#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3o n GLU 35 N 0.00 3.02 -0.32 1.97 4.07 -1.26 -4.56 120.64 123.56 2o3o n GLU 35 Ca 0.00 0.00 0.20 0.00 -0.06 0.00 0.00 57.16 57.30 2o3o n GLU 35 Cb 0.00 -0.93 0.46 0.00 -0.06 0.00 0.00 31.44 30.91 2o3o n GLU 35 CO 0.00 0.00 0.00 0.10 -0.06 0.00 0.00 177.13 177.17 2o3o h TYR 36 N 0.00 0.76 0.01 4.31 -0.00 -2.05 -1.10 116.97 118.90 2o3o h TYR 36 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 58.73 58.58 2o3o h TYR 36 Cb 0.85 -0.22 0.01 0.00 0.00 0.00 0.00 36.73 37.38 2o3o h TYR 36 CO 0.00 0.11 -0.67 1.49 -0.00 0.00 0.00 178.16 179.08 2o3o h GLU 37 N 0.49 0.44 -0.96 0.10 4.57 -1.98 0.40 114.58 117.63 2o3o h GLU 37 Ca 0.58 -0.49 0.23 0.00 -1.18 0.00 0.00 59.36 58.51 2o3o h GLU 37 Cb 1.31 0.14 -0.12 0.00 -0.16 0.00 0.00 28.75 29.92 2o3o h GLU 37 CO -0.32 1.14 0.53 0.28 -1.18 0.00 0.00 179.01 179.46 2o3o h VAL 38 N -0.06 0.53 0.00 0.32 2.07 -1.66 -2.12 116.25 115.33 2o3o h VAL 38 Ca -0.09 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2o3o h VAL 38 Cb 1.39 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2o3o h VAL 38 CO 0.13 0.10 -0.00 0.40 0.02 0.00 0.00 177.57 178.22 2o3o h ILE 39 N 0.53 1.68 -0.98 4.57 1.08 -1.14 -2.86 117.51 120.40 2o3o h ILE 39 Ca 0.61 -2.14 0.26 0.00 -0.39 0.00 0.00 64.86 63.20 2o3o h ILE 39 Cb 1.14 3.12 -0.06 0.00 -3.07 0.00 0.00 36.82 37.95 2o3o h ILE 39 CO -0.48 0.55 0.68 0.11 -0.69 0.00 0.00 178.15 178.31 2o3o h LYS 40 N -0.93 0.17 0.00 2.37 1.57 0.20 0.05 116.57 119.99 2o3o h LYS 40 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2o3o h LYS 40 Cb 0.90 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2o3o h LYS 40 CO 0.00 0.11 -1.41 0.27 -0.57 0.00 0.00 179.45 177.86 2o3o n ASN 41 N -4.38 0.54 0.06 0.86 0.23 -0.83 -2.75 115.26 108.98 2o3o n ASN 41 Ca 0.21 -0.47 0.03 0.00 -0.53 0.00 0.00 54.58 53.82 2o3o n ASN 41 Cb 0.94 1.37 0.40 0.00 -2.08 0.00 0.00 39.78 40.40 2o3o n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2o3o h ASP 42 N 0.00 0.36 -0.09 0.53 5.19 -0.80 0.73 116.42 122.35 2o3o h ASP 42 Ca 0.00 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 2o3o h ASP 42 Cb 0.74 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2o3o h ASP 42 CO 0.00 0.39 -0.02 0.58 -3.12 0.00 0.00 179.24 177.06 2o3o h VAL 43 N 0.40 1.29 -0.56 -1.35 2.07 -1.25 -2.46 116.25 114.38 2o3o h VAL 43 Ca 0.09 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.77 2o3o h VAL 43 Cb 0.18 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2o3o h VAL 43 CO -0.00 0.27 0.12 -0.08 0.02 0.00 0.00 177.57 177.89 2o3o h GLU 44 N -0.15 0.25 0.00 1.57 4.57 -1.25 -1.51 114.58 118.06 2o3o h GLU 44 Ca 0.02 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2o3o h GLU 44 Cb 0.43 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2o3o h GLU 44 CO 0.01 0.16 -0.12 0.45 -1.18 0.00 0.00 179.01 178.33 2o3o h HIS 45 N 0.25 0.00 -0.25 0.92 3.86 -0.89 -1.89 115.15 117.16 2o3o h HIS 45 Ca 0.29 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.36 2o3o h HIS 45 Cb 0.41 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 2o3o h HIS 45 CO -0.24 0.12 0.18 -0.25 0.86 0.00 0.00 177.93 178.60 2o3o n ASP 46 N -3.34 3.89 0.00 2.45 10.43 -0.57 -2.77 116.55 126.64 2o3o n ASP 46 Ca -0.00 -2.49 0.00 0.00 2.57 0.00 0.00 54.79 54.86 2o3o n ASP 46 Cb 0.33 -0.71 0.00 0.00 1.84 0.00 0.00 41.12 42.57 2o3o n ASP 46 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2o3o n LYS 48 N 0.29 0.00 0.17 -1.24 4.01 -0.71 -1.56 118.16 119.12 2o3o n LYS 48 Ca 0.15 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 58.06 2o3o n LYS 48 Cb 0.73 0.00 0.63 0.00 -0.51 0.00 0.00 35.03 35.88 2o3o n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2o3o h ALA 49 N 0.00 2.09 -0.37 7.82 0.00 -1.79 0.21 119.26 127.21 2o3o h ALA 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2o3o h ALA 49 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2o3o h ALA 49 CO 0.00 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 178.87 2o3o n ASP 50 N -4.50 2.27 -3.34 0.00 9.92 -0.60 -4.99 116.55 115.31 2o3o n ASP 50 Ca 0.01 -1.93 -0.22 0.00 -0.53 0.00 0.00 54.79 52.11 2o3o n ASP 50 Cb 0.21 -0.25 0.02 0.00 -0.64 0.00 0.00 41.12 40.46 2o3o n ASP 50 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2o3o n HIS 51 N 0.73 -2.80 -4.90 1.24 8.25 0.73 -0.44 115.22 118.03 2o3o n HIS 51 Ca 0.15 1.14 -0.27 0.00 -0.26 0.00 0.00 57.72 58.48 2o3o n HIS 51 Cb 0.38 -2.94 -0.16 0.00 1.12 0.00 0.00 29.99 28.38 2o3o n HIS 51 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2o3o s ILE 52 N -2.34 1.53 -0.13 1.59 1.01 -1.26 -3.43 121.20 118.17 2o3o s ILE 52 Ca 0.21 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 2o3o s ILE 52 Cb -0.03 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2o3o s ILE 52 CO 0.84 0.44 0.00 -0.89 0.00 0.00 0.00 174.94 175.33 2o3o s THR 53 N 0.02 4.29 -0.27 2.92 2.01 -0.96 -4.77 115.64 118.88 2o3o s THR 53 Ca -0.04 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 2o3o s THR 53 Cb -0.12 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2o3o s THR 53 CO 0.02 0.54 0.10 -0.31 -0.69 0.00 0.00 174.62 174.28 2o3o s TYR 54 N -0.25 3.12 -0.85 4.92 1.51 -1.26 -1.70 117.35 122.84 2o3o s TYR 54 Ca 0.06 -0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 55.45 2o3o s TYR 54 Cb -0.12 -2.28 0.19 0.00 -0.11 0.00 0.00 41.96 39.64 2o3o s TYR 54 CO 0.02 -0.40 0.87 -1.21 -1.11 0.00 0.00 175.55 173.72 2o3o s GLU 55 N 1.61 3.57 -1.01 -0.62 2.02 -1.23 -4.68 118.70 118.36 2o3o s GLU 55 Ca 0.05 -2.19 -0.00 0.00 0.02 0.00 0.00 54.97 52.86 2o3o s GLU 55 Cb -0.16 -4.57 -0.00 0.00 0.10 0.00 0.00 34.13 29.49 2o3o s GLU 55 CO 0.04 -1.45 0.84 0.41 0.02 0.00 0.00 175.26 175.12 2o3o n GLY 56 N 4.52 -0.26 3.78 -1.39 0.00 -1.26 -4.88 105.19 105.69 2o3o n GLY 56 Ca 0.16 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2o3o n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o3o s LEU 57 N -5.65 4.34 0.04 0.99 1.43 -1.26 -5.04 118.68 113.52 2o3o s LEU 57 Ca 0.02 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 2o3o s LEU 57 Cb -0.00 -2.42 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 2o3o s LEU 57 CO 0.62 0.21 1.70 0.21 0.23 0.00 0.00 176.35 179.31 2o3o s ASN 58 N -0.22 6.60 0.35 2.29 2.47 -1.26 -4.90 114.94 120.26 2o3o s ASN 58 Ca 0.19 2.45 0.23 0.00 0.42 0.00 0.00 52.86 56.15 2o3o s ASN 58 Cb -0.14 -2.55 0.23 0.00 -1.45 0.00 0.00 41.25 37.33 2o3o s ASN 58 CO 0.07 -0.92 1.41 0.11 -3.72 0.00 0.00 177.10 174.05 2o3o h LYS 59 N 8.91 0.00 -6.78 0.43 1.57 -1.97 -2.99 116.57 115.73 2o3o h LYS 59 Ca -0.43 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.85 2o3o h LYS 59 Cb 1.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.52 2o3o h LYS 59 CO 0.94 0.00 0.45 -1.21 -0.57 0.00 0.00 179.45 179.05 2o3o s GLU 60 N -3.26 4.69 0.65 3.15 0.41 -1.26 -4.85 118.70 118.22 2o3o s GLU 60 Ca 0.04 1.73 -0.15 0.00 -0.41 0.00 0.00 54.97 56.18 2o3o s GLU 60 Cb 0.07 -3.22 -0.01 0.00 -1.78 0.00 0.00 34.13 29.20 2o3o s GLU 60 CO 0.71 0.27 1.10 0.00 -0.49 0.00 0.00 175.26 176.86 2o3o s ALA 61 N -1.10 2.52 0.10 5.21 0.00 -1.26 -4.64 121.76 122.59 2o3o s ALA 61 Ca 0.44 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.94 2o3o s ALA 61 Cb -0.30 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2o3o s ALA 61 CO 0.39 -1.19 -0.08 0.95 0.00 0.00 0.00 175.76 175.83 2o3o s THR 62 N -2.37 0.77 0.48 0.00 -4.23 -1.26 -5.04 115.64 104.00 2o3o s THR 62 Ca 0.66 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 59.30 2o3o s THR 62 Cb -0.20 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2o3o s THR 62 CO 0.41 -0.77 0.77 -1.61 -0.54 0.00 0.00 174.62 172.88 2o3o s GLU 63 N -3.47 3.42 0.17 3.99 0.41 -1.26 -1.20 118.70 120.76 2o3o s GLU 63 Ca 0.10 0.07 -0.24 0.00 -0.41 0.00 0.00 54.97 54.48 2o3o s GLU 63 Cb 0.02 -2.40 0.06 0.00 -1.78 0.00 0.00 34.13 30.03 2o3o s GLU 63 CO -0.03 -0.24 0.82 0.20 -0.49 0.00 0.00 175.26 175.51 2o3o s GLY 64 N -4.13 -0.27 0.07 -1.39 0.00 0.32 -4.83 107.32 97.08 2o3o s GLY 64 Ca 0.48 0.16 0.07 0.00 0.00 0.00 0.00 44.72 45.42 2o3o s GLY 64 CO 0.43 0.04 -0.18 -0.19 0.00 0.00 0.00 173.10 173.20 2o3o s TYR 65 N -3.54 1.60 -0.17 1.90 1.51 -1.26 0.12 117.35 117.49 2o3o s TYR 65 Ca 0.09 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 2o3o s TYR 65 Cb -0.03 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2o3o s TYR 65 CO 0.00 0.12 0.46 1.03 -1.11 0.00 0.00 175.55 176.05 2o3o s ARG 66 N -1.52 4.23 0.10 -0.62 0.52 0.23 -4.25 118.95 117.64 2o3o s ARG 66 Ca 0.04 0.34 0.05 0.00 -0.52 0.00 0.00 55.73 55.65 2o3o s ARG 66 Cb -0.09 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 2o3o s ARG 66 CO 0.03 -0.01 0.03 0.42 0.02 0.00 0.00 175.30 175.79 2o3o s ILE 67 N 1.19 4.15 -0.08 1.52 -1.09 -1.11 -1.52 121.20 124.26 2o3o s ILE 67 Ca 0.23 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2o3o s ILE 67 Cb -0.15 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2o3o s ILE 67 CO 0.09 0.08 -0.14 0.42 -1.23 0.00 0.00 174.94 174.16 2o3o s THR 68 N -1.41 1.27 0.10 2.92 -4.23 -0.13 -0.60 115.64 113.57 2o3o s THR 68 Ca 0.27 -0.54 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2o3o s THR 68 Cb -0.11 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 2o3o s THR 68 CO 0.20 0.39 -0.15 0.00 -0.54 0.00 0.00 174.62 174.52 2o3o s ALA 69 N 0.74 1.38 0.14 3.99 0.00 -0.54 -0.98 121.76 126.49 2o3o s ALA 69 Ca -0.13 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 2o3o s ALA 69 Cb -0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 2o3o s ALA 69 CO 0.03 0.14 0.38 -0.80 0.00 0.00 0.00 175.76 175.51 2o3o s ASN 70 N -2.12 6.49 0.02 0.00 0.01 0.96 -0.57 114.94 119.73 2o3o s ASN 70 Ca 0.04 0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 52.48 2o3o s ASN 70 Cb -0.07 -2.09 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 2o3o s ASN 70 CO 0.03 0.05 1.18 -1.58 -1.51 0.00 0.00 177.10 175.27 2o3o s GLN 71 N -2.66 4.42 0.24 -0.60 2.00 -0.99 -0.77 119.66 121.30 2o3o s GLN 71 Ca 0.41 1.71 -0.30 0.00 -2.00 0.00 0.00 55.36 55.18 2o3o s GLN 71 Cb -0.12 -3.42 -0.10 0.00 0.80 0.00 0.00 33.01 30.17 2o3o s GLN 71 CO 0.25 -0.30 1.41 0.21 -0.50 0.00 0.00 175.29 176.36 2o3o s LYS 72 N 1.42 4.29 -0.35 1.67 2.47 0.80 -4.87 119.74 125.16 2o3o s LYS 72 Ca 0.57 2.25 -0.01 0.00 -1.56 0.00 0.00 55.97 57.22 2o3o s LYS 72 Cb -0.27 -3.12 0.09 0.00 -1.46 0.00 0.00 37.83 33.06 2o3o s LYS 72 CO 0.27 -0.38 0.09 0.45 0.16 0.00 0.00 175.35 175.94 2o3o s SER 73 N 0.32 5.01 0.00 1.43 0.15 -1.26 -4.40 113.70 114.95 2o3o s SER 73 Ca 0.58 -1.78 -0.30 0.00 0.70 0.00 0.00 55.95 55.15 2o3o s SER 73 Cb -0.41 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 62.11 2o3o s SER 73 CO 0.43 -0.40 1.29 -0.36 1.20 0.00 0.00 173.24 175.39 2o3o s PHE 74 N 1.13 3.12 0.63 3.44 0.40 -0.14 -4.97 117.98 121.59 2o3o s PHE 74 Ca 0.04 1.06 -0.06 0.00 -0.60 0.00 0.00 56.93 57.37 2o3o s PHE 74 Cb -0.21 -3.53 0.03 0.00 0.51 0.00 0.00 43.02 39.81 2o3o s PHE 74 CO -0.04 -1.83 0.94 -1.54 0.70 0.00 0.00 175.22 173.46 2o3o s SER 75 N 1.51 5.32 0.34 1.36 1.04 -1.26 -4.49 113.70 117.52 2o3o s SER 75 Ca 0.60 0.62 0.05 0.00 0.48 0.00 0.00 55.95 57.71 2o3o s SER 75 Cb -0.29 -1.49 0.71 0.00 0.10 0.00 0.00 66.02 65.04 2o3o s SER 75 CO 0.26 -1.25 1.90 0.50 0.98 0.00 0.00 173.24 175.62 2o3o h LYS 76 N -0.33 0.79 0.10 4.02 3.64 -1.95 -1.91 116.57 120.93 2o3o h LYS 76 Ca -0.45 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 58.57 2o3o h LYS 76 Cb 1.28 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2o3o h LYS 76 CO 0.60 0.52 -1.62 0.93 -2.27 0.00 0.00 179.45 177.62 2o3o h GLU 77 N 0.82 0.20 0.06 1.90 5.08 -1.98 -2.76 114.58 117.90 2o3o h GLU 77 Ca 0.40 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2o3o h GLU 77 Cb 0.46 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2o3o h GLU 77 CO -0.17 1.02 -0.08 0.93 -1.00 0.00 0.00 179.01 179.71 2o3o h GLU 78 N 0.06 -0.16 0.22 2.33 5.08 -1.92 -2.36 114.58 117.82 2o3o h GLU 78 Ca -0.27 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2o3o h GLU 78 Cb 2.01 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 2o3o h GLU 78 CO 0.14 -0.11 -0.25 0.82 -1.00 0.00 0.00 179.01 178.61 2o3o h ILE 79 N -0.17 0.46 0.00 3.13 2.04 -1.37 -2.34 117.51 119.26 2o3o h ILE 79 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2o3o h ILE 79 Cb 0.18 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2o3o h ILE 79 CO -0.04 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.27 2o3o n GLU 80 N -5.37 0.77 0.00 2.37 0.28 -1.04 -2.02 120.64 115.63 2o3o n GLU 80 Ca -0.08 0.01 0.15 0.00 -0.16 0.00 0.00 57.16 57.08 2o3o n GLU 80 Cb 0.28 -1.50 0.81 0.00 1.43 0.00 0.00 31.44 32.46 2o3o n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2o3o n ALA 81 N -1.09 2.54 -2.59 -1.84 0.00 -0.88 -4.67 120.51 111.98 2o3o n ALA 81 Ca 0.20 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2o3o n ALA 81 Cb 0.14 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 2o3o n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o3o s LEU 82 N -2.42 3.75 0.20 0.00 1.43 -0.86 -4.98 118.68 115.80 2o3o s LEU 82 Ca 0.34 -1.98 -0.32 0.00 -1.03 0.00 0.00 54.13 51.14 2o3o s LEU 82 Cb 0.21 -2.56 -0.15 0.00 0.03 0.00 0.00 46.19 43.72 2o3o s LEU 82 CO 0.44 -1.32 1.31 1.17 0.23 0.00 0.00 176.35 178.17 2o3o n LYS 83 N 8.50 1.63 -2.47 1.70 4.81 -1.26 -2.57 118.16 128.49 2o3o n LYS 83 Ca 0.40 0.58 -0.20 0.00 -0.87 0.00 0.00 58.31 58.22 2o3o n LYS 83 Cb 0.48 -2.17 -0.00 0.00 0.02 0.00 0.00 35.03 33.36 2o3o n LYS 83 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2o3o n ASP 84 N 2.17 -5.70 -3.97 3.14 8.00 -1.26 -5.01 116.55 113.92 2o3o n ASP 84 Ca 0.14 -0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.43 2o3o n ASP 84 Cb 0.28 -4.69 -0.14 0.00 -0.02 0.00 0.00 41.12 36.55 2o3o n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2o3o s GLN 85 N -5.09 0.40 -0.02 -1.24 -0.21 -1.06 -1.47 119.66 110.97 2o3o s GLN 85 Ca 0.05 -0.30 0.06 0.00 0.02 0.00 0.00 55.36 55.19 2o3o s GLN 85 Cb -0.02 -0.33 -0.02 0.00 1.00 0.00 0.00 33.01 33.64 2o3o s GLN 85 CO 0.06 0.08 -0.21 0.15 -2.12 0.00 0.00 175.29 173.25 2o3o s LYS 86 N -0.45 1.75 -0.06 2.91 -0.14 0.04 -4.91 119.74 118.87 2o3o s LYS 86 Ca -0.01 -0.75 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 2o3o s LYS 86 Cb -0.04 -1.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.42 2o3o s LYS 86 CO -0.00 0.44 1.23 -1.25 -0.76 0.00 0.00 175.35 175.00 2o3o s PRO 87 N -0.45 4.33 -1.03 -1.68 0.04 -1.26 -1.13 135.00 133.83 2o3o s PRO 87 Ca 0.07 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 2o3o s PRO 87 Cb -0.09 -3.59 0.29 0.00 0.04 0.00 0.00 34.50 31.15 2o3o s PRO 87 CO -0.00 -0.49 1.97 1.28 0.04 0.00 0.00 177.00 179.79 2o3o n LEU 88 N 5.40 7.47 0.00 -3.56 4.77 0.06 -4.93 117.00 126.20 2o3o n LEU 88 Ca 0.12 -5.20 0.00 0.00 -0.03 0.00 0.00 56.01 50.90 2o3o n LEU 88 Cb 0.46 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2o3o n LEU 88 CO 0.56 2.00 0.00 0.47 -1.33 0.00 0.00 177.39 179.09 2o3o n ASP 90 N 0.16 0.00 -4.65 -1.43 8.00 -1.26 -4.79 116.55 112.59 2o3o n ASP 90 Ca 0.50 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.70 2o3o n ASP 90 Cb 0.26 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.28 2o3o n ASP 90 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2o3o s PRO 92 N 1.35 2.41 0.32 -0.24 0.04 -1.26 -4.92 135.00 132.71 2o3o s PRO 92 Ca 0.00 -0.89 -0.05 0.00 0.04 0.00 0.00 61.00 60.10 2o3o s PRO 92 Cb 0.00 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2o3o s PRO 92 CO 0.00 0.53 0.48 -1.54 0.04 0.00 0.00 177.00 176.52 2o3o s SER 93 N -2.23 0.65 0.33 6.66 1.04 -0.27 -4.92 113.70 114.96 2o3o s SER 93 Ca 0.24 -1.36 0.13 0.00 0.48 0.00 0.00 55.95 55.43 2o3o s SER 93 Cb -0.11 0.65 1.03 0.00 0.10 0.00 0.00 66.02 67.69 2o3o s SER 93 CO 0.16 -1.28 1.66 0.44 0.98 0.00 0.00 173.24 175.20 2o3o h ASP 94 N 2.15 0.43 0.17 7.02 3.32 -2.06 -0.85 116.42 126.60 2o3o h ASP 94 Ca -0.28 0.19 -0.25 0.00 0.02 0.00 0.00 57.03 56.71 2o3o h ASP 94 Cb 1.24 0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.97 2o3o h ASP 94 CO 0.39 -0.14 -1.03 -0.78 -1.72 0.00 0.00 179.24 175.96 2o3o h ASP 95 N 0.30 0.74 -3.27 6.45 1.82 -2.09 -3.45 116.42 116.93 2o3o h ASP 95 Ca 0.71 -0.61 -0.59 0.00 -0.39 0.00 0.00 57.03 56.15 2o3o h ASP 95 Cb 1.59 -0.23 -0.34 0.00 0.68 0.00 0.00 39.33 41.03 2o3o h ASP 95 CO -0.62 1.41 -0.84 -2.28 -1.61 0.00 0.00 179.24 175.30 2o3o s HIS 96 N -3.25 2.04 0.09 0.28 2.46 -0.32 -5.13 115.29 111.47 2o3o s HIS 96 Ca -0.08 -0.95 -0.10 0.00 0.47 0.00 0.00 55.06 54.40 2o3o s HIS 96 Cb 0.08 -1.46 -0.06 0.00 -0.13 0.00 0.00 32.58 31.01 2o3o s HIS 96 CO 0.90 -0.48 0.42 0.15 -2.47 0.00 0.00 174.74 173.26 2o3o s LYS 97 N 0.92 3.78 -0.35 2.88 1.02 -1.26 -1.11 119.74 125.61 2o3o s LYS 97 Ca -0.08 0.20 -0.08 0.00 0.02 0.00 0.00 55.97 56.04 2o3o s LYS 97 Cb -0.15 -2.97 0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2o3o s LYS 97 CO -0.01 0.54 0.15 0.08 -0.92 0.00 0.00 175.35 175.19 2o3o s VAL 98 N -1.43 4.07 -0.51 3.17 1.01 -1.26 -4.92 120.40 120.52 2o3o s VAL 98 Ca 0.34 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.32 2o3o s VAL 98 Cb -0.14 -3.30 0.15 0.00 0.00 0.00 0.00 36.38 33.09 2o3o s VAL 98 CO 0.19 -0.21 1.08 0.35 0.00 0.00 0.00 175.10 176.51 2o3o n THR 99 N 4.88 0.89 -3.51 3.92 -2.24 -1.26 -0.97 114.28 115.98 2o3o n THR 99 Ca -0.12 -0.94 -0.17 0.00 -2.27 0.00 0.00 64.05 60.54 2o3o n THR 99 Cb 0.45 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 2o3o n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2o3o s SER 100 N -0.94 1.15 -0.15 3.42 0.15 -1.26 -4.65 113.70 111.41 2o3o s SER 100 Ca 0.12 -0.07 -0.17 0.00 0.70 0.00 0.00 55.95 56.53 2o3o s SER 100 Cb 0.06 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2o3o s SER 100 CO 0.08 -0.31 0.41 -0.76 1.20 0.00 0.00 173.24 173.87 2o3o s LEU 101 N 2.35 4.23 0.12 3.45 1.43 0.08 -4.93 118.68 125.40 2o3o s LEU 101 Ca 0.06 0.66 0.10 0.00 -1.03 0.00 0.00 54.13 53.92 2o3o s LEU 101 Cb -0.15 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2o3o s LEU 101 CO -0.11 -0.00 -0.25 -0.75 0.23 0.00 0.00 176.35 175.46 2o3o s LYS 102 N 0.81 1.34 -0.25 1.70 2.20 -1.26 0.52 119.74 124.81 2o3o s LYS 102 Ca 0.22 -1.28 -0.18 0.00 -0.36 0.00 0.00 55.97 54.37 2o3o s LYS 102 Cb -0.14 -1.75 0.07 0.00 -1.51 0.00 0.00 37.83 34.49 2o3o s LYS 102 CO 0.08 0.42 0.63 0.21 -0.36 0.00 0.00 175.35 176.32 2o3o s LYS 104 N -1.95 0.69 0.00 4.03 2.20 -0.28 -0.76 119.74 123.66 2o3o s LYS 104 Ca 0.12 0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 56.42 2o3o s LYS 104 Cb -0.10 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2o3o s LYS 104 CO 0.05 -0.12 1.13 -0.06 -0.36 0.00 0.00 175.35 175.99 2o3o s PHE 105 N 0.92 3.45 0.32 4.03 0.40 -0.15 -0.78 117.98 126.17 2o3o s PHE 105 Ca -0.05 1.41 0.09 0.00 -0.60 0.00 0.00 56.93 57.78 2o3o s PHE 105 Cb -0.05 -3.32 0.91 0.00 0.51 0.00 0.00 43.02 41.06 2o3o s PHE 105 CO -0.08 -0.86 1.68 0.00 0.70 0.00 0.00 175.22 176.65 2o3o h ALA 106 N 6.98 1.69 -3.32 5.36 0.00 -1.58 -3.36 119.26 125.02 2o3o h ALA 106 Ca -0.39 0.18 -0.46 0.00 0.00 0.00 0.00 54.91 54.24 2o3o h ALA 106 Cb 1.20 0.17 -0.36 0.00 0.00 0.00 0.00 17.79 18.79 2o3o h ALA 106 CO 0.81 -0.46 -0.78 -0.80 0.00 0.00 0.00 179.25 178.03 2o3o s ASN 107 N -5.04 1.55 0.69 0.00 0.01 -1.26 -5.10 114.94 105.79 2o3o s ASN 107 Ca -0.11 -0.17 -0.17 0.00 -0.71 0.00 0.00 52.86 51.70 2o3o s ASN 107 Cb 0.28 -0.58 0.01 0.00 0.41 0.00 0.00 41.25 41.37 2o3o s ASN 107 CO 0.79 -0.11 1.20 -0.81 -1.51 0.00 0.00 177.10 176.66 2o3o n PRO 108 N 4.62 0.81 -4.01 -0.60 -0.04 -1.26 -4.97 135.00 129.55 2o3o n PRO 108 Ca -0.15 0.34 -0.34 0.00 -0.04 0.00 0.00 63.50 63.30 2o3o n PRO 108 Cb 0.50 -2.44 -0.15 0.00 -0.04 0.00 0.00 33.50 31.37 2o3o n PRO 108 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2o3o s ILE 109 N -1.61 2.67 0.50 0.52 1.01 -0.96 -4.86 121.20 118.45 2o3o s ILE 109 Ca 0.79 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 2o3o s ILE 109 Cb -0.36 -2.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 2o3o s ILE 109 CO 0.44 0.42 1.30 0.00 0.00 0.00 0.00 174.94 177.10 2o3o n ALA 110 N 4.68 1.41 -2.69 9.38 0.00 -1.26 -0.82 120.51 131.21 2o3o n ALA 110 Ca -0.19 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 2o3o n ALA 110 Cb 0.49 -2.31 -0.15 0.00 0.00 0.00 0.00 19.45 17.48 2o3o n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o3o s LEU 111 N -2.58 1.97 0.58 0.00 1.43 -0.94 -4.88 118.68 114.26 2o3o s LEU 111 Ca 0.67 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 2o3o s LEU 111 Cb -0.45 -0.76 -0.11 0.00 0.03 0.00 0.00 46.19 44.89 2o3o s LEU 111 CO 0.53 0.16 0.19 -0.24 0.23 0.00 0.00 176.35 177.22 2o3o n SER 112 N 2.88 -2.40 0.02 2.29 2.88 -1.26 -4.83 113.62 113.20 2o3o n SER 112 Ca -0.16 0.66 -0.02 0.00 -1.33 0.00 0.00 58.87 58.03 2o3o n SER 112 Cb 0.54 -1.02 -0.01 0.00 -0.75 0.00 0.00 64.21 62.97 2o3o n SER 112 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2o3o h LYS 113 N 0.01 -0.11 -0.00 -1.46 1.57 -1.97 -3.32 116.57 111.29 2o3o h LYS 113 Ca -0.44 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2o3o h LYS 113 Cb 1.41 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2o3o h LYS 113 CO 0.43 -0.07 -0.41 1.63 -0.57 0.00 0.00 179.45 180.46 2o3o n LYS 114 N -3.86 0.47 -0.76 3.15 5.02 -1.26 -3.53 118.16 117.39 2o3o n LYS 114 Ca -0.01 -0.29 -0.02 0.00 -2.02 0.00 0.00 58.31 55.96 2o3o n LYS 114 Cb 0.04 -1.49 0.20 0.00 -0.02 0.00 0.00 35.03 33.76 2o3o n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2o3o n ASP 115 N -1.01 2.39 0.15 4.39 -0.08 -1.26 -4.89 116.55 116.24 2o3o n ASP 115 Ca 0.09 -3.77 0.09 0.00 -1.51 0.00 0.00 54.79 49.69 2o3o n ASP 115 Cb 0.35 -0.62 0.60 0.00 2.34 0.00 0.00 41.12 43.79 2o3o n ASP 115 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2o3o h ILE 116 N 1.01 0.98 -0.02 5.18 2.10 -1.65 -2.56 117.51 122.55 2o3o h ILE 116 Ca 0.18 -0.05 -0.20 0.00 1.08 0.00 0.00 64.86 65.88 2o3o h ILE 116 Cb 1.55 0.83 0.01 0.00 -1.09 0.00 0.00 36.82 38.13 2o3o h ILE 116 CO 0.33 0.02 -0.76 -0.33 -1.08 0.00 0.00 178.15 176.33 2o3o h GLU 117 N 0.14 0.55 -0.21 2.19 5.08 -1.90 -1.99 114.58 118.44 2o3o h GLU 117 Ca 0.08 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2o3o h GLU 117 Cb 0.16 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2o3o h GLU 117 CO -0.01 1.19 0.05 -0.44 -1.00 0.00 0.00 179.01 178.80 2o3o h ASP 118 N 0.13 0.32 -0.90 1.42 3.32 -1.88 0.13 116.42 118.96 2o3o h ASP 118 Ca -0.09 -0.23 0.07 0.00 0.02 0.00 0.00 57.03 56.80 2o3o h ASP 118 Cb 1.44 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.84 2o3o h ASP 118 CO 0.15 0.46 0.56 0.44 -1.72 0.00 0.00 179.24 179.13 2o3o h ASP 119 N 0.15 0.87 -0.21 6.45 5.19 -1.56 0.53 116.42 127.84 2o3o h ASP 119 Ca 0.07 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 2o3o h ASP 119 Cb 0.27 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2o3o h ASP 119 CO 0.00 0.55 0.05 0.00 -3.12 0.00 0.00 179.24 176.71 2o3o h ALA 120 N 1.43 0.28 -0.67 3.45 0.00 -1.07 -1.12 119.26 121.56 2o3o h ALA 120 Ca 0.40 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.27 2o3o h ALA 120 Cb 0.21 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 2o3o h ALA 120 CO -0.19 -0.06 0.21 1.96 0.00 0.00 0.00 179.25 181.18 2o3o h GLN 121 N 0.16 0.34 -0.52 0.00 1.08 -0.27 -1.73 115.11 114.17 2o3o h GLN 121 Ca 0.07 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 2o3o h GLN 121 Cb 0.29 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2o3o h GLN 121 CO 0.00 0.23 -0.00 0.00 -0.95 0.00 0.00 178.83 178.10 2o3o h ALA 122 N 1.50 1.01 -0.22 3.87 0.00 -0.68 0.12 119.26 124.87 2o3o h ALA 122 Ca 0.36 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2o3o h ALA 122 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2o3o h ALA 122 CO -0.39 0.61 0.13 1.25 0.00 0.00 0.00 179.25 180.85 2o3o h LEU 123 N 0.82 0.26 -0.21 0.00 5.85 -0.65 -1.97 115.31 119.41 2o3o h LEU 123 Ca 0.15 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2o3o h LEU 123 Cb 0.49 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2o3o h LEU 123 CO 0.02 0.24 -0.15 0.58 -0.34 0.00 0.00 178.44 178.79 2o3o h VAL 124 N 0.26 1.32 -0.06 1.05 2.07 -1.04 -1.86 116.25 117.98 2o3o h VAL 124 Ca 0.08 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2o3o h VAL 124 Cb 0.02 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2o3o h VAL 124 CO -0.01 0.39 0.04 0.28 0.02 0.00 0.00 177.57 178.28 2o3o h SER 125 N 0.17 0.07 1.26 0.57 0.02 -0.69 -2.60 113.55 112.35 2o3o h SER 125 Ca 0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2o3o h SER 125 Cb 0.67 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2o3o h SER 125 CO 0.04 0.05 -0.75 0.77 -1.14 0.00 0.00 176.83 175.80 2o3o h SER 126 N 0.08 0.00 0.00 3.07 4.64 -1.41 -3.38 113.55 116.55 2o3o h SER 126 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2o3o h SER 126 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2o3o h SER 126 CO -0.01 0.07 -1.08 0.29 -0.87 0.00 0.00 176.83 175.23 2o3o n LYS 127 N -2.83 3.40 -3.36 4.77 5.02 -0.70 -5.03 118.16 119.42 2o3o n LYS 127 Ca 0.00 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 2o3o n LYS 127 Cb 0.58 -1.03 -0.05 0.00 -0.02 0.00 0.00 35.03 34.51 2o3o n LYS 127 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o3o s ILE 128 N -2.04 4.92 0.15 -0.18 1.01 -0.98 -5.02 121.20 119.06 2o3o s ILE 128 Ca -0.01 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 2o3o s ILE 128 Cb 0.00 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 2o3o s ILE 128 CO 0.05 -0.13 1.28 -1.58 0.00 0.00 0.00 174.94 174.56 2o3o s GLN 129 N -2.95 4.41 -1.47 2.79 0.74 -1.26 -2.31 119.66 119.60 2o3o s GLN 129 Ca 0.48 1.96 -0.08 0.00 0.05 0.00 0.00 55.36 57.77 2o3o s GLN 129 Cb -0.11 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.78 2o3o s GLN 129 CO 0.22 -0.26 0.78 -0.25 -0.55 0.00 0.00 175.29 175.24 2o3o n ASP 130 N 3.19 -5.72 0.07 6.67 10.43 -1.26 -4.91 116.55 125.02 2o3o n ASP 130 Ca 0.08 -0.42 -0.11 0.00 2.57 0.00 0.00 54.79 56.90 2o3o n ASP 130 Cb 0.44 -4.59 -0.05 0.00 1.84 0.00 0.00 41.12 38.75 2o3o n ASP 130 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2o3o h GLY 131 N -1.75 -0.22 -1.32 0.44 0.00 -1.62 -2.56 103.07 96.04 2o3o h GLY 131 Ca -0.53 0.18 0.46 0.00 0.00 0.00 0.00 47.33 47.43 2o3o h GLY 131 CO 0.58 -0.15 0.84 -1.84 0.00 0.00 0.00 176.54 175.97 2o3o n GLU 132 N -5.28 -0.03 0.00 4.80 0.00 -1.26 -0.39 120.64 118.47 2o3o n GLU 132 Ca -0.06 1.21 0.02 0.00 0.00 0.00 0.00 57.16 58.33 2o3o n GLU 132 Cb 0.20 -2.37 0.12 0.00 0.00 0.00 0.00 31.44 29.38 2o3o n GLU 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2o3o n LYS 133 N -4.64 0.93 -4.49 3.44 5.02 -0.96 -4.82 118.16 112.63 2o3o n LYS 133 Ca 0.39 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.38 2o3o n LYS 133 Cb 1.50 -1.07 -0.13 0.00 -0.02 0.00 0.00 35.03 35.32 2o3o n LYS 133 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2o3o s TYR 134 N -2.00 2.38 -0.04 2.13 1.51 0.48 -1.49 117.35 120.32 2o3o s TYR 134 Ca 0.06 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2o3o s TYR 134 Cb 0.03 -1.31 -0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2o3o s TYR 134 CO 0.05 0.30 -0.16 0.21 -1.11 0.00 0.00 175.55 174.84 2o3o s LYS 135 N -1.87 1.61 0.09 -0.62 2.20 -0.28 -4.94 119.74 115.93 2o3o s LYS 135 Ca 0.14 -0.55 -0.33 0.00 -0.36 0.00 0.00 55.97 54.88 2o3o s LYS 135 Cb -0.10 -1.42 -0.12 0.00 -1.51 0.00 0.00 37.83 34.68 2o3o s LYS 135 CO 0.06 0.22 1.76 -0.11 -0.36 0.00 0.00 175.35 176.92 2o3o n LEU 136 N 3.16 3.60 -0.11 5.43 7.94 -1.26 -1.47 117.00 134.29 2o3o n LEU 136 Ca -0.18 1.02 -0.18 0.00 -1.11 0.00 0.00 56.01 55.55 2o3o n LEU 136 Cb 0.53 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.94 2o3o n LEU 136 CO 0.25 -0.03 -0.87 1.87 -1.11 0.00 0.00 177.39 177.50 2o3o n TRP 137 N 5.07 0.36 -3.73 1.96 -0.00 0.13 -4.86 117.44 116.36 2o3o n TRP 137 Ca 0.19 0.16 -0.13 0.00 -0.00 0.00 0.00 57.50 57.71 2o3o n TRP 137 Cb 0.33 -0.85 -0.10 0.00 -0.00 0.00 0.00 31.31 30.69 2o3o n TRP 137 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2o3o s LYS 138 N -2.55 0.47 -0.30 5.87 2.20 -0.92 -5.01 119.74 119.50 2o3o s LYS 138 Ca -0.30 0.57 -0.09 0.00 -0.36 0.00 0.00 55.97 55.79 2o3o s LYS 138 Cb 0.08 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2o3o s LYS 138 CO 0.45 -0.06 0.14 0.08 -0.36 0.00 0.00 175.35 175.60 2o3o s VAL 139 N 0.28 4.52 -0.55 4.02 1.01 -1.26 -0.62 120.40 127.80 2o3o s VAL 139 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2o3o s VAL 139 Cb -0.03 -3.29 0.14 0.00 0.00 0.00 0.00 36.38 33.20 2o3o s VAL 139 CO -0.00 0.10 0.43 -0.62 0.00 0.00 0.00 175.10 175.01 2o3o s ASP 140 N 1.60 5.83 0.23 3.32 -1.08 0.86 -4.94 116.67 122.49 2o3o s ASP 140 Ca 0.05 -2.16 -0.02 0.00 -0.52 0.00 0.00 52.55 49.90 2o3o s ASP 140 Cb -0.17 -2.03 0.25 0.00 -1.46 0.00 0.00 42.92 39.51 2o3o s ASP 140 CO 0.06 -0.64 1.65 0.11 0.52 0.00 0.00 175.17 176.86 2o3o h LYS 141 N 8.18 0.67 0.00 4.34 1.57 -1.97 0.21 116.57 129.57 2o3o h LYS 141 Ca -0.14 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2o3o h LYS 141 Cb 1.05 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2o3o h LYS 141 CO 0.84 0.86 -0.06 0.66 -0.57 0.00 0.00 179.45 181.18 2o3o h SER 142 N 0.58 0.00 -0.13 0.86 4.64 -1.95 -2.92 113.55 114.63 2o3o h SER 142 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2o3o h SER 142 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2o3o h SER 142 CO 0.06 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 2o3o n LYS 143 N -3.15 1.42 -3.96 4.77 5.02 -1.07 -5.00 118.16 116.19 2o3o n LYS 143 Ca 0.01 -1.54 -0.33 0.00 -2.02 0.00 0.00 58.31 54.44 2o3o n LYS 143 Cb 0.40 -1.27 -0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2o3o n LYS 143 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o3o n LYS 144 N 0.73 -1.68 -3.92 1.97 5.02 0.01 -4.85 118.16 115.45 2o3o n LYS 144 Ca 0.09 0.30 -0.09 0.00 -2.02 0.00 0.00 58.31 56.60 2o3o n LYS 144 Cb 0.37 -3.83 -0.08 0.00 -0.02 0.00 0.00 35.03 31.47 2o3o n LYS 144 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2o3o s GLU 145 N -6.71 0.74 -0.13 1.97 -1.05 -0.90 -1.18 118.70 111.43 2o3o s GLU 145 Ca 0.25 -0.96 0.01 0.00 -0.15 0.00 0.00 54.97 54.11 2o3o s GLU 145 Cb -0.11 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 2o3o s GLU 145 CO 0.92 -0.21 -0.14 0.42 0.95 0.00 0.00 175.26 177.20 2o3o s ILE 146 N -3.59 1.51 -0.17 1.83 1.01 -0.86 -0.10 121.20 120.85 2o3o s ILE 146 Ca 0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 2o3o s ILE 146 Cb 0.04 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2o3o s ILE 146 CO -0.09 0.45 0.01 -0.63 0.00 0.00 0.00 174.94 174.67 2o3o s ILE 147 N 1.32 4.31 -0.08 2.92 1.01 0.21 -1.43 121.20 129.46 2o3o s ILE 147 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.49 2o3o s ILE 147 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2o3o s ILE 147 CO -0.07 0.48 -0.21 -0.36 0.00 0.00 0.00 174.94 174.78 2o3o s PHE 148 N 0.36 2.58 -0.15 3.97 0.40 -0.07 0.18 117.98 125.25 2o3o s PHE 148 Ca -0.01 -0.67 -0.08 0.00 -0.60 0.00 0.00 56.93 55.57 2o3o s PHE 148 Cb -0.13 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 2o3o s PHE 148 CO 0.02 -0.19 0.13 -0.06 0.70 0.00 0.00 175.22 175.82 2o3o s PHE 149 N -0.06 3.51 0.70 0.36 0.08 -0.54 -1.38 117.98 120.65 2o3o s PHE 149 Ca -0.05 0.43 -0.16 0.00 0.12 0.00 0.00 56.93 57.27 2o3o s PHE 149 Cb -0.14 -2.03 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2o3o s PHE 149 CO 0.04 0.54 0.99 0.94 -0.10 0.00 0.00 175.22 177.63 2o3o n GLN 150 N 2.65 0.59 -4.65 0.44 7.27 0.01 -1.12 117.38 122.58 2o3o n GLN 150 Ca -0.18 0.26 -0.29 0.00 0.07 0.00 0.00 57.00 56.85 2o3o n GLN 150 Cb 0.54 -2.23 -0.10 0.00 2.41 0.00 0.00 30.24 30.85 2o3o n GLN 150 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2o3o s THR 151 N -1.75 1.77 -0.06 1.69 -4.23 -0.56 -1.90 115.64 110.60 2o3o s THR 151 Ca 0.74 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2o3o s THR 151 Cb -0.36 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 70.74 2o3o s THR 151 CO 0.49 0.00 -0.02 -0.47 -0.54 0.00 0.00 174.62 174.08 2o3o s TYR 152 N -2.75 0.73 -1.72 3.99 5.04 -0.14 -4.75 117.35 117.75 2o3o s TYR 152 Ca 0.27 -0.21 -0.17 0.00 -2.44 0.00 0.00 57.07 54.52 2o3o s TYR 152 Cb 0.08 -0.75 0.15 0.00 0.35 0.00 0.00 41.96 41.78 2o3o s TYR 152 CO 0.14 -0.28 0.62 0.39 -1.34 0.00 0.00 175.55 175.08 2o3o n GLU 153 N 4.64 -2.19 -1.03 4.97 1.02 -1.26 -0.55 120.64 126.24 2o3o n GLU 153 Ca -0.16 0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 57.25 2o3o n GLU 153 Cb 0.50 -4.77 -0.00 0.00 -0.02 0.00 0.00 31.44 27.15 2o3o n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2o3o n GLY 154 N -1.47 0.38 3.69 0.62 0.00 -1.26 -5.01 105.19 102.14 2o3o n GLY 154 Ca 0.01 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2o3o n GLY 154 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o3o s HIS 155 N -1.68 3.14 0.37 1.61 3.76 0.28 -5.01 115.29 117.76 2o3o s HIS 155 Ca 0.00 0.16 -0.27 0.00 -0.15 0.00 0.00 55.06 54.80 2o3o s HIS 155 Cb 0.00 -1.75 -0.12 0.00 1.11 0.00 0.00 32.58 31.83 2o3o s HIS 155 CO 0.00 0.47 1.25 0.66 -0.85 0.00 0.00 174.74 176.27 2o3o n TYR 156 N 1.86 2.12 -3.08 1.40 4.02 -1.26 -0.96 117.16 121.25 2o3o n TYR 156 Ca -0.17 0.55 -0.45 0.00 -0.01 0.00 0.00 57.90 57.82 2o3o n TYR 156 Cb 0.53 -2.38 -0.02 0.00 -0.02 0.00 0.00 39.34 37.45 2o3o n TYR 156 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2o3o s ILE 157 N -1.13 5.15 0.30 -0.72 1.01 -0.80 -1.57 121.20 123.44 2o3o s ILE 157 Ca 0.57 -2.17 -0.30 0.00 0.00 0.00 0.00 60.65 58.76 2o3o s ILE 157 Cb -0.56 -4.69 -0.11 0.00 0.01 0.00 0.00 42.46 37.11 2o3o s ILE 157 CO 0.61 -1.36 1.52 -0.31 0.00 0.00 0.00 174.94 175.40 2o3o s TYR 158 N 1.42 2.80 0.26 3.97 1.51 0.21 -4.73 117.35 122.80 2o3o s TYR 158 Ca 0.30 0.94 -0.13 0.00 -1.01 0.00 0.00 57.07 57.17 2o3o s TYR 158 Cb -0.06 -3.98 -0.00 0.00 -0.11 0.00 0.00 41.96 37.80 2o3o s TYR 158 CO -0.08 -3.17 0.50 1.14 -1.11 0.00 0.00 175.55 172.83 2o3o s GLN 159 N -0.81 1.60 0.28 -0.62 -2.07 -1.26 -4.32 119.66 112.45 2o3o s GLN 159 Ca 0.60 -1.27 -0.29 0.00 -1.82 0.00 0.00 55.36 52.58 2o3o s GLN 159 Cb -0.46 0.48 -0.09 0.00 -1.09 0.00 0.00 33.01 31.85 2o3o s GLN 159 CO 0.50 -0.67 1.08 0.15 -1.32 0.00 0.00 175.29 175.02 2o3o s LYS 160 N -3.93 4.64 -0.31 9.60 1.02 -1.26 -4.95 119.74 124.55 2o3o s LYS 160 Ca 0.22 1.75 0.09 0.00 0.02 0.00 0.00 55.97 58.05 2o3o s LYS 160 Cb -0.01 -3.16 0.57 0.00 -0.52 0.00 0.00 37.83 34.71 2o3o s LYS 160 CO 0.10 0.23 1.59 0.25 -0.92 0.00 0.00 175.35 176.60 2o3o n THR 161 N 1.15 2.69 0.03 2.17 -2.24 -1.26 -4.63 114.28 112.19 2o3o n THR 161 Ca -0.01 -2.32 -0.10 0.00 -2.27 0.00 0.00 64.05 59.35 2o3o n THR 161 Cb 0.45 -0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 2o3o n THR 161 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2o3o h ASP 162 N 1.31 0.08 -5.58 3.42 5.19 -1.97 -3.50 116.42 115.38 2o3o h ASP 162 Ca 0.28 -0.12 0.26 0.00 -0.62 0.00 0.00 57.03 56.83 2o3o h ASP 162 Cb 1.96 -0.03 -0.10 0.00 0.18 0.00 0.00 39.33 41.34 2o3o h ASP 162 CO 0.55 1.10 0.68 0.54 -3.12 0.00 0.00 179.24 178.99 2o3o s ASN 163 N -6.52 -0.10 0.23 6.45 2.20 -1.26 -5.08 114.94 110.86 2o3o s ASN 163 Ca -0.04 -0.26 0.26 0.00 -0.94 0.00 0.00 52.86 51.88 2o3o s ASN 163 Cb 0.08 0.31 0.77 0.00 -2.00 0.00 0.00 41.25 40.41 2o3o s ASN 163 CO 0.83 -0.57 1.76 1.55 -2.94 0.00 0.00 177.10 177.73 2o3o h PRO 164 N 2.00 0.00 -0.28 3.55 0.14 -1.96 -3.15 132.00 132.30 2o3o h PRO 164 Ca -0.28 0.00 0.07 0.00 0.14 0.00 0.00 66.00 65.93 2o3o h PRO 164 Cb 1.21 0.00 -0.08 0.00 0.14 0.00 0.00 31.00 32.28 2o3o h PRO 164 CO 0.27 0.00 -0.27 0.77 0.14 0.00 0.00 178.00 178.91 2o3o h SER 165 N 0.00 -0.88 -2.39 1.44 0.02 -1.98 -3.44 113.55 106.31 2o3o h SER 165 Ca 0.00 0.16 -0.66 0.00 -0.84 0.00 0.00 61.79 60.45 2o3o h SER 165 Cb 0.76 0.41 -0.16 0.00 0.14 0.00 0.00 62.40 63.56 2o3o h SER 165 CO 0.00 -0.30 0.77 0.20 -1.14 0.00 0.00 176.83 176.36 2o3o s ASN 166 N -5.04 6.43 0.00 3.07 0.01 -1.19 -5.09 114.94 113.13 2o3o s ASN 166 Ca -0.15 -1.55 0.00 0.00 -0.71 0.00 0.00 52.86 50.45 2o3o s ASN 166 Cb 0.12 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.36 2o3o s ASN 166 CO 0.68 -1.26 0.00 2.30 -1.51 0.00 0.00 177.10 177.31 2o3o n ILE 168 N 5.80 0.00 -2.74 0.60 -5.35 -1.26 -4.41 119.36 112.00 2o3o n ILE 168 Ca 0.13 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.56 2o3o n ILE 168 Cb 0.48 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.40 2o3o n ILE 168 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o3o n GLY 169 N 0.00 -0.61 3.10 3.28 0.00 -1.26 -3.98 105.19 105.73 2o3o n GLY 169 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 2o3o n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o3o s GLN 170 N 0.81 0.65 -0.10 1.61 -0.21 -0.92 -0.81 119.66 120.69 2o3o s GLN 170 Ca 0.30 -1.10 0.02 0.00 0.02 0.00 0.00 55.36 54.60 2o3o s GLN 170 Cb 0.08 -0.09 -0.01 0.00 1.00 0.00 0.00 33.01 33.99 2o3o s GLN 170 CO -0.10 -0.03 -0.18 0.08 -2.12 0.00 0.00 175.29 172.94 2o3o s VAL 171 N -2.95 2.67 -0.29 1.09 1.01 -0.48 -0.91 120.40 120.54 2o3o s VAL 171 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2o3o s VAL 171 Cb 0.01 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.40 2o3o s VAL 171 CO -0.04 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.91 2o3o s VAL 172 N 0.14 1.83 0.28 2.92 1.01 0.22 -0.89 120.40 125.91 2o3o s VAL 172 Ca -0.09 -1.73 -0.29 0.00 0.00 0.00 0.00 61.98 59.87 2o3o s VAL 172 Cb -0.15 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 2o3o s VAL 172 CO 0.06 -0.35 1.02 -0.76 0.00 0.00 0.00 175.10 175.07 2o3o s LEU 173 N 1.19 4.52 -0.19 3.92 1.43 -0.51 -1.47 118.68 127.56 2o3o s LEU 173 Ca 0.02 2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 2o3o s LEU 173 Cb -0.19 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2o3o s LEU 173 CO -0.09 -0.07 -0.11 -1.00 0.23 0.00 0.00 176.35 175.31 2o3o s HIS 174 N -1.28 2.87 0.34 0.29 3.76 -0.16 -2.02 115.29 119.09 2o3o s HIS 174 Ca 0.45 -1.13 0.07 0.00 -0.15 0.00 0.00 55.06 54.31 2o3o s HIS 174 Cb -0.27 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 2o3o s HIS 174 CO 0.34 -0.58 0.40 -0.51 -0.85 0.00 0.00 174.74 173.54 2o3o s LEU 175 N 1.25 3.81 -0.28 0.89 1.43 -0.32 -0.39 118.68 125.06 2o3o s LEU 175 Ca 0.03 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 2o3o s LEU 175 Cb -0.14 -2.53 0.10 0.00 0.03 0.00 0.00 46.19 43.66 2o3o s LEU 175 CO -0.05 -0.41 0.82 0.21 0.23 0.00 0.00 176.35 177.15 2o3o s ASN 176 N -4.11 -0.73 0.17 2.29 2.47 -0.81 -4.86 114.94 109.37 2o3o s ASN 176 Ca 0.44 1.22 0.00 0.00 0.42 0.00 0.00 52.86 54.93 2o3o s ASN 176 Cb -0.08 1.29 0.00 0.00 -1.45 0.00 0.00 41.25 41.01 2o3o s ASN 176 CO 0.29 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 174.09 2o3o n GLY 177 N 3.68 2.01 2.55 1.21 0.00 -1.26 -2.83 105.19 110.55 2o3o n GLY 177 Ca -0.18 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2o3o n GLY 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o3o n LYS 178 N 0.00 4.93 -4.26 1.61 5.02 -1.26 -4.82 118.16 119.38 2o3o n LYS 178 Ca 0.00 -3.96 -0.37 0.00 -2.02 0.00 0.00 58.31 51.96 2o3o n LYS 178 Cb 0.00 -2.55 -0.04 0.00 -0.02 0.00 0.00 35.03 32.42 2o3o n LYS 178 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2o3o n ASN 179 N 0.93 -2.76 -4.65 4.39 3.02 -1.24 -4.54 115.26 110.42 2o3o n ASN 179 Ca 0.56 -1.06 -0.37 0.00 -0.03 0.00 0.00 54.58 53.68 2o3o n ASN 179 Cb 0.26 -2.56 -0.09 0.00 -0.61 0.00 0.00 39.78 36.77 2o3o n ASN 179 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2o3o s GLU 180 N -6.97 4.07 -0.47 3.52 2.02 -1.13 -2.22 118.70 117.52 2o3o s GLU 180 Ca 0.69 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.22 2o3o s GLU 180 Cb -0.38 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.30 2o3o s GLU 180 CO 0.94 -0.01 1.35 0.08 0.02 0.00 0.00 175.26 177.64 2o3o s VAL 181 N 1.27 3.93 -0.14 2.63 1.01 -0.00 -1.92 120.40 127.18 2o3o s VAL 181 Ca 0.10 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.74 2o3o s VAL 181 Cb -0.14 -4.36 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 2o3o s VAL 181 CO 0.06 -0.93 0.66 0.58 0.00 0.00 0.00 175.10 175.47 2o3o h VAL 182 N 6.39 1.55 -4.22 2.92 2.07 -1.05 -2.55 116.25 121.36 2o3o h VAL 182 Ca -0.26 -2.17 -0.26 0.00 0.82 0.00 0.00 66.70 64.83 2o3o h VAL 182 Cb 1.09 2.94 -0.10 0.00 -1.52 0.00 0.00 31.29 33.70 2o3o h VAL 182 CO 1.12 0.53 -0.29 -0.94 0.02 0.00 0.00 177.57 178.01 2o3o s SER 183 N -6.15 0.72 0.00 0.57 1.04 -1.22 -0.97 113.70 107.69 2o3o s SER 183 Ca -0.17 -1.41 -0.19 0.00 0.48 0.00 0.00 55.95 54.66 2o3o s SER 183 Cb -0.02 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.72 2o3o s SER 183 CO 0.60 -1.16 0.43 -0.72 0.98 0.00 0.00 173.24 173.36 2o3o s TYR 184 N -3.46 -0.31 -0.09 5.02 -0.85 -1.26 -0.99 117.35 115.41 2o3o s TYR 184 Ca 0.32 0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 57.27 2o3o s TYR 184 Cb 0.01 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.53 2o3o s TYR 184 CO 0.18 -0.51 0.01 -0.51 -1.52 0.00 0.00 175.55 173.20 2o3o s ASP 185 N -1.58 5.26 -0.00 -0.18 1.01 -0.54 -4.12 116.67 116.52 2o3o s ASP 185 Ca -0.10 0.15 -0.00 0.00 0.71 0.00 0.00 52.55 53.31 2o3o s ASP 185 Cb -0.02 -1.50 0.00 0.00 1.01 0.00 0.00 42.92 42.41 2o3o s ASP 185 CO 0.03 0.37 0.00 -1.58 0.21 0.00 0.00 175.17 174.20 2o3o s GLN 186 N -0.86 -0.00 0.05 8.23 0.74 0.19 -0.61 119.66 127.40 2o3o s GLN 186 Ca 0.13 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.59 2o3o s GLN 186 Cb -0.11 -0.01 -0.02 0.00 1.10 0.00 0.00 33.01 33.96 2o3o s GLN 186 CO 0.02 -0.01 -0.11 0.95 -0.55 0.00 0.00 175.29 175.60 2o3o s THR 187 N 0.06 0.81 -0.02 -0.34 -4.23 -0.09 -0.74 115.64 111.09 2o3o s THR 187 Ca -0.01 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2o3o s THR 187 Cb -0.01 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 73.03 2o3o s THR 187 CO -0.00 -0.26 0.05 -0.89 -0.54 0.00 0.00 174.62 172.97 2o3o s THR 188 N -1.23 -0.01 0.03 3.99 2.01 -1.26 -2.17 115.64 117.00 2o3o s THR 188 Ca -0.05 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2o3o s THR 188 Cb -0.09 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 2o3o s THR 188 CO 0.01 0.01 0.27 -0.76 -0.69 0.00 0.00 174.62 173.47 2o3o s LEU 189 N 0.19 4.36 0.25 4.42 1.43 -1.26 -0.14 118.68 127.93 2o3o s LEU 189 Ca -0.01 0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2o3o s LEU 189 Cb -0.02 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2o3o s LEU 189 CO -0.01 0.22 0.31 -1.83 0.23 0.00 0.00 176.35 175.28 2o3o s GLU 190 N -1.93 1.49 -0.96 1.70 -1.05 0.05 -4.87 118.70 113.13 2o3o s GLU 190 Ca 0.30 -1.58 -0.06 0.00 -0.15 0.00 0.00 54.97 53.48 2o3o s GLU 190 Cb -0.13 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 2o3o s GLU 190 CO 0.18 -0.57 0.82 2.41 0.95 0.00 0.00 175.26 179.05 2o3o n THR 191 N -0.39 -8.69 -2.49 1.83 -1.04 -1.26 -0.03 114.28 102.20 2o3o n THR 191 Ca 0.01 -0.90 -0.41 0.00 -2.04 0.00 0.00 64.05 60.72 2o3o n THR 191 Cb 0.64 -6.14 -0.04 0.00 -1.82 0.00 0.00 70.33 62.97 2o3o n THR 191 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2o3o s PHE 192 N -3.27 3.59 -0.04 -1.42 0.40 -1.26 -4.02 117.98 111.96 2o3o s PHE 192 Ca 0.30 1.64 0.05 0.00 -0.60 0.00 0.00 56.93 58.33 2o3o s PHE 192 Cb -0.06 -3.28 -0.01 0.00 0.51 0.00 0.00 43.02 40.18 2o3o s PHE 192 CO 0.77 -0.60 -0.20 0.15 0.70 0.00 0.00 175.22 176.04 2o3o s LYS 193 N -0.92 2.00 -0.52 0.44 1.02 -0.15 -4.97 119.74 116.64 2o3o s LYS 193 Ca 0.47 -0.71 -0.19 0.00 0.02 0.00 0.00 55.97 55.55 2o3o s LYS 193 Cb -0.31 -1.74 0.06 0.00 -0.52 0.00 0.00 37.83 35.33 2o3o s LYS 193 CO 0.38 0.31 0.65 -0.65 -0.92 0.00 0.00 175.35 175.12 2o3o s GLN 194 N -0.08 3.12 -0.03 1.68 -0.21 -1.26 -0.95 119.66 121.92 2o3o s GLN 194 Ca -0.02 -0.93 0.09 0.00 0.02 0.00 0.00 55.36 54.51 2o3o s GLN 194 Cb -0.12 -4.12 -0.23 0.00 1.00 0.00 0.00 33.01 29.54 2o3o s GLN 194 CO 0.02 -1.28 0.70 -0.84 -2.12 0.00 0.00 175.29 171.77 2o3o h ILE 195 N 5.88 0.92 -2.43 1.08 3.07 -1.63 -3.48 117.51 120.91 2o3o h ILE 195 Ca -0.28 -2.73 -0.08 0.00 1.55 0.00 0.00 64.86 63.32 2o3o h ILE 195 Cb 1.09 2.49 -0.23 0.00 -0.27 0.00 0.00 36.82 39.90 2o3o h ILE 195 CO 0.99 0.60 -0.12 -1.58 -1.05 0.00 0.00 178.15 176.98 2o3o s GLN 196 N -2.61 0.58 0.01 0.16 0.74 -1.21 -5.01 119.66 112.33 2o3o s GLN 196 Ca -0.06 0.82 -0.02 0.00 0.05 0.00 0.00 55.36 56.14 2o3o s GLN 196 Cb 0.08 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 2o3o s GLN 196 CO 0.82 -0.10 0.20 0.21 -0.55 0.00 0.00 175.29 175.87 2o3o s LYS 197 N 0.73 3.46 0.10 1.67 2.20 -1.26 -0.60 119.74 126.03 2o3o s LYS 197 Ca -0.04 -0.32 -0.18 0.00 -0.36 0.00 0.00 55.97 55.07 2o3o s LYS 197 Cb -0.05 -3.07 0.04 0.00 -1.51 0.00 0.00 37.83 33.24 2o3o s LYS 197 CO -0.05 0.65 0.44 -1.21 -0.36 0.00 0.00 175.35 174.82 2o3o s GLU 198 N -2.09 1.05 0.16 4.03 2.02 0.32 -4.95 118.70 119.24 2o3o s GLU 198 Ca 0.30 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.48 2o3o s GLU 198 Cb -0.13 0.47 -0.08 0.00 0.10 0.00 0.00 34.13 34.49 2o3o s GLU 198 CO 0.21 -0.40 0.81 0.45 0.02 0.00 0.00 175.26 176.35 2o3o s SER 199 N -2.51 7.42 0.04 -0.19 0.15 -1.26 -0.52 113.70 116.83 2o3o s SER 199 Ca -0.00 1.68 0.02 0.00 0.70 0.00 0.00 55.95 58.35 2o3o s SER 199 Cb 0.01 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2o3o s SER 199 CO -0.09 0.16 0.06 -0.76 1.20 0.00 0.00 173.24 173.82 2o3o s LEU 200 N -0.96 3.75 0.42 3.45 1.43 -0.34 -3.49 118.68 122.93 2o3o s LEU 200 Ca 0.37 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.24 2o3o s LEU 200 Cb -0.23 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 2o3o s LEU 200 CO 0.27 0.22 1.24 0.27 0.23 0.00 0.00 176.35 178.57 2o3o s ILE 201 N -1.28 2.85 0.84 -0.59 -4.36 0.05 -4.16 121.20 114.57 2o3o s ILE 201 Ca 0.26 0.73 -0.11 0.00 -0.26 0.00 0.00 60.65 61.26 2o3o s ILE 201 Cb -0.12 -3.41 0.10 0.00 1.25 0.00 0.00 42.46 40.28 2o3o s ILE 201 CO 0.17 0.07 1.10 0.42 0.24 0.00 0.00 174.94 176.94 2o3o s THR 202 N -1.35 2.91 -0.45 8.37 -4.23 -1.26 -4.81 115.64 114.81 2o3o s THR 202 Ca 0.58 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2o3o s THR 202 Cb -0.34 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2o3o s THR 202 CO 0.43 -0.38 0.00 -0.62 -0.54 0.00 0.00 174.62 173.51 2o3o n GLU 203 N -3.78 0.00 0.00 3.99 1.02 -1.13 -1.90 120.64 118.85 2o3o n GLU 203 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2o3o n GLU 203 Cb 0.54 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 2o3o n GLU 203 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2o3o n ASP 205 N 0.39 0.00 0.23 1.62 10.43 -1.26 -2.85 116.55 125.11 2o3o n ASP 205 Ca 0.00 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.42 2o3o n ASP 205 Cb 0.00 0.00 0.53 0.00 1.84 0.00 0.00 41.12 43.49 2o3o n ASP 205 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2o3o h ALA 206 N 0.00 1.75 0.04 2.24 0.00 -1.69 -1.23 119.26 120.38 2o3o h ALA 206 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 2o3o h ALA 206 Cb 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2o3o h ALA 206 CO 0.00 0.19 -0.68 0.28 0.00 0.00 0.00 179.25 179.04 2o3o h VAL 207 N 0.00 1.45 -0.80 0.00 2.07 -1.81 -2.31 116.25 114.85 2o3o h VAL 207 Ca -0.00 -2.22 0.09 0.00 0.82 0.00 0.00 66.70 65.39 2o3o h VAL 207 Cb 0.26 2.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.74 2o3o h VAL 207 CO 0.02 0.64 0.45 -0.33 0.02 0.00 0.00 177.57 178.37 2o3o h GLU 208 N -0.18 0.73 -0.55 1.57 5.08 -1.77 -1.18 114.58 118.28 2o3o h GLU 208 Ca -0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2o3o h GLU 208 Cb 1.42 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2o3o h GLU 208 CO 0.13 0.48 0.30 1.25 -1.00 0.00 0.00 179.01 180.17 2o3o h LEU 209 N 0.75 0.69 0.19 1.33 5.85 -1.24 -0.63 115.31 122.25 2o3o h LEU 209 Ca 0.38 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2o3o h LEU 209 Cb 0.36 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2o3o h LEU 209 CO -0.25 0.58 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.20 2o3o h LEU 210 N 0.74 -0.44 -0.88 2.25 3.38 -0.83 -2.27 115.31 117.25 2o3o h LEU 210 Ca 0.19 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.26 2o3o h LEU 210 Cb 0.05 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2o3o h LEU 210 CO -0.03 -0.26 0.56 0.22 0.09 0.00 0.00 178.44 179.02 2o3o h TYR 211 N -0.38 1.04 -0.05 1.13 3.20 -0.93 -2.24 116.97 118.73 2o3o h TYR 211 Ca -0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2o3o h TYR 211 Cb 0.35 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2o3o h TYR 211 CO -0.13 0.55 -0.15 -0.92 -1.64 0.00 0.00 178.16 175.86 2o3o h TYR 212 N 1.04 -0.39 0.00 -3.82 3.20 -0.99 -1.10 116.97 114.90 2o3o h TYR 212 Ca 0.37 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2o3o h TYR 212 Cb 0.12 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2o3o h TYR 212 CO -0.02 -0.22 0.00 1.04 -1.64 0.00 0.00 178.16 177.31 2o3o n GLN 213 N -5.29 0.65 -1.06 1.82 6.02 -0.87 -4.81 117.38 113.85 2o3o n GLN 213 Ca -0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.93 2o3o n GLN 213 Cb 0.21 -1.13 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 2o3o n GLN 213 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2o3o n ASN 214 N -0.22 -3.26 0.05 1.08 5.15 -0.42 -4.92 115.26 112.72 2o3o n ASN 214 Ca 0.00 0.05 0.12 0.00 -0.60 0.00 0.00 54.58 54.15 2o3o n ASN 214 Cb 0.07 -0.95 0.13 0.00 -0.53 0.00 0.00 39.78 38.50 2o3o n ASN 214 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2o3o n GLN 215 N -2.93 0.29 -3.94 1.20 1.13 -0.93 -4.84 117.38 107.35 2o3o n GLN 215 Ca -0.02 0.06 -0.35 0.00 -1.94 0.00 0.00 57.00 54.75 2o3o n GLN 215 Cb 0.07 -1.66 -0.13 0.00 0.11 0.00 0.00 30.24 28.63 2o3o n GLN 215 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2o3o s LEU 216 N -4.13 3.18 0.62 1.08 1.43 -1.26 -4.99 118.68 114.62 2o3o s LEU 216 Ca 0.06 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 2o3o s LEU 216 Cb 0.14 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2o3o s LEU 216 CO 0.74 0.01 1.05 -0.54 0.23 0.00 0.00 176.35 177.84 2o3o s LYS 217 N 1.32 3.30 0.45 1.70 1.02 -1.26 -4.98 119.74 121.29 2o3o s LYS 217 Ca 0.04 1.04 -0.25 0.00 0.02 0.00 0.00 55.97 56.83 2o3o s LYS 217 Cb -0.15 -2.04 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 2o3o s LYS 217 CO 0.01 -0.82 1.40 0.39 -0.92 0.00 0.00 175.35 175.41 2o3o n GLU 218 N -2.41 2.17 -2.99 1.68 1.02 -1.26 -3.50 120.64 115.35 2o3o n GLU 218 Ca 0.08 0.78 -0.07 0.00 -0.02 0.00 0.00 57.16 57.92 2o3o n GLU 218 Cb 0.53 -2.59 0.01 0.00 -0.02 0.00 0.00 31.44 29.37 2o3o n GLU 218 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2o3o n TYR 219 N -0.25 -3.22 -3.96 -0.32 4.02 0.42 -5.06 117.16 108.80 2o3o n TYR 219 Ca 0.06 1.28 -0.09 0.00 -0.01 0.00 0.00 57.90 59.14 2o3o n TYR 219 Cb 0.41 -3.94 -0.10 0.00 -0.02 0.00 0.00 39.34 35.70 2o3o n TYR 219 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2o3o s SER 220 N -2.70 0.23 -0.08 7.72 1.04 -1.22 -4.84 113.70 113.85 2o3o s SER 220 Ca 0.16 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 56.01 2o3o s SER 220 Cb -0.04 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2o3o s SER 220 CO 0.77 -0.50 -0.13 -0.89 0.98 0.00 0.00 173.24 173.47 2o3o s THR 221 N -2.71 1.24 -0.25 2.02 2.01 -0.98 -2.25 115.64 114.72 2o3o s THR 221 Ca -0.04 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2o3o s THR 221 Cb -0.01 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2o3o s THR 221 CO -0.05 0.39 1.08 -0.69 -0.69 0.00 0.00 174.62 174.66 2o3o s VAL 222 N 0.88 4.57 -0.17 3.82 1.01 -0.69 -1.60 120.40 128.21 2o3o s VAL 222 Ca -0.10 1.88 -0.18 0.00 0.00 0.00 0.00 61.98 63.57 2o3o s VAL 222 Cb -0.15 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 2o3o s VAL 222 CO 0.01 -0.26 0.19 0.11 0.00 0.00 0.00 175.10 175.15 2o3o h LYS 223 N 7.76 0.00 -4.24 2.72 1.79 -0.79 -3.26 116.57 120.55 2o3o h LYS 223 Ca -0.20 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.12 2o3o h LYS 223 Cb 1.07 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.57 2o3o h LYS 223 CO 0.99 0.69 -0.58 -1.54 -1.08 0.00 0.00 179.45 177.94 2o3o s SER 224 N -6.40 0.30 -0.41 0.86 1.04 -1.21 -4.85 113.70 103.02 2o3o s SER 224 Ca -0.22 -1.05 0.04 0.00 0.48 0.00 0.00 55.95 55.20 2o3o s SER 224 Cb 0.03 0.30 0.17 0.00 0.10 0.00 0.00 66.02 66.61 2o3o s SER 224 CO 0.48 -0.72 0.45 0.00 0.98 0.00 0.00 173.24 174.42 2o3o s LYS 226 N 1.00 3.78 0.12 0.00 -0.14 -0.31 -4.83 119.74 119.36 2o3o s LYS 226 Ca 0.23 0.22 -0.05 0.00 -1.36 0.00 0.00 55.97 55.02 2o3o s LYS 226 Cb -0.07 -2.74 -0.05 0.00 -1.68 0.00 0.00 37.83 33.28 2o3o s LYS 226 CO -0.07 0.38 0.35 0.12 -0.76 0.00 0.00 175.35 175.37 2o3o s PHE 227 N -1.72 3.50 0.00 3.18 2.19 -1.26 -0.13 117.98 123.74 2o3o s PHE 227 Ca 0.44 0.54 0.00 0.00 0.33 0.00 0.00 56.93 58.24 2o3o s PHE 227 Cb -0.12 -1.99 0.00 0.00 -1.31 0.00 0.00 43.02 39.60 2o3o s PHE 227 CO 0.21 0.48 0.00 0.41 1.83 0.00 0.00 175.22 178.15 2o3o n GLY 228 N 0.28 1.34 3.16 13.12 0.00 -0.84 -4.43 105.19 117.82 2o3o n GLY 228 Ca -0.04 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2o3o n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o3o s TYR 229 N -2.37 0.99 0.08 1.61 1.51 -0.61 -0.22 117.35 118.34 2o3o s TYR 229 Ca 0.00 -0.70 0.05 0.00 -1.01 0.00 0.00 57.07 55.41 2o3o s TYR 229 Cb 0.00 -0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 2o3o s TYR 229 CO 0.00 -0.04 -0.13 0.14 -1.11 0.00 0.00 175.55 174.41 2o3o s VAL 230 N -2.63 1.08 0.03 0.71 -7.23 -0.64 -0.62 120.40 111.10 2o3o s VAL 230 Ca 0.06 -1.42 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 2o3o s VAL 230 Cb -0.02 -1.17 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 2o3o s VAL 230 CO -0.01 -0.33 1.96 0.00 -0.31 0.00 0.00 175.10 176.41 2o3o n ALA 231 N 1.03 1.55 -0.10 1.32 0.00 -1.26 -2.38 120.51 120.67 2o3o n ALA 231 Ca -0.19 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 2o3o n ALA 231 Cb 0.55 -2.66 -0.12 0.00 0.00 0.00 0.00 19.45 17.22 2o3o n ALA 231 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2o3o n GLN 232 N 7.36 0.61 -3.52 0.00 7.27 -0.32 -4.96 117.38 123.82 2o3o n GLN 232 Ca 0.20 0.42 -0.09 0.00 0.07 0.00 0.00 57.00 57.60 2o3o n GLN 232 Cb 0.40 -1.66 -0.02 0.00 2.41 0.00 0.00 30.24 31.37 2o3o n GLN 232 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2o3o s TYR 233 N -2.44 -0.36 0.19 3.69 -0.85 -1.21 -5.06 117.35 111.31 2o3o s TYR 233 Ca -0.31 0.19 -0.07 0.00 -0.52 0.00 0.00 57.07 56.35 2o3o s TYR 233 Cb 0.09 0.56 -0.06 0.00 0.38 0.00 0.00 41.96 42.92 2o3o s TYR 233 CO 0.59 -0.66 0.47 -1.25 -1.52 0.00 0.00 175.55 173.18 2o3o s PRO 234 N -3.30 3.72 -0.35 -3.49 0.04 -1.26 -2.19 135.00 128.17 2o3o s PRO 234 Ca 0.05 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2o3o s PRO 234 Cb -0.01 -2.74 0.11 0.00 0.04 0.00 0.00 34.50 31.90 2o3o s PRO 234 CO -0.08 0.39 0.14 -0.51 0.04 0.00 0.00 177.00 176.98 2o3o s LEU 235 N -2.74 2.35 0.00 -3.56 1.43 0.73 -4.96 118.68 111.93 2o3o s LEU 235 Ca 0.44 -1.96 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 2o3o s LEU 235 Cb -0.12 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2o3o s LEU 235 CO 0.23 -0.37 0.00 0.41 0.23 0.00 0.00 176.35 176.85 2o3o n THR 236 N 4.42 0.00 -0.25 5.49 -1.04 -1.26 -1.13 114.28 120.51 2o3o n THR 236 Ca 0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.04 2o3o n THR 236 Cb 0.40 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 69.14 2o3o n THR 236 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2o3o n SER 237 N 4.95 3.93 -4.16 8.00 2.88 -1.26 -4.87 113.62 123.08 2o3o n SER 237 Ca 0.00 -2.67 -0.20 0.00 -1.33 0.00 0.00 58.87 54.66 2o3o n SER 237 Cb 0.00 -0.64 -0.13 0.00 -0.75 0.00 0.00 64.21 62.69 2o3o n SER 237 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2o3o s THR 238 N -2.12 1.18 0.11 2.46 2.01 -0.29 -2.34 115.64 116.64 2o3o s THR 238 Ca 0.35 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 61.27 2o3o s THR 238 Cb 0.27 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2o3o s THR 238 CO 0.10 -0.04 0.09 -1.10 -0.69 0.00 0.00 174.62 172.97 2o3o s GLN 239 N -1.33 2.86 -0.15 4.92 -1.52 0.27 -0.19 119.66 124.52 2o3o s GLN 239 Ca 0.01 -0.76 0.02 0.00 -1.95 0.00 0.00 55.36 52.68 2o3o s GLN 239 Cb -0.09 -2.69 0.01 0.00 -0.22 0.00 0.00 33.01 30.03 2o3o s GLN 239 CO 0.02 0.54 -0.20 0.08 -0.25 0.00 0.00 175.29 175.47 2o3o s VAL 240 N -1.50 1.97 0.30 1.09 1.01 -0.93 -1.47 120.40 120.87 2o3o s VAL 240 Ca 0.30 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.46 2o3o s VAL 240 Cb -0.11 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2o3o s VAL 240 CO 0.22 0.53 0.03 -0.76 0.00 0.00 0.00 175.10 175.13 2o3o s LEU 241 N 1.03 3.16 0.01 3.92 1.43 0.23 -1.18 118.68 127.27 2o3o s LEU 241 Ca -0.02 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 2o3o s LEU 241 Cb -0.14 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2o3o s LEU 241 CO -0.06 -0.13 0.29 0.00 0.23 0.00 0.00 176.35 176.68 2o3o s ALA 242 N -2.40 -0.70 0.41 4.21 0.00 -1.00 -2.77 121.76 119.52 2o3o s ALA 242 Ca 0.34 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 2o3o s ALA 242 Cb -0.04 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 2o3o s ALA 242 CO 0.20 -0.30 1.04 -1.25 0.00 0.00 0.00 175.76 175.46 2o3o s PRO 243 N -1.72 4.13 0.12 0.00 0.04 -1.26 -1.63 135.00 134.69 2o3o s PRO 243 Ca -0.11 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 62.41 2o3o s PRO 243 Cb -0.04 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 2o3o s PRO 243 CO 0.02 -0.17 0.03 0.14 0.04 0.00 0.00 177.00 177.06 2o3o s VAL 244 N -1.70 0.26 -0.05 -0.36 -7.23 0.69 -2.00 120.40 110.00 2o3o s VAL 244 Ca 0.59 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 2o3o s VAL 244 Cb -0.21 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2o3o s VAL 244 CO 0.26 -0.57 -0.08 0.26 -0.31 0.00 0.00 175.10 174.67 2o3o s TRP 245 N -3.94 2.89 -0.31 2.82 0.52 0.13 -1.99 118.94 119.07 2o3o s TRP 245 Ca 0.21 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.29 2o3o s TRP 245 Cb 0.07 -1.68 0.05 0.00 -1.15 0.00 0.00 33.47 30.77 2o3o s TRP 245 CO 0.00 0.32 0.03 0.50 0.02 0.00 0.00 176.95 177.82 2o3o s ARG 246 N -0.94 2.42 -0.12 4.98 6.06 0.82 -1.06 118.95 131.12 2o3o s ARG 246 Ca 0.13 -1.29 -0.02 0.00 -2.50 0.00 0.00 55.73 52.04 2o3o s ARG 246 Cb -0.11 -3.25 -0.03 0.00 0.06 0.00 0.00 34.95 31.62 2o3o s ARG 246 CO 0.03 -0.66 -0.02 0.42 -2.50 0.00 0.00 175.30 172.57 2o3o s ILE 247 N 1.26 4.07 -0.29 4.11 1.01 0.07 -1.16 121.20 130.27 2o3o s ILE 247 Ca -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 2o3o s ILE 247 Cb -0.20 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.56 2o3o s ILE 247 CO -0.01 0.55 0.03 -0.89 0.00 0.00 0.00 174.94 174.62 2o3o s THR 248 N -0.30 3.42 0.20 2.92 2.01 -0.95 -0.80 115.64 122.14 2o3o s THR 248 Ca 0.06 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.11 2o3o s THR 248 Cb -0.12 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2o3o s THR 248 CO 0.02 0.02 0.07 -0.69 -0.69 0.00 0.00 174.62 173.36 2o3o s VAL 249 N 1.38 4.03 0.18 3.82 1.01 -1.03 -0.04 120.40 129.74 2o3o s VAL 249 Ca -0.01 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 2o3o s VAL 249 Cb -0.18 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.15 2o3o s VAL 249 CO -0.00 -0.19 0.49 -1.83 0.00 0.00 0.00 175.10 173.57 2o3o s GLU 250 N -3.24 1.30 0.00 2.72 -1.05 -0.63 -1.49 118.70 116.31 2o3o s GLU 250 Ca 0.30 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 2o3o s GLU 250 Cb -0.09 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2o3o s GLU 250 CO 0.21 -0.54 0.20 2.48 0.95 0.00 0.00 175.26 178.56 2o3o n TYR 251 N -0.31 0.00 -3.94 4.83 0.18 -1.26 -2.32 117.16 114.33 2o3o n TYR 251 Ca -0.11 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.36 2o3o n TYR 251 Cb 0.63 0.18 -0.15 0.00 -0.38 0.00 0.00 39.34 39.62 2o3o n TYR 251 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2o3o s THR 261 N 0.00 1.80 0.57 -3.48 2.01 -1.26 -5.08 115.64 110.20 2o3o s THR 261 Ca 0.00 -1.84 -0.16 0.00 0.31 0.00 0.00 61.69 60.01 2o3o s THR 261 Cb 0.00 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 2o3o s THR 261 CO 0.00 -0.46 1.03 -0.69 -0.69 0.00 0.00 174.62 173.80 2o3o s VAL 262 N 1.18 4.17 -0.10 3.82 1.01 -1.26 -5.07 120.40 124.15 2o3o s VAL 262 Ca 0.05 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.07 2o3o s VAL 262 Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2o3o s VAL 262 CO -0.11 -0.64 -0.24 -1.10 0.00 0.00 0.00 175.10 173.01 2o3o s GLN 263 N -4.19 3.02 0.26 2.72 -0.21 -1.26 -4.41 119.66 115.59 2o3o s GLN 263 Ca 0.61 -0.87 0.08 0.00 0.02 0.00 0.00 55.36 55.20 2o3o s GLN 263 Cb -0.13 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 2o3o s GLN 263 CO 0.37 0.18 0.10 -1.21 -2.12 0.00 0.00 175.29 172.60 2o3o s GLU 264 N 0.34 2.62 0.01 2.91 2.02 -0.55 -5.01 118.70 121.04 2o3o s GLU 264 Ca -0.19 -1.23 0.06 0.00 0.02 0.00 0.00 54.97 53.64 2o3o s GLU 264 Cb -0.18 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 2o3o s GLU 264 CO 0.09 0.38 -0.20 0.71 0.02 0.00 0.00 175.26 176.27 2o3o s TYR 265 N -2.22 1.74 0.03 1.61 1.51 -1.26 -2.48 117.35 116.28 2o3o s TYR 265 Ca 0.32 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2o3o s TYR 265 Cb -0.07 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 2o3o s TYR 265 CO 0.22 0.02 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.54 2o3o s PHE 266 N -0.60 0.73 -0.31 2.71 0.40 0.02 -4.98 117.98 115.96 2o3o s PHE 266 Ca 0.07 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 2o3o s PHE 266 Cb -0.08 -0.43 0.09 0.00 0.51 0.00 0.00 43.02 43.11 2o3o s PHE 266 CO 0.00 -0.05 0.03 0.99 0.70 0.00 0.00 175.22 176.89 2o3o s THR 267 N -1.07 1.81 -0.12 0.64 2.01 -1.26 -0.75 115.64 116.90 2o3o s THR 267 Ca -0.06 -1.87 -0.06 0.00 0.31 0.00 0.00 61.69 60.01 2o3o s THR 267 Cb -0.08 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2o3o s THR 267 CO 0.01 -0.48 0.11 -0.69 -0.69 0.00 0.00 174.62 172.88 2o3o s VAL 268 N 1.17 5.24 0.07 3.82 1.01 -0.22 -4.93 120.40 126.55 2o3o s VAL 268 Ca 0.06 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 2o3o s VAL 268 Cb -0.19 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 2o3o s VAL 268 CO -0.11 0.59 1.21 0.21 0.00 0.00 0.00 175.10 177.01 2o3o s ASN 269 N -0.82 7.06 0.00 3.32 3.04 -1.26 0.20 114.94 126.48 2o3o s ASN 269 Ca 0.13 2.04 0.27 0.00 0.04 0.00 0.00 52.86 55.35 2o3o s ASN 269 Cb -0.12 -2.58 0.86 0.00 -1.54 0.00 0.00 41.25 37.88 2o3o s ASN 269 CO 0.03 -0.49 1.63 0.00 -3.04 0.00 0.00 177.10 175.24 2o3o n ALA 270 N 3.94 2.84 -2.44 1.71 0.00 -0.85 -4.85 120.51 120.86 2o3o n ALA 270 Ca 0.09 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 2o3o n ALA 270 Cb 0.46 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 2o3o n ALA 270 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o3o s LEU 271 N -2.26 4.43 0.00 0.00 1.43 -1.26 -0.77 118.68 120.26 2o3o s LEU 271 Ca 0.31 1.50 0.25 0.00 -1.03 0.00 0.00 54.13 55.16 2o3o s LEU 271 Cb 0.20 -3.31 0.51 0.00 0.03 0.00 0.00 46.19 43.62 2o3o s LEU 271 CO 0.43 -0.04 1.42 1.21 0.23 0.00 0.00 176.35 179.59 2o3o n GLU 272 N 3.03 0.08 -2.74 1.70 2.13 -1.23 -4.83 120.64 118.78 2o3o n GLU 272 Ca -0.01 -0.05 -0.41 0.00 0.66 0.00 0.00 57.16 57.36 2o3o n GLU 272 Cb 0.50 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.67 2o3o n GLU 272 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2o3o s SER 273 N -2.95 7.48 0.00 4.31 1.04 -1.26 -4.93 113.70 117.38 2o3o s SER 273 Ca 0.12 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2o3o s SER 273 Cb 0.18 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2o3o s SER 273 CO 0.69 -0.07 0.00 0.35 0.98 0.00 0.00 173.24 175.19 2o3o n THR 274 N 2.83 0.00 -3.18 2.02 -2.24 -1.26 -5.05 114.28 107.40 2o3o n THR 274 Ca 0.02 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.35 2o3o n THR 274 Cb 0.49 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 2o3o n THR 274 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2o3o s ILE 275 N -1.00 4.95 0.19 2.28 1.01 -1.26 -4.93 121.20 122.44 2o3o s ILE 275 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 2o3o s ILE 275 Cb 0.00 -4.43 0.05 0.00 0.01 0.00 0.00 42.46 38.09 2o3o s ILE 275 CO 0.00 -1.02 1.62 -0.07 0.00 0.00 0.00 174.94 175.47 2o3o h LEU 276 N 9.61 0.94 0.00 2.97 3.38 -2.04 -3.56 115.31 126.61 2o3o h LEU 276 Ca -0.29 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2o3o h LEU 276 Cb 1.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2o3o h LEU 276 CO 1.07 1.07 0.00 -0.67 0.09 0.00 0.00 178.44 180.00