#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfw s ASP 2 N 0.00 4.72 0.41 6.12 -1.08 -1.26 -5.09 116.67 120.49 1lfw s ASP 2 Ca 0.00 -3.16 -0.23 0.00 -0.52 0.00 0.00 52.55 48.64 1lfw s ASP 2 Cb 0.00 -1.71 -0.09 0.00 -1.46 0.00 0.00 42.92 39.66 1lfw s ASP 2 CO 0.00 -0.24 1.04 -0.76 0.52 0.00 0.00 175.17 175.73 1lfw s LEU 3 N -0.50 4.09 -1.19 -1.34 1.43 -1.26 -4.95 118.68 114.96 1lfw s LEU 3 Ca 0.19 2.00 -0.10 0.00 -1.03 0.00 0.00 54.13 55.18 1lfw s LEU 3 Cb -0.20 -4.25 0.21 0.00 0.03 0.00 0.00 46.19 41.98 1lfw s LEU 3 CO -0.04 -0.51 1.52 -0.46 0.23 0.00 0.00 176.35 177.08 1lfw n ASN 4 N -0.21 5.44 -0.22 2.29 2.04 -1.26 -4.86 115.26 118.48 1lfw n ASN 4 Ca 0.06 -3.10 -0.00 0.00 -0.44 0.00 0.00 54.58 51.09 1lfw n ASN 4 Cb 0.50 -1.46 0.06 0.00 -2.53 0.00 0.00 39.78 36.36 1lfw n ASN 4 CO 0.00 0.00 0.00 -0.26 -0.44 0.00 0.00 177.26 176.56 1lfw h PHE 5 N 6.35 -0.37 -0.09 -2.53 0.04 -1.92 -1.14 116.94 117.27 1lfw h PHE 5 Ca 0.30 0.06 0.01 0.00 2.80 0.00 0.00 57.97 61.13 1lfw h PHE 5 Cb 0.76 0.27 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1lfw h PHE 5 CO 1.07 -0.29 0.04 0.87 -0.60 0.00 0.00 178.31 179.40 1lfw h LYS 6 N -0.01 0.09 -0.62 1.51 1.57 -1.89 0.78 116.57 117.99 1lfw h LYS 6 Ca 0.31 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 1lfw h LYS 6 Cb 0.48 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1lfw h LYS 6 CO -0.67 0.06 0.12 0.93 -0.57 0.00 0.00 179.45 179.32 1lfw h GLU 7 N 0.09 1.02 -0.71 3.15 4.39 -1.92 -0.28 114.58 120.33 1lfw h GLU 7 Ca 0.04 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 1lfw h GLU 7 Cb 0.01 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1lfw h GLU 7 CO -0.03 0.94 0.25 -0.07 -1.16 0.00 0.00 179.01 178.94 1lfw h LEU 8 N 0.93 1.00 -0.43 1.33 3.38 -1.01 -2.00 115.31 118.51 1lfw h LEU 8 Ca 0.19 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1lfw h LEU 8 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1lfw h LEU 8 CO 0.01 0.91 -0.18 0.00 0.09 0.00 0.00 178.44 179.27 1lfw h ALA 9 N 1.23 0.60 -0.47 1.53 0.00 -0.53 -2.88 119.26 118.73 1lfw h ALA 9 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1lfw h ALA 9 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1lfw h ALA 9 CO -0.01 0.55 0.30 0.93 0.00 0.00 0.00 179.25 181.02 1lfw h GLU 10 N 0.71 0.63 0.00 0.00 4.39 -0.72 -1.32 114.58 118.26 1lfw h GLU 10 Ca 0.10 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1lfw h GLU 10 Cb 0.74 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1lfw h GLU 10 CO 0.06 0.43 0.00 0.00 -1.16 0.00 0.00 179.01 178.34 1lfw n ALA 11 N -2.46 1.61 1.20 3.43 0.00 -0.78 -2.29 120.51 121.22 1lfw n ALA 11 Ca 0.04 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1lfw n ALA 11 Cb 0.06 -1.39 0.36 0.00 0.00 0.00 0.00 19.45 18.49 1lfw n ALA 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lfw n LYS 12 N -2.27 1.92 -0.13 0.00 4.76 -0.50 -4.52 118.16 117.41 1lfw n LYS 12 Ca 0.02 -1.35 -0.05 0.00 -2.87 0.00 0.00 58.31 54.05 1lfw n LYS 12 Cb 0.22 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 31.95 1lfw n LYS 12 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1lfw h LYS 13 N 3.07 -0.15 -0.70 1.97 3.64 -1.51 0.14 116.57 123.04 1lfw h LYS 13 Ca 0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1lfw h LYS 13 Cb 0.66 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1lfw h LYS 13 CO 0.00 -0.10 0.24 -0.44 -2.27 0.00 0.00 179.45 176.88 1lfw h ASP 14 N -0.16 0.99 -0.13 4.20 3.32 -1.85 -1.90 116.42 120.89 1lfw h ASP 14 Ca 0.20 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1lfw h ASP 14 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1lfw h ASP 14 CO -0.53 0.92 0.02 0.00 -1.72 0.00 0.00 179.24 177.92 1lfw h ALA 15 N 1.11 0.18 -0.42 3.45 0.00 -1.65 -1.24 119.26 120.69 1lfw h ALA 15 Ca 0.23 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1lfw h ALA 15 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1lfw h ALA 15 CO -0.01 -0.16 -0.10 0.97 0.00 0.00 0.00 179.25 179.95 1lfw h ILE 16 N -0.01 1.25 -0.41 0.00 2.10 -0.72 -1.97 117.51 117.75 1lfw h ILE 16 Ca 0.04 -1.13 -0.07 0.00 1.08 0.00 0.00 64.86 64.78 1lfw h ILE 16 Cb 0.31 1.04 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 1lfw h ILE 16 CO 0.00 0.38 -0.05 -0.07 -1.08 0.00 0.00 178.15 177.34 1lfw h LEU 17 N 0.67 0.65 -0.62 2.19 3.38 -1.22 0.25 115.31 120.61 1lfw h LEU 17 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1lfw h LEU 17 Cb 0.56 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1lfw h LEU 17 CO 0.03 0.75 0.31 0.50 0.09 0.00 0.00 178.44 180.13 1lfw h LYS 18 N 0.63 0.89 -0.20 1.13 3.64 -0.83 0.22 116.57 122.06 1lfw h LYS 18 Ca 0.12 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1lfw h LYS 18 Cb 0.47 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1lfw h LYS 18 CO 0.02 0.71 -0.55 -0.44 -2.27 0.00 0.00 179.45 176.92 1lfw h ASP 19 N 0.85 0.82 -0.90 4.20 3.32 -0.83 -3.01 116.42 120.88 1lfw h ASP 19 Ca 0.22 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1lfw h ASP 19 Cb 0.10 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1lfw h ASP 19 CO -0.03 1.26 0.57 0.25 -1.72 0.00 0.00 179.24 179.57 1lfw h LEU 20 N 0.43 1.06 -0.76 1.55 5.85 -0.27 -1.33 115.31 121.84 1lfw h LEU 20 Ca -0.01 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1lfw h LEU 20 Cb 1.17 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1lfw h LEU 20 CO 0.12 0.79 0.50 -0.08 -0.34 0.00 0.00 178.44 179.43 1lfw h GLU 21 N 1.23 0.98 -0.11 1.25 4.81 -0.91 0.63 114.58 122.46 1lfw h GLU 21 Ca 0.33 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1lfw h GLU 21 Cb -0.09 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 1lfw h GLU 21 CO -0.07 0.65 -0.33 0.93 -0.73 0.00 0.00 179.01 179.46 1lfw h GLU 22 N 1.01 0.22 -0.03 1.92 5.08 -1.16 -2.04 114.58 119.58 1lfw h GLU 22 Ca 0.28 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1lfw h GLU 22 Cb -0.09 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1lfw h GLU 22 CO -0.07 0.53 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.00 1lfw h LEU 23 N 0.19 0.40 -1.73 1.33 3.38 -0.65 -3.21 115.31 115.02 1lfw h LEU 23 Ca 0.02 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 1lfw h LEU 23 Cb 0.69 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1lfw h LEU 23 CO 0.05 1.07 -0.02 0.40 0.09 0.00 0.00 178.44 180.03 1lfw h ILE 24 N -0.22 1.08 0.00 1.22 2.04 -0.85 -1.56 117.51 119.21 1lfw h ILE 24 Ca -0.04 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1lfw h ILE 24 Cb 1.11 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1lfw h ILE 24 CO 0.08 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1lfw n ALA 25 N -2.51 1.40 -2.55 1.87 0.00 -0.77 -4.44 120.51 113.50 1lfw n ALA 25 Ca -0.01 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 1lfw n ALA 25 Cb 0.16 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 1lfw n ALA 25 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lfw s ILE 26 N -3.24 5.28 -0.65 0.00 1.01 -0.59 -4.92 121.20 118.10 1lfw s ILE 26 Ca 0.03 -0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.36 1lfw s ILE 26 Cb 0.07 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1lfw s ILE 26 CO 0.25 0.08 1.55 -0.62 0.00 0.00 0.00 174.94 176.19 1lfw s ASP 27 N 1.73 5.79 -0.49 3.58 -1.08 -1.26 -4.83 116.67 120.12 1lfw s ASP 27 Ca 0.07 0.04 0.03 0.00 -0.52 0.00 0.00 52.55 52.17 1lfw s ASP 27 Cb -0.17 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.27 1lfw s ASP 27 CO 0.11 -2.03 1.78 -1.54 0.52 0.00 0.00 175.17 174.00 1lfw n SER 28 N 10.80 5.29 -4.85 -0.34 3.41 -1.26 -4.48 113.62 122.19 1lfw n SER 28 Ca 0.12 -3.74 -0.32 0.00 -0.26 0.00 0.00 58.87 54.67 1lfw n SER 28 Cb 0.50 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1lfw n SER 28 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1lfw s SER 29 N -2.08 6.44 0.45 4.04 1.04 -1.25 -2.31 113.70 120.02 1lfw s SER 29 Ca 0.57 1.54 -0.25 0.00 0.48 0.00 0.00 55.95 58.30 1lfw s SER 29 Cb 0.47 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 64.00 1lfw s SER 29 CO 0.03 -0.72 1.26 1.21 0.98 0.00 0.00 173.24 176.00 1lfw n GLU 30 N -1.98 1.84 -3.22 4.02 2.13 -1.26 -4.52 120.64 117.65 1lfw n GLU 30 Ca 0.07 0.66 -0.24 0.00 0.66 0.00 0.00 57.16 58.30 1lfw n GLU 30 Cb 0.54 -2.39 -0.07 0.00 0.27 0.00 0.00 31.44 29.79 1lfw n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1lfw n ASP 31 N 0.03 0.11 0.06 4.31 3.85 -0.39 -4.96 116.55 119.55 1lfw n ASP 31 Ca 0.07 -2.65 0.02 0.00 -0.71 0.00 0.00 54.79 51.52 1lfw n ASP 31 Cb 0.41 -0.63 0.39 0.00 -1.35 0.00 0.00 41.12 39.93 1lfw n ASP 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1lfw h LEU 32 N 4.22 0.37 -1.60 -2.12 4.07 -1.93 -2.62 115.31 115.70 1lfw h LEU 32 Ca 0.10 -0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.07 1lfw h LEU 32 Cb 0.88 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 1lfw h LEU 32 CO 0.45 0.40 0.35 -0.08 -1.08 0.00 0.00 178.44 178.48 1lfw h GLU 33 N 0.39 0.48 -0.25 1.13 4.81 -1.94 -2.59 114.58 116.62 1lfw h GLU 33 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1lfw h GLU 33 Cb 0.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1lfw h GLU 33 CO 0.00 0.32 0.00 0.09 -0.73 0.00 0.00 179.01 178.69 1lfw n ASN 34 N -4.47 3.40 -4.78 1.04 3.02 -1.05 -5.03 115.26 107.37 1lfw n ASN 34 Ca 0.07 -2.68 -0.33 0.00 -0.03 0.00 0.00 54.58 51.61 1lfw n ASN 34 Cb 0.23 -0.42 0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1lfw n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lfw s ALA 35 N -2.22 2.63 0.27 5.41 0.00 -0.98 -4.70 121.76 122.17 1lfw s ALA 35 Ca 0.34 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 1lfw s ALA 35 Cb 0.26 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1lfw s ALA 35 CO 0.10 -0.97 0.29 0.95 0.00 0.00 0.00 175.76 176.13 1lfw s THR 36 N -2.28 0.00 0.40 0.00 -4.23 -0.24 -4.94 115.64 104.34 1lfw s THR 36 Ca 0.66 -1.84 0.09 0.00 -1.18 0.00 0.00 61.69 59.43 1lfw s THR 36 Cb -0.19 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.36 1lfw s THR 36 CO 0.36 0.00 1.96 -0.08 -0.54 0.00 0.00 174.62 176.33 1lfw h GLU 37 N 2.34 0.32 -0.10 3.99 4.57 -1.97 -0.33 114.58 123.40 1lfw h GLU 37 Ca -0.30 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 57.66 1lfw h GLU 37 Cb 1.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1lfw h GLU 37 CO 0.43 0.36 -0.66 1.49 -1.18 0.00 0.00 179.01 179.45 1lfw h GLU 38 N 0.31 0.39 -2.68 1.92 4.81 -1.95 -3.34 114.58 114.04 1lfw h GLU 38 Ca 0.07 -0.29 -0.61 0.00 -0.13 0.00 0.00 59.36 58.41 1lfw h GLU 38 Cb 0.24 0.05 -0.41 0.00 0.63 0.00 0.00 28.75 29.26 1lfw h GLU 38 CO 0.01 0.91 -0.70 0.66 -0.73 0.00 0.00 179.01 179.16 1lfw n TYR 39 N -3.87 2.16 -0.39 0.92 4.02 -0.61 -4.69 117.16 114.70 1lfw n TYR 39 Ca -0.04 -4.01 0.37 0.00 -0.01 0.00 0.00 57.90 54.21 1lfw n TYR 39 Cb 0.66 -0.40 0.73 0.00 -0.02 0.00 0.00 39.34 40.31 1lfw n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1lfw h PRO 40 N 5.11 0.05 0.00 -0.72 0.13 -1.23 -0.31 132.00 135.03 1lfw h PRO 40 Ca 0.18 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1lfw h PRO 40 Cb 0.78 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.85 1lfw h PRO 40 CO 0.65 0.04 -0.35 1.33 -0.23 0.00 0.00 178.00 179.43 1lfw n VAL 41 N -4.23 1.08 0.00 1.56 0.24 -1.26 -4.62 118.33 111.08 1lfw n VAL 41 Ca 0.29 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1lfw n VAL 41 Cb 1.34 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1lfw n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lfw n GLY 42 N -0.69 2.61 0.14 7.63 0.00 -0.54 -1.26 105.19 113.07 1lfw n GLY 42 Ca 0.10 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 1lfw n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1lfw h LYS 43 N 0.00 0.02 -0.15 1.61 3.64 -1.84 -3.32 116.57 116.52 1lfw h LYS 43 Ca 0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1lfw h LYS 43 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1lfw h LYS 43 CO 0.00 0.63 -0.18 0.78 -2.27 0.00 0.00 179.45 178.42 1lfw h GLY 44 N 1.83 -0.11 0.99 5.01 0.00 -1.87 0.27 103.07 109.19 1lfw h GLY 44 Ca -0.01 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1lfw h GLY 44 CO 0.08 -0.17 0.54 -2.55 0.00 0.00 0.00 176.54 174.44 1lfw h PRO 45 N -0.21 0.91 -0.37 4.80 0.11 -1.74 -1.60 132.00 133.89 1lfw h PRO 45 Ca 0.10 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1lfw h PRO 45 Cb 0.36 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1lfw h PRO 45 CO -0.27 0.60 -0.06 0.28 -0.21 0.00 0.00 178.00 178.34 1lfw h VAL 46 N 0.93 1.27 -0.87 3.15 2.07 -1.41 -2.13 116.25 119.27 1lfw h VAL 46 Ca 0.34 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1lfw h VAL 46 Cb 0.16 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1lfw h VAL 46 CO -0.12 0.37 0.57 0.44 0.02 0.00 0.00 177.57 178.85 1lfw h ASP 47 N 0.50 0.94 -0.28 0.57 3.32 0.31 0.33 116.42 122.11 1lfw h ASP 47 Ca 0.10 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 1lfw h ASP 47 Cb 0.55 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1lfw h ASP 47 CO 0.03 0.64 -0.53 0.00 -1.72 0.00 0.00 179.24 177.66 1lfw h ALA 48 N 1.49 0.45 -0.43 3.45 0.00 -1.16 -0.96 119.26 122.10 1lfw h ALA 48 Ca 0.34 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1lfw h ALA 48 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1lfw h ALA 48 CO -0.10 0.65 -0.28 1.98 0.00 0.00 0.00 179.25 181.50 1lfw h MET 49 N 0.64 0.92 -0.05 0.00 1.85 -0.70 -1.50 114.93 116.09 1lfw h MET 49 Ca 0.01 -0.42 -0.12 0.00 -0.61 0.00 0.00 59.70 58.56 1lfw h MET 49 Cb 1.14 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.14 1lfw h MET 49 CO 0.12 1.08 -0.52 0.00 -0.40 0.00 0.00 176.91 177.18 1lfw h THR 50 N 0.78 1.37 -0.45 -0.77 1.03 -0.33 -0.85 112.91 113.69 1lfw h THR 50 Ca 0.09 -1.80 -0.08 0.00 -0.01 0.00 0.00 66.41 64.61 1lfw h THR 50 Cb 0.85 1.91 -0.02 0.00 -1.07 0.00 0.00 68.15 69.82 1lfw h THR 50 CO 0.07 0.53 -0.04 0.50 -0.01 0.00 0.00 175.52 176.57 1lfw h LYS 51 N 0.11 0.83 -0.19 0.00 1.63 -0.98 -0.42 116.57 117.56 1lfw h LYS 51 Ca 0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1lfw h LYS 51 Cb 0.96 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1lfw h LYS 51 CO 0.08 0.91 0.13 0.35 -3.45 0.00 0.00 179.45 177.46 1lfw h PHE 52 N 0.67 0.24 -0.26 1.91 3.57 -0.93 -1.76 116.94 120.38 1lfw h PHE 52 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1lfw h PHE 52 Cb 0.56 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1lfw h PHE 52 CO 0.04 0.15 0.14 -0.07 -2.23 0.00 0.00 178.31 176.34 1lfw h LEU 53 N 0.26 0.31 -1.41 0.59 3.38 -0.91 -1.27 115.31 116.26 1lfw h LEU 53 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1lfw h LEU 53 Cb -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1lfw h LEU 53 CO -0.01 0.26 -0.13 0.77 0.09 0.00 0.00 178.44 179.42 1lfw h SER 54 N 0.36 0.22 -0.22 -0.43 4.64 -0.19 0.69 113.55 118.62 1lfw h SER 54 Ca 0.09 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1lfw h SER 54 Cb 0.02 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1lfw h SER 54 CO -0.02 0.38 -0.03 -0.26 -0.87 0.00 0.00 176.83 176.03 1lfw h PHE 55 N 0.22 0.47 -0.84 4.77 0.05 -0.84 0.53 116.94 121.29 1lfw h PHE 55 Ca 0.05 -0.09 -0.03 0.00 3.82 0.00 0.00 57.97 61.71 1lfw h PHE 55 Cb 0.37 -0.12 -0.04 0.00 2.00 0.00 0.00 35.95 38.16 1lfw h PHE 55 CO 0.01 0.63 0.40 0.00 -0.18 0.00 0.00 178.31 179.17 1lfw h ALA 56 N 0.77 1.11 -0.28 2.45 0.00 -1.12 0.17 119.26 122.36 1lfw h ALA 56 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1lfw h ALA 56 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1lfw h ALA 56 CO 0.02 0.67 0.02 -0.22 0.00 0.00 0.00 179.25 179.73 1lfw h LYS 57 N 1.21 0.48 -0.92 0.00 3.64 -0.67 0.23 116.57 120.54 1lfw h LYS 57 Ca 0.29 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1lfw h LYS 57 Cb 0.13 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1lfw h LYS 57 CO -0.03 0.62 0.56 -0.09 -2.27 0.00 0.00 179.45 178.24 1lfw h ARG 58 N 0.28 0.92 -0.01 1.90 2.43 -0.54 -1.36 114.38 118.00 1lfw h ARG 58 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1lfw h ARG 58 Cb 0.39 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1lfw h ARG 58 CO 0.01 0.61 0.00 -0.25 -1.51 0.00 0.00 179.97 178.83 1lfw n ASP 59 N -4.65 0.15 0.00 -3.80 10.43 0.02 -4.92 116.55 113.78 1lfw n ASP 59 Ca 0.16 -1.15 0.00 0.00 2.57 0.00 0.00 54.79 56.37 1lfw n ASP 59 Cb 0.28 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.23 1lfw n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1lfw n GLY 60 N 0.97 0.93 3.93 0.44 0.00 -0.51 -5.04 105.19 105.90 1lfw n GLY 60 Ca 0.21 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1lfw n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lfw s PHE 61 N -2.00 3.48 -0.08 1.61 0.08 0.01 -5.01 117.98 116.08 1lfw s PHE 61 Ca 0.00 0.33 -0.22 0.00 0.12 0.00 0.00 56.93 57.17 1lfw s PHE 61 Cb 0.00 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1lfw s PHE 61 CO 0.00 0.41 0.64 0.34 -0.10 0.00 0.00 175.22 176.51 1lfw s ASP 62 N -3.05 6.91 0.30 1.36 -1.08 -1.26 -4.18 116.67 115.66 1lfw s ASP 62 Ca 0.38 1.09 0.09 0.00 -0.52 0.00 0.00 52.55 53.59 1lfw s ASP 62 Cb -0.11 -2.38 -0.06 0.00 -1.46 0.00 0.00 42.92 38.91 1lfw s ASP 62 CO 0.28 -0.08 -0.11 0.42 0.52 0.00 0.00 175.17 176.20 1lfw s THR 63 N 0.75 2.08 -0.05 1.71 -4.23 -1.26 -1.07 115.64 113.57 1lfw s THR 63 Ca 0.34 -2.22 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1lfw s THR 63 Cb -0.17 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.21 1lfw s THR 63 CO 0.16 -0.30 0.11 -1.61 -0.54 0.00 0.00 174.62 172.44 1lfw s GLU 64 N -3.63 0.08 -0.30 3.99 2.02 0.12 -4.98 118.70 116.00 1lfw s GLU 64 Ca 0.30 0.25 -0.04 0.00 0.02 0.00 0.00 54.97 55.51 1lfw s GLU 64 Cb 0.01 -0.09 0.04 0.00 0.10 0.00 0.00 34.13 34.19 1lfw s GLU 64 CO 0.14 -0.10 0.03 1.21 0.02 0.00 0.00 175.26 176.56 1lfw s ASN 65 N 0.69 4.95 -1.16 -0.19 3.84 -1.26 -0.42 114.94 121.39 1lfw s ASN 65 Ca -0.05 -1.12 -0.17 0.00 0.21 0.00 0.00 52.86 51.73 1lfw s ASN 65 Cb -0.07 -1.77 0.11 0.00 -0.55 0.00 0.00 41.25 38.98 1lfw s ASN 65 CO -0.03 -0.25 1.48 -0.36 -2.79 0.00 0.00 177.10 175.14 1lfw s PHE 66 N 1.33 3.07 -1.32 0.43 0.40 0.36 -4.46 117.98 117.79 1lfw s PHE 66 Ca -0.03 -1.66 -0.10 0.00 -0.60 0.00 0.00 56.93 54.54 1lfw s PHE 66 Cb -0.19 -4.50 0.08 0.00 0.51 0.00 0.00 43.02 38.92 1lfw s PHE 66 CO -0.00 -1.62 0.52 0.00 0.70 0.00 0.00 175.22 174.82 1lfw n ALA 67 N 7.13 -1.08 -0.81 5.36 0.00 -1.26 -0.78 120.51 129.07 1lfw n ALA 67 Ca 0.38 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1lfw n ALA 67 Cb 0.46 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1lfw n ALA 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lfw n ASN 68 N -2.33 -0.62 0.09 0.00 3.02 -1.26 -4.85 115.26 109.31 1lfw n ASN 68 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.32 1lfw n ASN 68 Cb 0.54 -1.21 -0.15 0.00 -0.61 0.00 0.00 39.78 38.35 1lfw n ASN 68 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1lfw h TYR 69 N 0.00 0.74 -3.56 3.10 0.05 -1.30 -3.44 116.97 112.56 1lfw h TYR 69 Ca 0.00 -0.54 -0.06 0.00 0.05 0.00 0.00 58.73 58.18 1lfw h TYR 69 Cb 0.06 -0.03 -0.11 0.00 1.01 0.00 0.00 36.73 37.66 1lfw h TYR 69 CO 0.04 1.43 -0.13 0.00 -1.05 0.00 0.00 178.16 178.45 1lfw s ALA 70 N -2.50 -0.53 0.13 3.88 0.00 -1.23 -3.76 121.76 117.74 1lfw s ALA 70 Ca -0.12 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1lfw s ALA 70 Cb 0.02 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1lfw s ALA 70 CO 0.88 -0.73 -0.15 0.20 0.00 0.00 0.00 175.76 175.96 1lfw s GLY 71 N -2.91 1.14 -0.00 0.00 0.00 -0.32 -0.49 107.32 104.74 1lfw s GLY 71 Ca 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1lfw s GLY 71 CO -0.02 -1.36 -0.01 -1.60 0.00 0.00 0.00 173.10 170.11 1lfw s ARG 72 N -2.58 0.12 -0.18 2.90 3.52 0.44 -0.57 118.95 122.59 1lfw s ARG 72 Ca 0.09 -0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 55.63 1lfw s ARG 72 Cb -0.06 -0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.19 1lfw s ARG 72 CO 0.04 0.02 -0.07 0.08 -0.81 0.00 0.00 175.30 174.56 1lfw s VAL 73 N 0.05 3.35 -0.04 7.11 1.01 0.59 -0.71 120.40 131.76 1lfw s VAL 73 Ca -0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1lfw s VAL 73 Cb -0.01 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1lfw s VAL 73 CO -0.00 0.46 0.31 0.20 0.00 0.00 0.00 175.10 176.07 1lfw s ASN 74 N 0.99 6.64 -0.23 3.32 0.01 -0.23 -1.58 114.94 123.87 1lfw s ASN 74 Ca -0.00 0.77 -0.18 0.00 -0.71 0.00 0.00 52.86 52.73 1lfw s ASN 74 Cb -0.15 -2.18 0.06 0.00 0.41 0.00 0.00 41.25 39.40 1lfw s ASN 74 CO -0.00 0.35 0.59 0.12 -1.51 0.00 0.00 177.10 176.65 1lfw s PHE 75 N -1.08 -0.73 0.02 2.20 5.99 -0.99 -4.11 117.98 119.28 1lfw s PHE 75 Ca 0.21 1.67 0.00 0.00 0.00 0.00 0.00 56.93 58.81 1lfw s PHE 75 Cb -0.15 0.31 0.00 0.00 0.00 0.00 0.00 43.02 43.18 1lfw s PHE 75 CO 0.10 -0.36 0.00 0.41 -0.00 0.00 0.00 175.22 175.37 1lfw n GLY 76 N 3.24 -2.12 3.45 13.12 0.00 -1.26 0.36 105.19 121.99 1lfw n GLY 76 Ca -0.16 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1lfw n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfw s ALA 77 N -1.12 -1.67 0.00 4.61 0.00 -1.09 -4.50 121.76 117.99 1lfw s ALA 77 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1lfw s ALA 77 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1lfw s ALA 77 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1lfw n GLY 78 N -0.19 2.72 0.19 0.00 0.00 -1.26 -1.74 105.19 104.91 1lfw n GLY 78 Ca -0.15 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 44.88 1lfw n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1lfw h ASP 79 N 0.00 0.00 -2.92 1.61 2.03 -1.90 -3.37 116.42 111.88 1lfw h ASP 79 Ca 0.00 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.67 1lfw h ASP 79 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1lfw h ASP 79 CO 0.00 0.35 -0.51 -0.54 -1.03 0.00 0.00 179.24 177.51 1lfw s LYS 80 N -3.57 3.36 -0.02 4.15 -0.14 -1.26 -4.98 119.74 117.28 1lfw s LYS 80 Ca 0.00 -0.43 0.07 0.00 -1.36 0.00 0.00 55.97 54.25 1lfw s LYS 80 Cb 0.11 -3.02 -0.02 0.00 -1.68 0.00 0.00 37.83 33.22 1lfw s LYS 80 CO 0.68 0.63 -0.23 1.03 -0.76 0.00 0.00 175.35 176.70 1lfw s ARG 81 N -2.27 2.19 -0.18 1.68 0.52 -1.26 -0.87 118.95 118.75 1lfw s ARG 81 Ca 0.31 -0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 54.61 1lfw s ARG 81 Cb -0.13 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 1lfw s ARG 81 CO 0.24 0.57 -0.05 -1.17 0.02 0.00 0.00 175.30 174.91 1lfw s LEU 82 N -0.70 3.00 -0.13 2.53 2.96 0.82 -1.09 118.68 126.07 1lfw s LEU 82 Ca 0.11 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 1lfw s LEU 82 Cb -0.10 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1lfw s LEU 82 CO -0.00 0.07 0.03 -0.83 -1.32 0.00 0.00 176.35 174.30 1lfw s GLY 83 N 0.92 1.88 -0.24 7.98 0.00 0.93 -0.19 107.32 118.60 1lfw s GLY 83 Ca -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1lfw s GLY 83 CO 0.01 -0.25 -0.04 -0.42 0.00 0.00 0.00 173.10 172.40 1lfw s ILE 84 N -0.26 1.50 -0.17 0.90 1.01 -0.54 -1.89 121.20 121.75 1lfw s ILE 84 Ca 0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 1lfw s ILE 84 Cb -0.12 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 1lfw s ILE 84 CO 0.02 -0.16 -0.12 -0.63 0.00 0.00 0.00 174.94 174.04 1lfw s ILE 85 N 1.40 2.87 0.38 2.92 1.01 -0.94 -0.52 121.20 128.32 1lfw s ILE 85 Ca -0.04 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1lfw s ILE 85 Cb -0.19 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1lfw s ILE 85 CO -0.07 0.50 0.05 -0.83 0.00 0.00 0.00 174.94 174.58 1lfw s GLY 86 N 0.94 2.35 -0.00 6.18 0.00 0.12 -3.99 107.32 112.91 1lfw s GLY 86 Ca -0.02 -1.91 0.06 0.00 0.00 0.00 0.00 44.72 42.85 1lfw s GLY 86 CO -0.01 -1.94 -0.19 -2.38 0.00 0.00 0.00 173.10 168.58 1lfw s HIS 87 N -3.07 1.66 -1.58 1.90 -3.43 -1.26 -0.73 115.29 108.78 1lfw s HIS 87 Ca 0.32 -0.33 0.24 0.00 -0.80 0.00 0.00 55.06 54.49 1lfw s HIS 87 Cb 0.08 -1.05 0.20 0.00 -1.43 0.00 0.00 32.58 30.38 1lfw s HIS 87 CO 0.15 -0.00 1.21 -1.33 -2.00 0.00 0.00 174.74 172.77 1lfw n MET 88 N 2.45 0.66 -2.77 -0.38 2.81 0.04 -4.12 117.12 115.81 1lfw n MET 88 Ca -0.15 -0.50 -0.28 0.00 -1.81 0.00 0.00 57.70 54.96 1lfw n MET 88 Cb 0.54 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.54 1lfw n MET 88 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1lfw s ASP 89 N -2.68 6.36 0.16 7.83 -4.77 -1.26 -4.71 116.67 117.60 1lfw s ASP 89 Ca 0.16 0.97 0.01 0.00 -3.30 0.00 0.00 52.55 50.40 1lfw s ASP 89 Cb 0.18 -2.26 -0.04 0.00 -1.09 0.00 0.00 42.92 39.70 1lfw s ASP 89 CO 0.65 -0.48 0.02 0.68 0.70 0.00 0.00 175.17 176.73 1lfw s VAL 90 N -2.56 0.52 0.63 2.11 -7.23 -0.98 -4.38 120.40 108.52 1lfw s VAL 90 Ca 0.48 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.60 1lfw s VAL 90 Cb -0.10 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1lfw s VAL 90 CO 0.39 -0.47 0.99 0.68 -0.31 0.00 0.00 175.10 176.39 1lfw s VAL 91 N -3.76 4.07 0.71 1.32 -7.23 -1.26 -3.91 120.40 110.34 1lfw s VAL 91 Ca 0.24 0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 60.70 1lfw s VAL 91 Cb 0.06 -3.64 -0.00 0.00 0.56 0.00 0.00 36.38 33.36 1lfw s VAL 91 CO 0.03 -0.78 0.95 -2.65 -0.31 0.00 0.00 175.10 172.35 1lfw n PRO 92 N -2.74 0.55 -0.26 4.82 -0.02 -1.26 -4.81 135.00 131.27 1lfw n PRO 92 Ca 0.05 0.24 -0.05 0.00 -2.02 0.00 0.00 63.50 61.72 1lfw n PRO 92 Cb 0.56 -2.20 0.06 0.00 -0.02 0.00 0.00 33.50 31.90 1lfw n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lfw h ALA 93 N -0.17 0.93 -0.36 3.55 0.00 -1.97 -3.48 119.26 117.76 1lfw h ALA 93 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1lfw h ALA 93 Cb 1.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1lfw h ALA 93 CO 0.47 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1lfw n GLY 94 N -1.26 -0.77 3.88 0.00 0.00 -1.26 -4.77 105.19 101.01 1lfw n GLY 94 Ca 0.07 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1lfw n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lfw s GLU 95 N 0.00 2.86 0.00 1.61 2.02 -1.26 -4.66 118.70 119.26 1lfw s GLU 95 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1lfw s GLU 95 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1lfw s GLU 95 CO 0.00 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.83 1lfw n GLY 96 N -1.41 0.69 3.77 -1.39 0.00 -1.26 -4.62 105.19 100.97 1lfw n GLY 96 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1lfw n GLY 96 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1lfw s TRP 97 N -2.39 3.13 -1.25 1.61 0.52 -1.26 -4.66 118.94 114.66 1lfw s TRP 97 Ca 0.00 1.51 0.14 0.00 0.02 0.00 0.00 56.10 57.77 1lfw s TRP 97 Cb 0.00 -3.52 0.35 0.00 -1.15 0.00 0.00 33.47 29.15 1lfw s TRP 97 CO 0.00 -1.47 1.27 -2.37 0.02 0.00 0.00 176.95 174.40 1lfw n THR 98 N 0.60 0.87 -3.98 2.01 5.66 -1.26 -4.97 114.28 113.21 1lfw n THR 98 Ca 0.01 -0.93 -0.12 0.00 -3.05 0.00 0.00 64.05 59.96 1lfw n THR 98 Cb 0.44 0.61 -0.02 0.00 -1.55 0.00 0.00 70.33 69.80 1lfw n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1lfw s ARG 99 N -1.02 1.97 -0.13 1.09 1.70 -1.26 -5.11 118.95 116.19 1lfw s ARG 99 Ca 0.27 -1.57 -0.29 0.00 -0.47 0.00 0.00 55.73 53.67 1lfw s ARG 99 Cb 0.15 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1lfw s ARG 99 CO 0.20 -0.86 1.35 0.34 -1.08 0.00 0.00 175.30 175.25 1lfw s ASP 100 N -3.15 6.88 0.38 -2.89 -1.08 -1.26 -4.87 116.67 110.69 1lfw s ASP 100 Ca 0.24 1.84 0.27 0.00 -0.52 0.00 0.00 52.55 54.38 1lfw s ASP 100 Cb -0.02 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.22 1lfw s ASP 100 CO 0.16 -0.79 1.83 1.55 0.52 0.00 0.00 175.17 178.44 1lfw h PRO 101 N 8.44 0.00 -0.60 4.34 0.13 -1.97 -2.53 132.00 139.81 1lfw h PRO 101 Ca -0.30 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.46 1lfw h PRO 101 Cb 1.13 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.03 1lfw h PRO 101 CO 0.96 0.00 -0.02 1.19 -0.23 0.00 0.00 178.00 179.90 1lfw n PHE 102 N -2.49 1.96 -3.60 1.56 3.72 -1.26 -0.66 117.46 116.68 1lfw n PHE 102 Ca -0.00 -2.00 -0.25 0.00 -0.05 0.00 0.00 57.45 55.15 1lfw n PHE 102 Cb 0.15 -0.66 -0.17 0.00 -0.94 0.00 0.00 39.48 37.86 1lfw n PHE 102 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1lfw s LYS 103 N -3.43 0.07 0.22 -1.08 -0.14 -0.95 -3.83 119.74 110.59 1lfw s LYS 103 Ca 0.50 -0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.80 1lfw s LYS 103 Cb 0.43 -1.65 -0.10 0.00 -1.68 0.00 0.00 37.83 34.83 1lfw s LYS 103 CO 0.01 -0.64 1.47 1.41 -0.76 0.00 0.00 175.35 176.84 1lfw s MET 104 N 2.17 4.26 -0.04 1.68 -2.45 -1.26 -4.67 119.30 118.98 1lfw s MET 104 Ca 0.03 2.30 -0.00 0.00 -1.25 0.00 0.00 55.69 56.76 1lfw s MET 104 Cb -0.16 -3.13 0.03 0.00 1.25 0.00 0.00 34.83 32.82 1lfw s MET 104 CO -0.09 -0.47 -0.00 -2.00 1.05 0.00 0.00 175.02 173.51 1lfw s GLU 105 N 0.12 0.42 -0.21 4.11 2.56 -0.90 -4.97 118.70 119.83 1lfw s GLU 105 Ca 0.62 0.08 -0.05 0.00 0.00 0.00 0.00 54.97 55.62 1lfw s GLU 105 Cb -0.42 -0.64 -0.02 0.00 2.00 0.00 0.00 34.13 35.05 1lfw s GLU 105 CO 0.39 -0.18 -0.01 0.42 -0.56 0.00 0.00 175.26 175.33 1lfw s ILE 106 N 1.30 3.78 0.88 -3.70 1.01 -1.26 0.20 121.20 123.41 1lfw s ILE 106 Ca -0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 1lfw s ILE 106 Cb -0.13 -2.72 0.19 0.00 0.01 0.00 0.00 42.46 39.81 1lfw s ILE 106 CO -0.02 0.42 1.21 1.51 0.00 0.00 0.00 174.94 178.06 1lfw s ASP 107 N 1.22 3.46 0.60 3.58 1.47 -0.46 -4.93 116.67 121.60 1lfw s ASP 107 Ca 0.03 -0.06 0.35 0.00 1.18 0.00 0.00 52.55 54.05 1lfw s ASP 107 Cb -0.15 -0.05 1.93 0.00 -0.34 0.00 0.00 42.92 44.31 1lfw s ASP 107 CO 0.01 -2.48 2.23 1.05 0.68 0.00 0.00 175.17 176.66 1lfw h GLU 108 N -1.26 0.00 -0.01 2.11 9.09 -1.99 -1.87 114.58 120.65 1lfw h GLU 108 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.01 1lfw h GLU 108 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1lfw h GLU 108 CO 0.36 0.03 -0.15 0.39 0.05 0.00 0.00 179.01 179.68 1lfw n GLU 109 N -3.43 1.11 -0.20 1.06 4.71 -1.26 -4.92 120.64 117.71 1lfw n GLU 109 Ca -0.02 -0.63 0.00 0.00 -0.01 0.00 0.00 57.16 56.50 1lfw n GLU 109 Cb 0.14 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1lfw n GLU 109 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1lfw n GLY 110 N 1.27 0.75 3.70 0.62 0.00 -0.70 -4.89 105.19 105.95 1lfw n GLY 110 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1lfw n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lfw s ARG 111 N -0.80 4.42 -0.50 1.61 0.52 -1.26 -0.25 118.95 122.69 1lfw s ARG 111 Ca 0.00 1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 56.68 1lfw s ARG 111 Cb 0.00 -3.48 0.10 0.00 0.52 0.00 0.00 34.95 32.08 1lfw s ARG 111 CO 0.00 -0.31 0.43 0.42 0.02 0.00 0.00 175.30 175.86 1lfw s ILE 112 N 1.66 5.17 0.29 1.52 1.01 0.18 -1.36 121.20 129.67 1lfw s ILE 112 Ca 0.55 -1.25 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 1lfw s ILE 112 Cb -0.25 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 1lfw s ILE 112 CO 0.24 -0.69 0.78 -0.31 0.00 0.00 0.00 174.94 174.97 1lfw s TYR 113 N 1.61 3.53 0.00 3.97 1.51 0.13 -1.73 117.35 126.38 1lfw s TYR 113 Ca 0.04 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.50 1lfw s TYR 113 Cb -0.26 -2.65 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 1lfw s TYR 113 CO 0.05 0.20 0.00 0.41 -1.11 0.00 0.00 175.55 175.10 1lfw n GLY 114 N 0.21 4.12 3.72 0.71 0.00 -0.54 -2.11 105.19 111.30 1lfw n GLY 114 Ca 0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1lfw n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lfw s ARG 115 N -2.78 4.40 0.00 1.61 6.06 0.16 -1.64 118.95 126.76 1lfw s ARG 115 Ca 0.00 1.94 0.00 0.00 -2.50 0.00 0.00 55.73 55.17 1lfw s ARG 115 Cb 0.00 -3.27 0.00 0.00 0.06 0.00 0.00 34.95 31.74 1lfw s ARG 115 CO 0.00 -0.28 0.00 0.41 -2.50 0.00 0.00 175.30 172.93 1lfw n GLY 116 N 2.97 1.08 0.12 8.12 0.00 -1.25 -4.79 105.19 111.44 1lfw n GLY 116 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1lfw n GLY 116 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lfw h SER 117 N 0.00 0.29 0.36 1.61 4.64 -1.63 0.12 113.55 118.94 1lfw h SER 117 Ca 0.00 -0.08 -0.32 0.00 -0.47 0.00 0.00 61.79 60.93 1lfw h SER 117 Cb 0.00 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 1lfw h SER 117 CO 0.00 0.28 -1.81 0.00 -0.87 0.00 0.00 176.83 174.43 1lfw n ALA 118 N -2.20 1.27 -3.61 5.18 0.00 -1.26 -2.46 120.51 117.44 1lfw n ALA 118 Ca -0.03 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.42 1lfw n ALA 118 Cb 0.07 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 1lfw n ALA 118 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1lfw s ASP 119 N -6.43 3.52 -0.45 0.00 3.68 -1.19 -4.80 116.67 110.99 1lfw s ASP 119 Ca -0.11 -1.96 0.07 0.00 2.13 0.00 0.00 52.55 52.68 1lfw s ASP 119 Cb 0.07 -0.65 0.31 0.00 -1.45 0.00 0.00 42.92 41.20 1lfw s ASP 119 CO 0.81 -0.35 1.02 -0.67 0.13 0.00 0.00 175.17 176.10 1lfw n ASP 120 N 4.39 -2.00 -0.13 -0.34 2.03 -1.23 -3.79 116.55 115.48 1lfw n ASP 120 Ca 0.04 -3.53 -0.27 0.00 0.52 0.00 0.00 54.79 51.55 1lfw n ASP 120 Cb 0.39 1.54 -0.11 0.00 -0.72 0.00 0.00 41.12 42.22 1lfw n ASP 120 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1lfw n LYS 121 N 0.61 0.60 0.33 -0.67 5.02 0.40 -1.48 118.16 122.97 1lfw n LYS 121 Ca 0.09 0.27 -0.16 0.00 -2.02 0.00 0.00 58.31 56.48 1lfw n LYS 121 Cb 0.68 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1lfw n LYS 121 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1lfw h GLY 122 N -0.36 -0.88 1.00 0.72 0.00 -1.23 -1.07 103.07 101.25 1lfw h GLY 122 Ca -0.65 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1lfw h GLY 122 CO -0.33 -0.32 0.58 -2.55 0.00 0.00 0.00 176.54 173.92 1lfw h PRO 123 N -0.99 1.15 -0.81 4.80 0.11 -1.74 0.53 132.00 135.04 1lfw h PRO 123 Ca -0.09 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1lfw h PRO 123 Cb 0.69 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 1lfw h PRO 123 CO 0.14 0.76 0.46 0.77 -0.21 0.00 0.00 178.00 179.92 1lfw h SER 124 N 1.18 1.00 0.04 -2.05 0.02 -1.25 -0.52 113.55 111.98 1lfw h SER 124 Ca 0.32 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1lfw h SER 124 Cb -0.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.15 1lfw h SER 124 CO -0.07 0.80 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.98 1lfw h LEU 125 N 1.12 0.45 -0.71 5.07 3.38 -0.58 -0.83 115.31 123.22 1lfw h LEU 125 Ca 0.29 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1lfw h LEU 125 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1lfw h LEU 125 CO -0.05 0.78 -0.06 0.71 0.09 0.00 0.00 178.44 179.92 1lfw h THR 126 N 0.37 1.26 -0.55 0.22 1.35 -0.11 0.16 112.91 115.62 1lfw h THR 126 Ca 0.04 -1.17 -0.11 0.00 -0.55 0.00 0.00 66.41 64.62 1lfw h THR 126 Cb 0.81 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1lfw h THR 126 CO 0.07 0.41 -0.09 0.00 -0.25 0.00 0.00 175.52 175.66 1lfw h ALA 127 N 1.07 0.75 -0.51 6.62 0.00 -0.83 -0.11 119.26 126.26 1lfw h ALA 127 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1lfw h ALA 127 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1lfw h ALA 127 CO 0.04 0.65 0.20 -0.92 0.00 0.00 0.00 179.25 179.22 1lfw h TYR 128 N 0.90 0.77 0.00 0.00 5.03 -0.66 -1.07 116.97 121.94 1lfw h TYR 128 Ca 0.14 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 1lfw h TYR 128 Cb 0.65 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 1lfw h TYR 128 CO 0.05 0.64 -0.34 1.88 -1.32 0.00 0.00 178.16 179.07 1lfw h TYR 129 N 0.68 0.00 -0.51 -3.82 -1.99 -0.43 0.22 116.97 111.11 1lfw h TYR 129 Ca 0.17 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 1lfw h TYR 129 Cb 0.20 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1lfw h TYR 129 CO 0.01 0.34 -0.04 0.78 -0.00 0.00 0.00 178.16 179.25 1lfw h GLY 130 N 1.02 1.00 1.25 3.88 0.00 -0.48 -0.13 103.07 109.61 1lfw h GLY 130 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.48 1lfw h GLY 130 CO 0.04 0.70 -0.01 1.98 0.00 0.00 0.00 176.54 179.26 1lfw h MET 131 N 0.79 0.91 -0.76 4.80 1.85 -0.26 -2.74 114.93 119.51 1lfw h MET 131 Ca 0.14 -0.27 -0.03 0.00 -0.61 0.00 0.00 59.70 58.93 1lfw h MET 131 Cb 0.57 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.47 1lfw h MET 131 CO 0.03 0.90 0.35 1.25 -0.40 0.00 0.00 176.91 179.05 1lfw h LEU 132 N 0.84 1.02 -0.53 3.39 5.85 -0.11 -0.39 115.31 125.36 1lfw h LEU 132 Ca 0.16 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1lfw h LEU 132 Cb 0.51 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1lfw h LEU 132 CO 0.03 0.88 0.24 -0.07 -0.34 0.00 0.00 178.44 179.18 1lfw h LEU 133 N 1.09 0.31 -0.54 2.25 3.38 -0.74 0.33 115.31 121.39 1lfw h LEU 133 Ca 0.26 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1lfw h LEU 133 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1lfw h LEU 133 CO -0.03 0.21 0.21 -0.07 0.09 0.00 0.00 178.44 178.85 1lfw h LEU 134 N 0.46 0.76 -0.58 1.67 3.38 -1.23 -0.78 115.31 118.99 1lfw h LEU 134 Ca 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1lfw h LEU 134 Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1lfw h LEU 134 CO -0.20 0.73 0.25 0.50 0.09 0.00 0.00 178.44 179.80 1lfw h LYS 135 N 0.74 0.86 0.00 1.13 3.11 -0.00 -0.65 116.57 121.76 1lfw h LYS 135 Ca 0.18 -0.15 -0.06 0.00 -2.81 0.00 0.00 60.65 57.81 1lfw h LYS 135 Cb 0.21 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1lfw h LYS 135 CO -0.01 0.73 -0.30 0.93 -2.81 0.00 0.00 179.45 177.99 1lfw h GLU 136 N 0.80 0.00 0.00 1.90 5.08 -0.16 -1.69 114.58 120.52 1lfw h GLU 136 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1lfw h GLU 136 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1lfw h GLU 136 CO -0.02 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 1lfw n ALA 137 N -2.29 2.17 -0.59 3.43 0.00 -0.32 -4.89 120.51 118.03 1lfw n ALA 137 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1lfw n ALA 137 Cb 0.44 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1lfw n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lfw n GLY 138 N 1.13 0.67 3.76 0.00 0.00 -0.63 -5.03 105.19 105.08 1lfw n GLY 138 Ca 0.06 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1lfw n GLY 138 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lfw s PHE 139 N -2.00 3.20 -0.40 1.61 5.36 -0.30 -4.99 117.98 120.47 1lfw s PHE 139 Ca 0.00 1.48 -0.00 0.00 -0.96 0.00 0.00 56.93 57.45 1lfw s PHE 139 Cb 0.00 -3.57 0.11 0.00 -0.34 0.00 0.00 43.02 39.22 1lfw s PHE 139 CO 0.00 -1.50 0.16 0.15 -1.46 0.00 0.00 175.22 172.57 1lfw s LYS 140 N -1.60 1.85 0.42 10.12 -0.14 -1.26 -4.62 119.74 124.50 1lfw s LYS 140 Ca 0.48 -1.89 -0.25 0.00 -1.36 0.00 0.00 55.97 52.94 1lfw s LYS 140 Cb -0.37 -3.46 -0.10 0.00 -1.68 0.00 0.00 37.83 32.22 1lfw s LYS 140 CO 0.49 -1.03 1.22 -2.30 -0.76 0.00 0.00 175.35 172.96 1lfw n PRO 141 N 4.39 1.81 -0.15 -1.68 -0.02 -1.26 -4.87 135.00 133.21 1lfw n PRO 141 Ca 0.01 0.64 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 1lfw n PRO 141 Cb 0.41 -2.31 0.28 0.00 -0.02 0.00 0.00 33.50 31.87 1lfw n PRO 141 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lfw n LYS 142 N 0.07 2.08 -4.25 -0.52 4.76 0.13 -2.68 118.16 117.76 1lfw n LYS 142 Ca 0.07 -1.64 -0.18 0.00 -2.87 0.00 0.00 58.31 53.69 1lfw n LYS 142 Cb 0.39 -1.43 -0.13 0.00 -1.84 0.00 0.00 35.03 32.03 1lfw n LYS 142 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1lfw s LYS 143 N -1.59 0.80 0.05 1.97 1.02 -0.71 -4.27 119.74 117.01 1lfw s LYS 143 Ca 0.34 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 1lfw s LYS 143 Cb 0.19 -0.77 -0.06 0.00 -0.52 0.00 0.00 37.83 36.67 1lfw s LYS 143 CO 0.27 0.18 1.25 0.21 -0.92 0.00 0.00 175.35 176.35 1lfw s LYS 144 N -1.26 4.39 -0.24 1.68 2.47 -0.05 -2.87 119.74 123.86 1lfw s LYS 144 Ca -0.01 1.84 -0.08 0.00 -1.56 0.00 0.00 55.97 56.15 1lfw s LYS 144 Cb -0.08 -3.37 -0.04 0.00 -1.46 0.00 0.00 37.83 32.88 1lfw s LYS 144 CO 0.01 -0.34 0.10 0.42 0.16 0.00 0.00 175.35 175.70 1lfw s ILE 145 N 1.31 4.68 -0.48 5.43 1.01 0.16 -0.12 121.20 133.19 1lfw s ILE 145 Ca 0.60 -0.05 -0.09 0.00 0.00 0.00 0.00 60.65 61.11 1lfw s ILE 145 Cb -0.31 -3.19 0.12 0.00 0.01 0.00 0.00 42.46 39.10 1lfw s ILE 145 CO 0.28 0.34 0.35 -1.81 0.00 0.00 0.00 174.94 174.10 1lfw s ASP 146 N 1.38 5.68 -0.55 3.58 -0.00 0.74 -2.35 116.67 125.15 1lfw s ASP 146 Ca 0.06 -1.97 -0.19 0.00 -0.00 0.00 0.00 52.55 50.45 1lfw s ASP 146 Cb -0.15 -2.00 0.08 0.00 -0.00 0.00 0.00 42.92 40.86 1lfw s ASP 146 CO 0.05 -0.67 0.67 0.12 -0.00 0.00 0.00 175.17 175.34 1lfw s PHE 147 N 1.28 3.01 -0.11 4.23 5.36 -0.61 -1.46 117.98 129.68 1lfw s PHE 147 Ca 0.06 -0.76 -0.04 0.00 -0.96 0.00 0.00 56.93 55.24 1lfw s PHE 147 Cb -0.26 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.59 1lfw s PHE 147 CO -0.01 -1.18 0.05 0.08 -1.46 0.00 0.00 175.22 172.69 1lfw s VAL 148 N 2.70 4.70 -0.20 3.12 1.01 0.32 -0.30 120.40 131.75 1lfw s VAL 148 Ca 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1lfw s VAL 148 Cb -0.22 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1lfw s VAL 148 CO 0.09 0.58 -0.15 -0.76 0.00 0.00 0.00 175.10 174.86 1lfw s LEU 149 N -0.69 2.40 0.53 3.92 1.43 0.26 -0.70 118.68 125.83 1lfw s LEU 149 Ca 0.12 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1lfw s LEU 149 Cb -0.12 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1lfw s LEU 149 CO 0.02 -0.02 0.76 -0.83 0.23 0.00 0.00 176.35 176.52 1lfw s GLY 150 N 1.33 1.72 -0.02 -3.19 0.00 0.09 -1.17 107.32 106.08 1lfw s GLY 150 Ca 0.05 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.62 1lfw s GLY 150 CO -0.10 -0.93 0.92 -1.30 0.00 0.00 0.00 173.10 171.69 1lfw n THR 151 N -2.30 0.87 -2.23 0.90 -2.24 -1.25 -0.78 114.28 107.26 1lfw n THR 151 Ca 0.06 -0.93 -0.03 0.00 -2.27 0.00 0.00 64.05 60.87 1lfw n THR 151 Cb 0.59 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1lfw n THR 151 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1lfw n ASN 152 N -0.52 -0.37 0.18 3.42 4.05 -1.26 -4.47 115.26 116.30 1lfw n ASN 152 Ca 0.03 -2.02 0.05 0.00 0.45 0.00 0.00 54.58 53.09 1lfw n ASN 152 Cb 0.39 0.13 0.49 0.00 1.23 0.00 0.00 39.78 42.02 1lfw n ASN 152 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1lfw h GLU 153 N 0.46 0.10 0.00 1.20 4.22 -1.91 0.13 114.58 118.79 1lfw h GLU 153 Ca -0.45 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1lfw h GLU 153 Cb 1.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1lfw h GLU 153 CO -0.15 0.22 0.00 0.39 -2.18 0.00 0.00 179.01 177.29 1lfw n GLU 154 N -4.35 0.01 0.00 1.92 -0.58 -1.26 -4.62 120.64 111.76 1lfw n GLU 154 Ca -0.02 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1lfw n GLU 154 Cb 0.22 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1lfw n GLU 154 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1lfw n THR 155 N -1.55 0.00 -0.47 2.62 -2.24 -0.96 -4.92 114.28 106.76 1lfw n THR 155 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 1lfw n THR 155 Cb 0.25 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.69 1lfw n THR 155 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lfw n ASN 156 N 0.00 3.36 -4.39 3.42 4.13 -1.13 -4.99 115.26 115.65 1lfw n ASN 156 Ca 0.00 -2.36 -0.38 0.00 1.68 0.00 0.00 54.58 53.52 1lfw n ASN 156 Cb 0.00 -0.36 -0.07 0.00 -1.54 0.00 0.00 39.78 37.81 1lfw n ASN 156 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1lfw n TRP 157 N 0.22 -1.33 -0.18 3.10 4.27 0.42 -4.85 117.44 119.09 1lfw n TRP 157 Ca 0.16 0.70 0.01 0.00 -3.89 0.00 0.00 57.50 54.47 1lfw n TRP 157 Cb 0.61 -2.42 0.27 0.00 -1.36 0.00 0.00 31.31 28.41 1lfw n TRP 157 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1lfw h VAL 158 N -1.27 1.18 -0.12 -1.67 2.07 -1.95 -1.30 116.25 113.20 1lfw h VAL 158 Ca -0.61 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1lfw h VAL 158 Cb 1.39 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1lfw h VAL 158 CO 0.81 0.18 -0.03 1.23 0.02 0.00 0.00 177.57 179.79 1lfw h GLY 159 N 0.95 0.24 1.76 2.17 0.00 -1.89 -1.67 103.07 104.64 1lfw h GLY 159 Ca 0.25 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1lfw h GLY 159 CO -0.05 0.19 -0.51 1.19 0.00 0.00 0.00 176.54 177.36 1lfw h ILE 160 N -0.10 1.35 -0.14 2.60 6.09 -1.79 -0.35 117.51 125.18 1lfw h ILE 160 Ca 0.03 -1.76 0.00 0.00 -1.37 0.00 0.00 64.86 61.76 1lfw h ILE 160 Cb 0.45 1.84 -0.01 0.00 0.47 0.00 0.00 36.82 39.57 1lfw h ILE 160 CO 0.01 0.52 0.08 -0.78 -3.07 0.00 0.00 178.15 174.92 1lfw h ASP 161 N 0.20 0.14 -0.42 2.19 1.82 -1.19 0.10 116.42 119.27 1lfw h ASP 161 Ca 0.01 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 1lfw h ASP 161 Cb 0.97 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.93 1lfw h ASP 161 CO 0.08 0.10 0.16 0.22 -1.61 0.00 0.00 179.24 178.19 1lfw h TYR 162 N 0.17 0.64 -0.22 0.28 5.03 -1.08 -2.32 116.97 119.46 1lfw h TYR 162 Ca 0.05 -0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.35 1lfw h TYR 162 Cb -0.01 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.04 1lfw h TYR 162 CO -0.08 0.57 -0.01 -0.92 -1.32 0.00 0.00 178.16 176.41 1lfw h TYR 163 N 0.53 -0.03 0.00 -3.82 3.20 -0.66 -1.53 116.97 114.66 1lfw h TYR 163 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1lfw h TYR 163 Cb 0.21 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1lfw h TYR 163 CO 0.00 -0.04 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.37 1lfw h LEU 164 N 0.06 0.00 0.00 2.82 3.38 -0.66 0.41 115.31 121.32 1lfw h LEU 164 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1lfw h LEU 164 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1lfw h LEU 164 CO -0.19 0.04 -0.30 0.29 0.09 0.00 0.00 178.44 178.38 1lfw n LYS 165 N -3.23 0.15 -0.00 1.13 5.02 -0.64 -4.14 118.16 116.44 1lfw n LYS 165 Ca -0.01 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1lfw n LYS 165 Cb 0.24 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 1lfw n LYS 165 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1lfw n HIS 166 N -1.86 0.00 -4.44 2.13 8.25 -0.66 -5.06 115.22 113.58 1lfw n HIS 166 Ca 0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 1lfw n HIS 166 Cb 0.39 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.32 1lfw n HIS 166 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1lfw s GLU 167 N -2.16 1.58 0.53 -0.41 0.41 0.14 -5.09 118.70 113.70 1lfw s GLU 167 Ca -0.01 -1.72 -0.22 0.00 -0.41 0.00 0.00 54.97 52.61 1lfw s GLU 167 Cb 0.02 -1.58 -0.05 0.00 -1.78 0.00 0.00 34.13 30.73 1lfw s GLU 167 CO 0.11 0.28 1.30 -2.14 -0.49 0.00 0.00 175.26 174.32 1lfw s PRO 168 N -3.55 3.27 0.06 0.39 0.02 -1.26 -4.55 135.00 129.38 1lfw s PRO 168 Ca 0.28 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 1lfw s PRO 168 Cb -0.04 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 1lfw s PRO 168 CO 0.13 -1.04 0.94 0.99 -0.33 0.00 0.00 177.00 177.69 1lfw s THR 169 N -1.39 4.66 0.63 0.99 2.01 -1.26 -4.97 115.64 116.31 1lfw s THR 169 Ca 0.70 2.00 -0.17 0.00 0.31 0.00 0.00 61.69 64.53 1lfw s THR 169 Cb -0.37 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 67.84 1lfw s THR 169 CO 0.43 0.27 1.17 -2.84 -0.69 0.00 0.00 174.62 172.96 1lfw s PRO 170 N 0.34 2.82 0.11 4.92 0.02 -1.26 -4.93 135.00 137.02 1lfw s PRO 170 Ca 0.47 1.67 -0.03 0.00 0.02 0.00 0.00 61.00 63.14 1lfw s PRO 170 Cb -0.22 -1.93 -0.16 0.00 0.02 0.00 0.00 34.50 32.21 1lfw s PRO 170 CO 0.28 -1.29 1.25 -0.44 -0.33 0.00 0.00 177.00 176.47 1lfw h ASP 171 N 0.49 0.41 -4.24 2.53 3.32 -1.50 -3.45 116.42 113.98 1lfw h ASP 171 Ca -0.49 -0.38 -0.29 0.00 0.02 0.00 0.00 57.03 55.89 1lfw h ASP 171 Cb 1.28 -0.13 -0.26 0.00 0.22 0.00 0.00 39.33 40.44 1lfw h ASP 171 CO 0.54 1.23 -0.74 0.27 -1.72 0.00 0.00 179.24 178.82 1lfw s ILE 172 N -2.99 0.40 -0.14 0.35 -4.36 -1.03 -4.91 121.20 108.53 1lfw s ILE 172 Ca -0.04 -0.53 -0.17 0.00 -0.26 0.00 0.00 60.65 59.65 1lfw s ILE 172 Cb 0.08 -0.40 0.04 0.00 1.25 0.00 0.00 42.46 43.44 1lfw s ILE 172 CO 0.86 -0.10 0.46 -0.69 0.24 0.00 0.00 174.94 175.71 1lfw s VAL 173 N -0.61 0.01 0.02 8.37 1.01 -1.26 -0.05 120.40 127.89 1lfw s VAL 173 Ca -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1lfw s VAL 173 Cb -0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1lfw s VAL 173 CO -0.00 -0.04 0.05 0.72 0.00 0.00 0.00 175.10 175.83 1lfw s PHE 174 N -0.12 0.20 -0.13 5.22 -0.12 -0.79 -2.47 117.98 119.76 1lfw s PHE 174 Ca -0.03 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.43 1lfw s PHE 174 Cb -0.03 -0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.22 1lfw s PHE 174 CO 0.02 -0.28 -0.19 0.45 -0.05 0.00 0.00 175.22 175.17 1lfw s SER 175 N -1.70 2.87 -1.31 1.98 0.15 0.04 -2.21 113.70 113.52 1lfw s SER 175 Ca -0.11 -0.54 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 1lfw s SER 175 Cb -0.06 -1.32 0.12 0.00 -1.71 0.00 0.00 66.02 63.05 1lfw s SER 175 CO -0.02 0.05 1.82 -0.81 1.20 0.00 0.00 173.24 175.48 1lfw n PRO 176 N 4.18 3.28 -2.26 5.44 -0.04 -1.26 -0.63 135.00 143.71 1lfw n PRO 176 Ca -0.20 -3.33 -0.01 0.00 -0.04 0.00 0.00 63.50 59.92 1lfw n PRO 176 Cb 0.51 -3.18 0.05 0.00 -0.04 0.00 0.00 33.50 30.85 1lfw n PRO 176 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1lfw n ASP 177 N 5.92 0.02 0.00 3.54 4.64 -1.24 -4.05 116.55 125.37 1lfw n ASP 177 Ca 0.44 -2.08 0.00 0.00 -1.38 0.00 0.00 54.79 51.77 1lfw n ASP 177 Cb 0.41 0.08 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 1lfw n ASP 177 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1lfw n ALA 178 N -0.65 0.00 -2.47 -1.67 0.00 -0.81 -4.92 120.51 109.99 1lfw n ALA 178 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1lfw n ALA 178 Cb 0.87 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.24 1lfw n ALA 178 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1lfw s GLU 179 N 3.50 1.53 0.47 0.00 -1.05 -1.20 -2.19 118.70 119.75 1lfw s GLU 179 Ca 0.00 -1.71 0.01 0.00 -0.15 0.00 0.00 54.97 53.11 1lfw s GLU 179 Cb 0.00 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 1lfw s GLU 179 CO 0.00 -0.57 0.69 0.71 0.95 0.00 0.00 175.26 177.05 1lfw s TYR 180 N -3.75 3.13 0.03 4.83 1.51 -0.24 -2.01 117.35 120.85 1lfw s TYR 180 Ca 0.36 0.16 -0.24 0.00 -1.01 0.00 0.00 57.07 56.34 1lfw s TYR 180 Cb 0.03 -2.42 -0.17 0.00 -0.11 0.00 0.00 41.96 39.29 1lfw s TYR 180 CO 0.18 -0.48 1.46 -1.35 -1.11 0.00 0.00 175.55 174.24 1lfw h PRO 181 N 0.32 0.05 -1.80 -1.71 0.11 -1.88 -3.32 132.00 123.77 1lfw h PRO 181 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1lfw h PRO 181 Cb 1.26 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 32.16 1lfw h PRO 181 CO 0.56 0.34 0.34 -1.50 -0.21 0.00 0.00 178.00 177.53 1lfw s ILE 182 N -5.00 0.00 -0.40 4.15 2.07 -1.26 -4.44 121.20 116.33 1lfw s ILE 182 Ca -0.15 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1lfw s ILE 182 Cb 0.04 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.73 1lfw s ILE 182 CO 0.68 0.00 0.20 -0.63 -1.91 0.00 0.00 174.94 173.28 1lfw s ILE 183 N -0.92 3.37 -2.33 2.00 -1.09 -0.05 -2.59 121.20 119.58 1lfw s ILE 183 Ca -0.06 -1.95 0.21 0.00 -2.23 0.00 0.00 60.65 56.63 1lfw s ILE 183 Cb -0.01 -3.26 0.33 0.00 -1.58 0.00 0.00 42.46 37.94 1lfw s ILE 183 CO 0.05 -0.64 1.30 -0.46 -1.23 0.00 0.00 174.94 173.96 1lfw n ASN 184 N 4.63 3.18 -3.80 3.58 6.94 -0.76 -1.54 115.26 127.50 1lfw n ASN 184 Ca -0.04 -1.94 -0.12 0.00 -0.02 0.00 0.00 54.58 52.46 1lfw n ASN 184 Cb 0.42 -0.18 -0.11 0.00 -2.36 0.00 0.00 39.78 37.55 1lfw n ASN 184 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1lfw s GLY 185 N -1.48 -0.14 -0.04 4.83 0.00 -1.18 -0.09 107.32 109.22 1lfw s GLY 185 Ca 0.33 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1lfw s GLY 185 CO 0.28 0.37 -0.03 -0.54 0.00 0.00 0.00 173.10 173.18 1lfw s GLU 186 N -0.36 0.70 0.88 2.90 0.41 0.59 -1.84 118.70 121.98 1lfw s GLU 186 Ca -0.05 -0.06 -0.11 0.00 -0.41 0.00 0.00 54.97 54.34 1lfw s GLU 186 Cb -0.03 -0.74 0.12 0.00 -1.78 0.00 0.00 34.13 31.69 1lfw s GLU 186 CO 0.01 -0.09 1.09 -0.65 -0.49 0.00 0.00 175.26 175.14 1lfw s GLN 187 N 0.91 1.40 0.81 1.61 -0.21 -0.28 -0.45 119.66 123.46 1lfw s GLN 187 Ca -0.11 0.96 -0.11 0.00 0.02 0.00 0.00 55.36 56.11 1lfw s GLN 187 Cb -0.14 -1.82 0.08 0.00 1.00 0.00 0.00 33.01 32.13 1lfw s GLN 187 CO -0.00 -2.18 1.09 0.20 -2.12 0.00 0.00 175.29 172.28 1lfw s GLY 188 N -3.33 1.65 -0.02 3.09 0.00 0.25 -4.58 107.32 104.37 1lfw s GLY 188 Ca 0.63 0.08 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1lfw s GLY 188 CO 0.57 0.48 -0.02 -0.42 0.00 0.00 0.00 173.10 173.71 1lfw s ILE 189 N -2.96 0.26 0.27 0.90 1.01 0.50 -0.46 121.20 120.72 1lfw s ILE 189 Ca 0.62 -0.01 -0.21 0.00 0.00 0.00 0.00 60.65 61.04 1lfw s ILE 189 Cb -0.17 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.02 1lfw s ILE 189 CO 0.56 0.14 0.70 0.72 0.00 0.00 0.00 174.94 177.06 1lfw s PHE 190 N 0.70 -0.20 -0.12 3.97 -0.00 -0.72 -1.01 117.98 120.61 1lfw s PHE 190 Ca -0.07 -0.23 0.01 0.00 -0.00 0.00 0.00 56.93 56.63 1lfw s PHE 190 Cb -0.11 0.67 0.02 0.00 -0.00 0.00 0.00 43.02 43.60 1lfw s PHE 190 CO -0.01 -1.19 -0.13 0.99 -0.00 0.00 0.00 175.22 174.88 1lfw s THR 191 N -3.91 1.36 0.05 -4.49 2.01 -1.26 -0.44 115.64 108.95 1lfw s THR 191 Ca 0.10 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1lfw s THR 191 Cb -0.05 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1lfw s THR 191 CO 0.05 0.42 1.01 -0.76 -0.69 0.00 0.00 174.62 174.65 1lfw s LEU 192 N 1.26 4.41 -0.34 4.42 1.43 0.35 -4.43 118.68 125.78 1lfw s LEU 192 Ca -0.02 1.76 -0.06 0.00 -1.03 0.00 0.00 54.13 54.79 1lfw s LEU 192 Cb -0.14 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.55 1lfw s LEU 192 CO -0.05 -0.23 0.11 -1.61 0.23 0.00 0.00 176.35 174.80 1lfw s GLU 193 N 0.67 2.57 0.01 1.70 2.02 0.79 -0.84 118.70 125.62 1lfw s GLU 193 Ca 0.51 -1.24 -0.09 0.00 0.02 0.00 0.00 54.97 54.18 1lfw s GLU 193 Cb -0.23 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 1lfw s GLU 193 CO 0.29 -0.70 0.31 -0.06 0.02 0.00 0.00 175.26 175.12 1lfw s PHE 194 N 1.38 3.61 -0.13 1.61 0.40 0.91 -1.63 117.98 124.13 1lfw s PHE 194 Ca -0.01 0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 56.99 1lfw s PHE 194 Cb -0.20 -2.08 0.04 0.00 0.51 0.00 0.00 43.02 41.30 1lfw s PHE 194 CO 0.02 0.61 0.03 -1.54 0.70 0.00 0.00 175.22 175.04 1lfw s SER 195 N -1.52 2.12 0.15 1.36 1.04 0.12 -2.19 113.70 114.78 1lfw s SER 195 Ca 0.27 -0.40 -0.30 0.00 0.48 0.00 0.00 55.95 55.99 1lfw s SER 195 Cb -0.14 -0.45 -0.07 0.00 0.10 0.00 0.00 66.02 65.47 1lfw s SER 195 CO 0.15 -0.26 0.96 -0.36 0.98 0.00 0.00 173.24 174.70 1lfw s PHE 196 N 1.97 3.86 0.49 5.02 0.08 -0.56 -0.09 117.98 128.75 1lfw s PHE 196 Ca 0.03 1.83 -0.22 0.00 0.12 0.00 0.00 56.93 58.69 1lfw s PHE 196 Cb -0.14 -3.04 -0.07 0.00 -0.57 0.00 0.00 43.02 39.20 1lfw s PHE 196 CO -0.07 0.27 1.19 0.15 -0.10 0.00 0.00 175.22 176.66 1lfw s LYS 197 N -0.35 3.58 0.43 0.44 1.02 -0.17 -4.77 119.74 119.92 1lfw s LYS 197 Ca 0.45 1.82 -0.25 0.00 0.02 0.00 0.00 55.97 58.01 1lfw s LYS 197 Cb -0.24 -2.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.68 1lfw s LYS 197 CO 0.31 -0.72 1.26 -0.80 -0.92 0.00 0.00 175.35 174.48 1lfw s ASN 198 N -1.37 6.21 -0.29 2.83 0.01 -1.26 -4.65 114.94 116.42 1lfw s ASN 198 Ca 0.67 2.55 0.02 0.00 -0.71 0.00 0.00 52.86 55.39 1lfw s ASN 198 Cb -0.30 -2.63 0.20 0.00 0.41 0.00 0.00 41.25 38.93 1lfw s ASN 198 CO 0.35 -0.91 0.70 -0.62 -1.51 0.00 0.00 177.10 175.12 1lfw s ASP 199 N -0.94 -1.34 0.00 -1.22 -1.08 -1.26 -4.89 116.67 105.95 1lfw s ASP 199 Ca 0.60 0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.99 1lfw s ASP 199 Cb -0.35 1.84 1.12 0.00 -1.46 0.00 0.00 42.92 44.07 1lfw s ASP 199 CO 0.44 -0.24 1.69 -0.67 0.52 0.00 0.00 175.17 176.91 1lfw n ASP 200 N 5.33 0.00 -4.65 -0.34 4.64 -1.26 -1.61 116.55 118.66 1lfw n ASP 200 Ca 0.06 -0.13 -0.59 0.00 -1.38 0.00 0.00 54.79 52.75 1lfw n ASP 200 Cb 0.55 -0.24 -0.08 0.00 -1.04 0.00 0.00 41.12 40.31 1lfw n ASP 200 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1lfw n THR 201 N -1.24 0.09 -3.04 5.18 -1.04 -1.26 -4.90 114.28 108.07 1lfw n THR 201 Ca 0.11 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.77 1lfw n THR 201 Cb 0.16 -0.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.92 1lfw n THR 201 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1lfw s LYS 202 N 1.92 4.11 0.33 -2.82 3.01 -1.26 -3.23 119.74 121.80 1lfw s LYS 202 Ca 0.95 0.83 0.06 0.00 -1.01 0.00 0.00 55.97 56.80 1lfw s LYS 202 Cb -1.20 -2.42 -0.03 0.00 -1.01 0.00 0.00 37.83 33.17 1lfw s LYS 202 CO 0.63 0.13 0.23 0.20 0.51 0.00 0.00 175.35 177.06 1lfw s GLY 203 N -2.17 2.31 0.27 -3.33 0.00 -1.26 -4.78 107.32 98.36 1lfw s GLY 203 Ca 0.55 -1.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 1lfw s GLY 203 CO 0.17 -1.54 1.83 -0.55 0.00 0.00 0.00 173.10 173.00 1lfw h ASP 204 N 2.11 0.86 -3.43 1.64 3.45 -1.60 -3.43 116.42 116.02 1lfw h ASP 204 Ca -0.28 -0.14 -0.66 0.00 0.43 0.00 0.00 57.03 56.39 1lfw h ASP 204 Cb 1.24 -0.22 -0.15 0.00 -0.56 0.00 0.00 39.33 39.63 1lfw h ASP 204 CO 0.42 0.80 -0.74 -0.31 -1.57 0.00 0.00 179.24 177.84 1lfw s TYR 205 N -5.35 2.70 -0.07 4.55 1.51 -0.72 -4.39 117.35 115.59 1lfw s TYR 205 Ca -0.10 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1lfw s TYR 205 Cb 0.16 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1lfw s TYR 205 CO 0.81 0.44 -0.19 0.08 -1.11 0.00 0.00 175.55 175.59 1lfw s VAL 206 N -1.33 1.61 -0.85 0.71 1.01 0.13 -4.13 120.40 117.56 1lfw s VAL 206 Ca 0.22 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1lfw s VAL 206 Cb -0.10 -1.41 0.14 0.00 0.00 0.00 0.00 36.38 35.01 1lfw s VAL 206 CO 0.14 0.46 0.98 -0.22 0.00 0.00 0.00 175.10 176.46 1lfw s LEU 207 N 0.31 5.45 0.16 3.92 2.96 -1.26 -1.16 118.68 129.06 1lfw s LEU 207 Ca -0.12 -2.05 -0.14 0.00 -0.22 0.00 0.00 54.13 51.60 1lfw s LEU 207 Cb -0.15 -2.34 0.05 0.00 0.50 0.00 0.00 46.19 44.24 1lfw s LEU 207 CO 0.05 -0.98 1.75 0.44 -1.32 0.00 0.00 176.35 176.29 1lfw h ASP 208 N 8.68 0.66 -4.91 3.68 3.45 -1.36 -3.14 116.42 123.48 1lfw h ASP 208 Ca 0.06 -0.12 -0.09 0.00 0.43 0.00 0.00 57.03 57.32 1lfw h ASP 208 Cb 1.04 -0.17 -0.20 0.00 -0.56 0.00 0.00 39.33 39.44 1lfw h ASP 208 CO 1.03 0.59 -0.02 -0.75 -1.57 0.00 0.00 179.24 178.52 1lfw s LYS 209 N -5.76 0.87 -0.24 3.56 2.20 -0.86 -1.54 119.74 117.97 1lfw s LYS 209 Ca -0.13 0.12 -0.03 0.00 -0.36 0.00 0.00 55.97 55.57 1lfw s LYS 209 Cb 0.12 0.40 0.13 0.00 -1.51 0.00 0.00 37.83 36.97 1lfw s LYS 209 CO 0.76 -0.25 0.40 0.12 -0.36 0.00 0.00 175.35 176.03 1lfw s PHE 210 N -1.12 -0.88 -0.01 4.03 5.36 -0.13 -0.56 117.98 124.66 1lfw s PHE 210 Ca -0.11 1.05 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 1lfw s PHE 210 Cb -0.02 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 1lfw s PHE 210 CO 0.07 -0.68 -0.02 0.15 -1.46 0.00 0.00 175.22 173.27 1lfw s LYS 211 N 2.59 0.28 -0.09 10.12 -0.14 0.16 -0.65 119.74 132.00 1lfw s LYS 211 Ca 0.10 -0.06 -0.31 0.00 -1.36 0.00 0.00 55.97 54.34 1lfw s LYS 211 Cb -0.15 -0.32 0.09 0.00 -1.68 0.00 0.00 37.83 35.78 1lfw s LYS 211 CO -0.16 0.01 0.81 0.00 -0.76 0.00 0.00 175.35 175.26 1lfw s ALA 212 N 0.22 -1.84 0.00 5.17 0.00 -0.72 -1.53 121.76 123.07 1lfw s ALA 212 Ca -0.02 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1lfw s ALA 212 Cb -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1lfw s ALA 212 CO -0.01 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1lfw n GLY 213 N 0.81 3.99 0.05 0.00 0.00 -1.26 -0.43 105.19 108.34 1lfw n GLY 213 Ca -0.15 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 1lfw n GLY 213 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lfw n ILE 214 N 0.00 0.62 -3.50 -0.61 2.08 -1.26 -4.97 119.36 111.71 1lfw n ILE 214 Ca 0.00 -0.38 -0.09 0.00 0.56 0.00 0.00 62.75 62.84 1lfw n ILE 214 Cb 0.00 -0.77 -0.02 0.00 -0.75 0.00 0.00 39.64 38.10 1lfw n ILE 214 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1lfw s ALA 215 N -2.22 -1.82 0.34 -1.39 0.00 -1.26 -4.81 121.76 110.61 1lfw s ALA 215 Ca -0.05 1.04 0.33 0.00 0.00 0.00 0.00 51.96 53.28 1lfw s ALA 215 Cb 0.03 0.32 1.57 0.00 0.00 0.00 0.00 23.12 25.05 1lfw s ALA 215 CO 0.37 -0.64 2.08 1.79 0.00 0.00 0.00 175.76 179.35 1lfw h THR 216 N 2.09 0.27 -0.82 0.00 1.35 -1.95 -3.10 112.91 110.75 1lfw h THR 216 Ca -0.23 -0.48 -0.44 0.00 -0.55 0.00 0.00 66.41 64.71 1lfw h THR 216 Cb 1.24 1.37 -0.26 0.00 -1.73 0.00 0.00 68.15 68.77 1lfw h THR 216 CO 0.32 0.07 0.45 -0.46 -0.25 0.00 0.00 175.52 175.64 1lfw n ASN 217 N -3.33 3.72 -3.71 5.36 6.94 -1.26 -4.47 115.26 118.50 1lfw n ASN 217 Ca -0.01 -3.68 -0.12 0.00 -0.02 0.00 0.00 54.58 50.75 1lfw n ASN 217 Cb 0.24 -0.79 -0.10 0.00 -2.36 0.00 0.00 39.78 36.78 1lfw n ASN 217 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1lfw s VAL 218 N -3.43 -0.01 0.54 3.53 0.11 -1.17 -1.22 120.40 118.75 1lfw s VAL 218 Ca 0.54 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 59.49 1lfw s VAL 218 Cb 0.46 -0.62 -0.06 0.00 -1.53 0.00 0.00 36.38 34.63 1lfw s VAL 218 CO 0.07 0.01 0.98 0.42 -3.33 0.00 0.00 175.10 173.25 1lfw s THR 219 N 0.71 4.63 -0.01 5.04 -4.23 0.32 -4.50 115.64 117.59 1lfw s THR 219 Ca -0.04 1.02 -0.30 0.00 -1.18 0.00 0.00 61.69 61.19 1lfw s THR 219 Cb -0.05 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1lfw s THR 219 CO -0.05 -0.83 1.18 -2.16 -0.54 0.00 0.00 174.62 172.21 1lfw s PRO 220 N -4.44 4.40 0.13 3.99 0.04 -1.26 -3.65 135.00 134.20 1lfw s PRO 220 Ca 0.57 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1lfw s PRO 220 Cb -0.10 -3.47 -0.07 0.00 0.04 0.00 0.00 34.50 30.90 1lfw s PRO 220 CO 0.39 -0.34 1.44 0.37 0.04 0.00 0.00 177.00 178.90 1lfw h GLN 221 N 7.16 0.86 -5.11 4.56 5.75 -1.89 -2.77 115.11 123.67 1lfw h GLN 221 Ca -0.37 -0.48 -0.42 0.00 -0.15 0.00 0.00 58.65 57.22 1lfw h GLN 221 Cb 1.19 0.03 -0.26 0.00 1.07 0.00 0.00 27.48 29.51 1lfw h GLN 221 CO 0.84 1.12 -0.79 0.08 -2.65 0.00 0.00 178.83 177.44 1lfw s VAL 222 N -4.30 0.97 -0.01 2.39 1.01 -1.26 0.34 120.40 119.53 1lfw s VAL 222 Ca -0.11 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1lfw s VAL 222 Cb 0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1lfw s VAL 222 CO 0.87 0.07 -0.17 -0.89 0.00 0.00 0.00 175.10 174.98 1lfw s THR 223 N -0.66 1.32 -0.04 3.92 2.01 -0.44 -4.39 115.64 117.35 1lfw s THR 223 Ca 0.02 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1lfw s THR 223 Cb -0.07 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.34 1lfw s THR 223 CO 0.01 0.37 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.99 1lfw s ARG 224 N -0.41 1.88 0.03 4.92 0.52 -0.58 -0.97 118.95 124.33 1lfw s ARG 224 Ca 0.06 -0.65 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1lfw s ARG 224 Cb -0.06 -1.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 1lfw s ARG 224 CO -0.01 0.27 0.08 0.00 0.02 0.00 0.00 175.30 175.66 1lfw s ALA 225 N -0.01 -0.05 -0.09 2.13 0.00 0.04 -0.66 121.76 123.12 1lfw s ALA 225 Ca -0.03 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1lfw s ALA 225 Cb -0.12 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1lfw s ALA 225 CO 0.02 -0.27 -0.13 0.99 0.00 0.00 0.00 175.76 176.37 1lfw s THR 226 N -2.25 1.30 0.27 0.00 2.01 0.27 0.60 115.64 117.84 1lfw s THR 226 Ca -0.08 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1lfw s THR 226 Cb -0.03 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 1lfw s THR 226 CO -0.03 0.40 -0.11 0.27 -0.69 0.00 0.00 174.62 174.45 1lfw s ILE 227 N 0.91 1.93 -0.01 1.82 -4.36 -0.46 -0.91 121.20 120.12 1lfw s ILE 227 Ca -0.09 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 58.10 1lfw s ILE 227 Cb -0.15 -2.36 -0.00 0.00 1.25 0.00 0.00 42.46 41.20 1lfw s ILE 227 CO 0.00 -0.37 -0.06 -0.44 0.24 0.00 0.00 174.94 174.32 1lfw s SER 228 N -3.46 0.68 0.00 4.36 0.01 -0.31 -0.67 113.70 114.32 1lfw s SER 228 Ca 0.28 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1lfw s SER 228 Cb 0.01 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1lfw s SER 228 CO 0.12 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1lfw n GLY 229 N 3.01 -2.43 3.94 3.44 0.00 -0.71 -0.69 105.19 111.75 1lfw n GLY 229 Ca -0.14 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 1lfw n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lfw s PRO 230 N -1.94 1.88 -1.59 1.61 0.04 -1.26 -4.51 135.00 129.22 1lfw s PRO 230 Ca 0.00 -0.46 -0.05 0.00 0.04 0.00 0.00 61.00 60.54 1lfw s PRO 230 Cb 0.00 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1lfw s PRO 230 CO 0.00 -1.43 0.20 -0.25 0.04 0.00 0.00 177.00 175.56 1lfw n ASP 231 N -3.01 0.10 0.23 6.66 8.00 -1.26 -4.84 116.55 122.43 1lfw n ASP 231 Ca 0.10 -1.22 0.08 0.00 0.71 0.00 0.00 54.79 54.46 1lfw n ASP 231 Cb 0.60 -1.87 0.54 0.00 -0.02 0.00 0.00 41.12 40.37 1lfw n ASP 231 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1lfw h LEU 232 N -1.63 0.00 -0.93 0.64 3.38 -1.93 -1.66 115.31 113.18 1lfw h LEU 232 Ca -0.64 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 1lfw h LEU 232 Cb 1.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1lfw h LEU 232 CO 0.73 0.23 -0.04 -0.33 0.09 0.00 0.00 178.44 179.12 1lfw h GLU 233 N 0.00 0.74 -0.14 1.13 4.39 -1.98 0.28 114.58 119.00 1lfw h GLU 233 Ca -0.00 -0.21 -0.18 0.00 0.34 0.00 0.00 59.36 59.31 1lfw h GLU 233 Cb 0.50 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1lfw h GLU 233 CO 0.03 0.78 -0.66 0.00 -1.16 0.00 0.00 179.01 177.99 1lfw h ALA 234 N 1.27 0.58 -0.57 3.43 0.00 -1.78 -1.88 119.26 120.31 1lfw h ALA 234 Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1lfw h ALA 234 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1lfw h ALA 234 CO 0.02 0.72 -0.00 0.28 0.00 0.00 0.00 179.25 180.27 1lfw h VAL 235 N 0.40 1.26 -0.67 0.00 2.07 -0.64 -1.48 116.25 117.19 1lfw h VAL 235 Ca -0.02 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1lfw h VAL 235 Cb 1.23 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1lfw h VAL 235 CO 0.12 0.41 0.41 0.50 0.02 0.00 0.00 177.57 179.03 1lfw h LYS 236 N 0.89 0.91 -0.69 1.57 3.64 -0.34 0.29 116.57 122.83 1lfw h LYS 236 Ca 0.16 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1lfw h LYS 236 Cb 0.55 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1lfw h LYS 236 CO 0.03 0.64 0.40 1.25 -2.27 0.00 0.00 179.45 179.50 1lfw h LEU 237 N 0.91 0.84 -0.69 5.20 5.85 -1.02 -0.51 115.31 125.90 1lfw h LEU 237 Ca 0.24 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1lfw h LEU 237 Cb -0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1lfw h LEU 237 CO -0.05 0.67 0.04 0.00 -0.34 0.00 0.00 178.44 178.77 1lfw h ALA 238 N 1.21 0.90 -0.44 1.25 0.00 -0.63 -2.12 119.26 119.43 1lfw h ALA 238 Ca 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1lfw h ALA 238 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1lfw h ALA 238 CO -0.04 0.66 0.21 -0.92 0.00 0.00 0.00 179.25 179.16 1lfw h TYR 239 N 0.98 0.63 -0.82 0.00 3.20 0.15 0.10 116.97 121.21 1lfw h TYR 239 Ca 0.18 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1lfw h TYR 239 Cb 0.50 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1lfw h TYR 239 CO 0.03 0.51 0.45 0.93 -1.64 0.00 0.00 178.16 178.44 1lfw h GLU 240 N 0.57 1.13 -0.52 1.82 4.39 -0.91 0.82 114.58 121.88 1lfw h GLU 240 Ca 0.15 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1lfw h GLU 240 Cb 0.11 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1lfw h GLU 240 CO -0.02 0.83 -0.12 1.03 -1.16 0.00 0.00 179.01 179.57 1lfw h SER 241 N 1.14 1.00 -0.30 1.42 0.87 -1.01 -1.19 113.55 115.49 1lfw h SER 241 Ca 0.29 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1lfw h SER 241 Cb 0.03 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1lfw h SER 241 CO -0.05 1.13 0.17 0.15 -0.53 0.00 0.00 176.83 177.70 1lfw h PHE 242 N 0.86 0.40 -0.33 2.24 3.57 -0.03 0.38 116.94 124.04 1lfw h PHE 242 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1lfw h PHE 242 Cb 0.69 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1lfw h PHE 242 CO 0.05 0.31 0.15 -0.07 -2.23 0.00 0.00 178.31 176.52 1lfw h LEU 243 N 0.37 0.43 -0.61 0.59 3.38 -0.73 -0.50 115.31 118.25 1lfw h LEU 243 Ca 0.11 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1lfw h LEU 243 Cb 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1lfw h LEU 243 CO -0.02 0.45 0.39 0.00 0.09 0.00 0.00 178.44 179.35 1lfw h ALA 244 N 1.01 0.78 -0.44 1.53 0.00 -0.93 0.19 119.26 121.39 1lfw h ALA 244 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lfw h ALA 244 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1lfw h ALA 244 CO -0.01 0.16 0.19 0.22 0.00 0.00 0.00 179.25 179.81 1lfw h ASP 245 N 0.79 0.59 0.13 0.00 -0.00 -0.65 -2.71 116.42 114.57 1lfw h ASP 245 Ca 0.24 -0.15 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1lfw h ASP 245 Cb -0.04 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 39.14 1lfw h ASP 245 CO -0.07 0.58 -0.04 0.29 -0.00 0.00 0.00 179.24 180.00 1lfw n LYS 246 N -4.63 1.06 -3.44 0.28 4.76 -0.22 -4.92 118.16 111.04 1lfw n LYS 246 Ca 0.01 -0.33 -0.19 0.00 -2.87 0.00 0.00 58.31 54.93 1lfw n LYS 246 Cb 0.13 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 31.91 1lfw n LYS 246 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1lfw n GLU 247 N -0.68 -6.86 -4.05 1.97 1.02 0.43 -5.01 120.64 107.45 1lfw n GLU 247 Ca 0.19 0.81 -0.26 0.00 -0.02 0.00 0.00 57.16 57.88 1lfw n GLU 247 Cb 0.23 -5.75 -0.04 0.00 -0.02 0.00 0.00 31.44 25.87 1lfw n GLU 247 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1lfw n LEU 248 N -4.31 0.00 -4.28 -4.62 4.77 0.07 -5.03 117.00 103.59 1lfw n LEU 248 Ca -0.17 -2.68 -0.16 0.00 -0.03 0.00 0.00 56.01 52.96 1lfw n LEU 248 Cb 0.62 0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.81 1lfw n LEU 248 CO 0.60 -0.45 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.37 1lfw s ASP 249 N -3.57 1.01 0.00 -1.43 -1.08 -1.05 -4.51 116.67 106.03 1lfw s ASP 249 Ca 0.10 -1.47 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 1lfw s ASP 249 Cb -0.01 0.34 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 1lfw s ASP 249 CO 0.06 -0.85 0.00 0.61 0.52 0.00 0.00 175.17 175.51 1lfw n GLY 250 N -0.45 -0.90 3.31 2.66 0.00 -1.26 -0.17 105.19 108.38 1lfw n GLY 250 Ca 0.02 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1lfw n GLY 250 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lfw s SER 251 N -4.00 -0.12 -0.23 1.61 1.04 -0.07 -4.97 113.70 106.97 1lfw s SER 251 Ca 0.00 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 1lfw s SER 251 Cb 0.00 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.67 1lfw s SER 251 CO 0.00 -0.85 0.23 0.12 0.98 0.00 0.00 173.24 173.72 1lfw s PHE 252 N -3.84 -0.24 -0.28 5.02 5.36 -1.26 -0.91 117.98 121.82 1lfw s PHE 252 Ca 0.06 -0.00 -0.07 0.00 -0.96 0.00 0.00 56.93 55.96 1lfw s PHE 252 Cb 0.02 -0.45 -0.00 0.00 -0.34 0.00 0.00 43.02 42.25 1lfw s PHE 252 CO -0.09 -0.70 0.08 -1.21 -1.46 0.00 0.00 175.22 171.83 1lfw s GLU 253 N 2.31 3.26 0.02 10.12 0.41 -0.07 -4.96 118.70 129.79 1lfw s GLU 253 Ca 0.08 -0.74 -0.23 0.00 -0.41 0.00 0.00 54.97 53.66 1lfw s GLU 253 Cb -0.15 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.79 1lfw s GLU 253 CO -0.19 -0.37 0.69 0.42 -0.49 0.00 0.00 175.26 175.32 1lfw s ILE 254 N 1.53 4.81 -0.53 -1.63 1.01 -1.26 -0.79 121.20 124.34 1lfw s ILE 254 Ca 0.04 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.20 1lfw s ILE 254 Cb -0.16 -4.04 0.18 0.00 0.01 0.00 0.00 42.46 38.45 1lfw s ILE 254 CO 0.03 0.38 0.43 0.59 0.00 0.00 0.00 174.94 176.37 1lfw n ASN 255 N 2.79 1.08 0.00 3.58 3.02 0.23 -4.97 115.26 120.99 1lfw n ASN 255 Ca -0.04 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 1lfw n ASN 255 Cb 0.51 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1lfw n ASN 255 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1lfw n ASP 256 N 2.29 0.00 0.16 6.41 8.00 -1.26 -1.46 116.55 130.69 1lfw n ASP 256 Ca 0.26 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.89 1lfw n ASP 256 Cb 0.43 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.90 1lfw n ASP 256 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1lfw h GLU 257 N 0.00 0.00 -5.42 -1.24 4.57 -1.96 -3.47 114.58 107.06 1lfw h GLU 257 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1lfw h GLU 257 Cb 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.45 1lfw h GLU 257 CO 0.00 0.00 -0.62 -1.54 -1.18 0.00 0.00 179.01 175.67 1lfw s SER 258 N -5.14 2.93 -0.08 1.04 1.04 -0.54 -1.75 113.70 111.21 1lfw s SER 258 Ca 0.08 -1.34 -0.07 0.00 0.48 0.00 0.00 55.95 55.10 1lfw s SER 258 Cb 0.09 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1lfw s SER 258 CO 0.59 -0.51 0.22 0.00 0.98 0.00 0.00 173.24 174.52 1lfw s ALA 259 N -3.05 -0.52 -0.24 5.32 0.00 0.15 0.75 121.76 124.16 1lfw s ALA 259 Ca 0.35 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1lfw s ALA 259 Cb 0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1lfw s ALA 259 CO 0.16 -0.11 0.24 -0.51 0.00 0.00 0.00 175.76 175.53 1lfw s ASP 260 N 0.27 6.17 -0.04 0.00 -0.00 0.03 -1.36 116.67 121.75 1lfw s ASP 260 Ca -0.01 0.18 0.05 0.00 -0.00 0.00 0.00 52.55 52.77 1lfw s ASP 260 Cb -0.03 -2.14 -0.02 0.00 -0.00 0.00 0.00 42.92 40.72 1lfw s ASP 260 CO -0.01 -0.01 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.33 1lfw s ILE 261 N 1.37 2.72 -0.05 0.77 1.01 0.20 -0.89 121.20 126.32 1lfw s ILE 261 Ca 0.10 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1lfw s ILE 261 Cb -0.14 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1lfw s ILE 261 CO 0.07 0.58 -0.11 -0.69 0.00 0.00 0.00 174.94 174.79 1lfw s VAL 262 N -0.70 1.02 -0.11 2.92 1.01 -0.09 -0.78 120.40 123.68 1lfw s VAL 262 Ca 0.11 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1lfw s VAL 262 Cb -0.10 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1lfw s VAL 262 CO 0.00 0.32 -0.13 -0.22 0.00 0.00 0.00 175.10 175.08 1lfw s LEU 263 N 0.58 1.57 -0.26 3.92 0.20 -0.15 -0.89 118.68 123.66 1lfw s LEU 263 Ca -0.12 -0.39 -0.08 0.00 0.69 0.00 0.00 54.13 54.23 1lfw s LEU 263 Cb -0.14 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.57 1lfw s LEU 263 CO 0.03 -0.03 0.09 -0.63 -0.29 0.00 0.00 176.35 175.52 1lfw s ILE 264 N 1.22 4.48 0.00 6.68 1.01 0.76 -1.33 121.20 134.01 1lfw s ILE 264 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1lfw s ILE 264 Cb -0.14 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1lfw s ILE 264 CO -0.04 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1lfw n GLY 265 N 4.95 3.55 2.79 6.18 0.00 0.15 -2.52 105.19 120.30 1lfw n GLY 265 Ca -0.16 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1lfw n GLY 265 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lfw s GLN 266 N 4.44 0.18 0.53 1.61 0.74 -0.11 -4.86 119.66 122.19 1lfw s GLN 266 Ca 0.00 0.31 -0.20 0.00 0.05 0.00 0.00 55.36 55.52 1lfw s GLN 266 Cb 0.00 -0.96 -0.06 0.00 1.10 0.00 0.00 33.01 33.09 1lfw s GLN 266 CO 0.00 -0.58 1.14 0.20 -0.55 0.00 0.00 175.29 175.50 1lfw s GLY 267 N 2.34 2.67 0.03 2.59 0.00 -1.26 -1.64 107.32 112.06 1lfw s GLY 267 Ca 0.06 0.86 -0.04 0.00 0.00 0.00 0.00 44.72 45.60 1lfw s GLY 267 CO -0.11 1.24 0.06 0.00 0.00 0.00 0.00 173.10 174.28 1lfw s ALA 268 N -1.72 0.02 0.27 3.20 0.00 -1.24 -4.57 121.76 117.72 1lfw s ALA 268 Ca 0.72 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 1lfw s ALA 268 Cb -0.25 0.22 -0.13 0.00 0.00 0.00 0.00 23.12 22.96 1lfw s ALA 268 CO 0.29 -0.28 1.37 1.58 0.00 0.00 0.00 175.76 178.71 1lfw n HIS 269 N 0.92 2.18 0.28 0.00 -0.00 -1.23 -0.53 115.22 116.84 1lfw n HIS 269 Ca -0.20 0.47 0.17 0.00 0.46 0.00 0.00 57.72 58.62 1lfw n HIS 269 Cb 0.58 -2.44 0.90 0.00 -0.12 0.00 0.00 29.99 28.90 1lfw n HIS 269 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1lfw h ALA 270 N 3.69 1.09 0.00 1.57 0.00 -1.49 0.29 119.26 124.41 1lfw h ALA 270 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1lfw h ALA 270 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1lfw h ALA 270 CO 0.72 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.53 1lfw h SER 271 N 0.00 0.00 -2.03 0.00 4.64 -1.87 -3.36 113.55 110.93 1lfw h SER 271 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1lfw h SER 271 Cb 0.20 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.89 1lfw h SER 271 CO 0.00 0.00 -1.12 0.00 -0.87 0.00 0.00 176.83 174.84 1lfw n ALA 272 N -1.82 2.37 0.24 5.18 0.00 0.09 -4.79 120.51 121.78 1lfw n ALA 272 Ca 0.05 -3.55 0.14 0.00 0.00 0.00 0.00 53.44 50.08 1lfw n ALA 272 Cb 0.40 -0.89 0.79 0.00 0.00 0.00 0.00 19.45 19.76 1lfw n ALA 272 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1lfw h PRO 273 N 3.21 0.00 0.00 0.00 0.13 -1.71 -1.75 132.00 131.88 1lfw h PRO 273 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1lfw h PRO 273 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1lfw h PRO 273 CO 0.53 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 1lfw n GLN 274 N -4.10 0.05 0.00 0.86 0.00 -1.26 -1.52 117.38 111.42 1lfw n GLN 274 Ca -0.01 0.44 0.13 0.00 0.00 0.00 0.00 57.00 57.56 1lfw n GLN 274 Cb 0.18 -1.63 0.37 0.00 0.00 0.00 0.00 30.24 29.16 1lfw n GLN 274 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1lfw n VAL 275 N -1.74 0.00 -4.08 -0.39 0.24 -0.66 -4.93 118.33 106.78 1lfw n VAL 275 Ca 0.01 -0.17 -0.04 0.00 -2.04 0.00 0.00 64.34 62.10 1lfw n VAL 275 Cb 0.09 0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 32.96 1lfw n VAL 275 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lfw n GLY 276 N 1.31 4.09 2.80 7.63 0.00 -0.57 -4.99 105.19 115.46 1lfw n GLY 276 Ca 0.13 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 1lfw n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lfw s LYS 277 N -2.23 0.94 -0.36 1.61 1.02 -0.65 -4.95 119.74 115.12 1lfw s LYS 277 Ca 0.00 -1.02 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 1lfw s LYS 277 Cb -0.00 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1lfw s LYS 277 CO 0.00 -0.85 2.01 1.21 -0.92 0.00 0.00 175.35 176.80 1lfw s ASN 278 N 1.55 5.47 0.40 2.83 3.84 -1.26 -0.94 114.94 126.83 1lfw s ASN 278 Ca 0.05 1.30 0.10 0.00 0.21 0.00 0.00 52.86 54.51 1lfw s ASN 278 Cb -0.18 -2.52 0.89 0.00 -0.55 0.00 0.00 41.25 38.89 1lfw s ASN 278 CO -0.17 -2.04 1.98 0.77 -2.79 0.00 0.00 177.10 174.85 1lfw h SER 279 N 14.74 0.50 -0.20 -4.21 4.64 -1.73 -2.00 113.55 125.30 1lfw h SER 279 Ca -0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 1lfw h SER 279 Cb 1.20 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1lfw h SER 279 CO 1.06 0.32 -0.28 0.00 -0.87 0.00 0.00 176.83 177.06 1lfw h ALA 280 N 1.67 0.30 -0.05 5.18 0.00 -1.88 -1.27 119.26 123.21 1lfw h ALA 280 Ca 0.27 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1lfw h ALA 280 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1lfw h ALA 280 CO -0.08 0.31 -0.54 1.79 0.00 0.00 0.00 179.25 180.72 1lfw h THR 281 N 0.21 1.38 -0.42 0.00 1.35 -1.82 -1.35 112.91 112.27 1lfw h THR 281 Ca 0.02 -1.85 -0.12 0.00 -0.55 0.00 0.00 66.41 63.90 1lfw h THR 281 Cb 0.86 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1lfw h THR 281 CO 0.07 0.54 -0.22 -0.26 -0.25 0.00 0.00 175.52 175.40 1lfw h PHE 282 N 0.11 1.03 -0.70 4.73 0.04 -1.35 0.83 116.94 121.63 1lfw h PHE 282 Ca -0.00 -0.26 -0.05 0.00 2.80 0.00 0.00 57.97 60.46 1lfw h PHE 282 Cb 1.00 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 1lfw h PHE 282 CO 0.01 1.05 0.23 1.25 -0.60 0.00 0.00 178.31 180.25 1lfw h LEU 283 N 0.71 1.01 -0.92 1.54 5.85 -0.99 -1.85 115.31 120.66 1lfw h LEU 283 Ca 0.09 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1lfw h LEU 283 Cb 0.79 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1lfw h LEU 283 CO 0.06 0.94 0.09 0.00 -0.34 0.00 0.00 178.44 179.19 1lfw h ALA 284 N 1.11 1.11 -0.79 1.25 0.00 -1.02 0.17 119.26 121.10 1lfw h ALA 284 Ca 0.23 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1lfw h ALA 284 Cb 0.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1lfw h ALA 284 CO -0.01 0.58 0.49 1.25 0.00 0.00 0.00 179.25 181.56 1lfw h LEU 285 N 0.84 0.79 -0.06 0.00 5.85 -0.28 0.40 115.31 122.84 1lfw h LEU 285 Ca 0.17 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1lfw h LEU 285 Cb 0.37 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1lfw h LEU 285 CO 0.01 0.53 -0.11 0.15 -0.34 0.00 0.00 178.44 178.68 1lfw h PHE 286 N 0.93 0.23 -0.18 1.25 3.04 -0.80 -3.30 116.94 118.12 1lfw h PHE 286 Ca 0.33 -0.08 -0.08 0.00 3.98 0.00 0.00 57.97 62.12 1lfw h PHE 286 Cb 0.08 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1lfw h PHE 286 CO -0.04 0.69 -0.23 -0.07 -2.02 0.00 0.00 178.31 176.65 1lfw h LEU 287 N -0.29 0.31 -0.90 0.59 3.38 -0.60 -2.91 115.31 114.89 1lfw h LEU 287 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1lfw h LEU 287 Cb 0.67 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1lfw h LEU 287 CO 0.02 0.55 0.00 -0.67 0.09 0.00 0.00 178.44 178.43 1lfw n ASP 288 N -4.17 0.40 0.20 -0.43 2.03 0.14 -1.03 116.55 113.68 1lfw n ASP 288 Ca -0.01 0.67 0.14 0.00 0.52 0.00 0.00 54.79 56.11 1lfw n ASP 288 Cb 0.36 -0.73 0.47 0.00 -0.72 0.00 0.00 41.12 40.50 1lfw n ASP 288 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1lfw h GLN 289 N 0.00 0.00 -6.29 -0.67 4.20 -1.65 -3.45 115.11 107.25 1lfw h GLN 289 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1lfw h GLN 289 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1lfw h GLN 289 CO 0.00 0.00 -0.32 0.71 -0.67 0.00 0.00 178.83 178.55 1lfw s TYR 290 N -3.37 3.48 -0.57 2.96 2.02 -0.20 -5.01 117.35 116.66 1lfw s TYR 290 Ca 0.05 0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1lfw s TYR 290 Cb 0.09 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1lfw s TYR 290 CO 0.55 0.33 1.75 0.00 -1.57 0.00 0.00 175.55 176.61 1lfw n ALA 291 N -1.15 3.50 -1.98 3.71 0.00 -1.26 -4.89 120.51 118.43 1lfw n ALA 291 Ca -0.06 -1.30 -0.27 0.00 0.00 0.00 0.00 53.44 51.81 1lfw n ALA 291 Cb 0.55 -2.79 0.05 0.00 0.00 0.00 0.00 19.45 17.26 1lfw n ALA 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1lfw s PHE 292 N 3.77 3.15 0.28 0.00 0.40 -1.26 -1.52 117.98 122.80 1lfw s PHE 292 Ca 0.27 0.68 -0.01 0.00 -0.60 0.00 0.00 56.93 57.28 1lfw s PHE 292 Cb 0.07 -3.00 -0.02 0.00 0.51 0.00 0.00 43.02 40.58 1lfw s PHE 292 CO -0.02 -1.14 0.31 0.00 0.70 0.00 0.00 175.22 175.06 1lfw s ALA 293 N -3.19 1.07 0.00 5.36 0.00 -1.26 -4.63 121.76 119.11 1lfw s ALA 293 Ca 0.57 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1lfw s ALA 293 Cb -0.11 1.31 0.00 0.00 0.00 0.00 0.00 23.12 24.33 1lfw s ALA 293 CO 0.47 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1lfw n GLY 294 N -0.46 2.16 0.34 0.00 0.00 -1.20 -2.13 105.19 103.91 1lfw n GLY 294 Ca 0.03 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.71 1lfw n GLY 294 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lfw h ARG 295 N 0.00 0.79 -0.29 1.61 2.43 -1.57 -0.12 114.38 117.24 1lfw h ARG 295 Ca 0.00 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1lfw h ARG 295 Cb 0.00 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1lfw h ARG 295 CO 0.00 0.52 0.04 -0.44 -1.51 0.00 0.00 179.97 178.58 1lfw h ASP 296 N 0.81 -0.04 -0.46 -3.80 3.32 -1.73 0.45 116.42 114.97 1lfw h ASP 296 Ca 0.28 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 1lfw h ASP 296 Cb 0.08 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1lfw h ASP 296 CO -0.08 0.02 0.06 0.50 -1.72 0.00 0.00 179.24 178.02 1lfw h LYS 297 N 0.13 0.77 -0.74 3.56 1.63 -0.76 -0.89 116.57 120.28 1lfw h LYS 297 Ca 0.14 -0.22 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1lfw h LYS 297 Cb 0.16 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 1lfw h LYS 297 CO -0.20 0.80 0.48 -0.91 -3.45 0.00 0.00 179.45 176.17 1lfw h ASN 298 N 0.64 0.85 0.24 4.20 -0.26 -0.59 0.11 115.58 120.77 1lfw h ASN 298 Ca 0.14 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1lfw h ASN 298 Cb 0.41 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1lfw h ASN 298 CO 0.01 0.62 -0.11 0.15 -1.06 0.00 0.00 177.43 177.04 1lfw h PHE 299 N 1.00 -0.30 -0.67 1.19 3.04 -0.75 -0.35 116.94 120.11 1lfw h PHE 299 Ca 0.27 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.16 1lfw h PHE 299 Cb -0.11 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1lfw h PHE 299 CO -0.02 -0.07 0.20 -0.07 -2.02 0.00 0.00 178.31 176.33 1lfw h LEU 300 N -0.48 0.98 -0.79 0.59 3.38 -1.01 -1.48 115.31 116.49 1lfw h LEU 300 Ca -0.03 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1lfw h LEU 300 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1lfw h LEU 300 CO 0.05 0.94 -0.14 -0.74 0.09 0.00 0.00 178.44 178.64 1lfw h HIS 301 N 0.98 0.84 -0.18 1.13 2.76 -0.76 0.11 115.15 120.03 1lfw h HIS 301 Ca 0.21 -0.16 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1lfw h HIS 301 Cb 0.32 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1lfw h HIS 301 CO 0.02 0.85 0.04 0.35 -1.30 0.00 0.00 177.93 177.90 1lfw h PHE 302 N 0.68 0.31 -0.59 5.26 3.57 -0.80 0.30 116.94 125.67 1lfw h PHE 302 Ca 0.11 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1lfw h PHE 302 Cb 0.62 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1lfw h PHE 302 CO 0.03 0.42 0.12 -0.07 -2.23 0.00 0.00 178.31 176.58 1lfw h LEU 303 N 0.10 0.88 -0.01 0.59 3.38 -0.94 0.67 115.31 119.98 1lfw h LEU 303 Ca 0.06 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1lfw h LEU 303 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1lfw h LEU 303 CO 0.00 0.87 -0.23 0.00 0.09 0.00 0.00 178.44 179.18 1lfw h ALA 304 N 1.24 0.05 0.06 1.53 0.00 -0.56 0.14 119.26 121.71 1lfw h ALA 304 Ca 0.19 -0.44 -0.29 0.00 0.00 0.00 0.00 54.91 54.36 1lfw h ALA 304 Cb 0.36 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1lfw h ALA 304 CO 0.00 0.07 -1.57 1.49 0.00 0.00 0.00 179.25 179.25 1lfw h GLU 305 N -0.45 0.12 0.00 0.00 4.57 -0.45 -3.35 114.58 115.01 1lfw h GLU 305 Ca -0.02 -0.20 -0.43 0.00 -1.18 0.00 0.00 59.36 57.52 1lfw h GLU 305 Cb 0.95 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.55 1lfw h GLU 305 CO 0.05 0.87 -2.44 0.28 -1.18 0.00 0.00 179.01 176.59 1lfw n VAL 306 N -3.29 1.51 0.07 0.32 0.31 0.10 -4.73 118.33 112.62 1lfw n VAL 306 Ca -0.16 -0.35 -0.06 0.00 -0.01 0.00 0.00 64.34 63.76 1lfw n VAL 306 Cb 1.03 -1.90 -0.10 0.00 -0.91 0.00 0.00 33.84 31.95 1lfw n VAL 306 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1lfw h GLU 307 N -0.98 0.00 -6.31 5.55 4.39 -1.14 -3.40 114.58 112.68 1lfw h GLU 307 Ca -0.66 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.49 1lfw h GLU 307 Cb 1.57 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.24 1lfw h GLU 307 CO -0.40 0.93 1.24 1.58 -1.16 0.00 0.00 179.01 181.20 1lfw n HIS 308 N -3.33 2.44 -1.79 4.33 -0.00 0.47 -1.77 115.22 115.57 1lfw n HIS 308 Ca -0.00 -0.30 -0.19 0.00 0.46 0.00 0.00 57.72 57.69 1lfw n HIS 308 Cb 0.92 -2.78 -0.06 0.00 -0.12 0.00 0.00 29.99 27.95 1lfw n HIS 308 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1lfw n GLU 309 N 7.51 -1.53 -1.97 1.57 1.02 -1.26 -4.85 120.64 121.12 1lfw n GLU 309 Ca 0.21 1.04 -0.39 0.00 -0.02 0.00 0.00 57.16 58.01 1lfw n GLU 309 Cb 0.39 -5.47 -0.01 0.00 -0.02 0.00 0.00 31.44 26.33 1lfw n GLU 309 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1lfw n ASP 310 N -1.36 7.90 0.17 1.62 4.64 -0.73 -4.73 116.55 124.06 1lfw n ASP 310 Ca -0.20 -3.17 0.18 0.00 -1.38 0.00 0.00 54.79 50.23 1lfw n ASP 310 Cb 0.63 -1.34 0.80 0.00 -1.04 0.00 0.00 41.12 40.17 1lfw n ASP 310 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1lfw h PHE 311 N 4.44 0.00 -0.27 -0.67 0.05 -1.85 -1.93 116.94 116.71 1lfw h PHE 311 Ca 0.67 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.46 1lfw h PHE 311 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.29 1lfw h PHE 311 CO 1.59 0.00 0.00 0.66 -0.18 0.00 0.00 178.31 180.38 1lfw n TYR 312 N -3.70 0.48 -1.43 -0.55 4.02 -1.26 -0.62 117.16 114.10 1lfw n TYR 312 Ca 0.04 -0.60 -0.15 0.00 -0.01 0.00 0.00 57.90 57.18 1lfw n TYR 312 Cb 0.44 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 1lfw n TYR 312 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lfw n GLY 313 N 0.08 1.48 0.10 2.72 0.00 -0.73 -3.92 105.19 104.92 1lfw n GLY 313 Ca 0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1lfw n GLY 313 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lfw h LYS 314 N 0.02 0.23 0.00 1.61 1.57 -1.93 -1.35 116.57 116.72 1lfw h LYS 314 Ca -0.30 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.33 1lfw h LYS 314 Cb 1.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1lfw h LYS 314 CO 0.44 0.37 -0.44 0.87 -0.57 0.00 0.00 179.45 180.13 1lfw h LYS 315 N 0.04 0.00 0.00 3.15 1.57 -1.91 -2.13 116.57 117.29 1lfw h LYS 315 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1lfw h LYS 315 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1lfw h LYS 315 CO -0.00 0.44 -0.14 1.25 -0.57 0.00 0.00 179.45 180.43 1lfw h LEU 316 N 0.00 0.00 0.00 2.94 5.85 -1.72 -3.47 115.31 118.91 1lfw h LEU 316 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1lfw h LEU 316 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1lfw h LEU 316 CO 0.06 0.14 0.00 0.61 -0.34 0.00 0.00 178.44 178.90 1lfw n GLY 317 N 0.10 0.68 0.76 3.75 0.00 -0.60 -4.49 105.19 105.37 1lfw n GLY 317 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1lfw n GLY 317 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1lfw n ILE 318 N -2.05 0.00 -1.69 -0.61 -5.35 -0.65 -4.80 119.36 104.22 1lfw n ILE 318 Ca 0.00 -0.47 -0.43 0.00 -0.27 0.00 0.00 62.75 61.58 1lfw n ILE 318 Cb 0.00 1.39 -0.01 0.00 -1.74 0.00 0.00 39.64 39.28 1lfw n ILE 318 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1lfw n PHE 319 N 0.97 2.18 -3.72 4.28 7.35 -0.83 -4.96 117.46 122.72 1lfw n PHE 319 Ca 0.11 0.56 -0.13 0.00 -0.76 0.00 0.00 57.45 57.23 1lfw n PHE 319 Cb 0.49 -2.40 -0.10 0.00 0.35 0.00 0.00 39.48 37.81 1lfw n PHE 319 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1lfw s HIS 320 N -0.99 -0.48 -0.14 -5.13 5.65 -1.26 -4.98 115.29 107.94 1lfw s HIS 320 Ca 0.57 1.14 0.00 0.00 0.25 0.00 0.00 55.06 57.03 1lfw s HIS 320 Cb -0.59 0.18 -0.01 0.00 -1.18 0.00 0.00 32.58 30.98 1lfw s HIS 320 CO 0.61 -0.24 -0.15 -1.58 -0.65 0.00 0.00 174.74 172.73 1lfw s HIS 321 N 0.48 2.78 -0.07 3.88 2.46 -1.26 -2.01 115.29 121.54 1lfw s HIS 321 Ca -0.02 -0.88 0.04 0.00 0.47 0.00 0.00 55.06 54.67 1lfw s HIS 321 Cb -0.04 -1.86 -0.01 0.00 -0.13 0.00 0.00 32.58 30.53 1lfw s HIS 321 CO -0.02 -0.37 -0.21 0.34 -2.47 0.00 0.00 174.74 172.01 1lfw s ASP 322 N 0.61 3.45 0.24 9.88 2.15 0.04 -4.98 116.67 128.05 1lfw s ASP 322 Ca -0.08 -0.41 -0.05 0.00 0.43 0.00 0.00 52.55 52.43 1lfw s ASP 322 Cb -0.16 -0.99 0.39 0.00 -0.30 0.00 0.00 42.92 41.87 1lfw s ASP 322 CO 0.03 0.25 1.76 -0.78 -0.17 0.00 0.00 175.17 176.26 1lfw h ASP 323 N 6.03 0.43 0.05 -0.34 3.58 -1.93 0.20 116.42 124.43 1lfw h ASP 323 Ca -0.34 0.08 -0.20 0.00 0.42 0.00 0.00 57.03 56.99 1lfw h ASP 323 Cb 1.18 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1lfw h ASP 323 CO 0.49 0.22 -1.04 0.25 -2.88 0.00 0.00 179.24 176.28 1lfw h LEU 324 N 0.57 0.16 -1.01 2.28 5.85 -1.97 -3.39 115.31 117.80 1lfw h LEU 324 Ca 0.38 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1lfw h LEU 324 Cb 0.47 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1lfw h LEU 324 CO -0.32 1.44 -0.01 0.23 -0.34 0.00 0.00 178.44 179.44 1lfw n MET 325 N -4.25 1.68 0.00 1.25 2.81 -1.21 -4.81 117.12 112.58 1lfw n MET 325 Ca -0.24 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.64 1lfw n MET 325 Cb 0.73 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 1lfw n MET 325 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lfw n GLY 326 N 1.19 -1.45 3.88 3.03 0.00 0.69 -4.77 105.19 107.76 1lfw n GLY 326 Ca 0.19 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1lfw n GLY 326 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lfw s ASP 327 N -4.00 6.57 0.52 1.61 1.01 -1.26 -0.78 116.67 120.33 1lfw s ASP 327 Ca 0.00 0.69 -0.22 0.00 0.71 0.00 0.00 52.55 53.73 1lfw s ASP 327 Cb 0.00 -2.13 -0.06 0.00 1.01 0.00 0.00 42.92 41.74 1lfw s ASP 327 CO 0.00 0.15 1.24 -0.22 0.21 0.00 0.00 175.17 176.55 1lfw s LEU 328 N -2.12 3.89 -0.03 1.23 0.20 -0.85 -4.80 118.68 116.19 1lfw s LEU 328 Ca 0.35 2.49 0.05 0.00 0.69 0.00 0.00 54.13 57.71 1lfw s LEU 328 Cb -0.13 -4.32 -0.02 0.00 -0.43 0.00 0.00 46.19 41.28 1lfw s LEU 328 CO 0.20 -1.28 -0.19 0.00 -0.29 0.00 0.00 176.35 174.79 1lfw s ALA 329 N -1.47 2.48 -0.08 5.97 0.00 -0.20 -4.28 121.76 124.19 1lfw s ALA 329 Ca 0.69 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1lfw s ALA 329 Cb -0.33 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1lfw s ALA 329 CO 0.39 0.55 -0.05 0.45 0.00 0.00 0.00 175.76 177.09 1lfw s SER 330 N -0.72 1.65 -0.24 0.00 0.15 0.21 -1.34 113.70 113.40 1lfw s SER 330 Ca 0.11 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 1lfw s SER 330 Cb -0.10 -0.63 0.07 0.00 -1.71 0.00 0.00 66.02 63.65 1lfw s SER 330 CO 0.00 -0.10 0.04 -0.44 1.20 0.00 0.00 173.24 173.94 1lfw s SER 331 N 1.41 3.49 -0.20 5.45 0.01 0.75 -4.40 113.70 120.21 1lfw s SER 331 Ca -0.02 -1.18 -0.29 0.00 1.31 0.00 0.00 55.95 55.77 1lfw s SER 331 Cb -0.13 -0.81 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 1lfw s SER 331 CO -0.03 -0.33 1.57 -2.84 0.41 0.00 0.00 173.24 172.02 1lfw s PRO 332 N 1.68 3.88 -0.01 12.44 0.02 -1.26 -0.31 135.00 151.43 1lfw s PRO 332 Ca 0.02 1.68 0.02 0.00 0.02 0.00 0.00 61.00 62.74 1lfw s PRO 332 Cb -0.18 -4.00 -0.02 0.00 0.02 0.00 0.00 34.50 30.33 1lfw s PRO 332 CO -0.13 -1.19 0.01 -1.13 -0.33 0.00 0.00 177.00 174.23 1lfw n SER 333 N 8.10 4.59 -4.08 2.53 3.41 0.12 -4.60 113.62 123.69 1lfw n SER 333 Ca 0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.52 1lfw n SER 333 Cb 0.45 0.62 -0.17 0.00 -0.26 0.00 0.00 64.21 64.85 1lfw n SER 333 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1lfw s MET 334 N -2.05 2.04 -0.08 4.33 -1.94 -1.15 -4.02 119.30 116.43 1lfw s MET 334 Ca -0.01 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1lfw s MET 334 Cb 0.01 -1.64 0.02 0.00 2.01 0.00 0.00 34.83 35.22 1lfw s MET 334 CO 0.07 0.08 -0.10 -0.06 -0.01 0.00 0.00 175.02 175.00 1lfw s PHE 335 N 0.53 1.42 -0.28 -0.03 0.08 0.42 -0.69 117.98 119.43 1lfw s PHE 335 Ca -0.15 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.30 1lfw s PHE 335 Cb -0.16 -1.10 0.12 0.00 -0.57 0.00 0.00 43.02 41.31 1lfw s PHE 335 CO 0.05 -0.35 0.21 0.34 -0.10 0.00 0.00 175.22 175.38 1lfw s ASP 336 N 1.01 2.50 -0.05 1.36 -1.08 -0.30 -1.75 116.67 118.36 1lfw s ASP 336 Ca -0.08 -0.96 0.03 0.00 -0.52 0.00 0.00 52.55 51.01 1lfw s ASP 336 Cb -0.15 0.10 0.01 0.00 -1.46 0.00 0.00 42.92 41.43 1lfw s ASP 336 CO -0.00 -0.41 -0.12 -0.47 0.52 0.00 0.00 175.17 174.69 1lfw s TYR 337 N 2.24 1.34 -0.04 -5.34 5.04 0.17 -0.47 117.35 120.29 1lfw s TYR 337 Ca 0.09 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1lfw s TYR 337 Cb -0.15 -0.96 0.03 0.00 0.35 0.00 0.00 41.96 41.22 1lfw s TYR 337 CO -0.33 -0.21 -0.00 -1.21 -1.34 0.00 0.00 175.55 172.46 1lfw s GLU 338 N 0.44 0.43 0.26 4.97 2.02 -0.10 -0.96 118.70 125.77 1lfw s GLU 338 Ca -0.10 0.06 -0.02 0.00 0.02 0.00 0.00 54.97 54.94 1lfw s GLU 338 Cb -0.13 -0.63 0.53 0.00 0.10 0.00 0.00 34.13 34.00 1lfw s GLU 338 CO 0.02 -0.16 1.71 1.25 0.02 0.00 0.00 175.26 178.10 1lfw h HIS 339 N 7.49 0.48 -0.06 1.61 -0.00 -1.23 -0.11 115.15 123.33 1lfw h HIS 339 Ca -0.36 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 1lfw h HIS 339 Cb 1.13 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 1lfw h HIS 339 CO 0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 177.93 178.42 1lfw n ALA 340 N -2.56 2.48 -2.93 5.26 0.00 -1.26 -4.95 120.51 116.55 1lfw n ALA 340 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1lfw n ALA 340 Cb 0.49 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1lfw n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lfw n GLY 341 N 1.32 4.94 3.82 0.00 0.00 -0.05 -5.13 105.19 110.08 1lfw n GLY 341 Ca 0.15 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1lfw n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lfw s LYS 342 N 4.44 3.00 -0.47 1.61 -0.14 -1.26 -4.65 119.74 122.27 1lfw s LYS 342 Ca 0.00 1.01 0.04 0.00 -1.36 0.00 0.00 55.97 55.66 1lfw s LYS 342 Cb 0.00 -2.00 0.17 0.00 -1.68 0.00 0.00 37.83 34.32 1lfw s LYS 342 CO 0.00 -1.05 0.37 0.00 -0.76 0.00 0.00 175.35 173.91 1lfw s ALA 343 N -2.92 1.93 0.06 5.17 0.00 -1.25 -0.92 121.76 123.83 1lfw s ALA 343 Ca 0.59 -2.74 0.06 0.00 0.00 0.00 0.00 51.96 49.87 1lfw s ALA 343 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1lfw s ALA 343 CO 0.51 -2.01 -0.11 -1.54 0.00 0.00 0.00 175.76 172.61 1lfw s SER 344 N -0.23 4.31 -0.03 0.00 1.04 0.38 -1.50 113.70 117.67 1lfw s SER 344 Ca 0.30 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1lfw s SER 344 Cb 0.00 -0.85 0.02 0.00 0.10 0.00 0.00 66.02 65.30 1lfw s SER 344 CO -0.18 0.23 0.06 -0.22 0.98 0.00 0.00 173.24 174.11 1lfw s LEU 345 N -1.79 1.32 -0.16 2.42 2.96 -0.93 -1.15 118.68 121.35 1lfw s LEU 345 Ca 0.18 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1lfw s LEU 345 Cb -0.11 0.10 -0.00 0.00 0.50 0.00 0.00 46.19 46.68 1lfw s LEU 345 CO 0.10 -0.09 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.13 1lfw s LEU 346 N 0.66 2.47 -0.28 -0.68 1.43 0.13 -0.06 118.68 122.35 1lfw s LEU 346 Ca -0.05 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1lfw s LEU 346 Cb -0.08 -1.56 0.07 0.00 0.03 0.00 0.00 46.19 44.65 1lfw s LEU 346 CO -0.02 0.08 -0.06 0.21 0.23 0.00 0.00 176.35 176.79 1lfw s ASN 347 N 0.85 4.58 0.17 2.29 3.84 -0.02 -0.71 114.94 125.94 1lfw s ASN 347 Ca -0.05 -1.55 -0.30 0.00 0.21 0.00 0.00 52.86 51.17 1lfw s ASN 347 Cb -0.15 -1.59 -0.07 0.00 -0.55 0.00 0.00 41.25 38.89 1lfw s ASN 347 CO -0.01 -0.24 1.10 0.21 -2.79 0.00 0.00 177.10 175.37 1lfw s ASN 348 N 1.09 7.26 -0.04 -4.21 3.04 0.58 -0.49 114.94 122.17 1lfw s ASN 348 Ca -0.04 2.08 0.03 0.00 0.04 0.00 0.00 52.86 54.96 1lfw s ASN 348 Cb -0.20 -2.60 0.01 0.00 -1.54 0.00 0.00 41.25 36.92 1lfw s ASN 348 CO -0.05 -0.24 -0.11 -0.69 -3.04 0.00 0.00 177.10 172.97 1lfw s VAL 349 N -0.14 0.99 -0.26 -5.21 1.01 0.41 -0.18 120.40 117.03 1lfw s VAL 349 Ca 0.50 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1lfw s VAL 349 Cb -0.29 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1lfw s VAL 349 CO 0.34 0.31 0.03 -0.13 0.00 0.00 0.00 175.10 175.65 1lfw s ARG 350 N 0.32 3.27 -0.01 2.72 1.81 -0.45 -1.75 118.95 124.85 1lfw s ARG 350 Ca -0.07 -0.72 0.08 0.00 -1.72 0.00 0.00 55.73 53.30 1lfw s ARG 350 Cb -0.11 -3.22 -0.02 0.00 -0.45 0.00 0.00 34.95 31.15 1lfw s ARG 350 CO 0.02 -0.31 -0.26 1.52 -0.68 0.00 0.00 175.30 175.58 1lfw s TYR 351 N 1.50 2.32 0.74 -0.53 1.13 0.39 -1.03 117.35 121.88 1lfw s TYR 351 Ca 0.04 -0.44 -0.10 0.00 -1.41 0.00 0.00 57.07 55.16 1lfw s TYR 351 Cb -0.16 -1.48 0.06 0.00 -1.10 0.00 0.00 41.96 39.27 1lfw s TYR 351 CO 0.00 -0.03 1.10 -1.25 -2.51 0.00 0.00 175.55 172.87 1lfw s PRO 352 N -0.66 2.28 0.76 -3.49 0.04 -1.26 0.84 135.00 133.51 1lfw s PRO 352 Ca 0.10 0.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.09 1lfw s PRO 352 Cb -0.10 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1lfw s PRO 352 CO -0.01 -1.32 1.17 -0.65 0.04 0.00 0.00 177.00 176.23 1lfw s GLN 353 N -5.40 2.04 0.00 4.56 -0.21 -1.26 -3.12 119.66 116.26 1lfw s GLN 353 Ca 0.60 1.62 0.00 0.00 0.02 0.00 0.00 55.36 57.60 1lfw s GLN 353 Cb -0.11 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.06 1lfw s GLN 353 CO 0.48 -1.88 0.00 0.41 -2.12 0.00 0.00 175.29 172.18 1lfw n GLY 354 N 0.09 2.37 3.18 3.09 0.00 -1.26 -4.67 105.19 107.98 1lfw n GLY 354 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1lfw n GLY 354 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lfw s THR 355 N -2.21 0.08 0.28 2.61 -1.32 -1.18 -5.08 115.64 108.81 1lfw s THR 355 Ca 0.00 -1.87 -0.15 0.00 -1.21 0.00 0.00 61.69 58.46 1lfw s THR 355 Cb 0.00 -2.09 0.01 0.00 -1.51 0.00 0.00 72.50 68.91 1lfw s THR 355 CO 0.00 -0.38 0.58 1.51 -2.21 0.00 0.00 174.62 174.12 1lfw s ASP 356 N -3.06 -0.06 0.16 8.08 1.47 -1.26 -4.85 116.67 117.16 1lfw s ASP 356 Ca 0.25 -0.89 -0.19 0.00 1.18 0.00 0.00 52.55 52.91 1lfw s ASP 356 Cb 0.07 0.66 0.08 0.00 -0.34 0.00 0.00 42.92 43.39 1lfw s ASP 356 CO 0.03 -1.27 1.65 -0.65 0.68 0.00 0.00 175.17 175.62 1lfw h PRO 357 N 2.14 -0.08 -0.97 2.11 0.11 -2.00 -0.74 132.00 132.57 1lfw h PRO 357 Ca -0.25 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.89 1lfw h PRO 357 Cb 1.25 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1lfw h PRO 357 CO 0.32 -0.05 0.64 -0.44 -0.21 0.00 0.00 178.00 178.26 1lfw h ASP 358 N -0.08 1.09 -0.44 -2.05 3.32 -1.99 -0.05 116.42 116.21 1lfw h ASP 358 Ca 0.18 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1lfw h ASP 358 Cb 0.35 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1lfw h ASP 358 CO -0.41 0.76 0.10 0.74 -1.72 0.00 0.00 179.24 178.71 1lfw h THR 359 N 1.27 1.24 -0.21 0.35 2.02 -1.80 -2.22 112.91 113.56 1lfw h THR 359 Ca 0.37 -0.83 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 1lfw h THR 359 Cb -0.06 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1lfw h THR 359 CO -0.10 0.29 -0.36 0.24 0.37 0.00 0.00 175.52 175.96 1lfw h MET 360 N 0.58 0.45 -0.41 6.66 2.86 -0.69 -1.00 114.93 123.38 1lfw h MET 360 Ca 0.14 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1lfw h MET 360 Cb 0.33 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1lfw h MET 360 CO 0.00 0.75 0.16 0.82 1.06 0.00 0.00 176.91 179.70 1lfw h ILE 361 N 0.38 1.20 -0.69 -1.22 1.08 -0.87 -0.51 117.51 116.88 1lfw h ILE 361 Ca 0.04 -0.62 -0.07 0.00 -0.39 0.00 0.00 64.86 63.81 1lfw h ILE 361 Cb 0.81 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 1lfw h ILE 361 CO 0.07 0.23 0.14 0.50 -0.69 0.00 0.00 178.15 178.39 1lfw h LYS 362 N 0.51 1.12 -0.72 2.37 3.11 -1.17 -0.30 116.57 121.50 1lfw h LYS 362 Ca 0.13 -0.28 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1lfw h LYS 362 Cb 0.20 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.26 1lfw h LYS 362 CO -0.01 1.01 0.30 1.96 -2.81 0.00 0.00 179.45 179.90 1lfw h GLN 363 N 1.06 1.06 -0.08 1.90 4.20 -0.74 0.21 115.11 122.72 1lfw h GLN 363 Ca 0.21 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1lfw h GLN 363 Cb 0.41 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1lfw h GLN 363 CO 0.01 0.86 -0.02 0.28 -0.67 0.00 0.00 178.83 179.29 1lfw h VAL 364 N 1.02 1.30 -0.57 -0.54 2.07 -0.86 -3.11 116.25 115.56 1lfw h VAL 364 Ca 0.24 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1lfw h VAL 364 Cb 0.19 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1lfw h VAL 364 CO -0.02 0.27 0.20 -0.07 0.02 0.00 0.00 177.57 177.97 1lfw h LEU 365 N -0.19 0.77 -2.01 2.57 3.38 -0.88 0.26 115.31 119.21 1lfw h LEU 365 Ca 0.02 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1lfw h LEU 365 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1lfw h LEU 365 CO 0.01 0.72 0.13 0.44 0.09 0.00 0.00 178.44 179.82 1lfw h ASP 366 N 0.83 0.00 0.10 -0.43 3.45 -0.54 -0.42 116.42 119.41 1lfw h ASP 366 Ca 0.19 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.29 1lfw h ASP 366 Cb 0.20 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.91 1lfw h ASP 366 CO -0.01 0.00 -2.26 0.29 -1.57 0.00 0.00 179.24 175.69 1lfw n LYS 367 N -4.46 0.68 -0.00 3.56 5.02 -0.73 -4.74 118.16 117.49 1lfw n LYS 367 Ca 0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1lfw n LYS 367 Cb 0.26 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1lfw n LYS 367 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1lfw n PHE 368 N -2.97 0.00 0.15 2.13 3.72 0.85 -4.76 117.46 116.59 1lfw n PHE 368 Ca -0.33 -0.42 0.19 0.00 -0.05 0.00 0.00 57.45 56.84 1lfw n PHE 368 Cb 1.09 -0.04 0.78 0.00 -0.94 0.00 0.00 39.48 40.37 1lfw n PHE 368 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1lfw h SER 369 N 0.00 0.00 0.07 4.37 4.64 -1.23 0.21 113.55 121.61 1lfw h SER 369 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1lfw h SER 369 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1lfw h SER 369 CO 0.00 0.00 -0.10 1.23 -0.87 0.00 0.00 176.83 177.09 1lfw h GLY 370 N 0.00 0.09 0.00 -0.77 0.00 -1.85 -3.26 103.07 97.28 1lfw h GLY 370 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1lfw h GLY 370 CO -0.00 0.04 -0.24 0.29 0.00 0.00 0.00 176.54 176.63 1lfw n ILE 371 N -4.37 0.00 -3.96 2.60 -5.35 -0.05 -4.94 119.36 103.29 1lfw n ILE 371 Ca -0.02 -0.39 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 1lfw n ILE 371 Cb 0.20 0.97 -0.05 0.00 -1.74 0.00 0.00 39.64 39.02 1lfw n ILE 371 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1lfw s LEU 372 N -2.25 0.33 0.09 7.28 0.05 -0.53 -1.00 118.68 122.66 1lfw s LEU 372 Ca 0.01 -0.87 0.10 0.00 0.05 0.00 0.00 54.13 53.43 1lfw s LEU 372 Cb 0.03 1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 45.92 1lfw s LEU 372 CO 0.16 -1.12 -0.27 -1.81 -0.55 0.00 0.00 176.35 172.77 1lfw s ASP 373 N -2.99 3.26 -0.10 1.48 1.11 0.87 -4.23 116.67 116.07 1lfw s ASP 373 Ca 0.20 -0.68 -0.08 0.00 0.18 0.00 0.00 52.55 52.17 1lfw s ASP 373 Cb -0.01 -0.25 0.03 0.00 1.07 0.00 0.00 42.92 43.76 1lfw s ASP 373 CO 0.07 0.21 0.25 0.54 1.18 0.00 0.00 175.17 177.43 1lfw s VAL 374 N -0.95 -0.01 0.14 -1.27 0.11 -1.26 -0.70 120.40 116.45 1lfw s VAL 374 Ca 0.13 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1lfw s VAL 374 Cb -0.10 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1lfw s VAL 374 CO 0.04 0.01 0.18 0.41 -3.33 0.00 0.00 175.10 172.42 1lfw n THR 375 N 3.23 0.00 -3.69 5.04 -1.04 -0.65 -4.96 114.28 112.22 1lfw n THR 375 Ca -0.15 -0.73 -0.12 0.00 -2.04 0.00 0.00 64.05 61.00 1lfw n THR 375 Cb 0.57 0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 69.45 1lfw n THR 375 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1lfw s TYR 376 N -3.97 -0.22 -0.40 -1.42 1.13 -1.26 -0.15 117.35 111.06 1lfw s TYR 376 Ca 0.12 0.14 0.02 0.00 -1.41 0.00 0.00 57.07 55.94 1lfw s TYR 376 Cb -0.00 0.18 0.12 0.00 -1.10 0.00 0.00 41.96 41.16 1lfw s TYR 376 CO 0.09 -0.56 0.17 1.21 -2.51 0.00 0.00 175.55 173.95 1lfw s ASN 377 N -2.04 4.10 0.00 -0.18 3.04 -1.26 -5.03 114.94 113.56 1lfw s ASN 377 Ca -0.05 -2.37 0.00 0.00 0.04 0.00 0.00 52.86 50.48 1lfw s ASN 377 Cb -0.01 -1.23 0.00 0.00 -1.54 0.00 0.00 41.25 38.47 1lfw s ASN 377 CO -0.03 -0.32 0.00 0.61 -3.04 0.00 0.00 177.10 174.32 1lfw n GLY 378 N 3.91 -1.52 3.61 1.21 0.00 -1.26 -4.91 105.19 106.23 1lfw n GLY 378 Ca 0.04 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 1lfw n GLY 378 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lfw s PHE 379 N -1.76 -0.07 -0.18 1.61 -0.12 -1.26 -4.58 117.98 111.62 1lfw s PHE 379 Ca 0.00 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 56.88 1lfw s PHE 379 Cb 0.00 0.53 0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1lfw s PHE 379 CO 0.00 -0.24 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.58 1lfw s GLU 380 N -2.41 2.33 0.81 1.99 2.02 -0.18 -4.98 118.70 118.28 1lfw s GLU 380 Ca 0.12 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 1lfw s GLU 380 Cb 0.03 -2.32 0.08 0.00 0.10 0.00 0.00 34.13 32.01 1lfw s GLU 380 CO -0.04 -0.31 1.09 -1.83 0.02 0.00 0.00 175.26 174.19 1lfw s GLU 381 N 1.41 1.92 0.70 1.61 1.03 -1.26 -0.37 118.70 123.73 1lfw s GLU 381 Ca 0.02 1.01 -0.16 0.00 0.03 0.00 0.00 54.97 55.87 1lfw s GLU 381 Cb -0.14 -1.87 0.02 0.00 -0.80 0.00 0.00 34.13 31.34 1lfw s GLU 381 CO -0.10 -1.84 1.27 -2.30 -1.33 0.00 0.00 175.26 170.96 1lfw n PRO 382 N -3.63 0.81 -4.44 -4.83 -0.02 -1.26 -4.43 135.00 117.20 1lfw n PRO 382 Ca 0.08 0.34 -0.22 0.00 -2.02 0.00 0.00 63.50 61.69 1lfw n PRO 382 Cb 0.54 -2.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 1lfw n PRO 382 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1lfw s HIS 383 N -1.62 1.10 -0.09 6.00 2.46 0.41 -4.87 115.29 118.67 1lfw s HIS 383 Ca 0.80 -0.32 -0.06 0.00 0.47 0.00 0.00 55.06 55.95 1lfw s HIS 383 Cb -0.35 -0.81 0.04 0.00 -0.13 0.00 0.00 32.58 31.33 1lfw s HIS 383 CO 0.44 -0.16 0.22 -0.47 -2.47 0.00 0.00 174.74 172.29 1lfw s TYR 384 N 0.40 -0.27 -0.17 3.88 5.04 -1.26 -0.30 117.35 124.68 1lfw s TYR 384 Ca -0.07 0.67 0.01 0.00 -2.44 0.00 0.00 57.07 55.23 1lfw s TYR 384 Cb -0.11 0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.24 1lfw s TYR 384 CO 0.01 -0.18 -0.17 0.08 -1.34 0.00 0.00 175.55 173.95 1lfw s VAL 385 N 0.87 2.40 0.25 3.14 1.01 0.86 -5.00 120.40 123.94 1lfw s VAL 385 Ca -0.06 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1lfw s VAL 385 Cb -0.08 -2.01 -0.14 0.00 0.00 0.00 0.00 36.38 34.15 1lfw s VAL 385 CO -0.05 0.52 1.20 -2.65 0.00 0.00 0.00 175.10 174.11 1lfw n PRO 386 N 4.32 1.60 0.26 2.72 -0.02 -1.26 -4.76 135.00 137.86 1lfw n PRO 386 Ca -0.20 0.57 0.17 0.00 -2.02 0.00 0.00 63.50 62.01 1lfw n PRO 386 Cb 0.51 -2.08 0.90 0.00 -0.02 0.00 0.00 33.50 32.81 1lfw n PRO 386 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1lfw h GLY 387 N 3.01 0.00 0.79 -1.23 0.00 -1.98 -0.97 103.07 102.69 1lfw h GLY 387 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1lfw h GLY 387 CO 0.67 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.07 1lfw n SER 388 N -3.73 0.00 -4.71 0.19 3.41 -1.26 -4.18 113.62 103.33 1lfw n SER 388 Ca -0.01 -1.18 -0.43 0.00 -0.26 0.00 0.00 58.87 57.00 1lfw n SER 388 Cb 0.21 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1lfw n SER 388 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1lfw n ASP 389 N -0.90 3.75 -0.26 4.04 -0.08 -0.37 -4.82 116.55 117.90 1lfw n ASP 389 Ca 0.18 1.09 0.07 0.00 -1.51 0.00 0.00 54.79 54.63 1lfw n ASP 389 Cb 0.08 -1.55 0.20 0.00 2.34 0.00 0.00 41.12 42.20 1lfw n ASP 389 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lfw h PRO 390 N 6.00 0.26 -0.64 -0.67 0.11 -1.90 -1.46 132.00 133.70 1lfw h PRO 390 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1lfw h PRO 390 Cb 1.22 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1lfw h PRO 390 CO 0.89 0.17 0.30 1.98 -0.21 0.00 0.00 178.00 181.14 1lfw h MET 391 N 0.27 0.93 -0.38 1.05 1.85 -1.95 -0.53 114.93 116.17 1lfw h MET 391 Ca 0.44 -0.14 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 1lfw h MET 391 Cb 0.79 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.63 1lfw h MET 391 CO -0.54 0.75 0.24 0.28 -0.40 0.00 0.00 176.91 177.24 1lfw h VAL 392 N 0.89 1.11 -0.75 -5.77 2.07 -1.60 0.23 116.25 112.43 1lfw h VAL 392 Ca 0.22 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1lfw h VAL 392 Cb 0.13 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1lfw h VAL 392 CO -0.03 0.11 0.36 1.56 0.02 0.00 0.00 177.57 179.59 1lfw h GLN 393 N 0.51 1.08 -0.12 1.57 1.08 -1.00 0.15 115.11 118.38 1lfw h GLN 393 Ca 0.14 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1lfw h GLN 393 Cb -0.02 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 1lfw h GLN 393 CO -0.03 0.85 0.07 1.15 -0.95 0.00 0.00 178.83 179.92 1lfw h THR 394 N 1.05 1.06 -0.64 -0.54 2.02 -0.60 -0.36 112.91 114.90 1lfw h THR 394 Ca 0.26 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1lfw h THR 394 Cb 0.12 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1lfw h THR 394 CO -0.03 0.05 0.25 -0.07 0.37 0.00 0.00 175.52 176.09 1lfw h LEU 395 N 0.13 0.90 -0.89 2.58 3.38 -0.73 -2.16 115.31 118.51 1lfw h LEU 395 Ca 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1lfw h LEU 395 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1lfw h LEU 395 CO -0.01 0.83 0.39 -0.07 0.09 0.00 0.00 178.44 179.68 1lfw h LEU 396 N 0.91 1.09 -1.20 1.67 3.38 -0.71 -0.98 115.31 119.47 1lfw h LEU 396 Ca 0.21 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1lfw h LEU 396 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1lfw h LEU 396 CO -0.02 0.92 0.01 0.11 0.09 0.00 0.00 178.44 179.55 1lfw h LYS 397 N 1.18 0.56 -0.20 1.13 1.79 -0.68 0.15 116.57 120.49 1lfw h LYS 397 Ca 0.28 -0.12 -0.10 0.00 -2.18 0.00 0.00 60.65 58.53 1lfw h LYS 397 Cb 0.12 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1lfw h LYS 397 CO -0.04 0.58 -0.28 0.28 -1.08 0.00 0.00 179.45 178.91 1lfw h VAL 398 N 0.53 1.33 -0.01 0.50 2.07 -0.88 -0.12 116.25 119.67 1lfw h VAL 398 Ca 0.11 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.16 1lfw h VAL 398 Cb 0.33 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1lfw h VAL 398 CO 0.01 0.46 -0.03 0.22 0.02 0.00 0.00 177.57 178.24 1lfw h TYR 399 N 0.23 -0.08 -0.77 1.57 3.20 -0.78 -1.05 116.97 119.29 1lfw h TYR 399 Ca 0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1lfw h TYR 399 Cb 0.85 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1lfw h TYR 399 CO 0.08 -0.05 0.46 0.93 -1.64 0.00 0.00 178.16 177.94 1lfw h GLU 400 N -0.05 1.05 -0.24 1.82 5.08 -0.64 -0.94 114.58 120.65 1lfw h GLU 400 Ca 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1lfw h GLU 400 Cb 0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1lfw h GLU 400 CO -0.04 0.74 0.12 -0.22 -1.00 0.00 0.00 179.01 178.61 1lfw h LYS 401 N 1.05 0.34 0.00 2.33 3.64 -0.72 0.26 116.57 123.48 1lfw h LYS 401 Ca 0.28 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1lfw h LYS 401 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1lfw h LYS 401 CO -0.05 0.33 -0.43 1.96 -2.27 0.00 0.00 179.45 179.00 1lfw h GLN 402 N 0.26 0.00 0.00 1.90 4.20 -1.06 -3.35 115.11 117.07 1lfw h GLN 402 Ca 0.08 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 1lfw h GLN 402 Cb 0.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1lfw h GLN 402 CO -0.01 0.43 -1.92 0.25 -0.67 0.00 0.00 178.83 176.90 1lfw n THR 403 N -3.25 0.58 -0.96 -0.54 -2.24 -0.37 -4.97 114.28 102.53 1lfw n THR 403 Ca 0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1lfw n THR 403 Cb 0.67 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1lfw n THR 403 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lfw n GLY 404 N 1.83 0.63 3.91 3.38 0.00 0.92 -5.00 105.19 110.86 1lfw n GLY 404 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1lfw n GLY 404 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lfw s LYS 405 N -0.23 3.62 0.30 1.61 1.02 -1.26 -5.04 119.74 119.76 1lfw s LYS 405 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1lfw s LYS 405 Cb 0.00 -2.57 -0.11 0.00 -0.52 0.00 0.00 37.83 34.63 1lfw s LYS 405 CO 0.00 0.11 1.51 -2.14 -0.92 0.00 0.00 175.35 173.90 1lfw s PRO 406 N -3.88 4.18 -0.15 -1.68 0.02 -1.26 -4.43 135.00 127.80 1lfw s PRO 406 Ca 0.45 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.89 1lfw s PRO 406 Cb -0.10 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1lfw s PRO 406 CO 0.33 -0.52 0.01 0.20 -0.33 0.00 0.00 177.00 176.69 1lfw s GLY 407 N 0.26 1.81 0.18 0.52 0.00 -1.26 -4.84 107.32 103.98 1lfw s GLY 407 Ca 0.59 -0.79 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 1lfw s GLY 407 CO 0.50 -0.12 0.51 -1.58 0.00 0.00 0.00 173.10 172.41 1lfw s HIS 408 N 0.13 -0.19 0.26 1.90 5.04 -1.26 -5.11 115.29 116.06 1lfw s HIS 408 Ca 0.02 -0.13 -0.29 0.00 -1.54 0.00 0.00 55.06 53.11 1lfw s HIS 408 Cb -0.13 0.39 -0.09 0.00 0.04 0.00 0.00 32.58 32.78 1lfw s HIS 408 CO 0.02 -0.87 1.22 -1.21 -2.34 0.00 0.00 174.74 171.56 1lfw s GLU 409 N -3.84 4.48 -0.01 2.88 2.02 -1.26 -4.10 118.70 118.86 1lfw s GLU 409 Ca 0.07 1.99 0.02 0.00 0.02 0.00 0.00 54.97 57.07 1lfw s GLU 409 Cb -0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1lfw s GLU 409 CO -0.06 -0.05 -0.06 0.08 0.02 0.00 0.00 175.26 175.19 1lfw s VAL 410 N -0.73 0.50 -0.10 2.63 1.01 -1.07 -5.00 120.40 117.65 1lfw s VAL 410 Ca 0.50 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1lfw s VAL 410 Cb -0.35 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1lfw s VAL 410 CO 0.43 0.16 -0.16 -0.69 0.00 0.00 0.00 175.10 174.85 1lfw s VAL 411 N 0.15 2.86 0.33 2.92 1.01 -1.26 -1.82 120.40 124.58 1lfw s VAL 411 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1lfw s VAL 411 Cb -0.06 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1lfw s VAL 411 CO -0.00 0.55 0.06 -0.51 0.00 0.00 0.00 175.10 175.19 1lfw s ILE 412 N 0.04 1.23 -0.64 2.22 2.07 -0.77 -4.96 121.20 120.38 1lfw s ILE 412 Ca -0.06 -2.00 0.24 0.00 -1.41 0.00 0.00 60.65 57.42 1lfw s ILE 412 Cb -0.15 -2.80 0.02 0.00 0.13 0.00 0.00 42.46 39.67 1lfw s ILE 412 CO 0.05 -0.00 1.28 0.61 -1.91 0.00 0.00 174.94 174.96 1lfw n GLY 413 N -0.70 -1.38 3.77 1.50 0.00 -1.26 -1.13 105.19 105.99 1lfw n GLY 413 Ca -0.02 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1lfw n GLY 413 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lfw s GLY 414 N -3.64 2.83 0.50 -0.02 0.00 -1.26 -4.58 107.32 101.14 1lfw s GLY 414 Ca 0.06 0.90 0.09 0.00 0.00 0.00 0.00 44.72 45.77 1lfw s GLY 414 CO 0.73 1.39 0.69 -0.32 0.00 0.00 0.00 173.10 175.59 1lfw s GLY 415 N -1.27 1.83 0.06 0.20 0.00 -1.26 -4.64 107.32 102.25 1lfw s GLY 415 Ca 0.58 -1.91 -0.27 0.00 0.00 0.00 0.00 44.72 43.12 1lfw s GLY 415 CO 0.35 -1.59 0.87 -1.08 0.00 0.00 0.00 173.10 171.66 1lfw s THR 416 N -2.52 0.00 0.61 0.90 -1.32 -1.26 -4.98 115.64 107.08 1lfw s THR 416 Ca 0.59 -0.20 0.44 0.00 -1.21 0.00 0.00 61.69 61.31 1lfw s THR 416 Cb -0.08 -1.28 0.44 0.00 -1.51 0.00 0.00 72.50 70.07 1lfw s THR 416 CO 0.36 0.00 2.34 1.88 -2.21 0.00 0.00 174.62 176.99 1lfw h TYR 417 N 2.00 0.00 -0.99 9.09 0.05 -1.94 -2.67 116.97 122.51 1lfw h TYR 417 Ca -0.24 0.00 0.25 0.00 0.05 0.00 0.00 58.73 58.79 1lfw h TYR 417 Cb 1.25 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.91 1lfw h TYR 417 CO 0.29 0.00 0.66 0.78 -1.05 0.00 0.00 178.16 178.84 1lfw h GLY 418 N 0.20 0.87 2.00 3.88 0.00 -1.87 -0.40 103.07 107.76 1lfw h GLY 418 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1lfw h GLY 418 CO 0.00 -0.06 0.00 0.07 0.00 0.00 0.00 176.54 176.55 1lfw h ARG 419 N 0.33 0.00 -0.00 4.80 0.11 -1.69 -1.75 114.38 116.17 1lfw h ARG 419 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 1lfw h ARG 419 Cb 1.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.54 1lfw h ARG 419 CO -0.20 0.00 -0.03 1.28 0.10 0.00 0.00 179.97 181.12 1lfw n LEU 420 N -2.36 0.19 -4.32 0.08 4.77 -0.16 -4.82 117.00 110.38 1lfw n LEU 420 Ca -0.00 0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.80 1lfw n LEU 420 Cb 0.11 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1lfw n LEU 420 CO 0.14 0.03 -0.55 -0.36 -1.33 0.00 0.00 177.39 175.33 1lfw s PHE 421 N -2.38 2.13 0.27 -1.77 0.40 -0.66 -5.03 117.98 110.93 1lfw s PHE 421 Ca 0.34 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1lfw s PHE 421 Cb 0.21 -1.24 0.54 0.00 0.51 0.00 0.00 43.02 43.04 1lfw s PHE 421 CO 0.44 0.16 1.60 1.49 0.70 0.00 0.00 175.22 179.60 1lfw h GLU 422 N 4.61 0.05 -0.01 0.44 4.81 -1.88 -1.91 114.58 120.70 1lfw h GLU 422 Ca -0.46 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1lfw h GLU 422 Cb 1.15 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.44 1lfw h GLU 422 CO 0.43 0.03 -0.61 0.54 -0.73 0.00 0.00 179.01 178.67 1lfw n ARG 423 N -5.45 1.28 -2.32 1.92 1.74 -1.26 -4.85 116.66 107.72 1lfw n ARG 423 Ca 0.17 -3.05 -0.41 0.00 -0.77 0.00 0.00 57.85 53.79 1lfw n ARG 423 Cb 0.57 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 1lfw n ARG 423 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1lfw s GLY 424 N -2.99 2.88 0.25 -0.13 0.00 -0.72 -4.65 107.32 101.96 1lfw s GLY 424 Ca 0.37 1.04 0.01 0.00 0.00 0.00 0.00 44.72 46.14 1lfw s GLY 424 CO -0.09 1.77 0.10 -1.34 0.00 0.00 0.00 173.10 173.54 1lfw s VAL 425 N -0.75 0.47 -0.02 1.40 -7.23 -1.03 -4.46 120.40 108.77 1lfw s VAL 425 Ca 0.49 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 1lfw s VAL 425 Cb -0.35 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 1lfw s VAL 425 CO 0.43 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 175.09 1lfw s ALA 426 N -3.82 2.74 -0.11 1.32 0.00 -0.59 -0.78 121.76 120.53 1lfw s ALA 426 Ca 0.38 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1lfw s ALA 426 Cb 0.08 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.28 1lfw s ALA 426 CO 0.13 0.57 0.10 0.12 0.00 0.00 0.00 175.76 176.69 1lfw s PHE 427 N -0.83 0.05 0.00 0.00 5.99 0.20 -0.87 117.98 122.51 1lfw s PHE 427 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 56.93 57.15 1lfw s PHE 427 Cb -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 43.02 42.39 1lfw s PHE 427 CO 0.03 -0.37 0.00 0.41 -0.00 0.00 0.00 175.22 175.29 1lfw n GLY 428 N 5.30 0.08 0.00 13.12 0.00 -0.85 -4.17 105.19 118.67 1lfw n GLY 428 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1lfw n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfw n ALA 429 N 1.00 0.00 -1.77 4.61 0.00 -1.26 -1.93 120.51 121.16 1lfw n ALA 429 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1lfw n ALA 429 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1lfw n ALA 429 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1lfw s GLN 430 N 0.00 4.34 0.64 0.00 -1.52 -0.93 -4.81 119.66 117.38 1lfw s GLN 430 Ca 0.00 1.64 -0.15 0.00 -1.95 0.00 0.00 55.36 54.91 1lfw s GLN 430 Cb 0.00 -2.80 -0.01 0.00 -0.22 0.00 0.00 33.01 29.98 1lfw s GLN 430 CO 0.00 -0.01 1.09 -1.25 -0.25 0.00 0.00 175.29 174.86 1lfw s PRO 431 N -2.07 2.96 0.49 2.91 0.04 -1.26 -1.08 135.00 136.99 1lfw s PRO 431 Ca 0.53 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1lfw s PRO 431 Cb -0.26 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1lfw s PRO 431 CO 0.33 -1.11 1.30 -2.00 0.04 0.00 0.00 177.00 175.57 1lfw s GLU 432 N -4.19 3.49 -0.34 4.56 2.12 -1.25 -1.69 118.70 121.40 1lfw s GLU 432 Ca 0.65 2.11 0.00 0.00 0.36 0.00 0.00 54.97 58.09 1lfw s GLU 432 Cb -0.18 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1lfw s GLU 432 CO 0.41 -0.87 0.00 0.09 -0.54 0.00 0.00 175.26 174.35 1lfw n ASN 433 N -0.62 -5.72 -4.84 -1.70 3.02 -1.26 -4.96 115.26 99.16 1lfw n ASN 433 Ca 0.08 0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.41 1lfw n ASN 433 Cb 0.45 -3.51 0.06 0.00 -0.61 0.00 0.00 39.78 36.18 1lfw n ASN 433 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1lfw s GLY 434 N -2.13 1.63 0.36 7.41 0.00 -0.68 -4.99 107.32 108.92 1lfw s GLY 434 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.23 1lfw s GLY 434 CO 0.00 0.16 1.21 2.56 0.00 0.00 0.00 173.10 177.03 1lfw s PRO 435 N -5.23 4.23 -0.62 2.90 0.04 -1.26 -4.96 135.00 130.10 1lfw s PRO 435 Ca 0.59 1.98 -0.22 0.00 0.04 0.00 0.00 61.00 63.39 1lfw s PRO 435 Cb -0.13 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.59 1lfw s PRO 435 CO 0.53 -0.21 0.91 1.41 0.04 0.00 0.00 177.00 179.68 1lfw s MET 436 N -2.00 3.15 0.00 4.56 1.75 -1.26 -4.82 119.30 120.68 1lfw s MET 436 Ca 0.52 -0.78 0.03 0.00 -1.25 0.00 0.00 55.69 54.22 1lfw s MET 436 Cb -0.34 -4.19 0.08 0.00 2.84 0.00 0.00 34.83 33.22 1lfw s MET 436 CO 0.44 -1.68 1.01 1.33 -0.65 0.00 0.00 175.02 175.48 1lfw n VAL 437 N 5.91 0.87 -2.08 10.11 0.24 -1.26 -4.82 118.33 127.31 1lfw n VAL 437 Ca -0.04 -0.93 -0.39 0.00 -2.04 0.00 0.00 64.34 60.94 1lfw n VAL 437 Cb 0.45 0.57 -0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1lfw n VAL 437 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1lfw s MET 438 N -0.90 3.93 0.00 7.34 -1.94 -1.26 -1.89 119.30 124.57 1lfw s MET 438 Ca 0.06 2.11 0.00 0.00 -1.71 0.00 0.00 55.69 56.15 1lfw s MET 438 Cb 0.03 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.16 1lfw s MET 438 CO 0.04 -0.51 0.00 0.72 -0.01 0.00 0.00 175.02 175.26 1lfw n HIS 439 N 0.04 0.00 -1.99 -0.03 8.25 -1.26 -3.54 115.22 116.69 1lfw n HIS 439 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1lfw n HIS 439 Cb 0.44 -0.48 0.06 0.00 1.12 0.00 0.00 29.99 31.13 1lfw n HIS 439 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lfw s ALA 440 N -2.21 2.91 0.43 -1.41 0.00 -0.79 -4.81 121.76 115.88 1lfw s ALA 440 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.21 1lfw s ALA 440 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 1lfw s ALA 440 CO 0.00 -1.24 1.12 0.00 0.00 0.00 0.00 175.76 175.64 1lfw s ALA 441 N -3.36 3.03 -1.41 0.00 0.00 -1.26 -2.96 121.76 115.81 1lfw s ALA 441 Ca 0.59 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 1lfw s ALA 441 Cb -0.11 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1lfw s ALA 441 CO 0.50 -0.48 1.04 0.09 0.00 0.00 0.00 175.76 176.90 1lfw n ASN 442 N -0.30 -4.75 -4.76 0.00 3.02 -1.26 -4.92 115.26 102.29 1lfw n ASN 442 Ca 0.06 -0.67 -0.39 0.00 -0.03 0.00 0.00 54.58 53.55 1lfw n ASN 442 Cb 0.49 -4.49 0.03 0.00 -0.61 0.00 0.00 39.78 35.19 1lfw n ASN 442 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1lfw s GLU 443 N -6.30 3.43 0.18 3.52 2.12 -1.15 -4.86 118.70 115.64 1lfw s GLU 443 Ca 0.49 2.26 -0.16 0.00 0.36 0.00 0.00 54.97 57.92 1lfw s GLU 443 Cb -0.23 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.74 1lfw s GLU 443 CO 0.78 -0.96 0.46 -0.59 -0.54 0.00 0.00 175.26 174.41 1lfw s PHE 444 N -1.28 -0.02 -0.01 5.30 -0.12 -1.26 -1.47 117.98 119.12 1lfw s PHE 444 Ca 0.66 -0.33 0.02 0.00 -0.05 0.00 0.00 56.93 57.23 1lfw s PHE 444 Cb -0.40 0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 42.27 1lfw s PHE 444 CO 0.50 -0.86 -0.07 1.41 -0.05 0.00 0.00 175.22 176.15 1lfw s MET 445 N -3.89 0.64 0.23 1.99 1.75 -0.70 -4.37 119.30 114.94 1lfw s MET 445 Ca 0.10 -0.24 -0.30 0.00 -1.25 0.00 0.00 55.69 54.01 1lfw s MET 445 Cb 0.00 -0.62 -0.09 0.00 2.84 0.00 0.00 34.83 36.96 1lfw s MET 445 CO -0.03 0.12 1.12 -1.64 -0.65 0.00 0.00 175.02 173.94 1lfw s MET 446 N 0.02 4.60 0.24 4.11 -1.94 -1.26 -0.65 119.30 124.41 1lfw s MET 446 Ca 0.00 1.79 -0.05 0.00 -1.71 0.00 0.00 55.69 55.72 1lfw s MET 446 Cb -0.05 -3.23 0.33 0.00 2.01 0.00 0.00 34.83 33.89 1lfw s MET 446 CO -0.00 0.11 1.86 1.25 -0.01 0.00 0.00 175.02 178.23 1lfw h LEU 447 N 4.50 0.88 -1.28 -0.03 5.85 -0.96 -1.04 115.31 123.22 1lfw h LEU 447 Ca -0.46 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1lfw h LEU 447 Cb 1.21 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1lfw h LEU 447 CO 0.70 0.57 0.49 -2.24 -0.34 0.00 0.00 178.44 177.62 1lfw h ASP 448 N 1.02 0.84 0.43 1.25 3.04 -1.91 -0.51 116.42 120.57 1lfw h ASP 448 Ca 0.37 -0.02 -0.15 0.00 -3.24 0.00 0.00 57.03 54.00 1lfw h ASP 448 Cb 0.13 -0.21 -0.01 0.00 -1.04 0.00 0.00 39.33 38.20 1lfw h ASP 448 CO -0.16 0.60 -0.64 0.44 -2.04 0.00 0.00 179.24 177.44 1lfw h ASP 449 N 0.98 0.22 -0.15 4.15 3.32 -1.63 0.33 116.42 123.65 1lfw h ASP 449 Ca 0.27 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1lfw h ASP 449 Cb -0.09 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1lfw h ASP 449 CO -0.06 0.80 -0.03 0.25 -1.72 0.00 0.00 179.24 178.48 1lfw h LEU 450 N 0.14 0.28 -0.38 1.55 5.85 -0.20 -1.23 115.31 121.31 1lfw h LEU 450 Ca -0.01 -0.36 -0.13 0.00 0.84 0.00 0.00 57.88 58.23 1lfw h LEU 450 Cb 1.15 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1lfw h LEU 450 CO 0.10 0.57 -0.26 0.40 -0.34 0.00 0.00 178.44 178.91 1lfw h ILE 451 N -0.02 1.28 -1.00 4.05 1.08 -1.08 -2.48 117.51 119.34 1lfw h ILE 451 Ca 0.04 -1.41 0.02 0.00 -0.39 0.00 0.00 64.86 63.11 1lfw h ILE 451 Cb 0.44 1.35 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 1lfw h ILE 451 CO 0.01 0.47 0.66 0.25 -0.69 0.00 0.00 178.15 178.86 1lfw h LEU 452 N 0.66 1.13 -1.06 1.44 5.85 -0.93 -2.05 115.31 120.36 1lfw h LEU 452 Ca 0.08 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1lfw h LEU 452 Cb 0.83 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1lfw h LEU 452 CO 0.07 0.81 -0.34 0.28 -0.34 0.00 0.00 178.44 178.92 1lfw h SER 453 N 1.33 0.24 -0.71 1.25 0.02 -1.03 -1.13 113.55 113.52 1lfw h SER 453 Ca 0.38 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1lfw h SER 453 Cb -0.11 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1lfw h SER 453 CO -0.09 0.57 0.46 0.40 -1.14 0.00 0.00 176.83 177.03 1lfw h ILE 454 N 0.20 1.16 -0.37 3.27 2.04 -0.91 0.18 117.51 123.08 1lfw h ILE 454 Ca 0.03 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1lfw h ILE 454 Cb 0.70 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1lfw h ILE 454 CO 0.05 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.33 1lfw h ALA 455 N 1.27 0.51 -0.33 1.87 0.00 -1.38 -1.01 119.26 120.19 1lfw h ALA 455 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1lfw h ALA 455 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1lfw h ALA 455 CO -0.07 0.32 0.13 0.82 0.00 0.00 0.00 179.25 180.45 1lfw h ILE 456 N 0.50 1.19 -0.54 0.00 2.04 -0.80 -1.77 117.51 118.13 1lfw h ILE 456 Ca 0.10 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1lfw h ILE 456 Cb 0.54 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1lfw h ILE 456 CO 0.03 0.20 0.01 1.88 0.00 0.00 0.00 178.15 180.27 1lfw h TYR 457 N 0.39 0.97 -0.43 1.37 0.05 -0.61 0.17 116.97 118.88 1lfw h TYR 457 Ca 0.11 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1lfw h TYR 457 Cb 0.19 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1lfw h TYR 457 CO -0.00 0.87 0.21 0.00 -1.05 0.00 0.00 178.16 178.19 1lfw h ALA 458 N 1.16 0.56 -0.23 3.88 0.00 -1.00 0.17 119.26 123.81 1lfw h ALA 458 Ca 0.16 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1lfw h ALA 458 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lfw h ALA 458 CO 0.02 0.12 -0.44 1.49 0.00 0.00 0.00 179.25 180.44 1lfw h GLU 459 N 0.56 0.56 -0.40 0.00 4.81 -1.03 -0.92 114.58 118.16 1lfw h GLU 459 Ca 0.15 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1lfw h GLU 459 Cb 0.12 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1lfw h GLU 459 CO -0.02 0.90 0.00 0.00 -0.73 0.00 0.00 179.01 179.16 1lfw h ALA 460 N 1.06 0.54 -0.61 2.92 0.00 -0.37 0.13 119.26 122.92 1lfw h ALA 460 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1lfw h ALA 460 Cb 0.96 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1lfw h ALA 460 CO 0.09 0.31 0.08 0.82 0.00 0.00 0.00 179.25 180.55 1lfw h ILE 461 N 0.53 1.26 0.28 0.00 2.04 -0.57 -0.88 117.51 120.17 1lfw h ILE 461 Ca 0.11 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1lfw h ILE 461 Cb 0.47 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1lfw h ILE 461 CO 0.02 0.38 -0.13 0.22 0.00 0.00 0.00 178.15 178.64 1lfw h TYR 462 N 0.95 -0.34 -0.59 1.37 3.20 -0.88 -0.82 116.97 119.84 1lfw h TYR 462 Ca 0.19 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1lfw h TYR 462 Cb 0.44 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1lfw h TYR 462 CO 0.03 -0.14 0.39 0.93 -1.64 0.00 0.00 178.16 177.73 1lfw h GLU 463 N -0.47 0.77 0.00 1.82 4.39 -0.49 0.30 114.58 120.90 1lfw h GLU 463 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1lfw h GLU 463 Cb 0.35 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1lfw h GLU 463 CO 0.06 0.51 0.00 -0.07 -1.16 0.00 0.00 179.01 178.35 1lfw h LEU 464 N 0.79 0.00 -1.79 1.33 3.38 -0.90 -3.35 115.31 114.76 1lfw h LEU 464 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1lfw h LEU 464 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1lfw h LEU 464 CO -0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.83 1lfw n THR 465 N -2.94 0.41 0.40 0.22 -2.24 -0.34 -4.62 114.28 105.16 1lfw n THR 465 Ca 0.04 -0.68 0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1lfw n THR 465 Cb 0.48 0.82 0.42 0.00 -2.10 0.00 0.00 70.33 69.95 1lfw n THR 465 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1lfw h LYS 466 N 0.00 0.00 -6.04 -0.78 2.10 -1.09 0.37 116.57 111.13 1lfw h LYS 466 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 1lfw h LYS 466 Cb 0.23 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.48 1lfw h LYS 466 CO 0.00 0.00 -0.51 0.16 -2.00 0.00 0.00 179.45 177.10 1lfw s ASP 467 N -5.15 4.63 0.00 7.07 -4.77 -1.26 -4.71 116.67 112.49 1lfw s ASP 467 Ca 0.06 -0.87 0.00 0.00 -3.30 0.00 0.00 52.55 48.45 1lfw s ASP 467 Cb 0.09 -0.63 0.00 0.00 -1.09 0.00 0.00 42.92 41.29 1lfw s ASP 467 CO 0.56 -0.41 0.00 -0.62 0.70 0.00 0.00 175.17 175.40