 1pfw s GLN 228 CO 0.17 -0.33 -0.13 -1.58 -2.12 0.00 0.00 175.29 171.29 1pfw s TRP 229 N -2.03 2.81 -0.05 0.91 0.52 -0.71 -4.91 118.94 115.47 1pfw s TRP 229 Ca 0.66 -0.60 -0.30 0.00 0.02 0.00 0.00 56.10 55.88 1pfw s TRP 229 Cb -0.14 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 1pfw s TRP 229 CO 0.18 -0.17 1.40 0.34 0.02 0.00 0.00 176.95 178.72 1pfw s ASP 230 N 0.26 6.85 -0.10 2.95 2.15 -1.26 0.09 116.67 127.60 1pfw s ASP 230 Ca -0.09 2.03 0.15 0.00 0.43 0.00 0.00 52.55 55.07 1pfw s ASP 230 Cb -0.15 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.16 1pfw s ASP 230 CO 0.05 -0.75 1.14 2.30 -0.17 0.00 0.00 175.17 177.74 1pfw n ILE 231 N 4.94 1.71 -4.32 4.11 -5.35 -0.25 -4.90 119.36 115.31 1pfw n ILE 231 Ca 0.14 -1.94 -0.20 0.00 -0.27 0.00 0.00 62.75 60.48 1pfw n ILE 231 Cb 0.44 -0.07 -0.11 0.00 -1.74 0.00 0.00 39.64 38.16 1pfw n ILE 231 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1pfw s SER 232 N -2.36 2.53 -0.03 7.28 1.04 -1.23 -0.17 113.70 120.76 1pfw s SER 232 Ca 0.26 -0.90 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 1pfw s SER 232 Cb 0.22 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1pfw s SER 232 CO 0.03 -0.09 0.15 -0.13 0.98 0.00 0.00 173.24 174.18 1pfw s ARG 233 N -3.03 0.32 0.39 4.02 1.81 0.41 -4.60 118.95 118.27 1pfw s ARG 233 Ca 0.17 -0.05 -0.11 0.00 -1.72 0.00 0.00 55.73 54.01 1pfw s ARG 233 Cb -0.04 0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.53 1pfw s ARG 233 CO 0.06 -0.06 0.77 -0.51 -0.68 0.00 0.00 175.30 174.87 1pfw s ASP 234 N -0.57 6.57 0.61 0.23 1.11 -1.26 0.20 116.67 123.55 1pfw s ASP 234 Ca -0.07 1.17 -0.17 0.00 0.18 0.00 0.00 52.55 53.67 1pfw s ASP 234 Cb -0.04 -2.34 -0.02 0.00 1.07 0.00 0.00 42.92 41.59 1pfw s ASP 234 CO 0.01 -0.37 1.11 0.00 1.18 0.00 0.00 175.17 177.09 1pfw s ALA 235 N -2.31 2.58 0.33 5.23 0.00 -0.38 -4.25 121.76 122.96 1pfw s ALA 235 Ca 0.52 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.81 1pfw s ALA 235 Cb -0.10 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1pfw s ALA 235 CO 0.29 -1.04 1.12 -1.25 0.00 0.00 0.00 175.76 174.88 1pfw s PRO 236 N -3.83 4.43 0.07 0.00 0.04 -1.26 -4.79 135.00 129.66 1pfw s PRO 236 Ca 0.68 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 1pfw s PRO 236 Cb -0.21 -2.97 0.06 0.00 0.04 0.00 0.00 34.50 31.42 1pfw s PRO 236 CO 0.36 0.03 0.55 -0.47 0.04 0.00 0.00 177.00 177.51 1pfw s TYR 237 N -1.30 -0.46 -0.41 0.56 6.14 -1.26 -4.98 117.35 115.64 1pfw s TYR 237 Ca 0.49 0.47 -0.04 0.00 0.64 0.00 0.00 57.07 58.63 1pfw s TYR 237 Cb -0.30 0.40 0.11 0.00 0.42 0.00 0.00 41.96 42.58 1pfw s TYR 237 CO 0.39 -0.70 0.22 0.12 0.64 0.00 0.00 175.55 176.22 1pfw s PHE 238 N -2.74 3.53 -1.05 4.97 5.36 -1.26 -5.00 117.98 121.79 1pfw s PHE 238 Ca -0.04 -2.25 0.00 0.00 -0.96 0.00 0.00 56.93 53.69 1pfw s PHE 238 Cb -0.00 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1pfw s PHE 238 CO -0.04 -0.96 0.00 0.41 -1.46 0.00 0.00 175.22 173.17 1pfw n GLY 239 N 4.66 -0.62 3.72 13.12 0.00 -1.26 -1.45 105.19 123.37 1pfw n GLY 239 Ca -0.04 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1pfw n GLY 239 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pfw s PHE 240 N -3.34 3.48 0.36 1.61 2.99 -1.26 -4.99 117.98 116.82 1pfw s PHE 240 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 56.93 57.41 1pfw s PHE 240 Cb 0.00 -2.47 -0.09 0.00 0.00 0.00 0.00 43.02 40.46 1pfw s PHE 240 CO 0.00 0.18 1.14 -1.21 -0.00 0.00 0.00 175.22 175.32 1pfw s GLU 241 N 0.64 4.28 -0.15 0.44 2.02 -1.26 -0.91 118.70 123.76 1pfw s GLU 241 Ca 0.22 1.79 -0.25 0.00 0.02 0.00 0.00 54.97 56.75 1pfw s GLU 241 Cb -0.14 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 1pfw s GLU 241 CO 0.07 -0.11 0.80 0.42 0.02 0.00 0.00 175.26 176.46 1pfw s ILE 242 N -1.36 4.92 0.35 -1.63 1.01 -0.07 -4.80 121.20 119.62 1pfw s ILE 242 Ca 0.53 1.58 -0.28 0.00 0.00 0.00 0.00 60.65 62.48 1pfw s ILE 242 Cb -0.30 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 37.94 1pfw s ILE 242 CO 0.38 0.07 1.34 -2.65 0.00 0.00 0.00 174.94 174.09 1pfw n PRO 243 N 4.95 2.27 -0.89 2.79 -0.02 -1.26 -1.63 135.00 141.20 1pfw n PRO 243 Ca 0.03 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1pfw n PRO 243 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1pfw n PRO 243 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pfw n ASN 244 N 0.72 -2.98 -3.45 2.55 5.03 -1.26 -4.91 115.26 110.96 1pfw n ASN 244 Ca 0.04 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.23 1pfw n ASN 244 Cb 0.37 -1.97 -0.09 0.00 -1.02 0.00 0.00 39.78 37.06 1pfw n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pfw n ALA 245 N 1.00 3.13 -1.58 5.41 0.00 -0.65 -5.11 120.51 122.72 1pfw n ALA 245 Ca 0.00 -3.87 -0.51 0.00 0.00 0.00 0.00 53.44 49.06 1pfw n ALA 245 Cb 0.18 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 1pfw n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pfw n PRO 246 N 1.79 1.15 -0.86 0.00 -0.02 -1.26 -1.43 135.00 134.36 1pfw n PRO 246 Ca 0.25 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1pfw n PRO 246 Cb 0.45 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1pfw n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pfw n GLY 247 N 2.32 1.16 3.57 -1.23 0.00 -1.26 -5.02 105.19 104.73 1pfw n GLY 247 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1pfw n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfw s LYS 248 N -0.04 2.64 0.18 1.61 -0.14 -0.51 -1.25 119.74 122.22 1pfw s LYS 248 Ca 0.00 -0.63 0.07 0.00 -1.36 0.00 0.00 55.97 54.05 1pfw s LYS 248 Cb 0.00 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 1pfw s LYS 248 CO 0.00 0.64 -0.15 0.71 -0.76 0.00 0.00 175.35 175.79 1pfw s TYR 249 N -0.87 1.62 0.05 3.18 1.51 0.13 -0.89 117.35 122.09 1pfw s TYR 249 Ca 0.14 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1pfw s TYR 249 Cb -0.11 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.90 1pfw s TYR 249 CO 0.03 0.28 1.17 -0.06 -1.11 0.00 0.00 175.55 175.86 1pfw s PHE 250 N -2.71 3.47 0.41 2.71 2.99 -0.09 -0.45 117.98 124.32 1pfw s PHE 250 Ca 0.18 1.36 -0.26 0.00 0.00 0.00 0.00 56.93 58.21 1pfw s PHE 250 Cb -0.02 -3.38 -0.09 0.00 0.00 0.00 0.00 43.02 39.54 1pfw s PHE 250 CO 0.05 -1.09 1.36 -0.47 -0.00 0.00 0.00 175.22 175.08 1pfw s TYR 251 N 1.07 2.68 0.31 0.36 5.04 0.76 -4.59 117.35 122.98 1pfw s TYR 251 Ca 0.58 1.34 0.07 0.00 -2.44 0.00 0.00 57.07 56.61 1pfw s TYR 251 Cb -0.28 -3.79 0.86 0.00 0.35 0.00 0.00 41.96 39.09 1pfw s TYR 251 CO 0.29 -2.46 1.66 -0.24 -1.34 0.00 0.00 175.55 173.46 1pfw h VAL 252 N 2.48 0.34 0.00 3.14 3.04 -1.91 0.12 116.25 123.46 1pfw h VAL 252 Ca -0.50 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1pfw h VAL 252 Cb 1.25 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1pfw h VAL 252 CO 0.62 0.05 0.00 0.79 -1.01 0.00 0.00 177.57 178.03 1pfw n TRP 253 N -5.12 0.00 -0.05 3.17 7.02 -1.26 0.07 117.44 121.27 1pfw n TRP 253 Ca 0.25 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.56 1pfw n TRP 253 Cb 0.79 -0.49 -0.13 0.00 -2.42 0.00 0.00 31.31 29.06 1pfw n TRP 253 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1pfw h LEU 254 N 0.00 0.12 0.00 -0.99 7.12 -1.09 -3.38 115.31 117.09 1pfw h LEU 254 Ca 0.00 -0.86 0.00 0.00 0.13 0.00 0.00 57.88 57.15 1pfw h LEU 254 Cb 0.20 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1pfw h LEU 254 CO 0.00 1.25 -0.25 -2.24 -0.13 0.00 0.00 178.44 177.08 1pfw h ASP 255 N -0.82 0.00 0.61 1.25 -0.00 -1.41 -3.37 116.42 112.68 1pfw h ASP 255 Ca -0.14 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 56.86 1pfw h ASP 255 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.58 1pfw h ASP 255 CO -0.02 0.00 -0.48 0.00 -0.00 0.00 0.00 179.24 178.74 1pfw h ALA 256 N 2.03 -1.20 0.00 4.15 0.00 -0.54 -2.51 119.26 121.20 1pfw h ALA 256 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1pfw h ALA 256 Cb 0.98 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1pfw h ALA 256 CO 0.00 -1.19 -0.17 -1.00 0.00 0.00 0.00 179.25 176.89 1pfw h PRO 257 N -1.06 0.00 0.00 0.00 0.13 -1.78 0.68 132.00 129.97 1pfw h PRO 257 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1pfw h PRO 257 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1pfw h PRO 257 CO 0.01 0.17 0.00 0.82 -0.23 0.00 0.00 178.00 178.77 1pfw h ILE 258 N 0.00 0.00 0.00 -3.56 2.04 -1.66 -0.10 117.51 114.22 1pfw h ILE 258 Ca -0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1pfw h ILE 258 Cb 0.48 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1pfw h ILE 258 CO 0.02 0.00 -0.08 1.23 0.00 0.00 0.00 178.15 179.32 1pfw h GLY 259 N 0.81 0.00 0.98 5.37 0.00 -0.42 0.16 103.07 109.97 1pfw h GLY 259 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1pfw h GLY 259 CO 0.00 0.00 0.25 -0.97 0.00 0.00 0.00 176.54 175.82 1pfw h TYR 260 N 0.00 0.68 -0.19 5.60 0.99 -1.14 0.70 116.97 123.62 1pfw h TYR 260 Ca -0.00 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 1pfw h TYR 260 Cb 0.17 -0.22 -0.00 0.00 1.00 0.00 0.00 36.73 37.68 1pfw h TYR 260 CO 0.00 0.52 -0.17 0.52 -0.00 0.00 0.00 178.16 179.03 1pfw h MET 261 N 0.65 0.45 -0.98 4.88 2.86 -1.24 -2.75 114.93 118.80 1pfw h MET 261 Ca 0.17 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1pfw h MET 261 Cb 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1pfw h MET 261 CO -0.03 0.79 0.65 0.78 1.06 0.00 0.00 176.91 180.16 1pfw h GLY 262 N 0.12 1.41 1.17 8.32 0.00 -0.53 0.54 103.07 114.09 1pfw h GLY 262 Ca 0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1pfw h GLY 262 CO 0.04 0.45 0.01 0.23 0.00 0.00 0.00 176.54 177.27 1pfw h SER 263 N 1.27 0.97 -0.32 0.19 0.87 -0.85 -0.41 113.55 115.28 1pfw h SER 263 Ca 0.38 -0.26 -0.18 0.00 -1.23 0.00 0.00 61.79 60.50 1pfw h SER 263 Cb -0.05 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.65 1pfw h SER 263 CO -0.11 1.02 -0.50 0.15 -0.53 0.00 0.00 176.83 176.86 1pfw h PHE 264 N 0.92 1.12 -0.75 2.24 3.57 -1.08 -1.76 116.94 121.19 1pfw h PHE 264 Ca 0.17 -0.38 -0.03 0.00 3.53 0.00 0.00 57.97 61.26 1pfw h PHE 264 Cb 0.52 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1pfw h PHE 264 CO 0.03 1.22 0.37 -0.22 -2.23 0.00 0.00 178.31 177.48 1pfw h LYS 265 N 0.70 1.08 -0.58 1.11 3.64 -0.74 -0.50 116.57 121.29 1pfw h LYS 265 Ca 0.03 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1pfw h LYS 265 Cb 1.11 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 1pfw h LYS 265 CO 0.12 0.84 0.38 -0.97 -2.27 0.00 0.00 179.45 177.55 1pfw h ASN 266 N 1.06 0.66 -0.34 4.20 -1.24 -0.93 0.12 115.58 119.11 1pfw h ASN 266 Ca 0.26 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 1pfw h ASN 266 Cb 0.11 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1pfw h ASN 266 CO -0.03 0.48 0.18 0.25 -1.29 0.00 0.00 177.43 177.02 1pfw h LEU 267 N 0.78 0.43 -0.28 0.34 5.85 -0.77 -0.62 115.31 121.04 1pfw h LEU 267 Ca 0.22 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1pfw h LEU 267 Cb -0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1pfw h LEU 267 CO -0.05 0.39 0.15 0.00 -0.34 0.00 0.00 178.44 178.59 1pfw h ASP 269 N 0.33 1.06 0.39 0.00 3.32 -0.56 -0.25 116.42 120.70 1pfw h ASP 269 Ca 0.10 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1pfw h ASP 269 Cb 0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1pfw h ASP 269 CO -0.02 0.79 -0.44 0.11 -1.72 0.00 0.00 179.24 177.97 1pfw h LYS 270 N 1.23 0.07 -0.00 3.56 1.57 -0.86 -2.58 116.57 119.56 1pfw h LYS 270 Ca 0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1pfw h LYS 270 Cb -0.09 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1pfw h LYS 270 CO -0.07 0.49 -0.12 0.54 -0.57 0.00 0.00 179.45 179.72 1pfw n ARG 271 N -4.01 0.01 -1.39 3.15 1.74 -0.71 -4.90 116.66 110.55 1pfw n ARG 271 Ca -0.02 -0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 1pfw n ARG 271 Cb 0.47 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1pfw n ARG 271 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pfw n GLY 272 N 1.49 0.65 3.52 -0.13 0.00 -0.55 -4.98 105.19 105.19 1pfw n GLY 272 Ca 0.07 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1pfw n GLY 272 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pfw s ASP 273 N -2.89 6.33 0.00 1.61 -1.08 -0.21 -4.93 116.67 115.49 1pfw s ASP 273 Ca 0.00 -0.29 0.23 0.00 -0.52 0.00 0.00 52.55 51.97 1pfw s ASP 273 Cb 0.00 -2.32 0.48 0.00 -1.46 0.00 0.00 42.92 39.62 1pfw s ASP 273 CO 0.00 -0.76 1.43 -1.54 0.52 0.00 0.00 175.17 174.82 1pfw n SER 274 N 6.25 3.28 0.00 -0.34 3.41 -1.26 -4.34 113.62 120.61 1pfw n SER 274 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1pfw n SER 274 Cb 0.48 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1pfw n SER 274 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pfw n VAL 275 N 1.36 0.00 -0.06 -3.33 0.24 -1.26 -4.81 118.33 110.47 1pfw n VAL 275 Ca 0.19 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.51 1pfw n VAL 275 Cb 0.57 -0.61 0.34 0.00 -1.47 0.00 0.00 33.84 32.66 1pfw n VAL 275 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1pfw h SER 276 N 0.00 0.59 0.14 -1.34 0.02 -1.99 -2.31 113.55 108.66 1pfw h SER 276 Ca 0.00 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1pfw h SER 276 Cb 0.73 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1pfw h SER 276 CO 0.00 0.49 -0.16 0.15 -1.14 0.00 0.00 176.83 176.17 1pfw h PHE 277 N 0.67 -0.40 -0.53 3.45 3.57 -1.87 -1.20 116.94 120.62 1pfw h PHE 277 Ca 0.17 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1pfw h PHE 277 Cb 0.04 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1pfw h PHE 277 CO 0.00 -0.24 0.11 -0.44 -2.23 0.00 0.00 178.31 175.52 1pfw h ASP 278 N -0.33 0.77 0.15 0.41 3.32 -1.88 -0.42 116.42 118.44 1pfw h ASP 278 Ca 0.01 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1pfw h ASP 278 Cb 0.32 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1pfw h ASP 278 CO -0.05 0.77 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.80 1pfw h GLU 279 N 0.79 0.00 0.00 3.56 5.08 -0.93 -0.38 114.58 122.70 1pfw h GLU 279 Ca 0.17 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.26 1pfw h GLU 279 Cb 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1pfw h GLU 279 CO 0.00 0.10 -1.93 0.66 -1.00 0.00 0.00 179.01 176.84 1pfw n TYR 280 N -4.12 0.52 0.38 4.33 4.02 -0.50 -4.29 117.16 117.50 1pfw n TYR 280 Ca -0.03 0.18 0.05 0.00 -0.01 0.00 0.00 57.90 58.10 1pfw n TYR 280 Cb 0.18 -1.03 -0.07 0.00 -0.02 0.00 0.00 39.34 38.40 1pfw n TYR 280 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1pfw n TRP 281 N -2.83 0.00 -1.67 -0.72 7.02 -0.22 -4.87 117.44 114.16 1pfw n TRP 281 Ca -0.20 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 55.94 1pfw n TRP 281 Cb 1.00 -0.07 0.06 0.00 -2.42 0.00 0.00 31.31 29.89 1pfw n TRP 281 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1pfw s LYS 282 N -2.23 2.59 0.51 -0.99 -2.85 -0.17 -1.34 119.74 115.26 1pfw s LYS 282 Ca 0.02 1.52 0.18 0.00 -1.00 0.00 0.00 55.97 56.69 1pfw s LYS 282 Cb 0.08 -1.91 1.26 0.00 -2.06 0.00 0.00 37.83 35.19 1pfw s LYS 282 CO 0.46 -1.44 2.09 0.87 0.10 0.00 0.00 175.35 177.43 1pfw h LYS 283 N -0.04 0.07 -0.69 1.78 1.57 -1.85 -1.95 116.57 115.46 1pfw h LYS 283 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1pfw h LYS 283 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pfw h LYS 283 CO 0.53 0.05 0.00 -0.40 -0.57 0.00 0.00 179.45 179.05 1pfw n ASP 284 N -4.49 3.30 -4.77 0.86 5.75 -1.26 -4.77 116.55 111.17 1pfw n ASP 284 Ca 0.02 -2.40 -0.41 0.00 -0.01 0.00 0.00 54.79 51.99 1pfw n ASP 284 Cb 0.25 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1pfw n ASP 284 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1pfw s SER 285 N -0.56 6.29 0.00 -1.12 0.15 -0.73 -4.91 113.70 112.82 1pfw s SER 285 Ca 0.29 2.96 0.18 0.00 0.70 0.00 0.00 55.95 60.08 1pfw s SER 285 Cb 0.21 -2.66 0.35 0.00 -1.71 0.00 0.00 66.02 62.20 1pfw s SER 285 CO 0.11 -0.90 1.27 0.35 1.20 0.00 0.00 173.24 175.27 1pfw n THR 286 N 0.34 0.58 -2.56 6.45 -2.24 -1.26 -4.96 114.28 110.62 1pfw n THR 286 Ca 0.02 -0.79 -0.29 0.00 -2.27 0.00 0.00 64.05 60.72 1pfw n THR 286 Cb 0.40 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1pfw n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfw s ALA 287 N -1.21 3.30 -0.10 6.98 0.00 -1.26 -4.78 121.76 124.70 1pfw s ALA 287 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 1pfw s ALA 287 Cb 0.18 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1pfw s ALA 287 CO 0.24 -0.28 0.08 -1.21 0.00 0.00 0.00 175.76 174.59 1pfw s GLU 288 N -4.45 3.22 -0.15 0.00 2.02 0.23 -5.00 118.70 114.57 1pfw s GLU 288 Ca 0.51 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.23 1pfw s GLU 288 Cb -0.10 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.15 1pfw s GLU 288 CO 0.41 0.74 -0.16 -1.17 0.02 0.00 0.00 175.26 175.09 1pfw s LEU 289 N -1.01 1.83 -0.03 1.80 2.96 -1.26 -0.54 118.68 122.42 1pfw s LEU 289 Ca 0.15 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1pfw s LEU 289 Cb -0.12 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1pfw s LEU 289 CO 0.04 -0.02 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.58 1pfw s TYR 290 N 1.34 1.53 -0.18 5.38 1.51 -0.19 -0.28 117.35 126.46 1pfw s TYR 290 Ca 0.03 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1pfw s TYR 290 Cb -0.13 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1pfw s TYR 290 CO -0.10 -0.11 -0.16 -1.01 -1.11 0.00 0.00 175.55 173.06 1pfw s HIS 291 N -0.07 2.80 -0.22 2.71 3.76 -1.14 -1.44 115.29 121.69 1pfw s HIS 291 Ca -0.00 -1.35 -0.17 0.00 -0.15 0.00 0.00 55.06 53.39 1pfw s HIS 291 Cb -0.09 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 1pfw s HIS 291 CO 0.01 -0.67 0.44 -0.06 -0.85 0.00 0.00 174.74 173.62 1pfw s PHE 292 N 1.18 3.33 0.17 1.40 0.40 -0.36 -0.73 117.98 123.37 1pfw s PHE 292 Ca 0.02 0.62 -0.04 0.00 -0.60 0.00 0.00 56.93 56.93 1pfw s PHE 292 Cb -0.14 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 1pfw s PHE 292 CO -0.07 -0.11 0.17 0.96 0.70 0.00 0.00 175.22 176.87 1pfw s ILE 293 N 1.68 0.05 0.45 0.64 -4.36 -0.50 -2.78 121.20 116.37 1pfw s ILE 293 Ca 0.20 -1.77 0.05 0.00 -0.26 0.00 0.00 60.65 58.87 1pfw s ILE 293 Cb -0.15 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.41 1pfw s ILE 293 CO 0.09 -0.23 0.62 -0.83 0.24 0.00 0.00 174.94 174.82 1pfw s GLY 294 N -3.06 1.84 0.38 6.27 0.00 -1.26 -1.77 107.32 109.72 1pfw s GLY 294 Ca 0.27 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.56 1pfw s GLY 294 CO 0.05 -1.31 1.97 0.50 0.00 0.00 0.00 173.10 174.31 1pfw h LYS 295 N 0.50 0.64 0.00 2.90 1.57 -1.84 -2.87 116.57 117.47 1pfw h LYS 295 Ca -0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1pfw h LYS 295 Cb 1.28 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1pfw h LYS 295 CO 0.49 0.42 0.00 -0.25 -0.57 0.00 0.00 179.45 179.54 1pfw n ASP 296 N -4.48 0.00 -0.41 0.86 8.00 -1.26 -3.14 116.55 116.11 1pfw n ASP 296 Ca 0.10 0.49 0.07 0.00 0.71 0.00 0.00 54.79 56.16 1pfw n ASP 296 Cb 0.25 -0.49 0.13 0.00 -0.02 0.00 0.00 41.12 40.98 1pfw n ASP 296 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1pfw n ILE 297 N -1.49 1.51 -0.05 0.53 -5.35 -1.08 -4.77 119.36 108.66 1pfw n ILE 297 Ca 0.03 -2.07 -0.15 0.00 -0.27 0.00 0.00 62.75 60.29 1pfw n ILE 297 Cb 0.15 -0.01 -0.06 0.00 -1.74 0.00 0.00 39.64 37.98 1pfw n ILE 297 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1pfw h VAL 298 N 2.01 1.31 -0.32 7.28 2.07 -1.64 -2.33 116.25 124.62 1pfw h VAL 298 Ca -0.02 -1.75 0.06 0.00 0.82 0.00 0.00 66.70 65.80 1pfw h VAL 298 Cb 1.14 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.74 1pfw h VAL 298 CO 0.01 0.55 -0.03 0.22 0.02 0.00 0.00 177.57 178.35 1pfw h TYR 299 N 0.41 -0.07 -0.12 1.57 3.20 -1.86 0.85 116.97 120.96 1pfw h TYR 299 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1pfw h TYR 299 Cb 1.15 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1pfw h TYR 299 CO 0.09 -0.08 0.07 0.35 -1.64 0.00 0.00 178.16 176.95 1pfw h PHE 300 N 0.06 0.15 0.00 -3.82 3.57 -1.90 -1.48 116.94 113.53 1pfw h PHE 300 Ca 0.16 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1pfw h PHE 300 Cb 0.22 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1pfw h PHE 300 CO -0.26 0.13 -0.21 0.45 -2.23 0.00 0.00 178.31 176.19 1pfw h HIS 301 N 0.13 0.00 0.00 0.41 3.86 -1.13 -1.24 115.15 117.18 1pfw h HIS 301 Ca 0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1pfw h HIS 301 Cb 0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 1pfw h HIS 301 CO -0.06 0.21 -1.70 -1.13 0.86 0.00 0.00 177.93 176.10 1pfw n SER 302 N -3.25 0.26 0.02 2.45 3.41 0.27 -4.24 113.62 112.54 1pfw n SER 302 Ca 0.01 0.10 -0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1pfw n SER 302 Cb 0.50 1.50 -0.00 0.00 -0.26 0.00 0.00 64.21 65.95 1pfw n SER 302 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pfw n LEU 303 N -2.40 0.67 0.06 1.04 4.77 -0.56 -4.69 117.00 115.89 1pfw n LEU 303 Ca -0.03 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1pfw n LEU 303 Cb 0.58 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1pfw n LEU 303 CO 0.44 -0.62 0.86 0.15 -1.33 0.00 0.00 177.39 176.88 1pfw h PHE 304 N -0.05 -0.06 0.45 -1.77 3.04 -1.60 -2.76 116.94 114.20 1pfw h PHE 304 Ca 0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1pfw h PHE 304 Cb 0.05 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1pfw h PHE 304 CO -0.02 -0.04 -0.23 2.35 -2.02 0.00 0.00 178.31 178.35 1pfw h TRP 305 N -0.06 -0.61 -0.45 0.41 -0.00 -1.46 -0.79 115.95 112.99 1pfw h TRP 305 Ca -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1pfw h TRP 305 Cb 0.05 0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.39 1pfw h TRP 305 CO -0.08 -0.37 0.26 -1.35 -0.00 0.00 0.00 178.44 176.90 1pfw h PRO 306 N -0.63 0.60 -0.53 2.65 0.11 -1.74 -1.35 132.00 131.12 1pfw h PRO 306 Ca -0.06 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.92 1pfw h PRO 306 Cb 0.49 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1pfw h PRO 306 CO 0.09 0.44 0.02 0.00 -0.21 0.00 0.00 178.00 178.33 1pfw h ALA 307 N 1.67 0.72 -0.63 -0.75 0.00 -1.28 -0.83 119.26 118.16 1pfw h ALA 307 Ca 0.16 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1pfw h ALA 307 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1pfw h ALA 307 CO -0.03 0.52 0.07 1.98 0.00 0.00 0.00 179.25 181.79 1pfw h MET 308 N 0.81 1.07 -0.31 0.00 -1.53 -0.43 -0.82 114.93 113.70 1pfw h MET 308 Ca 0.15 -0.30 -0.04 0.00 -3.44 0.00 0.00 59.70 56.08 1pfw h MET 308 Cb 0.50 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 1pfw h MET 308 CO 0.02 1.00 0.06 -0.07 0.14 0.00 0.00 176.91 178.06 1pfw h LEU 309 N 0.98 0.49 -0.18 3.39 3.38 -1.10 -2.26 115.31 120.01 1pfw h LEU 309 Ca 0.19 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1pfw h LEU 309 Cb 0.47 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1pfw h LEU 309 CO 0.02 0.62 0.04 -0.08 0.09 0.00 0.00 178.44 179.13 1pfw h GLU 310 N 0.35 0.11 0.00 1.13 4.57 -0.99 -0.12 114.58 119.63 1pfw h GLU 310 Ca 0.10 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1pfw h GLU 310 Cb 0.33 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1pfw h GLU 310 CO 0.00 0.07 0.00 0.78 -1.18 0.00 0.00 179.01 178.68 1pfw h GLY 311 N 0.11 0.00 -1.40 1.92 0.00 -1.04 -2.65 103.07 100.00 1pfw h GLY 311 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1pfw h GLY 311 CO -0.10 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.30 1pfw n SER 312 N -2.64 3.68 -3.38 0.19 3.41 -0.85 -4.24 113.62 109.78 1pfw n SER 312 Ca 0.00 -2.99 -0.23 0.00 -0.26 0.00 0.00 58.87 55.39 1pfw n SER 312 Cb 0.18 -0.52 0.07 0.00 -0.26 0.00 0.00 64.21 63.68 1pfw n SER 312 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pfw n ASN 313 N -0.59 -6.16 -4.47 4.04 4.05 -0.91 -4.99 115.26 106.24 1pfw n ASN 313 Ca 0.20 -0.49 -0.24 0.00 0.45 0.00 0.00 54.58 54.50 1pfw n ASN 313 Cb 0.85 -4.80 -0.10 0.00 1.23 0.00 0.00 39.78 36.96 1pfw n ASN 313 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1pfw s PHE 314 N -3.29 2.32 0.77 1.20 0.40 -0.11 -4.31 117.98 114.96 1pfw s PHE 314 Ca 0.53 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 56.43 1pfw s PHE 314 Cb -0.23 -1.03 0.06 0.00 0.51 0.00 0.00 43.02 42.32 1pfw s PHE 314 CO 0.66 0.68 1.09 -0.98 0.70 0.00 0.00 175.22 177.37 1pfw s ARG 315 N -3.37 2.27 0.38 0.44 1.04 -0.45 -4.07 118.95 115.19 1pfw s ARG 315 Ca 0.28 1.17 0.08 0.00 -1.04 0.00 0.00 55.73 56.22 1pfw s ARG 315 Cb -0.06 -1.90 -0.02 0.00 -2.04 0.00 0.00 34.95 30.94 1pfw s ARG 315 CO 0.14 -1.63 0.36 0.15 -0.04 0.00 0.00 175.30 174.28 1pfw s LYS 316 N -4.89 2.66 0.36 3.89 1.02 -1.26 -4.84 119.74 116.68 1pfw s LYS 316 Ca 0.61 -1.39 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 1pfw s LYS 316 Cb -0.17 -2.47 -0.12 0.00 -0.52 0.00 0.00 37.83 34.55 1pfw s LYS 316 CO 0.56 -0.07 1.40 -2.30 -0.92 0.00 0.00 175.35 174.02 1pfw n PRO 317 N -1.50 2.42 0.01 -1.68 -0.02 -1.26 -4.84 135.00 128.13 1pfw n PRO 317 Ca 0.01 0.85 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1pfw n PRO 317 Cb 0.60 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1pfw n PRO 317 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1pfw h SER 318 N 2.83 0.67 -4.75 2.55 0.02 -1.03 -3.47 113.55 110.38 1pfw h SER 318 Ca -0.48 -0.41 0.09 0.00 -0.84 0.00 0.00 61.79 60.14 1pfw h SER 318 Cb 1.26 -0.20 -0.14 0.00 0.14 0.00 0.00 62.40 63.46 1pfw h SER 318 CO 0.64 1.16 0.43 0.21 -1.14 0.00 0.00 176.83 178.13 1pfw s ASN 319 N -6.99 -0.40 -0.10 3.07 3.84 -1.12 -4.94 114.94 108.30 1pfw s ASN 319 Ca -0.08 -0.02 0.03 0.00 0.21 0.00 0.00 52.86 53.00 1pfw s ASN 319 Cb 0.10 0.44 -0.01 0.00 -0.55 0.00 0.00 41.25 41.23 1pfw s ASN 319 CO 0.86 -0.71 -0.19 -0.76 -2.79 0.00 0.00 177.10 173.51 1pfw s LEU 320 N -2.56 2.39 -0.39 3.21 1.43 -1.26 -2.87 118.68 118.64 1pfw s LEU 320 Ca 0.05 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1pfw s LEU 320 Cb -0.01 -1.50 0.09 0.00 0.03 0.00 0.00 46.19 44.80 1pfw s LEU 320 CO -0.09 0.19 0.17 -0.36 0.23 0.00 0.00 176.35 176.49 1pfw s PHE 321 N 0.17 3.46 -0.16 0.29 2.99 0.09 -4.59 117.98 120.23 1pfw s PHE 321 Ca -0.11 -2.08 -0.08 0.00 0.00 0.00 0.00 56.93 54.66 1pfw s PHE 321 Cb -0.16 -2.90 -0.04 0.00 0.00 0.00 0.00 43.02 39.91 1pfw s PHE 321 CO 0.06 -0.90 0.13 0.08 -0.00 0.00 0.00 175.22 174.58 1pfw s VAL 322 N 1.23 5.38 0.32 -0.44 1.01 -1.26 -1.42 120.40 125.22 1pfw s VAL 322 Ca 0.04 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1pfw s VAL 322 Cb -0.22 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1pfw s VAL 322 CO -0.02 0.53 -0.05 -1.38 0.00 0.00 0.00 175.10 174.18 1pfw s HIS 323 N -0.32 2.50 0.00 5.22 -3.43 -0.73 -4.23 115.29 114.30 1pfw s HIS 323 Ca 0.11 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1pfw s HIS 323 Cb -0.12 -1.32 0.00 0.00 -1.43 0.00 0.00 32.58 29.72 1pfw s HIS 323 CO 0.01 0.57 0.00 0.41 -2.00 0.00 0.00 174.74 173.73 1pfw n GLY 324 N -0.85 0.09 3.89 -1.38 0.00 -1.13 -2.96 105.19 102.85 1pfw n GLY 324 Ca -0.05 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1pfw n GLY 324 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pfw s TYR 325 N -0.13 3.26 -0.13 1.61 4.12 -1.26 -4.73 117.35 120.10 1pfw s TYR 325 Ca 0.00 0.95 -0.05 0.00 0.02 0.00 0.00 57.07 57.99 1pfw s TYR 325 Cb 0.00 -3.08 -0.04 0.00 -1.52 0.00 0.00 41.96 37.32 1pfw s TYR 325 CO 0.00 -1.21 0.05 0.08 0.02 0.00 0.00 175.55 174.49 1pfw s VAL 326 N -3.34 4.72 0.20 0.71 1.01 -1.26 -0.37 120.40 122.07 1pfw s VAL 326 Ca 0.58 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.58 1pfw s VAL 326 Cb -0.11 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1pfw s VAL 326 CO 0.50 0.56 -0.19 0.42 0.00 0.00 0.00 175.10 176.40 1pfw s THR 327 N -0.48 2.01 -0.13 3.92 -4.23 -0.43 -4.51 115.64 111.80 1pfw s THR 327 Ca 0.10 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1pfw s THR 327 Cb -0.12 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.73 1pfw s THR 327 CO 0.02 -0.35 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.90 1pfw s VAL 328 N -2.25 1.60 -1.56 2.29 1.01 0.29 -0.28 120.40 121.50 1pfw s VAL 328 Ca 0.20 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1pfw s VAL 328 Cb -0.05 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1pfw s VAL 328 CO 0.09 0.46 0.53 0.59 0.00 0.00 0.00 175.10 176.77 1pfw n ASN 329 N 4.38 -5.90 0.00 3.32 3.02 -0.26 -2.41 115.26 117.40 1pfw n ASN 329 Ca -0.18 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1pfw n ASN 329 Cb 0.51 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 1pfw n ASN 329 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pfw n GLY 330 N -1.44 1.97 3.42 7.41 0.00 -1.26 -5.03 105.19 110.27 1pfw n GLY 330 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1pfw n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfw s ALA 331 N -2.64 2.32 0.48 4.61 0.00 -1.01 -5.00 121.76 120.51 1pfw s ALA 331 Ca 0.00 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 49.83 1pfw s ALA 331 Cb 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.26 1pfw s ALA 331 CO 0.00 -0.09 1.14 1.17 0.00 0.00 0.00 175.76 177.97 1pfw n LYS 332 N -0.58 1.50 -1.63 0.00 4.81 -1.26 -0.55 118.16 120.45 1pfw n LYS 332 Ca -0.05 0.54 -0.46 0.00 -0.87 0.00 0.00 58.31 57.47 1pfw n LYS 332 Cb 0.64 -2.26 -0.03 0.00 0.02 0.00 0.00 35.03 33.40 1pfw n LYS 332 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1pfw n MET 333 N -0.29 1.67 -4.16 1.64 2.81 -1.26 -4.72 117.12 112.81 1pfw n MET 333 Ca 0.09 0.59 -0.30 0.00 -1.81 0.00 0.00 57.70 56.27 1pfw n MET 333 Cb 0.42 -2.14 -0.16 0.00 -0.71 0.00 0.00 33.22 30.62 1pfw n MET 333 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pfw s SER 334 N -0.02 2.73 0.18 7.83 0.15 -1.26 -4.77 113.70 118.54 1pfw s SER 334 Ca 0.66 -0.51 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 1pfw s SER 334 Cb -0.71 -1.22 0.08 0.00 -1.71 0.00 0.00 66.02 62.46 1pfw s SER 334 CO 0.54 -0.03 1.77 0.11 1.20 0.00 0.00 173.24 176.83 1pfw h LYS 335 N 7.87 0.86 -0.03 5.44 1.57 -1.92 -0.24 116.57 130.12 1pfw h LYS 335 Ca -0.38 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 1pfw h LYS 335 Cb 1.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1pfw h LYS 335 CO 0.54 0.68 -0.22 0.66 -0.57 0.00 0.00 179.45 180.54 1pfw h SER 336 N 0.82 0.05 0.21 0.86 4.64 -1.94 -2.17 113.55 116.01 1pfw h SER 336 Ca 0.21 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pfw h SER 336 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1pfw h SER 336 CO -0.03 0.27 -0.24 0.54 -0.87 0.00 0.00 176.83 176.50 1pfw n ARG 337 N -4.26 0.93 -1.20 4.77 1.74 -1.08 -4.94 116.66 112.63 1pfw n ARG 337 Ca -0.02 -0.56 -0.03 0.00 -0.77 0.00 0.00 57.85 56.47 1pfw n ARG 337 Cb 0.29 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1pfw n ARG 337 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pfw n GLY 338 N 1.33 0.59 0.98 -0.13 0.00 -0.80 -4.89 105.19 102.26 1pfw n GLY 338 Ca 0.13 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.35 1pfw n GLY 338 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pfw n THR 339 N -3.03 0.21 -2.95 2.61 -2.24 -0.17 -4.49 114.28 104.23 1pfw n THR 339 Ca -0.03 -0.61 -0.44 0.00 -2.27 0.00 0.00 64.05 60.70 1pfw n THR 339 Cb 0.16 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 1pfw n THR 339 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pfw s PHE 340 N -1.68 2.96 -0.20 4.78 5.36 -1.12 -4.27 117.98 123.81 1pfw s PHE 340 Ca 0.30 -1.04 -0.07 0.00 -0.96 0.00 0.00 56.93 55.16 1pfw s PHE 340 Cb 0.20 -4.23 -0.03 0.00 -0.34 0.00 0.00 43.02 38.62 1pfw s PHE 340 CO 0.29 -1.50 0.05 0.42 -1.46 0.00 0.00 175.22 173.01 1pfw s ILE 341 N 3.09 4.42 0.43 3.12 1.01 -1.26 -4.91 121.20 127.11 1pfw s ILE 341 Ca 0.25 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1pfw s ILE 341 Cb -0.12 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 1pfw s ILE 341 CO 0.00 0.42 0.91 -0.54 0.00 0.00 0.00 174.94 175.73 1pfw s LYS 342 N 0.86 4.08 0.20 2.79 1.02 -1.26 -1.29 119.74 126.15 1pfw s LYS 342 Ca 0.03 0.95 -0.11 0.00 0.02 0.00 0.00 55.97 56.86 1pfw s LYS 342 Cb -0.14 -2.22 0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1pfw s LYS 342 CO 0.02 -0.07 1.86 0.00 -0.92 0.00 0.00 175.35 176.25 1pfw h ALA 343 N 1.64 0.89 -0.76 5.17 0.00 -1.26 -1.33 119.26 123.60 1pfw h ALA 343 Ca -0.48 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1pfw h ALA 343 Cb 1.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1pfw h ALA 343 CO 0.62 0.32 0.31 0.66 0.00 0.00 0.00 179.25 181.16 1pfw h SER 344 N 0.95 1.04 -0.41 0.00 4.64 -1.93 -2.82 113.55 115.02 1pfw h SER 344 Ca 0.25 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1pfw h SER 344 Cb -0.09 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.71 1pfw h SER 344 CO -0.05 0.91 0.04 0.74 -0.87 0.00 0.00 176.83 177.60 1pfw h THR 345 N 1.10 1.25 -0.64 2.95 2.02 -1.83 -3.01 112.91 114.75 1pfw h THR 345 Ca 0.26 -0.94 0.11 0.00 0.77 0.00 0.00 66.41 66.61 1pfw h THR 345 Cb 0.20 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 1pfw h THR 345 CO -0.02 0.32 0.22 -0.25 0.37 0.00 0.00 175.52 176.16 1pfw h TRP 346 N 0.54 0.38 0.00 3.16 2.91 -1.02 -0.81 115.95 121.11 1pfw h TRP 346 Ca 0.12 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1pfw h TRP 346 Cb 0.42 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1pfw h TRP 346 CO 0.03 0.06 0.00 -0.07 -1.03 0.00 0.00 178.44 177.44 1pfw h LEU 347 N 0.38 0.00 -1.02 0.65 3.38 -1.37 0.36 115.31 117.70 1pfw h LEU 347 Ca 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1pfw h LEU 347 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1pfw h LEU 347 CO -0.35 0.00 -0.13 0.78 0.09 0.00 0.00 178.44 178.84 1pfw h ASN 348 N 0.00 0.00 0.00 -0.43 -0.26 -1.11 -3.36 115.58 110.42 1pfw h ASN 348 Ca 0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.56 1pfw h ASN 348 Cb 0.22 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.45 1pfw h ASN 348 CO 0.00 0.13 -1.67 1.41 -1.06 0.00 0.00 177.43 176.23 1pfw n HIS 349 N -3.23 0.00 -4.36 1.19 8.25 -0.51 -5.08 115.22 111.48 1pfw n HIS 349 Ca 0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.29 1pfw n HIS 349 Cb 0.42 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 30.96 1pfw n HIS 349 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1pfw s PHE 350 N -2.24 1.66 0.73 4.41 0.40 0.00 -5.05 117.98 117.89 1pfw s PHE 350 Ca -0.15 -1.08 -0.05 0.00 -0.60 0.00 0.00 56.93 55.06 1pfw s PHE 350 Cb 0.04 -1.01 0.10 0.00 0.51 0.00 0.00 43.02 42.66 1pfw s PHE 350 CO 0.29 -0.19 1.02 0.16 0.70 0.00 0.00 175.22 177.19 1pfw s ASP 351 N -3.36 4.45 0.12 1.36 -4.77 -1.26 -4.11 116.67 109.11 1pfw s ASP 351 Ca 0.36 0.06 -0.11 0.00 -3.30 0.00 0.00 52.55 49.55 1pfw s ASP 351 Cb 0.08 -0.55 -0.10 0.00 -1.09 0.00 0.00 42.92 41.26 1pfw s ASP 351 CO 0.13 -1.80 1.39 0.00 0.70 0.00 0.00 175.17 175.59 1pfw h ALA 352 N -0.63 0.44 -0.84 2.11 0.00 -1.95 -3.27 119.26 115.12 1pfw h ALA 352 Ca -0.41 -0.54 0.11 0.00 0.00 0.00 0.00 54.91 54.08 1pfw h ALA 352 Cb 1.28 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1pfw h ALA 352 CO 0.48 0.68 0.55 -0.44 0.00 0.00 0.00 179.25 180.52 1pfw h ASP 353 N 0.64 0.68 -0.11 0.00 3.32 -1.92 -1.63 116.42 117.40 1pfw h ASP 353 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pfw h ASP 353 Cb 1.22 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1pfw h ASP 353 CO 0.13 0.38 0.07 0.77 -1.72 0.00 0.00 179.24 178.87 1pfw h SER 354 N 0.74 0.12 -0.35 6.45 4.64 -1.96 0.14 113.55 123.33 1pfw h SER 354 Ca 0.40 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 1pfw h SER 354 Cb 0.53 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1pfw h SER 354 CO -0.17 0.09 -0.36 0.25 -0.87 0.00 0.00 176.83 175.77 1pfw h LEU 355 N 0.14 0.95 -0.38 5.97 5.85 -1.64 -1.91 115.31 124.30 1pfw h LEU 355 Ca 0.04 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1pfw h LEU 355 Cb -0.01 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1pfw h LEU 355 CO -0.01 1.21 0.18 0.03 -0.34 0.00 0.00 178.44 179.50 1pfw h ARG 356 N 0.74 0.35 -0.04 1.25 3.08 -1.07 -0.92 114.38 117.78 1pfw h ARG 356 Ca 0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1pfw h ARG 356 Cb 0.94 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 1pfw h ARG 356 CO 0.09 0.23 0.02 -0.92 -1.07 0.00 0.00 179.97 178.32 1pfw h TYR 357 N 0.36 0.06 -0.17 3.04 3.20 -0.87 -1.39 116.97 121.22 1pfw h TYR 357 Ca 0.16 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1pfw h TYR 357 Cb 0.09 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1pfw h TYR 357 CO -0.11 0.15 -0.01 -0.92 -1.64 0.00 0.00 178.16 175.63 1pfw h TYR 358 N -0.04 -0.03 -0.41 -3.82 3.20 -1.06 0.25 116.97 115.07 1pfw h TYR 358 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1pfw h TYR 358 Cb 0.11 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1pfw h TYR 358 CO -0.04 -0.04 0.27 1.88 -1.64 0.00 0.00 178.16 178.59 1pfw h TYR 359 N 0.04 0.51 -0.71 -3.82 0.99 -1.15 -2.61 116.97 110.22 1pfw h TYR 359 Ca 0.08 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1pfw h TYR 359 Cb 0.10 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 37.63 1pfw h TYR 359 CO -0.17 0.32 0.40 1.15 -0.00 0.00 0.00 178.16 179.86 1pfw h THR 360 N 0.55 1.21 0.00 -2.88 2.02 -0.82 -0.61 112.91 112.38 1pfw h THR 360 Ca 0.15 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1pfw h THR 360 Cb -0.06 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1pfw h THR 360 CO -0.03 0.23 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 1pfw h ALA 361 N 1.46 1.02 0.00 6.16 0.00 -0.58 -2.99 119.26 124.32 1pfw h ALA 361 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pfw h ALA 361 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pfw h ALA 361 CO -0.04 0.02 -1.17 1.63 0.00 0.00 0.00 179.25 179.69 1pfw n LYS 362 N -3.13 1.20 -2.48 0.00 5.02 -0.70 -4.37 118.16 113.71 1pfw n LYS 362 Ca -0.00 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 1pfw n LYS 362 Cb 0.24 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 1pfw n LYS 362 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pfw s LEU 363 N -3.33 3.81 0.00 -0.35 1.43 -0.32 -4.81 118.68 115.12 1pfw s LEU 363 Ca 0.01 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1pfw s LEU 363 Cb 0.12 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.77 1pfw s LEU 363 CO 0.67 -0.86 0.18 -1.54 0.23 0.00 0.00 176.35 175.04 1pfw n SER 364 N -1.08 -0.50 -0.14 2.29 3.41 -1.26 0.37 113.62 116.71 1pfw n SER 364 Ca 0.09 -1.83 0.15 0.00 -0.26 0.00 0.00 58.87 57.03 1pfw n SER 364 Cb 0.52 0.97 0.81 0.00 -0.26 0.00 0.00 64.21 66.25 1pfw n SER 364 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pfw n SER 365 N -2.07 0.46 -4.94 4.04 3.41 -1.15 -4.75 113.62 108.62 1pfw n SER 365 Ca 0.01 -1.12 -0.21 0.00 -0.26 0.00 0.00 58.87 57.30 1pfw n SER 365 Cb 0.25 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1pfw n SER 365 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pfw s ARG 366 N -2.03 2.43 -0.20 4.33 0.52 -1.26 -4.95 118.95 117.79 1pfw s ARG 366 Ca 0.44 -0.96 0.11 0.00 -0.52 0.00 0.00 55.73 54.80 1pfw s ARG 366 Cb 0.22 -2.51 0.67 0.00 0.52 0.00 0.00 34.95 33.85 1pfw s ARG 366 CO 0.37 -0.77 1.54 0.44 0.02 0.00 0.00 175.30 176.89 1pfw n ILE 367 N -2.34 2.30 -2.03 1.52 -5.35 -1.26 -4.63 119.36 107.57 1pfw n ILE 367 Ca 0.10 -1.17 -0.36 0.00 -0.27 0.00 0.00 62.75 61.04 1pfw n ILE 367 Cb 0.60 -0.33 0.03 0.00 -1.74 0.00 0.00 39.64 38.20 1pfw n ILE 367 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1pfw s ASP 368 N -0.65 5.33 0.64 7.28 -0.00 -1.26 -2.82 116.67 125.19 1pfw s ASP 368 Ca 0.45 2.41 -0.17 0.00 -0.00 0.00 0.00 52.55 55.24 1pfw s ASP 368 Cb 0.35 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.65 1pfw s ASP 368 CO 0.13 -1.50 1.21 -1.81 -0.00 0.00 0.00 175.17 173.20 1pfw s ASP 369 N -1.50 4.85 -0.20 0.27 -0.00 -1.26 -3.28 116.67 115.56 1pfw s ASP 369 Ca 0.75 2.37 -0.03 0.00 -0.00 0.00 0.00 52.55 55.65 1pfw s ASP 369 Cb -0.31 -2.59 -0.01 0.00 -0.00 0.00 0.00 42.92 40.01 1pfw s ASP 369 CO 0.35 -1.82 -0.07 -0.63 -0.00 0.00 0.00 175.17 172.99 1pfw s ILE 370 N -1.74 3.21 -0.22 0.77 -1.09 0.50 -4.91 121.20 117.71 1pfw s ILE 370 Ca 0.76 -0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 58.52 1pfw s ILE 370 Cb -0.30 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.10 1pfw s ILE 370 CO 0.38 0.46 0.14 -0.62 -1.23 0.00 0.00 174.94 174.07 1pfw s ASP 371 N 1.18 6.07 -0.72 3.58 3.68 -1.26 -1.31 116.67 127.89 1pfw s ASP 371 Ca 0.02 0.13 -0.16 0.00 2.13 0.00 0.00 52.55 54.67 1pfw s ASP 371 Cb -0.14 -2.08 0.17 0.00 -1.45 0.00 0.00 42.92 39.41 1pfw s ASP 371 CO -0.02 0.10 0.71 -0.22 0.13 0.00 0.00 175.17 175.87 1pfw s LEU 372 N 0.83 6.30 -0.37 -1.34 2.96 0.61 -4.95 118.68 122.73 1pfw s LEU 372 Ca 0.07 -2.23 -0.23 0.00 -0.22 0.00 0.00 54.13 51.53 1pfw s LEU 372 Cb -0.13 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.34 1pfw s LEU 372 CO 0.02 -0.76 0.77 0.21 -1.32 0.00 0.00 176.35 175.27 1pfw s ASN 373 N 2.88 6.53 0.28 3.68 3.84 -1.26 -1.10 114.94 129.79 1pfw s ASN 373 Ca 0.14 0.29 -0.03 0.00 0.21 0.00 0.00 52.86 53.47 1pfw s ASN 373 Cb -0.17 -2.39 0.39 0.00 -0.55 0.00 0.00 41.25 38.53 1pfw s ASN 373 CO -0.04 -0.73 1.94 -0.07 -2.79 0.00 0.00 177.10 175.41 1pfw h LEU 374 N 9.74 1.02 -0.30 3.21 3.38 -1.96 0.18 115.31 130.59 1pfw h LEU 374 Ca -0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1pfw h LEU 374 Cb 1.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1pfw h LEU 374 CO 0.91 0.73 0.10 -0.33 0.09 0.00 0.00 178.44 179.93 1pfw h GLU 375 N 1.20 0.46 -0.31 1.13 4.39 -2.01 -2.61 114.58 116.84 1pfw h GLU 375 Ca 0.34 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.89 1pfw h GLU 375 Cb -0.09 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1pfw h GLU 375 CO -0.09 0.51 -0.06 0.22 -1.16 0.00 0.00 179.01 178.43 1pfw h ASP 376 N 0.32 0.47 -0.09 1.42 3.58 -1.84 -2.67 116.42 117.62 1pfw h ASP 376 Ca 0.10 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1pfw h ASP 376 Cb 0.24 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1pfw h ASP 376 CO -0.00 0.59 -0.09 0.15 -2.88 0.00 0.00 179.24 177.01 1pfw h PHE 377 N 0.47 -0.22 -0.19 0.28 3.57 -0.33 0.26 116.94 120.78 1pfw h PHE 377 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1pfw h PHE 377 Cb 0.41 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1pfw h PHE 377 CO 0.01 -0.14 0.12 0.28 -2.23 0.00 0.00 178.31 176.36 1pfw h VAL 378 N -0.11 1.04 -0.36 1.41 2.07 -1.25 -1.69 116.25 117.37 1pfw h VAL 378 Ca 0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1pfw h VAL 378 Cb 0.21 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1pfw h VAL 378 CO -0.16 0.05 0.19 1.56 0.02 0.00 0.00 177.57 179.23 1pfw h GLN 379 N 0.25 0.50 -0.37 1.57 1.08 -1.15 -2.41 115.11 114.59 1pfw h GLN 379 Ca 0.07 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1pfw h GLN 379 Cb -0.03 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1pfw h GLN 379 CO -0.02 0.42 0.05 0.00 -0.95 0.00 0.00 178.83 178.34 1pfw h ARG 380 N 0.45 0.61 -0.15 1.46 2.47 -0.39 -0.21 114.38 118.63 1pfw h ARG 380 Ca 0.13 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1pfw h ARG 380 Cb 0.06 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1pfw h ARG 380 CO -0.02 0.68 0.06 0.28 0.56 0.00 0.00 179.97 181.53 1pfw h VAL 381 N 0.45 1.16 -0.58 2.04 2.07 -1.31 0.30 116.25 120.38 1pfw h VAL 381 Ca 0.11 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1pfw h VAL 381 Cb 0.37 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1pfw h VAL 381 CO 0.01 0.15 0.24 0.78 0.02 0.00 0.00 177.57 178.76 1pfw h ASN 382 N 0.08 0.79 -0.16 0.57 2.35 -1.41 -1.08 115.58 116.72 1pfw h ASN 382 Ca 0.05 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1pfw h ASN 382 Cb 0.18 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1pfw h ASN 382 CO -0.00 0.74 -0.09 0.00 -1.65 0.00 0.00 177.43 176.43 1pfw h ALA 383 N 1.08 0.22 0.00 -0.83 0.00 -0.92 -0.76 119.26 118.05 1pfw h ALA 383 Ca 0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1pfw h ALA 383 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pfw h ALA 383 CO -0.02 0.04 -0.54 -0.44 0.00 0.00 0.00 179.25 178.30 1pfw h ASP 384 N 0.01 0.00 0.24 0.00 3.32 -0.95 -2.84 116.42 116.21 1pfw h ASP 384 Ca 0.03 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 1pfw h ASP 384 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1pfw h ASP 384 CO 0.03 1.04 -0.12 0.40 -1.72 0.00 0.00 179.24 178.87 1pfw h ILE 385 N -1.00 0.43 0.22 0.35 2.04 -1.35 -1.93 117.51 116.26 1pfw h ILE 385 Ca -0.12 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1pfw h ILE 385 Cb 0.85 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1pfw h ILE 385 CO -0.07 0.11 -0.10 0.58 0.00 0.00 0.00 178.15 178.67 1pfw h VAL 386 N -1.00 0.84 0.00 1.67 2.07 -1.49 0.79 116.25 119.13 1pfw h VAL 386 Ca -0.03 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1pfw h VAL 386 Cb 0.44 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1pfw h VAL 386 CO 0.05 0.16 -0.38 0.78 0.02 0.00 0.00 177.57 178.21 1pfw h ASN 387 N -0.72 0.00 0.00 0.57 4.21 -1.18 -1.98 115.58 116.48 1pfw h ASN 387 Ca -0.03 -0.12 -0.15 0.00 1.21 0.00 0.00 56.30 57.21 1pfw h ASN 387 Cb 0.49 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.67 1pfw h ASN 387 CO 0.05 0.06 -1.30 0.29 -1.29 0.00 0.00 177.43 175.24 1pfw n LYS 388 N -2.23 0.33 -0.05 0.81 5.02 -1.07 -4.57 118.16 116.40 1pfw n LYS 388 Ca 0.04 0.14 -0.01 0.00 -2.02 0.00 0.00 58.31 56.46 1pfw n LYS 388 Cb 0.44 -1.07 -0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1pfw n LYS 388 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pfw h VAL 389 N -0.60 0.00 -0.26 -0.18 2.07 -1.35 -3.33 116.25 112.61 1pfw h VAL 389 Ca -0.22 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1pfw h VAL 389 Cb 1.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1pfw h VAL 389 CO -0.14 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.14 1pfw h VAL 390 N -0.88 1.11 -1.00 2.57 2.07 -0.97 -2.37 116.25 116.78 1pfw h VAL 390 Ca 0.00 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.30 1pfw h VAL 390 Cb 0.11 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 1pfw h VAL 390 CO 0.00 0.12 0.63 -1.13 0.02 0.00 0.00 177.57 177.21 1pfw h ASN 391 N 0.36 0.93 -0.67 0.57 -0.00 -1.52 -0.33 115.58 114.91 1pfw h ASN 391 Ca 0.09 0.04 0.10 0.00 -0.00 0.00 0.00 56.30 56.53 1pfw h ASN 391 Cb 0.08 -0.14 -0.04 0.00 -0.00 0.00 0.00 38.32 38.21 1pfw h ASN 391 CO -0.01 0.50 0.45 0.25 -0.00 0.00 0.00 177.43 178.62 1pfw h LEU 392 N 1.00 0.47 0.00 0.34 5.85 -1.53 0.63 115.31 122.08 1pfw h LEU 392 Ca 0.49 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 59.09 1pfw h LEU 392 Cb 0.45 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1pfw h LEU 392 CO -0.26 0.28 -0.70 0.00 -0.34 0.00 0.00 178.44 177.42 1pfw h ALA 393 N 1.66 0.14 -0.08 1.25 0.00 -1.24 -3.34 119.26 117.67 1pfw h ALA 393 Ca 0.31 -0.89 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1pfw h ALA 393 Cb 0.52 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1pfw h ALA 393 CO -0.10 0.39 -0.04 0.66 0.00 0.00 0.00 179.25 180.16 1pfw h SER 394 N -0.98 0.10 1.55 0.00 4.64 -0.92 0.11 113.55 118.05 1pfw h SER 394 Ca -0.19 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1pfw h SER 394 Cb 1.18 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1pfw h SER 394 CO -0.11 0.16 -0.09 0.08 -0.87 0.00 0.00 176.83 176.00 1pfw h ARG 395 N 0.11 0.00 0.00 4.77 0.11 -1.05 -3.38 114.38 114.94 1pfw h ARG 395 Ca 0.03 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.95 1pfw h ARG 395 Cb 0.15 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 1pfw h ARG 395 CO 0.01 0.00 -1.59 0.09 0.10 0.00 0.00 179.97 178.58 1pfw n ASN 396 N -2.50 2.91 -0.36 0.08 3.02 -0.91 -4.72 115.26 112.78 1pfw n ASN 396 Ca 0.05 -0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.63 1pfw n ASN 396 Cb 0.46 0.67 0.20 0.00 -0.61 0.00 0.00 39.78 40.50 1pfw n ASN 396 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pfw h ALA 397 N 0.40 1.44 -0.11 5.41 0.00 -0.97 -3.06 119.26 122.37 1pfw h ALA 397 Ca -0.23 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1pfw h ALA 397 Cb 1.52 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1pfw h ALA 397 CO 0.01 0.39 -0.16 0.78 0.00 0.00 0.00 179.25 180.27 1pfw h GLY 398 N 1.13 -0.12 1.01 0.00 0.00 -1.82 -0.61 103.07 102.66 1pfw h GLY 398 Ca 0.44 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 1pfw h GLY 398 CO -0.19 -0.16 0.47 0.74 0.00 0.00 0.00 176.54 177.40 1pfw h PHE 399 N -0.21 1.08 -0.09 5.60 0.05 -1.85 0.27 116.94 121.78 1pfw h PHE 399 Ca 0.09 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.86 1pfw h PHE 399 Cb 0.34 -0.35 -0.00 0.00 2.00 0.00 0.00 35.95 37.93 1pfw h PHE 399 CO -0.26 0.74 0.04 0.82 -0.18 0.00 0.00 178.31 179.46 1pfw h ILE 400 N 1.11 1.13 -0.35 -0.55 1.08 -1.39 0.13 117.51 118.67 1pfw h ILE 400 Ca 0.29 -0.38 -0.08 0.00 -0.39 0.00 0.00 64.86 64.30 1pfw h ILE 400 Cb -0.01 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1pfw h ILE 400 CO -0.05 0.11 -0.08 0.78 -0.69 0.00 0.00 178.15 178.22 1pfw h ASN 401 N 0.00 0.68 0.49 1.72 2.35 -0.93 -0.51 115.58 119.39 1pfw h ASN 401 Ca 0.03 -0.36 -0.30 0.00 -0.55 0.00 0.00 56.30 55.12 1pfw h ASN 401 Cb 0.14 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1pfw h ASN 401 CO -0.00 0.88 -1.42 0.11 -1.65 0.00 0.00 177.43 175.35 1pfw h LYS 402 N 0.47 0.30 0.00 0.81 1.57 -0.94 -3.25 116.57 115.52 1pfw h LYS 402 Ca 0.09 -0.51 -0.11 0.00 -1.87 0.00 0.00 60.65 58.25 1pfw h LYS 402 Cb 0.58 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1pfw h LYS 402 CO 0.03 1.20 -1.94 0.54 -0.57 0.00 0.00 179.45 178.71 1pfw n ARG 403 N -3.52 0.66 -0.73 3.15 5.12 0.46 -4.62 116.66 117.19 1pfw n ARG 403 Ca -0.14 -0.08 0.06 0.00 -1.93 0.00 0.00 57.85 55.76 1pfw n ARG 403 Cb 1.05 -1.58 0.13 0.00 -1.16 0.00 0.00 32.46 30.89 1pfw n ARG 403 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1pfw n PHE 404 N -2.48 0.00 -2.27 -1.55 3.01 -0.55 -4.99 117.46 108.63 1pfw n PHE 404 Ca -0.11 -1.00 -0.16 0.00 1.01 0.00 0.00 57.45 57.19 1pfw n PHE 404 Cb 0.74 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 40.01 1pfw n PHE 404 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1pfw n ASP 405 N -0.65 -4.60 0.00 4.37 8.00 -1.14 -1.35 116.55 121.18 1pfw n ASP 405 Ca 0.13 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1pfw n ASP 405 Cb 0.80 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 1pfw n ASP 405 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pfw n GLY 406 N -0.79 0.42 3.68 0.44 0.00 -0.31 -4.90 105.19 103.74 1pfw n GLY 406 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1pfw n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pfw s VAL 407 N -1.88 5.29 0.53 1.61 1.01 -0.46 -0.36 120.40 126.13 1pfw s VAL 407 Ca 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 1pfw s VAL 407 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1pfw s VAL 407 CO 0.00 0.32 1.00 -0.76 0.00 0.00 0.00 175.10 175.66 1pfw s LEU 408 N 0.98 3.62 0.83 3.92 1.43 0.01 -4.90 118.68 124.57 1pfw s LEU 408 Ca 0.14 1.63 -0.14 0.00 -1.03 0.00 0.00 54.13 54.73 1pfw s LEU 408 Cb -0.14 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.60 1pfw s LEU 408 CO 0.05 -0.69 0.73 0.00 0.23 0.00 0.00 176.35 176.67 1pfw n ALA 409 N -1.61 -1.36 0.58 4.21 0.00 -1.26 -2.57 120.51 118.50 1pfw n ALA 409 Ca 0.07 -0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.24 1pfw n ALA 409 Cb 0.54 -1.97 0.42 0.00 0.00 0.00 0.00 19.45 18.43 1pfw n ALA 409 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pfw n SER 410 N -1.72 0.80 -4.00 0.00 3.41 -1.26 -1.35 113.62 109.50 1pfw n SER 410 Ca 0.10 0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 59.23 1pfw n SER 410 Cb 0.51 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 1pfw n SER 410 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pfw s GLU 411 N -3.15 0.60 0.12 4.33 8.01 -1.26 -4.61 118.70 122.75 1pfw s GLU 411 Ca 0.09 -0.98 -0.30 0.00 0.01 0.00 0.00 54.97 53.79 1pfw s GLU 411 Cb 0.12 0.22 -0.07 0.00 -4.31 0.00 0.00 34.13 30.09 1pfw s GLU 411 CO 0.56 -0.13 1.22 -0.51 0.01 0.00 0.00 175.26 176.41 1pfw s LEU 412 N -2.52 4.41 0.25 1.80 1.43 -1.26 -4.93 118.68 117.85 1pfw s LEU 412 Ca 0.01 2.15 -0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1pfw s LEU 412 Cb 0.03 -3.59 0.30 0.00 0.03 0.00 0.00 46.19 42.96 1pfw s LEU 412 CO -0.08 -0.45 1.67 0.00 0.23 0.00 0.00 176.35 177.72 1pfw h ALA 413 N 6.11 0.98 -2.54 4.21 0.00 -1.97 -3.37 119.26 122.69 1pfw h ALA 413 Ca -0.43 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 53.51 1pfw h ALA 413 Cb 1.21 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.48 1pfw h ALA 413 CO 0.79 0.60 -0.88 0.34 0.00 0.00 0.00 179.25 180.10 1pfw s ASP 414 N -6.80 2.26 0.38 0.00 3.68 -1.26 -4.98 116.67 109.95 1pfw s ASP 414 Ca -0.08 -3.25 0.10 0.00 2.13 0.00 0.00 52.55 51.45 1pfw s ASP 414 Cb 0.13 -0.73 0.86 0.00 -1.45 0.00 0.00 42.92 41.74 1pfw s ASP 414 CO 0.81 -0.15 1.92 -0.65 0.13 0.00 0.00 175.17 177.24 1pfw h PRO 415 N 5.59 0.61 -0.39 4.34 0.11 -2.00 -1.96 132.00 138.30 1pfw h PRO 415 Ca 0.24 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1pfw h PRO 415 Cb 0.87 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1pfw h PRO 415 CO 0.45 0.40 0.12 0.37 -0.21 0.00 0.00 178.00 179.14 1pfw h GLN 416 N 0.63 0.60 -0.53 1.05 4.15 -1.96 -1.09 115.11 117.96 1pfw h GLN 416 Ca 0.36 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 1pfw h GLN 416 Cb 0.56 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1pfw h GLN 416 CO -0.14 0.60 -0.01 1.25 -1.93 0.00 0.00 178.83 178.61 1pfw h LEU 417 N 0.48 0.87 -0.95 -2.39 5.85 -1.84 -2.40 115.31 114.93 1pfw h LEU 417 Ca 0.13 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1pfw h LEU 417 Cb 0.25 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1pfw h LEU 417 CO -0.00 0.94 0.24 0.22 -0.34 0.00 0.00 178.44 179.50 1pfw h TYR 418 N 0.83 1.02 -0.25 1.25 3.20 -1.02 -2.02 116.97 119.98 1pfw h TYR 418 Ca 0.15 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1pfw h TYR 418 Cb 0.50 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1pfw h TYR 418 CO 0.03 0.80 -0.17 -0.22 -1.64 0.00 0.00 178.16 176.96 1pfw h LYS 419 N 0.98 0.43 -0.85 1.82 3.64 -0.86 -1.39 116.57 120.34 1pfw h LYS 419 Ca 0.22 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1pfw h LYS 419 Cb 0.22 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1pfw h LYS 419 CO -0.02 0.59 0.53 1.15 -2.27 0.00 0.00 179.45 179.44 1pfw h THR 420 N 0.39 1.23 -0.16 1.00 2.02 -0.89 0.20 112.91 116.71 1pfw h THR 420 Ca 0.07 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1pfw h THR 420 Cb 0.52 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1pfw h THR 420 CO 0.03 0.23 -0.17 -0.26 0.37 0.00 0.00 175.52 175.73 1pfw h PHE 421 N 1.17 0.47 -0.05 3.16 -1.00 -0.95 -3.14 116.94 116.60 1pfw h PHE 421 Ca 0.31 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.82 1pfw h PHE 421 Cb -0.08 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 1pfw h PHE 421 CO 0.00 0.78 -0.55 1.79 -1.61 0.00 0.00 178.31 178.73 1pfw h THR 422 N 0.02 1.38 0.00 -1.55 1.35 -1.05 -2.81 112.91 110.25 1pfw h THR 422 Ca 0.02 -1.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.00 1pfw h THR 422 Cb 0.71 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1pfw h THR 422 CO 0.04 0.55 -0.03 0.44 -0.25 0.00 0.00 175.52 176.26 1pfw h ASP 423 N 0.10 0.00 0.84 5.36 3.45 -0.62 -1.84 116.42 123.71 1pfw h ASP 423 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1pfw h ASP 423 Cb 1.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.78 1pfw h ASP 423 CO 0.08 0.03 -0.00 0.00 -1.57 0.00 0.00 179.24 177.78 1pfw n ALA 424 N -2.22 2.40 -0.36 3.45 0.00 -1.06 -3.93 120.51 118.78 1pfw n ALA 424 Ca -0.02 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.33 1pfw n ALA 424 Cb 0.14 -1.47 0.19 0.00 0.00 0.00 0.00 19.45 18.31 1pfw n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pfw h ALA 425 N 3.16 1.43 0.09 0.00 0.00 -1.46 -1.70 119.26 120.78 1pfw h ALA 425 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pfw h ALA 425 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pfw h ALA 425 CO 0.00 0.41 -0.04 1.49 0.00 0.00 0.00 179.25 181.11 1pfw h GLU 426 N 1.14 -0.11 -0.50 0.00 4.81 -1.80 0.96 114.58 119.06 1pfw h GLU 426 Ca 0.43 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.60 1pfw h GLU 426 Cb 0.21 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1pfw h GLU 426 CO -0.18 -0.03 0.03 -0.24 -0.73 0.00 0.00 179.01 177.86 1pfw h VAL 427 N -0.17 1.26 -0.40 0.32 3.04 -1.78 -1.37 116.25 117.15 1pfw h VAL 427 Ca -0.01 -1.04 -0.05 0.00 -1.01 0.00 0.00 66.70 64.59 1pfw h VAL 427 Cb 0.14 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1pfw h VAL 427 CO 0.02 0.37 0.05 0.40 -1.01 0.00 0.00 177.57 177.40 1pfw h ILE 428 N 0.74 1.25 -0.78 3.17 2.04 -1.24 -0.71 117.51 121.99 1pfw h ILE 428 Ca 0.15 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1pfw h ILE 428 Cb 0.48 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1pfw h ILE 428 CO 0.02 0.31 0.31 1.23 0.00 0.00 0.00 178.15 180.02 1pfw h GLY 429 N 0.52 1.24 1.91 5.37 0.00 -0.74 -0.72 103.07 110.65 1pfw h GLY 429 Ca 0.12 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1pfw h GLY 429 CO 0.01 0.63 -0.28 -2.09 0.00 0.00 0.00 176.54 174.81 1pfw h GLU 430 N 1.13 0.11 -0.28 4.80 4.57 -1.02 0.10 114.58 123.99 1pfw h GLU 430 Ca 0.26 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1pfw h GLU 430 Cb 0.21 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1pfw h GLU 430 CO -0.02 0.39 -0.26 0.00 -1.18 0.00 0.00 179.01 177.94 1pfw h ALA 431 N 1.61 0.41 -0.29 2.92 0.00 -0.22 0.24 119.26 123.93 1pfw h ALA 431 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1pfw h ALA 431 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1pfw h ALA 431 CO 0.04 0.41 0.09 -1.49 0.00 0.00 0.00 179.25 178.30 1pfw h TRP 432 N 0.41 0.46 -0.38 0.00 -0.00 -0.71 0.39 115.95 116.11 1pfw h TRP 432 Ca 0.05 -0.04 0.05 0.00 -0.00 0.00 0.00 58.89 58.94 1pfw h TRP 432 Cb 0.83 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 29.81 1pfw h TRP 432 CO 0.07 0.48 0.13 1.49 -0.00 0.00 0.00 178.44 180.61 1pfw h GLU 433 N 0.30 0.28 -0.00 0.49 4.57 -0.69 -1.99 114.58 117.54 1pfw h GLU 433 Ca 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1pfw h GLU 433 Cb 0.23 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1pfw h GLU 433 CO -0.00 0.18 0.00 -1.13 -1.18 0.00 0.00 179.01 176.88 1pfw n SER 434 N -5.02 0.03 -0.61 1.04 3.41 0.06 -4.88 113.62 107.65 1pfw n SER 434 Ca 0.02 -1.26 -0.08 0.00 -0.26 0.00 0.00 58.87 57.29 1pfw n SER 434 Cb 0.14 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1pfw n SER 434 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pfw n ARG 435 N -0.85 -0.79 -2.14 4.33 1.74 -0.75 -4.62 116.66 113.59 1pfw n ARG 435 Ca 0.18 0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 57.56 1pfw n ARG 435 Cb 0.09 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.92 1pfw n ARG 435 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pfw n GLU 436 N -2.30 3.77 -0.26 5.56 -0.58 0.08 -2.94 120.64 123.97 1pfw n GLU 436 Ca -0.08 -3.34 -0.04 0.00 -0.42 0.00 0.00 57.16 53.28 1pfw n GLU 436 Cb 0.32 -2.89 0.07 0.00 -0.57 0.00 0.00 31.44 28.38 1pfw n GLU 436 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1pfw h PHE 437 N 5.46 0.86 -0.78 -0.32 0.05 -1.71 -2.26 116.94 118.25 1pfw h PHE 437 Ca 0.51 0.02 0.03 0.00 3.82 0.00 0.00 57.97 62.35 1pfw h PHE 437 Cb 0.53 -0.29 -0.04 0.00 2.00 0.00 0.00 35.95 38.16 1pfw h PHE 437 CO 1.39 0.51 0.51 0.78 -0.18 0.00 0.00 178.31 181.32 1pfw h GLY 438 N 0.91 1.10 0.97 -1.45 0.00 -0.01 -0.97 103.07 103.60 1pfw h GLY 438 Ca 0.28 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1pfw h GLY 438 CO -0.09 0.35 -0.09 1.70 0.00 0.00 0.00 176.54 178.40 1pfw h LYS 439 N 0.99 0.74 -0.47 4.80 3.64 -1.68 -1.58 116.57 123.01 1pfw h LYS 439 Ca 0.30 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1pfw h LYS 439 Cb -0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1pfw h LYS 439 CO -0.08 0.89 0.28 0.00 -2.27 0.00 0.00 179.45 178.26 1pfw h ALA 440 N 0.84 0.60 -0.67 5.00 0.00 -0.85 -1.31 119.26 122.86 1pfw h ALA 440 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1pfw h ALA 440 Cb 0.61 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1pfw h ALA 440 CO 0.04 0.09 0.25 0.28 0.00 0.00 0.00 179.25 179.90 1pfw h VAL 441 N 0.62 1.25 -0.72 0.00 2.07 -1.11 -0.25 116.25 118.11 1pfw h VAL 441 Ca 0.17 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1pfw h VAL 441 Cb -0.00 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1pfw h VAL 441 CO -0.03 0.31 0.38 0.03 0.02 0.00 0.00 177.57 178.29 1pfw h ARG 442 N 0.96 1.01 -0.51 1.57 3.08 -0.97 0.86 114.38 120.39 1pfw h ARG 442 Ca 0.22 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1pfw h ARG 442 Cb 0.24 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1pfw h ARG 442 CO -0.01 0.76 -0.01 1.49 -1.07 0.00 0.00 179.97 181.13 1pfw h GLU 443 N 0.99 0.91 -0.40 0.04 4.57 -0.95 -0.72 114.58 119.02 1pfw h GLU 443 Ca 0.25 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1pfw h GLU 443 Cb 0.06 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1pfw h GLU 443 CO -0.04 0.94 0.08 0.82 -1.18 0.00 0.00 179.01 179.63 1pfw h ILE 444 N 0.78 1.24 0.00 2.32 2.04 -0.64 -2.14 117.51 121.10 1pfw h ILE 444 Ca 0.14 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.10 1pfw h ILE 444 Cb 0.53 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1pfw h ILE 444 CO 0.03 0.29 -0.37 0.24 0.00 0.00 0.00 178.15 178.34 1pfw h MET 445 N 0.51 0.00 -0.50 2.37 2.86 -0.76 -0.43 114.93 118.99 1pfw h MET 445 Ca 0.12 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1pfw h MET 445 Cb 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1pfw h MET 445 CO 0.00 0.37 -0.09 0.00 1.06 0.00 0.00 176.91 178.25 1pfw h ALA 446 N 1.63 0.89 -0.38 6.32 0.00 -0.84 -0.33 119.26 126.56 1pfw h ALA 446 Ca -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1pfw h ALA 446 Cb 0.76 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pfw h ALA 446 CO 0.05 0.64 -0.36 -0.07 0.00 0.00 0.00 179.25 179.51 1pfw h LEU 447 N 0.82 0.94 -1.10 0.00 3.38 -0.83 -2.37 115.31 116.15 1pfw h LEU 447 Ca 0.14 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1pfw h LEU 447 Cb 0.62 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1pfw h LEU 447 CO 0.04 1.19 0.61 0.00 0.09 0.00 0.00 178.44 180.37 1pfw h ALA 448 N 0.85 1.36 -0.53 1.53 0.00 -0.61 0.95 119.26 122.82 1pfw h ALA 448 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1pfw h ALA 448 Cb 0.93 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pfw h ALA 448 CO 0.09 0.58 0.14 -0.44 0.00 0.00 0.00 179.25 179.62 1pfw h ASP 449 N 1.23 0.79 -0.80 0.00 3.32 -0.82 -1.33 116.42 118.80 1pfw h ASP 449 Ca 0.35 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1pfw h ASP 449 Cb -0.10 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 1pfw h ASP 449 CO -0.09 0.80 0.40 0.25 -1.72 0.00 0.00 179.24 178.89 1pfw h LEU 450 N 0.73 1.03 -0.48 1.55 5.85 -0.81 -0.43 115.31 122.74 1pfw h LEU 450 Ca 0.17 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1pfw h LEU 450 Cb 0.32 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1pfw h LEU 450 CO -0.00 0.86 0.20 0.00 -0.34 0.00 0.00 178.44 179.16 1pfw h ALA 451 N 1.21 0.63 0.00 1.25 0.00 -0.51 -1.20 119.26 120.63 1pfw h ALA 451 Ca 0.28 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1pfw h ALA 451 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pfw h ALA 451 CO -0.04 0.22 -0.46 -0.91 0.00 0.00 0.00 179.25 178.06 1pfw h ASN 452 N 0.64 0.00 -0.39 0.00 2.35 -0.97 -2.17 115.58 115.04 1pfw h ASN 452 Ca 0.16 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1pfw h ASN 452 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1pfw h ASN 452 CO -0.02 0.46 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.06 1pfw h ARG 453 N 0.00 0.74 -0.10 0.81 2.43 -0.73 -0.28 114.38 117.25 1pfw h ARG 453 Ca -0.00 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1pfw h ARG 453 Cb 0.92 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1pfw h ARG 453 CO 0.06 0.87 -0.08 -0.92 -1.51 0.00 0.00 179.97 178.39 1pfw h TYR 454 N 0.55 -0.19 -0.71 2.20 3.20 -0.88 0.12 116.97 121.26 1pfw h TYR 454 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1pfw h TYR 454 Cb 0.59 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1pfw h TYR 454 CO 0.05 -0.12 0.37 0.28 -1.64 0.00 0.00 178.16 177.09 1pfw h VAL 455 N -0.09 1.23 -0.82 1.81 2.07 -1.25 -1.47 116.25 117.72 1pfw h VAL 455 Ca 0.07 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1pfw h VAL 455 Cb 0.19 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1pfw h VAL 455 CO -0.16 0.26 0.49 0.44 0.02 0.00 0.00 177.57 178.62 1pfw h ASP 456 N 0.98 0.99 -0.17 0.57 3.32 -0.54 -0.59 116.42 120.99 1pfw h ASP 456 Ca 0.25 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1pfw h ASP 456 Cb 0.08 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1pfw h ASP 456 CO -0.04 0.76 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.87 1pfw h GLU 457 N 1.13 0.47 0.00 3.56 5.08 -0.27 -2.52 114.58 122.01 1pfw h GLU 457 Ca 0.29 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1pfw h GLU 457 Cb -0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1pfw h GLU 457 CO -0.05 0.53 -0.30 1.96 -1.00 0.00 0.00 179.01 180.14 1pfw h GLN 458 N 0.44 0.00 -6.48 2.33 1.08 -0.73 -3.49 115.11 108.27 1pfw h GLN 458 Ca 0.09 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.85 1pfw h GLN 458 Cb 0.37 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1pfw h GLN 458 CO 0.02 0.00 -0.90 0.00 -0.95 0.00 0.00 178.83 177.00 1pfw n ALA 459 N -1.99 -2.66 0.15 3.87 0.00 -0.28 -4.69 120.51 114.92 1pfw n ALA 459 Ca 0.03 -0.31 0.14 0.00 0.00 0.00 0.00 53.44 53.30 1pfw n ALA 459 Cb 0.49 -2.22 0.68 0.00 0.00 0.00 0.00 19.45 18.40 1pfw n ALA 459 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pfw h PRO 460 N -1.21 0.00 0.00 0.00 0.13 -1.89 0.15 132.00 129.19 1pfw h PRO 460 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1pfw h PRO 460 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1pfw h PRO 460 CO 0.43 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.31 1pfw h TRP 461 N 0.00 0.00 0.02 1.56 0.09 -1.94 -0.38 115.95 115.30 1pfw h TRP 461 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 58.89 58.75 1pfw h TRP 461 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 29.63 1pfw h TRP 461 CO 0.00 0.00 -1.84 0.28 0.09 0.00 0.00 178.44 176.97 1pfw n VAL 462 N -2.68 1.56 -0.19 0.12 0.31 -0.04 -4.34 118.33 113.08 1pfw n VAL 462 Ca 0.01 -0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.12 1pfw n VAL 462 Cb 0.22 -1.91 0.33 0.00 -0.91 0.00 0.00 33.84 31.58 1pfw n VAL 462 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1pfw h VAL 463 N -0.78 1.06 0.00 2.52 2.07 -1.17 -2.51 116.25 117.44 1pfw h VAL 463 Ca -0.48 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1pfw h VAL 463 Cb 1.54 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1pfw h VAL 463 CO -0.23 0.15 -0.05 0.00 0.02 0.00 0.00 177.57 177.46 1pfw h ALA 464 N 1.59 1.66 -0.16 1.67 0.00 -1.26 -2.34 119.26 120.42 1pfw h ALA 464 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pfw h ALA 464 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pfw h ALA 464 CO -0.10 0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.58 1pfw n LYS 465 N -4.11 2.28 -3.67 0.00 2.85 -0.95 -4.90 118.16 109.66 1pfw n LYS 465 Ca -0.03 -1.89 -0.37 0.00 -1.05 0.00 0.00 58.31 54.97 1pfw n LYS 465 Cb 0.14 -1.48 -0.11 0.00 -0.65 0.00 0.00 35.03 32.93 1pfw n LYS 465 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1pfw s GLN 466 N -1.82 3.89 0.14 -1.58 -0.21 -0.88 -5.05 119.66 114.14 1pfw s GLN 466 Ca 0.33 -0.36 -0.34 0.00 0.02 0.00 0.00 55.36 55.01 1pfw s GLN 466 Cb 0.21 -3.52 -0.16 0.00 1.00 0.00 0.00 33.01 30.53 1pfw s GLN 466 CO 0.31 -0.12 1.15 -0.85 -2.12 0.00 0.00 175.29 173.66 1pfw n GLU 467 N 4.81 0.97 -0.98 2.91 -0.00 -1.26 -2.33 120.64 124.75 1pfw n GLU 467 Ca -0.15 0.35 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1pfw n GLU 467 Cb 0.52 -1.84 0.00 0.00 -0.00 0.00 0.00 31.44 30.11 1pfw n GLU 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pfw n GLY 468 N 2.06 0.37 1.84 -1.84 0.00 -1.26 -4.90 105.19 101.46 1pfw n GLY 468 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1pfw n GLY 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfw n ARG 469 N -1.72 4.67 -0.10 1.61 5.12 -0.98 -4.61 116.66 120.65 1pfw n ARG 469 Ca 0.00 -3.00 -0.06 0.00 -1.93 0.00 0.00 57.85 52.86 1pfw n ARG 469 Cb 0.15 -2.23 0.02 0.00 -1.16 0.00 0.00 32.46 29.23 1pfw n ARG 469 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1pfw h ASP 470 N 3.74 -0.12 -0.53 0.55 3.45 -1.88 -0.95 116.42 120.69 1pfw h ASP 470 Ca 0.01 0.08 0.05 0.00 0.43 0.00 0.00 57.03 57.60 1pfw h ASP 470 Cb 1.94 0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 40.79 1pfw h ASP 470 CO 0.49 -0.02 0.25 0.00 -1.57 0.00 0.00 179.24 178.38 1pfw h ALA 471 N 1.30 0.68 -0.71 3.45 0.00 -2.00 -1.21 119.26 120.77 1pfw h ALA 471 Ca 0.17 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1pfw h ALA 471 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1pfw h ALA 471 CO -0.28 -0.11 0.24 -0.44 0.00 0.00 0.00 179.25 178.66 1pfw h ASP 472 N 0.48 1.02 -0.13 0.00 3.32 -1.78 -1.63 116.42 117.70 1pfw h ASP 472 Ca 0.24 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1pfw h ASP 472 Cb 0.18 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1pfw h ASP 472 CO -0.19 0.95 0.07 0.25 -1.72 0.00 0.00 179.24 178.60 1pfw h LEU 473 N 1.04 0.16 -1.11 1.55 5.85 -0.52 -0.35 115.31 121.93 1pfw h LEU 473 Ca 0.23 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1pfw h LEU 473 Cb 0.28 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1pfw h LEU 473 CO -0.01 0.19 0.51 -0.61 -0.34 0.00 0.00 178.44 178.18 1pfw h GLN 474 N 0.12 1.12 -0.14 1.25 4.15 -1.11 -1.33 115.11 119.17 1pfw h GLN 474 Ca 0.05 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1pfw h GLN 474 Cb 0.06 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1pfw h GLN 474 CO -0.01 0.77 0.05 0.00 -1.93 0.00 0.00 178.83 177.71 1pfw h ALA 475 N 1.42 0.18 0.09 3.38 0.00 -0.89 -0.87 119.26 122.57 1pfw h ALA 475 Ca 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pfw h ALA 475 Cb -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pfw h ALA 475 CO -0.06 -0.22 -0.04 0.82 0.00 0.00 0.00 179.25 179.75 1pfw h ILE 476 N 0.05 0.93 -0.41 0.00 2.04 -0.77 -1.59 117.51 117.75 1pfw h ILE 476 Ca 0.04 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1pfw h ILE 476 Cb 0.20 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1pfw h ILE 476 CO -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 178.15 178.08 1pfw h SER 478 N 0.66 0.73 -0.39 0.00 0.02 -1.07 -1.71 113.55 111.78 1pfw h SER 478 Ca 0.12 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1pfw h SER 478 Cb 0.53 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1pfw h SER 478 CO 0.03 0.93 0.17 -0.03 -1.14 0.00 0.00 176.83 176.79 1pfw h MET 479 N 0.63 0.58 -0.90 3.45 -1.53 -0.93 -1.13 114.93 115.09 1pfw h MET 479 Ca 0.09 -0.10 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1pfw h MET 479 Cb 0.72 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.63 1pfw h MET 479 CO 0.06 0.53 0.51 0.78 0.14 0.00 0.00 176.91 178.93 1pfw h GLY 480 N 0.49 1.34 1.47 1.39 0.00 -1.11 -1.61 103.07 105.02 1pfw h GLY 480 Ca 0.13 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1pfw h GLY 480 CO -0.01 0.57 -0.20 -2.22 0.00 0.00 0.00 176.54 174.68 1pfw h ILE 481 N 1.26 1.26 -0.13 2.60 2.04 -1.01 -1.55 117.51 121.98 1pfw h ILE 481 Ca 0.32 -1.24 -0.13 0.00 1.00 0.00 0.00 64.86 64.81 1pfw h ILE 481 Cb 0.00 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1pfw h ILE 481 CO -0.05 0.41 -0.51 0.78 0.00 0.00 0.00 178.15 178.77 1pfw h ASN 482 N 0.56 0.38 -0.28 1.72 2.35 -0.81 -0.29 115.58 119.20 1pfw h ASN 482 Ca 0.09 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1pfw h ASN 482 Cb 0.65 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1pfw h ASN 482 CO 0.05 0.82 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.37 1pfw h LEU 483 N 0.27 0.76 -0.67 1.61 3.38 -1.02 -2.36 115.31 117.28 1pfw h LEU 483 Ca 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1pfw h LEU 483 Cb 0.99 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1pfw h LEU 483 CO 0.08 0.95 0.38 0.15 0.09 0.00 0.00 178.44 180.09 1pfw h PHE 484 N 0.66 0.91 -0.36 1.13 3.57 -0.86 -1.48 116.94 120.51 1pfw h PHE 484 Ca 0.10 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1pfw h PHE 484 Cb 0.70 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1pfw h PHE 484 CO 0.04 0.64 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.65 1pfw h ARG 485 N 0.92 0.08 -0.23 1.11 1.12 -0.57 -0.14 114.38 116.67 1pfw h ARG 485 Ca 0.24 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.09 1pfw h ARG 485 Cb 0.03 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 1pfw h ARG 485 CO -0.04 0.05 0.08 0.28 -3.11 0.00 0.00 179.97 177.23 1pfw h VAL 486 N 0.08 1.19 -0.72 0.20 2.07 -1.08 -2.36 116.25 115.63 1pfw h VAL 486 Ca 0.18 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1pfw h VAL 486 Cb 0.25 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1pfw h VAL 486 CO -0.31 0.19 0.46 -0.07 0.02 0.00 0.00 177.57 177.86 1pfw h LEU 487 N 0.21 0.79 -1.59 2.57 3.38 -0.87 -1.50 115.31 118.30 1pfw h LEU 487 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1pfw h LEU 487 Cb 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pfw h LEU 487 CO -0.00 0.56 -0.12 0.24 0.09 0.00 0.00 178.44 179.20 1pfw h MET 488 N 0.93 0.00 -0.14 1.13 2.86 -0.95 -1.54 114.93 117.22 1pfw h MET 488 Ca 0.27 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1pfw h MET 488 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1pfw h MET 488 CO -0.08 0.12 -0.46 1.15 1.06 0.00 0.00 176.91 178.70 1pfw h THR 489 N 0.00 1.35 0.00 2.22 2.02 -0.74 -0.60 112.91 117.15 1pfw h THR 489 Ca -0.00 -1.74 -0.07 0.00 0.77 0.00 0.00 66.41 65.36 1pfw h THR 489 Cb 0.51 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1pfw h THR 489 CO 0.02 0.53 -0.34 1.88 0.37 0.00 0.00 175.52 177.97 1pfw h TYR 490 N 0.20 0.00 -0.02 3.16 0.05 -0.97 -2.72 116.97 116.67 1pfw h TYR 490 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1pfw h TYR 490 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1pfw h TYR 490 CO 0.10 0.34 -0.14 1.28 -1.05 0.00 0.00 178.16 178.69 1pfw n LEU 491 N -4.06 1.68 -0.33 3.88 4.77 -0.62 -4.45 117.00 117.87 1pfw n LEU 491 Ca -0.02 -0.55 0.07 0.00 -0.03 0.00 0.00 56.01 55.48 1pfw n LEU 491 Cb 0.39 -0.04 0.23 0.00 -2.33 0.00 0.00 43.42 41.67 1pfw n LEU 491 CO 0.38 0.29 1.19 0.50 -1.33 0.00 0.00 177.39 178.42 1pfw h LYS 492 N 2.41 0.84 0.00 3.23 3.64 -0.77 0.26 116.57 126.19 1pfw h LYS 492 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1pfw h LYS 492 Cb 0.62 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1pfw h LYS 492 CO 0.00 0.56 -0.04 -1.35 -2.27 0.00 0.00 179.45 176.35 1pfw h PRO 493 N 0.86 0.00 0.12 1.90 0.11 -1.80 -3.27 132.00 129.92 1pfw h PRO 493 Ca 0.48 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.24 1pfw h PRO 493 Cb 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1pfw h PRO 493 CO -0.29 0.04 -1.89 0.28 -0.21 0.00 0.00 178.00 175.93 1pfw h VAL 494 N 0.00 0.69 -2.78 3.15 2.07 -1.29 -3.39 116.25 114.70 1pfw h VAL 494 Ca -0.00 -2.34 -0.61 0.00 0.82 0.00 0.00 66.70 64.56 1pfw h VAL 494 Cb 0.43 2.51 -0.42 0.00 -1.52 0.00 0.00 31.29 32.29 1pfw h VAL 494 CO 0.00 0.84 -0.62 0.18 0.02 0.00 0.00 177.57 177.99 1pfw n LEU 495 N -3.60 2.89 -0.20 2.57 4.77 -0.58 -4.53 117.00 118.32 1pfw n LEU 495 Ca -0.31 -5.20 -0.01 0.00 -0.03 0.00 0.00 56.01 50.46 1pfw n LEU 495 Cb 1.01 -0.60 0.10 0.00 -2.33 0.00 0.00 43.42 41.60 1pfw n LEU 495 CO 0.41 1.85 1.00 -0.65 -1.33 0.00 0.00 177.39 178.68 1pfw h PRO 496 N 5.06 0.44 -0.03 3.23 0.11 -1.85 -0.85 132.00 138.12 1pfw h PRO 496 Ca 0.17 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1pfw h PRO 496 Cb 0.74 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1pfw h PRO 496 CO 0.72 0.29 -0.04 0.87 -0.21 0.00 0.00 178.00 179.63 1pfw h LYS 497 N 0.45 0.08 -0.51 1.05 1.79 -1.93 -1.92 116.57 115.58 1pfw h LYS 497 Ca 0.30 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.73 1pfw h LYS 497 Cb 0.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1pfw h LYS 497 CO -0.27 0.59 0.34 1.25 -1.08 0.00 0.00 179.45 180.27 1pfw h LEU 498 N -0.43 0.56 -0.65 2.94 5.85 -1.91 -1.66 115.31 120.01 1pfw h LEU 498 Ca 0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1pfw h LEU 498 Cb 0.58 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1pfw h LEU 498 CO 0.01 0.40 0.26 0.74 -0.34 0.00 0.00 178.44 179.51 1pfw h THR 499 N 0.66 1.24 -0.77 1.05 2.02 -1.03 0.11 112.91 116.18 1pfw h THR 499 Ca 0.19 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1pfw h THR 499 Cb -0.03 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1pfw h THR 499 CO -0.04 0.29 0.34 -0.33 0.37 0.00 0.00 175.52 176.15 1pfw h GLU 500 N 0.92 1.13 -0.50 6.66 5.08 -0.50 0.15 114.58 127.52 1pfw h GLU 500 Ca 0.22 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1pfw h GLU 500 Cb 0.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1pfw h GLU 500 CO -0.02 0.89 -0.10 0.00 -1.00 0.00 0.00 179.01 178.79 1pfw h ARG 501 N 1.10 0.91 -0.60 2.33 3.08 -0.96 -1.59 114.38 118.65 1pfw h ARG 501 Ca 0.26 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1pfw h ARG 501 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1pfw h ARG 501 CO -0.03 0.97 -0.01 0.00 -1.07 0.00 0.00 179.97 179.82 1pfw h ALA 502 N 1.06 0.84 -0.16 0.04 0.00 -0.22 -1.83 119.26 118.99 1pfw h ALA 502 Ca 0.13 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1pfw h ALA 502 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pfw h ALA 502 CO 0.04 0.67 -0.29 0.93 0.00 0.00 0.00 179.25 180.60 1pfw h GLU 503 N 0.97 0.31 -0.36 0.00 5.08 -0.47 0.57 114.58 120.68 1pfw h GLU 503 Ca 0.17 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1pfw h GLU 503 Cb 0.57 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1pfw h GLU 503 CO 0.03 0.58 -0.27 0.00 -1.00 0.00 0.00 179.01 178.35 1pfw h ALA 504 N 1.43 0.52 -0.17 3.43 0.00 -1.04 0.10 119.26 123.52 1pfw h ALA 504 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1pfw h ALA 504 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1pfw h ALA 504 CO 0.05 0.52 0.03 0.35 0.00 0.00 0.00 179.25 180.21 1pfw h PHE 505 N 0.61 0.30 0.00 0.00 3.57 -1.04 -3.05 116.94 117.33 1pfw h PHE 505 Ca 0.07 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pfw h PHE 505 Cb 0.84 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1pfw h PHE 505 CO 0.06 0.43 0.00 -0.07 -2.23 0.00 0.00 178.31 176.51 1pfw h LEU 506 N 0.08 0.00 -1.05 0.59 3.38 -0.85 0.12 115.31 117.59 1pfw h LEU 506 Ca 0.05 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.70 1pfw h LEU 506 Cb 0.29 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.16 1pfw h LEU 506 CO 0.00 0.00 -0.59 0.59 0.09 0.00 0.00 178.44 178.53 1pfw n ASN 507 N -2.37 -4.97 -3.61 -0.43 5.03 0.31 -4.74 115.26 104.49 1pfw n ASN 507 Ca 0.04 -0.47 -0.11 0.00 0.87 0.00 0.00 54.58 54.90 1pfw n ASN 507 Cb 0.34 -4.37 -0.06 0.00 -1.02 0.00 0.00 39.78 34.67 1pfw n ASN 507 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1pfw s THR 508 N -3.28 0.00 0.28 3.41 -1.32 -0.86 -5.06 115.64 108.81 1pfw s THR 508 Ca 0.40 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.59 1pfw s THR 508 Cb -0.17 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.72 1pfw s THR 508 CO 0.62 0.00 0.99 -0.70 -2.21 0.00 0.00 174.62 173.32 1pfw s GLU 509 N -0.35 4.70 -0.28 7.08 2.12 -1.26 -4.49 118.70 126.22 1pfw s GLU 509 Ca -0.00 1.55 -0.17 0.00 0.36 0.00 0.00 54.97 56.71 1pfw s GLU 509 Cb -0.03 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 1pfw s GLU 509 CO -0.01 0.35 0.49 -0.51 -0.54 0.00 0.00 175.26 175.04 1pfw s LEU 510 N -1.50 4.12 0.20 2.70 1.43 -1.26 -5.05 118.68 119.32 1pfw s LEU 510 Ca 0.45 0.35 0.10 0.00 -1.03 0.00 0.00 54.13 54.00 1pfw s LEU 510 Cb -0.26 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1pfw s LEU 510 CO 0.33 -0.32 -0.16 0.42 0.23 0.00 0.00 176.35 176.85 1pfw s THR 511 N 2.30 2.80 0.15 5.49 -4.23 -1.26 -5.03 115.64 115.87 1pfw s THR 511 Ca 0.20 -1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 58.65 1pfw s THR 511 Cb -0.16 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.31 1pfw s THR 511 CO 0.10 -0.16 1.80 -0.25 -0.54 0.00 0.00 174.62 175.57 1pfw h TRP 512 N 2.89 0.43 0.00 3.99 2.91 -1.93 -2.70 115.95 121.55 1pfw h TRP 512 Ca -0.46 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.54 1pfw h TRP 512 Cb 1.21 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.72 1pfw h TRP 512 CO 0.68 0.25 -0.16 -0.44 -1.03 0.00 0.00 178.44 177.75 1pfw h ASP 513 N 0.46 0.00 -0.11 2.65 3.32 -1.97 -3.30 116.42 117.47 1pfw h ASP 513 Ca 0.15 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1pfw h ASP 513 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pfw h ASP 513 CO -0.07 0.16 0.12 1.23 -1.72 0.00 0.00 179.24 178.96 1pfw h GLY 514 N 3.38 0.00 2.00 2.75 0.00 -1.88 -2.34 103.07 106.98 1pfw h GLY 514 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pfw h GLY 514 CO 0.02 0.00 0.00 0.16 0.00 0.00 0.00 176.54 176.72 1pfw h ILE 515 N 0.00 0.00 0.00 2.60 3.07 -1.66 -1.20 117.51 120.32 1pfw h ILE 515 Ca 0.05 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.39 1pfw h ILE 515 Cb 0.29 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 1pfw h ILE 515 CO -0.00 0.00 0.00 1.56 -1.05 0.00 0.00 178.15 178.66 1pfw h GLN 516 N 0.00 0.00 -3.89 0.16 1.08 -1.70 -3.36 115.11 107.40 1pfw h GLN 516 Ca 0.00 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 1pfw h GLN 516 Cb 0.08 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 27.11 1pfw h GLN 516 CO 0.00 0.00 -0.61 -0.65 -0.95 0.00 0.00 178.83 176.62 1pfw s GLN 517 N -3.47 1.93 0.92 1.46 1.11 -0.45 -5.11 119.66 116.05 1pfw s GLN 517 Ca 0.03 -2.33 -0.10 0.00 0.01 0.00 0.00 55.36 52.97 1pfw s GLN 517 Cb 0.09 -3.37 0.15 0.00 -1.01 0.00 0.00 33.01 28.86 1pfw s GLN 517 CO 0.44 -1.07 1.14 -1.25 0.01 0.00 0.00 175.29 174.56 1pfw s PRO 518 N 0.21 1.00 -0.40 2.91 0.04 -1.26 -4.91 135.00 132.59 1pfw s PRO 518 Ca 0.14 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 1pfw s PRO 518 Cb -0.23 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1pfw s PRO 518 CO -0.03 -2.63 1.08 -0.51 0.04 0.00 0.00 177.00 174.95 1pfw s LEU 519 N -6.60 3.82 -0.03 -3.56 1.43 -1.26 -5.01 118.68 107.47 1pfw s LEU 519 Ca 0.67 0.72 0.05 0.00 -1.03 0.00 0.00 54.13 54.53 1pfw s LEU 519 Cb -0.23 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1pfw s LEU 519 CO 0.58 -1.04 -0.17 -0.76 0.23 0.00 0.00 176.35 175.19 1pfw s LEU 520 N 3.98 1.98 -1.45 1.79 1.43 -1.26 -4.71 118.68 120.43 1pfw s LEU 520 Ca 0.45 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1pfw s LEU 520 Cb -0.10 -0.92 0.04 0.00 0.03 0.00 0.00 46.19 45.24 1pfw s LEU 520 CO 0.23 0.19 0.67 0.61 0.23 0.00 0.00 176.35 178.28 1pfw n GLY 521 N 2.86 -0.33 3.24 -3.19 0.00 -0.46 -4.92 105.19 102.39 1pfw n GLY 521 Ca -0.16 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1pfw n GLY 521 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pfw s HIS 522 N -3.64 2.26 -0.08 1.61 5.04 -1.25 -4.89 115.29 114.35 1pfw s HIS 522 Ca 0.26 -0.66 -0.25 0.00 -1.54 0.00 0.00 55.06 52.88 1pfw s HIS 522 Cb -0.14 -1.49 -0.03 0.00 0.04 0.00 0.00 32.58 30.96 1pfw s HIS 522 CO 0.86 -0.20 0.77 0.21 -2.34 0.00 0.00 174.74 174.04 1pfw s LYS 523 N -0.14 4.42 0.31 2.88 2.47 -1.26 -0.81 119.74 127.61 1pfw s LYS 523 Ca -0.03 0.98 0.09 0.00 -1.56 0.00 0.00 55.97 55.45 1pfw s LYS 523 Cb -0.13 -3.48 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1pfw s LYS 523 CO 0.03 -0.04 0.07 0.14 0.16 0.00 0.00 175.35 175.70 1pfw s VAL 524 N 1.14 3.14 0.28 4.02 -7.23 0.51 -4.66 120.40 117.60 1pfw s VAL 524 Ca 0.40 -1.82 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 1pfw s VAL 524 Cb -0.18 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 1pfw s VAL 524 CO 0.18 -0.26 0.29 0.20 -0.31 0.00 0.00 175.10 175.20 1pfw s ASN 525 N -3.76 5.65 0.50 4.85 0.01 0.03 -4.73 114.94 117.50 1pfw s ASN 525 Ca 0.35 -0.26 -0.18 0.00 -0.71 0.00 0.00 52.86 52.06 1pfw s ASN 525 Cb -0.04 -1.34 -0.08 0.00 0.41 0.00 0.00 41.25 40.20 1pfw s ASN 525 CO 0.21 -0.18 0.99 -2.84 -1.51 0.00 0.00 177.10 173.76 1pfw s PRO 526 N -3.95 3.94 0.02 -0.60 0.02 -1.26 -4.80 135.00 128.36 1pfw s PRO 526 Ca 0.37 1.05 -0.05 0.00 0.02 0.00 0.00 61.00 62.39 1pfw s PRO 526 Cb -0.08 -2.13 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 1pfw s PRO 526 CO 0.27 -0.28 0.08 -0.59 -0.33 0.00 0.00 177.00 176.15 1pfw s PHE 527 N -2.45 0.15 0.21 6.54 -0.71 -1.26 -4.92 117.98 115.54 1pfw s PHE 527 Ca 0.61 -0.35 -0.03 0.00 -1.04 0.00 0.00 56.93 56.12 1pfw s PHE 527 Cb -0.11 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.54 1pfw s PHE 527 CO 0.26 -0.28 0.43 0.21 -1.34 0.00 0.00 175.22 174.50 1pfw s LYS 528 N -1.75 3.57 0.00 1.99 2.20 -1.26 -4.89 119.74 119.60 1pfw s LYS 528 Ca -0.12 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1pfw s LYS 528 Cb -0.06 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1pfw s LYS 528 CO -0.01 0.37 0.00 0.00 -0.36 0.00 0.00 175.35 175.35 1pfw n ALA 529 N -0.57 0.00 0.15 3.13 0.00 -1.26 -4.81 120.51 117.16 1pfw n ALA 529 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1pfw n ALA 529 Cb 0.53 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.33 1pfw n ALA 529 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pfw h LEU 530 N 0.00 0.13 -6.76 0.00 3.38 -1.97 -3.43 115.31 106.66 1pfw h LEU 530 Ca 0.00 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1pfw h LEU 530 Cb 0.00 -0.03 -0.23 0.00 0.09 0.00 0.00 40.66 40.49 1pfw h LEU 530 CO 0.00 0.43 0.12 -0.47 0.09 0.00 0.00 178.44 178.61 1pfw s TYR 531 N -4.37 -0.90 0.30 1.13 6.14 -1.26 -4.93 117.35 113.47 1pfw s TYR 531 Ca -0.04 1.60 -0.00 0.00 0.64 0.00 0.00 57.07 59.27 1pfw s TYR 531 Cb 0.15 0.54 -0.04 0.00 0.42 0.00 0.00 41.96 43.03 1pfw s TYR 531 CO 0.74 -0.45 0.50 -0.80 0.64 0.00 0.00 175.55 176.18 1pfw s ASN 532 N 2.37 6.34 0.61 4.32 0.01 -1.26 -4.84 114.94 122.49 1pfw s ASN 532 Ca -0.05 0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 52.39 1pfw s ASN 532 Cb -0.07 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 1pfw s ASN 532 CO -0.18 -0.21 1.10 -0.13 -1.51 0.00 0.00 177.10 176.17 1pfw s ARG 533 N -3.96 3.07 0.36 -0.60 0.52 -1.26 -4.97 118.95 112.11 1pfw s ARG 533 Ca 0.40 1.38 0.09 0.00 -0.52 0.00 0.00 55.73 57.07 1pfw s ARG 533 Cb -0.10 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.32 1pfw s ARG 533 CO 0.33 -1.03 0.02 0.96 0.02 0.00 0.00 175.30 175.60 1pfw s ILE 534 N -2.25 2.43 0.17 1.52 -4.36 -1.26 -5.12 121.20 112.33 1pfw s ILE 534 Ca 0.67 -1.97 -0.05 0.00 -0.26 0.00 0.00 60.65 59.04 1pfw s ILE 534 Cb -0.20 -2.83 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 1pfw s ILE 534 CO 0.37 -0.14 0.20 1.51 0.24 0.00 0.00 174.94 177.11 1pfw s ASP 535 N -3.73 0.14 0.61 4.36 3.84 -1.26 -4.94 116.67 115.69 1pfw s ASP 535 Ca 0.35 -1.09 0.33 0.00 -0.00 0.00 0.00 52.55 52.14 1pfw s ASP 535 Cb 0.02 0.39 1.91 0.00 -1.38 0.00 0.00 42.92 43.86 1pfw s ASP 535 CO 0.19 -0.85 2.23 0.24 -0.00 0.00 0.00 175.17 176.98 1pfw h MET 536 N 2.64 0.00 -0.34 2.11 2.86 -1.97 -1.43 114.93 118.80 1pfw h MET 536 Ca -0.33 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1pfw h MET 536 Cb 1.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1pfw h MET 536 CO 0.51 0.00 -0.02 0.00 1.06 0.00 0.00 176.91 178.47 1pfw h ARG 537 N 0.00 0.53 -0.22 1.72 3.08 -1.99 0.38 114.38 117.88 1pfw h ARG 537 Ca 0.02 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 1pfw h ARG 537 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1pfw h ARG 537 CO -0.00 0.57 -0.52 1.96 -1.07 0.00 0.00 179.97 180.91 1pfw h GLN 538 N 0.50 0.64 -0.46 0.04 4.20 -1.68 -1.49 115.11 116.86 1pfw h GLN 538 Ca 0.11 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 1pfw h GLN 538 Cb 0.36 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1pfw h GLN 538 CO 0.01 1.00 0.09 0.28 -0.67 0.00 0.00 178.83 179.54 1pfw h VAL 539 N 0.50 1.24 -0.76 -0.54 2.07 -1.35 -0.98 116.25 116.44 1pfw h VAL 539 Ca 0.02 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1pfw h VAL 539 Cb 1.08 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1pfw h VAL 539 CO 0.10 0.31 0.49 -0.33 0.02 0.00 0.00 177.57 178.17 1pfw h GLU 540 N 0.62 0.95 -0.60 1.57 5.08 -0.77 -1.03 114.58 120.41 1pfw h GLU 540 Ca 0.14 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1pfw h GLU 540 Cb 0.37 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1pfw h GLU 540 CO 0.01 0.63 0.16 0.00 -1.00 0.00 0.00 179.01 178.81 1pfw h ALA 541 N 1.30 0.78 -0.23 3.43 0.00 -0.96 -1.19 119.26 122.39 1pfw h ALA 541 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pfw h ALA 541 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1pfw h ALA 541 CO -0.08 0.48 0.14 1.25 0.00 0.00 0.00 179.25 181.04 1pfw h LEU 542 N 0.86 0.24 -0.22 0.00 5.85 -0.65 -0.21 115.31 121.19 1pfw h LEU 542 Ca 0.19 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1pfw h LEU 542 Cb 0.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1pfw h LEU 542 CO -0.00 0.18 0.13 0.58 -0.34 0.00 0.00 178.44 178.98 1pfw h VAL 543 N 0.30 1.10 -0.84 1.05 2.07 -1.02 -0.83 116.25 118.07 1pfw h VAL 543 Ca 0.09 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1pfw h VAL 543 Cb -0.02 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1pfw h VAL 543 CO -0.03 0.09 0.43 -0.33 0.02 0.00 0.00 177.57 177.76 1pfw h GLU 544 N 0.26 1.20 -0.49 1.57 4.39 -1.03 -0.65 114.58 119.82 1pfw h GLU 544 Ca 0.08 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1pfw h GLU 544 Cb 0.04 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1pfw h GLU 544 CO -0.01 0.91 -0.01 0.00 -1.16 0.00 0.00 179.01 178.73 1pfw h ALA 545 N 1.23 1.07 -0.06 3.43 0.00 -0.84 -2.10 119.26 121.99 1pfw h ALA 545 Ca 0.29 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1pfw h ALA 545 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1pfw h ALA 545 CO -0.04 0.58 -0.44 0.77 0.00 0.00 0.00 179.25 180.12 1pfw h SER 546 N 0.76 0.14 -0.14 0.00 0.02 -0.48 -2.59 113.55 111.27 1pfw h SER 546 Ca 0.15 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1pfw h SER 546 Cb 0.47 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1pfw h SER 546 CO 0.02 0.57 -0.04 0.11 -1.14 0.00 0.00 176.83 176.36 1pfw h LYS 547 N 0.11 0.26 -0.21 3.45 1.57 -0.76 -3.10 116.57 117.90 1pfw h LYS 547 Ca 0.01 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1pfw h LYS 547 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1pfw h LYS 547 CO 0.06 0.56 0.16 0.93 -0.57 0.00 0.00 179.45 180.59 1pfw h GLU 548 N -0.05 0.00 0.00 3.15 4.39 -1.21 -3.48 114.58 117.38 1pfw h GLU 548 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1pfw h GLU 548 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1pfw h GLU 548 CO 0.01 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.25