#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 0.03 -0.51 -1.58 4.07 -1.26 -4.62 120.64 116.77 2o3o n GLU 35 Ca 0.00 0.00 0.43 0.00 -0.06 0.00 0.00 57.16 57.53 2o3o n GLU 35 Cb 0.00 -0.61 0.75 0.00 -0.06 0.00 0.00 31.44 31.52 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 0.14 0.00 4.31 -0.00 -2.05 -1.43 116.97 117.94 2o3o h TYR 36 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 58.73 58.74 2o3o h TYR 36 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 36.73 36.91 2o3o h TYR 36 CO 0.00 -0.04 -0.00 1.49 -0.00 0.00 0.00 178.16 179.61 2o3o h GLU 37 N 0.04 -0.00 -0.92 0.10 4.57 -1.98 -1.69 114.58 114.70 2o3o h GLU 37 Ca 0.78 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 59.22 2o3o h GLU 37 Cb 2.93 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 31.37 2o3o h GLU 37 CO -0.11 0.96 0.28 0.28 -1.18 0.00 0.00 179.01 179.24 2o3o h VAL 38 N -0.97 0.26 0.06 0.32 2.07 -1.58 -0.95 116.25 115.46 2o3o h VAL 38 Ca -0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2o3o h VAL 38 Cb 0.96 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2o3o h VAL 38 CO 0.00 0.03 -0.03 0.40 0.02 0.00 0.00 177.57 177.99 2o3o h ILE 39 N 0.19 1.25 -1.00 4.57 1.08 -1.40 -1.57 117.51 120.63 2o3o h ILE 39 Ca 0.61 -1.39 0.24 0.00 -0.39 0.00 0.00 64.86 63.92 2o3o h ILE 39 Cb 1.29 2.11 -0.09 0.00 -3.07 0.00 0.00 36.82 37.06 2o3o h ILE 39 CO -0.69 0.33 0.64 0.11 -0.69 0.00 0.00 178.15 177.85 2o3o h LYS 40 N -0.75 0.43 0.00 2.37 1.57 -0.28 0.37 116.57 120.29 2o3o h LYS 40 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2o3o h LYS 40 Cb 0.61 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2o3o h LYS 40 CO 0.01 0.29 -1.28 0.27 -0.57 0.00 0.00 179.45 178.17 2o3o n ASN 41 N -4.61 0.70 -0.35 0.86 0.23 -0.47 -1.74 115.26 109.89 2o3o n ASN 41 Ca 0.23 0.28 0.01 0.00 -0.53 0.00 0.00 54.58 54.57 2o3o n ASN 41 Cb 0.78 0.63 0.15 0.00 -2.08 0.00 0.00 39.78 39.26 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 1.01 -0.07 0.53 5.19 0.31 0.35 116.42 123.74 2o3o h ASP 42 Ca -0.05 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 2o3o h ASP 42 Cb 1.17 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 2o3o h ASP 42 CO 0.01 0.67 -0.04 0.58 -3.12 0.00 0.00 179.24 177.34 2o3o h VAL 43 N 1.16 1.32 -0.73 -1.35 2.07 -0.46 -1.99 116.25 116.27 2o3o h VAL 43 Ca 0.40 -1.05 0.15 0.00 0.82 0.00 0.00 66.70 67.03 2o3o h VAL 43 Cb 0.09 1.87 -0.11 0.00 -1.52 0.00 0.00 31.29 31.63 2o3o h VAL 43 CO -0.15 0.29 0.20 -0.08 0.02 0.00 0.00 177.57 177.85 2o3o h GLU 44 N -0.22 0.29 -0.11 1.57 4.57 -0.91 -1.52 114.58 118.25 2o3o h GLU 44 Ca 0.02 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2o3o h GLU 44 Cb 0.48 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2o3o h GLU 44 CO 0.01 0.19 0.03 1.25 -1.18 0.00 0.00 179.01 179.32 2o3o h HIS 45 N 0.30 0.17 0.00 0.92 2.76 -0.23 -2.45 115.15 116.63 2o3o h HIS 45 Ca 0.41 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2o3o h HIS 45 Cb 0.68 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2o3o h HIS 45 CO -0.24 0.30 0.00 -0.25 -1.30 0.00 0.00 177.93 176.44 2o3o n ASP 46 N -4.89 0.00 0.00 3.26 10.43 -0.57 -1.97 116.55 122.80 2o3o n ASP 46 Ca -0.06 -0.04 0.00 0.00 2.57 0.00 0.00 54.79 57.26 2o3o n ASP 46 Cb 0.13 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.09 2o3o n ASP 46 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2o3o n LYS 48 N 1.00 0.00 0.32 -1.24 3.00 -0.92 -2.21 118.16 118.10 2o3o n LYS 48 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.50 2o3o n LYS 48 Cb 0.00 0.00 1.07 0.00 0.00 0.00 0.00 35.03 36.10 2o3o n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2o3o h ALA 49 N 0.00 1.20 -0.57 3.14 0.00 -1.68 0.20 119.26 121.54 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 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 2o3o n ASP 50 N -3.38 3.47 -3.54 0.00 9.92 -0.94 -4.97 116.55 117.11 2o3o n ASP 50 Ca -0.03 -1.98 -0.21 0.00 -0.53 0.00 0.00 54.79 52.03 2o3o n ASP 50 Cb 0.09 -0.38 0.08 0.00 -0.64 0.00 0.00 41.12 40.28 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 1.42 -2.60 -3.51 1.24 8.25 0.69 -1.35 115.22 119.37 2o3o n HIS 51 Ca 0.21 0.98 -0.37 0.00 -0.26 0.00 0.00 57.72 58.29 2o3o n HIS 51 Cb 0.57 -5.04 -0.07 0.00 1.12 0.00 0.00 29.99 26.57 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 -3.34 5.25 -0.53 1.59 1.01 -1.26 -3.95 121.20 119.97 2o3o s ILE 52 Ca 0.36 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.59 2o3o s ILE 52 Cb -0.16 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 38.78 2o3o s ILE 52 CO 0.73 0.42 0.38 -0.89 0.00 0.00 0.00 174.94 175.59 2o3o s THR 53 N 0.13 4.07 -0.28 2.92 2.01 -1.09 -4.76 115.64 118.63 2o3o s THR 53 Ca 0.19 -2.17 -0.13 0.00 0.31 0.00 0.00 61.69 59.89 2o3o s THR 53 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2o3o s THR 53 CO 0.07 -0.81 0.29 -0.72 -0.69 0.00 0.00 174.62 172.75 2o3o s TYR 54 N 0.88 3.23 0.00 4.92 -0.85 -1.26 -2.69 117.35 121.58 2o3o s TYR 54 Ca 0.10 0.23 -0.13 0.00 -0.52 0.00 0.00 57.07 56.74 2o3o s TYR 54 Cb -0.23 -2.49 0.02 0.00 0.38 0.00 0.00 41.96 39.64 2o3o s TYR 54 CO -0.03 -0.22 0.28 -1.21 -1.52 0.00 0.00 175.55 172.85 2o3o s GLU 55 N 1.91 0.67 -0.55 -3.49 2.02 -1.26 -4.87 118.70 113.14 2o3o s GLU 55 Ca 0.11 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.79 2o3o s GLU 55 Cb -0.16 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.36 2o3o s GLU 55 CO 0.11 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2o3o n GLY 56 N 1.13 0.63 3.55 -1.39 0.00 -1.26 -5.00 105.19 102.85 2o3o n GLY 56 Ca -0.21 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.32 4.43 -0.28 0.99 1.43 -1.26 -4.98 118.68 117.69 2o3o s LEU 57 Ca 0.00 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2o3o s LEU 57 Cb 0.00 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.79 2o3o s LEU 57 CO 0.00 -0.35 2.24 -3.20 0.23 0.00 0.00 176.35 175.27 2o3o n ASN 58 N 5.41 2.90 0.08 2.29 5.15 -1.26 -4.85 115.26 124.98 2o3o n ASN 58 Ca -0.09 0.19 0.13 0.00 -0.60 0.00 0.00 54.58 54.21 2o3o n ASN 58 Cb 0.49 -1.49 0.30 0.00 -0.53 0.00 0.00 39.78 38.55 2o3o n ASN 58 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2o3o n LYS 59 N 8.66 0.28 -3.54 1.20 5.02 -1.26 -3.14 118.16 125.37 2o3o n LYS 59 Ca 0.33 0.16 -0.37 0.00 -2.02 0.00 0.00 58.31 56.41 2o3o n LYS 59 Cb 0.40 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 2o3o n LYS 59 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2o3o s GLU 60 N -3.13 3.85 0.54 1.97 0.41 -1.26 -4.91 118.70 116.17 2o3o s GLU 60 Ca 0.09 0.32 -0.19 0.00 -0.41 0.00 0.00 54.97 54.78 2o3o s GLU 60 Cb 0.13 -3.16 -0.06 0.00 -1.78 0.00 0.00 34.13 29.26 2o3o s GLU 60 CO 0.65 0.66 1.09 0.00 -0.49 0.00 0.00 175.26 177.17 2o3o s ALA 61 N -1.16 2.74 0.37 5.21 0.00 -1.26 -4.82 121.76 122.83 2o3o s ALA 61 Ca 0.26 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.91 2o3o s ALA 61 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2o3o s ALA 61 CO 0.14 -0.67 0.10 0.95 0.00 0.00 0.00 175.76 176.28 2o3o s THR 62 N -2.00 0.83 0.30 0.00 -4.23 -1.26 -5.04 115.64 104.24 2o3o s THR 62 Ca 0.69 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 2o3o s THR 62 Cb -0.20 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 2o3o s THR 62 CO 0.27 0.00 0.30 -1.61 -0.54 0.00 0.00 174.62 173.04 2o3o s GLU 63 N -3.81 2.92 -0.14 3.99 0.41 -1.26 -1.34 118.70 119.47 2o3o s GLU 63 Ca 0.29 -1.13 -0.34 0.00 -0.41 0.00 0.00 54.97 53.39 2o3o s GLU 63 Cb 0.05 -2.60 0.13 0.00 -1.78 0.00 0.00 34.13 29.93 2o3o s GLU 63 CO 0.15 0.21 1.18 0.20 -0.49 0.00 0.00 175.26 176.51 2o3o s GLY 64 N -3.98 -0.33 0.25 -1.39 0.00 -0.59 -4.83 107.32 96.45 2o3o s GLY 64 Ca 0.38 1.38 0.10 0.00 0.00 0.00 0.00 44.72 46.58 2o3o s GLY 64 CO 0.27 0.44 -0.07 -0.19 0.00 0.00 0.00 173.10 173.55 2o3o s TYR 65 N -2.52 2.59 -0.22 1.90 1.51 -1.26 -0.31 117.35 119.03 2o3o s TYR 65 Ca 0.10 -0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 55.79 2o3o s TYR 65 Cb -0.00 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2o3o s TYR 65 CO -0.05 0.62 0.23 0.50 -1.11 0.00 0.00 175.55 175.74 2o3o s ARG 66 N -3.43 4.11 0.02 -0.62 3.52 -0.31 -4.29 118.95 117.96 2o3o s ARG 66 Ca 0.29 -0.12 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 2o3o s ARG 66 Cb -0.07 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2o3o s ARG 66 CO 0.18 0.05 -0.06 0.42 -0.81 0.00 0.00 175.30 175.07 2o3o s ILE 67 N 1.09 3.69 0.09 4.11 -1.09 -0.99 -1.57 121.20 126.53 2o3o s ILE 67 Ca 0.11 -0.84 0.10 0.00 -2.23 0.00 0.00 60.65 57.79 2o3o s ILE 67 Cb -0.14 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 2o3o s ILE 67 CO 0.05 0.33 -0.25 0.42 -1.23 0.00 0.00 174.94 174.27 2o3o s THR 68 N -1.06 2.36 0.03 2.92 -4.23 -0.49 -0.27 115.64 114.90 2o3o s THR 68 Ca 0.19 -1.54 -0.06 0.00 -1.18 0.00 0.00 61.69 59.10 2o3o s THR 68 Cb -0.11 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 2o3o s THR 68 CO 0.09 0.21 0.10 0.00 -0.54 0.00 0.00 174.62 174.49 2o3o s ALA 69 N -0.97 -0.12 0.10 3.99 0.00 -0.64 -0.74 121.76 123.37 2o3o s ALA 69 Ca 0.14 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 2o3o s ALA 69 Cb -0.10 0.23 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 2o3o s ALA 69 CO 0.05 -0.30 0.44 -0.80 0.00 0.00 0.00 175.76 175.15 2o3o s ASN 70 N -1.98 6.68 -0.26 0.00 0.01 0.11 -1.20 114.94 118.30 2o3o s ASN 70 Ca -0.07 0.86 -0.29 0.00 -0.71 0.00 0.00 52.86 52.65 2o3o s ASN 70 Cb -0.03 -2.20 -0.00 0.00 0.41 0.00 0.00 41.25 39.43 2o3o s ASN 70 CO -0.03 0.15 1.28 -1.58 -1.51 0.00 0.00 177.10 175.41 2o3o s GLN 71 N -1.94 4.01 0.24 -0.60 2.00 -0.87 -0.94 119.66 121.56 2o3o s GLN 71 Ca 0.34 1.37 -0.31 0.00 -2.00 0.00 0.00 55.36 54.76 2o3o s GLN 71 Cb -0.14 -3.84 -0.12 0.00 0.80 0.00 0.00 33.01 29.71 2o3o s GLN 71 CO 0.18 -0.99 1.60 1.17 -0.50 0.00 0.00 175.29 176.75 2o3o n LYS 72 N 7.09 2.55 -3.66 1.67 3.00 0.32 -4.95 118.16 124.18 2o3o n LYS 72 Ca 0.14 0.91 -0.39 0.00 -0.00 0.00 0.00 58.31 58.98 2o3o n LYS 72 Cb 0.46 -2.69 -0.09 0.00 0.00 0.00 0.00 35.03 32.71 2o3o n LYS 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2o3o s SER 73 N 0.70 5.50 0.52 3.14 0.15 -1.26 -4.46 113.70 117.99 2o3o s SER 73 Ca 0.70 -2.19 -0.21 0.00 0.70 0.00 0.00 55.95 54.94 2o3o s SER 73 Cb -0.55 -1.92 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 2o3o s SER 73 CO 0.43 -0.57 1.23 -0.36 1.20 0.00 0.00 173.24 175.17 2o3o s PHE 74 N 0.93 2.58 0.24 3.44 0.40 -0.37 -4.94 117.98 120.24 2o3o s PHE 74 Ca 0.10 1.49 0.11 0.00 -0.60 0.00 0.00 56.93 58.02 2o3o s PHE 74 Cb -0.23 -3.52 -0.05 0.00 0.51 0.00 0.00 43.02 39.74 2o3o s PHE 74 CO -0.03 -2.08 -0.19 -1.54 0.70 0.00 0.00 175.22 172.08 2o3o s SER 75 N -1.33 3.69 0.31 1.36 1.04 -1.26 -4.30 113.70 113.21 2o3o s SER 75 Ca 0.70 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 56.28 2o3o s SER 75 Cb -0.32 -0.38 0.81 0.00 0.10 0.00 0.00 66.02 66.23 2o3o s SER 75 CO 0.37 0.07 1.59 0.50 0.98 0.00 0.00 173.24 176.76 2o3o h LYS 76 N 2.65 0.06 0.13 4.02 3.64 -1.95 -1.82 116.57 123.30 2o3o h LYS 76 Ca -0.43 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.66 2o3o h LYS 76 Cb 1.23 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2o3o h LYS 76 CO 0.55 0.04 -1.23 0.93 -2.27 0.00 0.00 179.45 177.46 2o3o h GLU 77 N 0.06 0.47 -0.61 1.90 5.08 -1.99 -2.96 114.58 116.53 2o3o h GLU 77 Ca 0.61 -0.67 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2o3o h GLU 77 Cb 1.31 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 2o3o h GLU 77 CO -0.83 1.30 0.29 0.93 -1.00 0.00 0.00 179.01 179.70 2o3o h GLU 78 N 0.19 0.86 0.21 2.33 5.08 -1.75 -0.45 114.58 121.04 2o3o h GLU 78 Ca -0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2o3o h GLU 78 Cb 1.92 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2o3o h GLU 78 CO 0.22 0.66 -0.10 0.82 -1.00 0.00 0.00 179.01 179.61 2o3o h ILE 79 N 0.86 0.75 0.00 3.13 2.04 -1.44 -3.13 117.51 119.71 2o3o h ILE 79 Ca 0.21 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2o3o h ILE 79 Cb 0.09 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2o3o h ILE 79 CO -0.03 0.18 0.00 1.05 0.00 0.00 0.00 178.15 179.35 2o3o h GLU 80 N -0.85 0.00 0.00 2.37 4.11 -1.53 -1.43 114.58 117.25 2o3o h GLU 80 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2o3o h GLU 80 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2o3o h GLU 80 CO 0.05 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.13 2o3o n ALA 81 N -1.86 2.23 -2.60 1.06 0.00 -0.18 -4.60 120.51 114.56 2o3o n ALA 81 Ca 0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2o3o n ALA 81 Cb 0.29 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.50 3.53 0.44 0.00 1.43 -0.54 -5.01 118.68 116.03 2o3o s LEU 82 Ca 0.24 -0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 52.91 2o3o s LEU 82 Cb 0.16 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 2o3o s LEU 82 CO 0.35 -1.54 1.16 -0.75 0.23 0.00 0.00 176.35 175.80 2o3o s LYS 83 N 4.95 3.87 -1.55 1.70 2.20 -1.26 -3.24 119.74 126.41 2o3o s LYS 83 Ca 0.37 1.76 -0.07 0.00 -0.36 0.00 0.00 55.97 57.68 2o3o s LYS 83 Cb -0.09 -2.48 0.06 0.00 -1.51 0.00 0.00 37.83 33.81 2o3o s LYS 83 CO 0.21 -0.46 0.48 -0.25 -0.36 0.00 0.00 175.35 174.97 2o3o n ASP 84 N -0.32 -1.16 -3.76 1.43 8.00 -1.26 -4.96 116.55 114.52 2o3o n ASP 84 Ca 0.06 -1.06 -0.13 0.00 0.71 0.00 0.00 54.79 54.37 2o3o n ASP 84 Cb 0.48 -2.66 -0.14 0.00 -0.02 0.00 0.00 41.12 38.77 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 -6.84 0.10 -0.07 -1.24 -0.21 -1.20 -2.72 119.66 107.47 2o3o s GLN 85 Ca 0.28 0.34 0.03 0.00 0.02 0.00 0.00 55.36 56.03 2o3o s GLN 85 Cb -0.16 -0.15 -0.02 0.00 1.00 0.00 0.00 33.01 33.68 2o3o s GLN 85 CO 0.93 -0.15 -0.15 0.15 -2.12 0.00 0.00 175.29 173.95 2o3o s LYS 86 N 1.03 2.77 0.31 2.91 -0.14 0.21 -4.90 119.74 121.92 2o3o s LYS 86 Ca -0.08 -0.71 -0.28 0.00 -1.36 0.00 0.00 55.97 53.53 2o3o s LYS 86 Cb -0.10 -2.43 -0.09 0.00 -1.68 0.00 0.00 37.83 33.52 2o3o s LYS 86 CO -0.05 0.48 1.12 -1.25 -0.76 0.00 0.00 175.35 174.89 2o3o s PRO 87 N -0.35 4.51 -0.57 -1.68 0.04 -1.26 -0.24 135.00 135.44 2o3o s PRO 87 Ca 0.03 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.90 2o3o s PRO 87 Cb -0.12 -3.06 0.44 0.00 0.04 0.00 0.00 34.50 31.80 2o3o s PRO 87 CO 0.02 0.08 1.76 1.28 0.04 0.00 0.00 177.00 180.19 2o3o n LEU 88 N 0.91 6.80 0.00 -3.56 4.77 0.73 -4.86 117.00 121.80 2o3o n LEU 88 Ca 0.00 -4.50 0.00 0.00 -0.03 0.00 0.00 56.01 51.48 2o3o n LEU 88 Cb 0.45 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2o3o n LEU 88 CO 0.53 1.70 0.00 0.47 -1.33 0.00 0.00 177.39 178.76 2o3o n ASP 90 N -0.81 0.00 -4.59 -1.43 8.00 -1.26 -4.99 116.55 111.47 2o3o n ASP 90 Ca 0.56 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.74 2o3o n ASP 90 Cb 0.71 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.71 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 2.90 2.48 0.17 -0.24 0.04 -1.26 -4.90 135.00 134.18 2o3o s PRO 92 Ca 0.00 -0.77 0.03 0.00 0.04 0.00 0.00 61.00 60.29 2o3o s PRO 92 Cb 0.00 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 2o3o s PRO 92 CO 0.00 0.59 0.10 -1.13 0.04 0.00 0.00 177.00 176.60 2o3o n SER 93 N 1.44 0.33 -0.05 6.66 3.41 0.64 -4.90 113.62 121.15 2o3o n SER 93 Ca -0.15 -2.01 -0.08 0.00 -0.26 0.00 0.00 58.87 56.37 2o3o n SER 93 Cb 0.52 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 65.09 2o3o n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2o3o h ASP 94 N 0.85 -0.33 0.20 4.04 5.19 -2.07 -3.02 116.42 121.28 2o3o h ASP 94 Ca -0.13 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2o3o h ASP 94 Cb 0.56 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 2o3o h ASP 94 CO 0.19 -0.13 -0.14 -0.78 -3.12 0.00 0.00 179.24 175.27 2o3o h ASP 95 N -0.06 -0.35 -3.73 6.45 1.82 -2.08 -3.45 116.42 115.01 2o3o h ASP 95 Ca 0.12 0.03 -0.68 0.00 -0.39 0.00 0.00 57.03 56.11 2o3o h ASP 95 Cb 0.25 0.11 -0.28 0.00 0.68 0.00 0.00 39.33 40.08 2o3o h ASP 95 CO -0.27 -0.22 -0.82 -2.28 -1.61 0.00 0.00 179.24 174.03 2o3o s HIS 96 N -6.13 2.62 -0.08 0.28 2.46 -1.14 -5.11 115.29 108.18 2o3o s HIS 96 Ca -0.15 -0.62 -0.12 0.00 0.47 0.00 0.00 55.06 54.65 2o3o s HIS 96 Cb 0.06 -1.69 -0.05 0.00 -0.13 0.00 0.00 32.58 30.77 2o3o s HIS 96 CO 0.65 -0.15 0.29 0.15 -2.47 0.00 0.00 174.74 173.21 2o3o s LYS 97 N -0.07 3.82 -0.50 2.88 1.02 -1.26 -0.26 119.74 125.37 2o3o s LYS 97 Ca -0.04 0.15 -0.13 0.00 0.02 0.00 0.00 55.97 55.97 2o3o s LYS 97 Cb -0.14 -3.25 0.12 0.00 -0.52 0.00 0.00 37.83 34.03 2o3o s LYS 97 CO 0.04 0.63 0.42 0.08 -0.92 0.00 0.00 175.35 175.60 2o3o s VAL 98 N -0.73 4.76 -1.07 3.17 1.01 -1.26 -4.90 120.40 121.38 2o3o s VAL 98 Ca 0.19 -1.58 0.17 0.00 0.00 0.00 0.00 61.98 60.75 2o3o s VAL 98 Cb -0.14 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 2o3o s VAL 98 CO 0.08 -0.80 0.77 0.35 0.00 0.00 0.00 175.10 175.50 2o3o n THR 99 N 5.09 0.00 -3.99 3.92 -2.24 -1.26 -1.23 114.28 114.56 2o3o n THR 99 Ca -0.11 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 2o3o n THR 99 Cb 0.41 1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.33 3.00 0.29 3.42 0.15 -1.26 -4.53 113.70 112.44 2o3o s SER 100 Ca 0.09 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 55.92 2o3o s SER 100 Cb 0.13 -1.17 -0.09 0.00 -1.71 0.00 0.00 66.02 63.18 2o3o s SER 100 CO 0.58 -0.11 0.70 -0.76 1.20 0.00 0.00 173.24 174.85 2o3o s LEU 101 N 1.47 4.12 0.02 3.45 1.43 0.10 -4.91 118.68 124.36 2o3o s LEU 101 Ca 0.02 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2o3o s LEU 101 Cb -0.15 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 2o3o s LEU 101 CO -0.09 -0.15 -0.03 -0.75 0.23 0.00 0.00 176.35 175.56 2o3o s LYS 102 N -2.81 0.29 -0.20 1.70 2.20 -1.26 -1.20 119.74 118.47 2o3o s LYS 102 Ca 0.51 -0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 55.42 2o3o s LYS 102 Cb -0.11 0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.36 2o3o s LYS 102 CO 0.18 -0.04 0.50 0.21 -0.36 0.00 0.00 175.35 175.84 2o3o s LYS 104 N -1.34 0.54 0.20 4.03 2.20 0.66 -0.19 119.74 125.84 2o3o s LYS 104 Ca -0.15 0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 55.98 2o3o s LYS 104 Cb -0.09 0.15 -0.08 0.00 -1.51 0.00 0.00 37.83 36.30 2o3o s LYS 104 CO -0.01 -0.11 1.03 -0.06 -0.36 0.00 0.00 175.35 175.84 2o3o s PHE 105 N 0.88 3.74 0.18 4.03 0.40 -0.92 -0.62 117.98 125.67 2o3o s PHE 105 Ca -0.05 1.75 -0.18 0.00 -0.60 0.00 0.00 56.93 57.84 2o3o s PHE 105 Cb -0.05 -3.15 0.13 0.00 0.51 0.00 0.00 43.02 40.45 2o3o s PHE 105 CO -0.07 -0.14 1.32 0.00 0.70 0.00 0.00 175.22 177.03 2o3o n ALA 106 N 1.98 -0.24 -2.64 5.36 0.00 -1.10 -4.31 120.51 119.56 2o3o n ALA 106 Ca 0.01 0.81 -0.20 0.00 0.00 0.00 0.00 53.44 54.06 2o3o n ALA 106 Cb 0.47 -0.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 2o3o n ALA 106 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2o3o s ASN 107 N -5.34 1.48 0.71 0.00 0.01 -1.26 -5.12 114.94 105.41 2o3o s ASN 107 Ca -0.11 -0.32 -0.16 0.00 -0.71 0.00 0.00 52.86 51.55 2o3o s ASN 107 Cb 0.15 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.70 2o3o s ASN 107 CO 0.59 0.09 1.19 -2.65 -1.51 0.00 0.00 177.10 174.80 2o3o n PRO 108 N 2.39 0.72 -3.84 -0.60 -0.02 -1.26 -4.97 135.00 127.42 2o3o n PRO 108 Ca -0.16 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 2o3o n PRO 108 Cb 0.55 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 2o3o n PRO 108 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2o3o s ILE 109 N -1.68 3.33 0.07 4.25 1.01 -0.43 -4.81 121.20 122.93 2o3o s ILE 109 Ca 0.78 -1.30 -0.31 0.00 0.00 0.00 0.00 60.65 59.82 2o3o s ILE 109 Cb -0.35 -2.91 -0.08 0.00 0.01 0.00 0.00 42.46 39.12 2o3o s ILE 109 CO 0.45 -0.16 1.67 0.00 0.00 0.00 0.00 174.94 176.91 2o3o s ALA 110 N 1.31 3.68 0.29 9.38 0.00 -1.26 -0.75 121.76 134.41 2o3o s ALA 110 Ca -0.03 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.16 2o3o s ALA 110 Cb -0.20 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2o3o s ALA 110 CO 0.00 -1.14 0.45 -0.51 0.00 0.00 0.00 175.76 174.57 2o3o s LEU 111 N 2.76 4.17 1.04 0.00 1.43 -0.89 -4.93 118.68 122.27 2o3o s LEU 111 Ca 0.75 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 2o3o s LEU 111 Cb -0.40 -3.09 0.21 0.00 0.03 0.00 0.00 46.19 42.94 2o3o s LEU 111 CO 0.33 -0.17 1.11 -0.55 0.23 0.00 0.00 176.35 177.30 2o3o s SER 112 N -3.96 2.28 0.00 2.29 0.15 -1.26 -4.82 113.70 108.38 2o3o s SER 112 Ca 0.37 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.98 2o3o s SER 112 Cb -0.09 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2o3o s SER 112 CO 0.32 -3.32 0.00 2.29 1.20 0.00 0.00 173.24 173.74 2o3o n LYS 113 N -4.27 0.00 0.20 5.44 2.85 -1.26 -4.11 118.16 117.01 2o3o n LYS 113 Ca 0.08 0.23 0.09 0.00 -1.05 0.00 0.00 58.31 57.66 2o3o n LYS 113 Cb 0.58 -0.68 0.20 0.00 -0.65 0.00 0.00 35.03 34.48 2o3o n LYS 113 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2o3o h LYS 114 N 0.00 0.00 -0.51 -1.58 1.57 -2.07 -3.09 116.57 110.89 2o3o h LYS 114 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2o3o h LYS 114 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2o3o h LYS 114 CO 0.00 0.18 0.06 -3.47 -0.57 0.00 0.00 179.45 175.65 2o3o n ASP 115 N -3.17 4.89 -0.30 0.86 -0.08 -1.26 -4.78 116.55 112.71 2o3o n ASP 115 Ca 0.03 -3.06 0.21 0.00 -1.51 0.00 0.00 54.79 50.45 2o3o n ASP 115 Cb 0.56 -0.66 0.50 0.00 2.34 0.00 0.00 41.12 43.87 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 2.95 0.59 -0.00 5.18 2.10 -1.69 -2.29 117.51 124.35 2o3o h ILE 116 Ca 0.07 -0.14 -0.00 0.00 1.08 0.00 0.00 64.86 65.87 2o3o h ILE 116 Cb 1.90 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 2o3o h ILE 116 CO 0.47 0.08 -0.01 -0.33 -1.08 0.00 0.00 178.15 177.28 2o3o h GLU 117 N 0.41 0.01 -0.93 2.19 5.08 -1.89 -1.91 114.58 117.54 2o3o h GLU 117 Ca 0.55 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 59.01 2o3o h GLU 117 Cb 1.37 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.54 2o3o h GLU 117 CO -0.25 0.71 0.57 -0.44 -1.00 0.00 0.00 179.01 178.60 2o3o h ASP 118 N -0.70 0.83 -0.32 1.42 3.32 -1.85 -2.34 116.42 116.78 2o3o h ASP 118 Ca -0.00 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2o3o h ASP 118 Cb 0.71 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2o3o h ASP 118 CO 0.00 0.46 -0.08 0.44 -1.72 0.00 0.00 179.24 178.34 2o3o h ASP 119 N 0.92 0.71 -0.16 6.45 5.19 -1.34 -1.87 116.42 126.31 2o3o h ASP 119 Ca 0.45 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.62 2o3o h ASP 119 Cb 0.42 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2o3o h ASP 119 CO -0.25 0.82 -0.10 0.00 -3.12 0.00 0.00 179.24 176.59 2o3o h ALA 120 N 1.25 0.23 -0.16 3.45 0.00 -0.83 -2.26 119.26 120.94 2o3o h ALA 120 Ca 0.12 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2o3o h ALA 120 Cb 0.53 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2o3o h ALA 120 CO 0.03 0.06 -0.32 1.96 0.00 0.00 0.00 179.25 180.99 2o3o h GLN 121 N 0.01 -0.36 -1.00 0.00 1.08 -1.30 -1.50 115.11 112.04 2o3o h GLN 121 Ca 0.03 0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.46 2o3o h GLN 121 Cb 0.60 0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 28.00 2o3o h GLN 121 CO 0.03 -0.24 0.61 0.00 -0.95 0.00 0.00 178.83 178.28 2o3o h ALA 122 N 0.47 1.73 0.23 3.87 0.00 -1.28 0.40 119.26 124.68 2o3o h ALA 122 Ca 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2o3o h ALA 122 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2o3o h ALA 122 CO -0.37 -0.11 -0.11 1.25 0.00 0.00 0.00 179.25 179.91 2o3o h LEU 123 N 0.72 -0.26 -0.26 0.00 5.85 -0.69 -2.41 115.31 118.26 2o3o h LEU 123 Ca 0.58 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.23 2o3o h LEU 123 Cb 0.97 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2o3o h LEU 123 CO -0.38 -0.15 -0.02 0.58 -0.34 0.00 0.00 178.44 178.14 2o3o h VAL 124 N -0.35 1.26 -0.68 1.05 2.07 0.21 -2.02 116.25 117.79 2o3o h VAL 124 Ca -0.03 -0.96 0.11 0.00 0.82 0.00 0.00 66.70 66.64 2o3o h VAL 124 Cb 0.27 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 2o3o h VAL 124 CO 0.05 0.30 0.28 0.28 0.02 0.00 0.00 177.57 178.51 2o3o h SER 125 N 0.24 0.31 0.62 0.57 0.02 -0.36 -2.29 113.55 112.67 2o3o h SER 125 Ca 0.07 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2o3o h SER 125 Cb 0.45 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2o3o h SER 125 CO 0.02 0.16 -0.99 -1.54 -1.14 0.00 0.00 176.83 173.34 2o3o n SER 126 N -4.96 0.64 0.00 3.07 3.41 -0.91 -4.38 113.62 110.49 2o3o n SER 126 Ca 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2o3o n SER 126 Cb 0.32 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 2o3o n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2o3o n LYS 127 N -2.16 2.36 -3.34 4.33 5.02 -0.77 -5.04 118.16 118.55 2o3o n LYS 127 Ca 0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 2o3o n LYS 127 Cb 0.47 -0.80 -0.06 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.59 4.84 0.38 -0.18 1.01 -0.87 -4.97 121.20 119.83 2o3o s ILE 128 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.48 2o3o s ILE 128 Cb 0.00 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 2o3o s ILE 128 CO 0.00 0.55 1.35 1.67 0.00 0.00 0.00 174.94 178.52 2o3o n GLN 129 N 1.82 2.25 -2.31 2.79 7.27 -1.26 -1.55 117.38 126.39 2o3o n GLN 129 Ca -0.11 0.79 -0.10 0.00 0.07 0.00 0.00 57.00 57.65 2o3o n GLN 129 Cb 0.51 -2.46 -0.01 0.00 2.41 0.00 0.00 30.24 30.69 2o3o n GLN 129 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2o3o n ASP 130 N 0.47 -3.16 -0.20 1.69 10.43 -1.26 -4.83 116.55 119.69 2o3o n ASP 130 Ca 0.04 0.26 0.01 0.00 2.57 0.00 0.00 54.79 57.67 2o3o n ASP 130 Cb 0.38 -2.76 0.26 0.00 1.84 0.00 0.00 41.12 40.84 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 0.00 1.01 -0.69 0.44 0.00 -1.45 -1.30 103.07 101.09 2o3o h GLY 131 Ca -0.22 -0.38 0.36 0.00 0.00 0.00 0.00 47.33 47.08 2o3o h GLY 131 CO 0.27 0.38 0.71 1.05 0.00 0.00 0.00 176.54 178.95 2o3o h GLU 132 N 0.98 0.22 0.00 4.80 9.09 -1.81 -0.13 114.58 127.73 2o3o h GLU 132 Ca 0.26 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.66 2o3o h GLU 132 Cb -0.10 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 26.95 2o3o h GLU 132 CO -0.06 0.15 0.00 1.63 0.05 0.00 0.00 179.01 180.78 2o3o n LYS 133 N -4.80 0.88 -5.12 1.06 5.02 -0.49 -4.81 118.16 109.91 2o3o n LYS 133 Ca 0.33 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.30 2o3o n LYS 133 Cb 1.16 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 34.67 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 2.50 -0.04 2.13 1.51 -0.06 -1.44 117.35 119.95 2o3o s TYR 134 Ca 0.30 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 2o3o s TYR 134 Cb 0.14 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 2o3o s TYR 134 CO 0.23 0.07 -0.25 0.21 -1.11 0.00 0.00 175.55 174.69 2o3o s LYS 135 N -0.67 2.32 0.16 -0.62 2.20 -0.60 -4.94 119.74 117.59 2o3o s LYS 135 Ca 0.11 -0.91 -0.31 0.00 -0.36 0.00 0.00 55.97 54.49 2o3o s LYS 135 Cb -0.10 -2.09 -0.10 0.00 -1.51 0.00 0.00 37.83 34.03 2o3o s LYS 135 CO -0.00 0.46 1.54 -1.17 -0.36 0.00 0.00 175.35 175.82 2o3o s LEU 136 N -0.38 4.37 -0.25 5.43 2.96 -1.26 -0.29 118.68 129.27 2o3o s LEU 136 Ca 0.03 2.58 -0.14 0.00 -0.22 0.00 0.00 54.13 56.38 2o3o s LEU 136 Cb -0.12 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2o3o s LEU 136 CO 0.01 -0.80 -0.35 1.87 -1.32 0.00 0.00 176.35 175.77 2o3o n TRP 137 N 3.89 0.00 -3.66 5.38 -0.00 -0.03 -4.83 117.44 118.20 2o3o n TRP 137 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.50 2o3o n TRP 137 Cb 0.39 -0.86 -0.08 0.00 -0.00 0.00 0.00 31.31 30.76 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 -2.58 0.71 -0.28 5.87 2.20 -0.94 -5.03 119.74 119.71 2o3o s LYS 138 Ca -0.35 0.90 -0.10 0.00 -0.36 0.00 0.00 55.97 56.06 2o3o s LYS 138 Cb 0.12 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 2o3o s LYS 138 CO 0.46 -0.10 0.16 0.08 -0.36 0.00 0.00 175.35 175.60 2o3o s VAL 139 N 0.51 5.02 -0.34 4.02 1.01 -1.26 -1.21 120.40 128.15 2o3o s VAL 139 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 2o3o s VAL 139 Cb -0.05 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.98 2o3o s VAL 139 CO -0.02 0.24 0.10 -0.62 0.00 0.00 0.00 175.10 174.80 2o3o s ASP 140 N 1.71 5.21 0.03 3.32 -1.08 -0.48 -4.98 116.67 120.40 2o3o s ASP 140 Ca 0.07 -1.32 -0.21 0.00 -0.52 0.00 0.00 52.55 50.57 2o3o s ASP 140 Cb -0.16 -1.83 -0.16 0.00 -1.46 0.00 0.00 42.92 39.32 2o3o s ASP 140 CO 0.09 -0.35 1.32 0.11 0.52 0.00 0.00 175.17 176.86 2o3o h LYS 141 N 8.15 0.31 -0.60 4.34 1.57 -1.97 -2.14 116.57 126.22 2o3o h LYS 141 Ca -0.21 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 2o3o h LYS 141 Cb 1.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2o3o h LYS 141 CO 0.61 0.72 0.28 0.66 -0.57 0.00 0.00 179.45 181.15 2o3o h SER 142 N -0.09 0.76 -0.10 0.86 4.64 -1.95 -1.69 113.55 115.97 2o3o h SER 142 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2o3o h SER 142 Cb 0.68 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2o3o h SER 142 CO 0.03 0.65 0.00 0.29 -0.87 0.00 0.00 176.83 176.94 2o3o n LYS 143 N -4.35 1.81 -4.03 4.77 5.02 -1.24 -4.97 118.16 115.17 2o3o n LYS 143 Ca 0.05 -1.19 -0.44 0.00 -2.02 0.00 0.00 58.31 54.71 2o3o n LYS 143 Cb 0.13 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.43 -0.43 -3.60 1.97 5.02 -0.64 -4.93 118.16 115.98 2o3o n LYS 144 Ca 0.18 0.17 -0.16 0.00 -2.02 0.00 0.00 58.31 56.48 2o3o n LYS 144 Cb 0.39 -2.56 -0.07 0.00 -0.02 0.00 0.00 35.03 32.77 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 -7.07 0.92 -0.16 1.97 -1.05 -0.84 -2.52 118.70 109.95 2o3o s GLU 145 Ca 0.44 0.16 -0.01 0.00 -0.15 0.00 0.00 54.97 55.40 2o3o s GLU 145 Cb -0.24 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 2o3o s GLU 145 CO 0.96 -0.27 -0.11 0.42 0.95 0.00 0.00 175.26 177.21 2o3o s ILE 146 N -1.14 3.14 -0.19 1.83 1.01 -0.70 -1.38 121.20 123.77 2o3o s ILE 146 Ca -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 2o3o s ILE 146 Cb -0.02 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2o3o s ILE 146 CO 0.08 0.50 -0.02 -0.63 0.00 0.00 0.00 174.94 174.87 2o3o s ILE 147 N 0.69 3.87 0.05 2.92 1.01 -0.35 0.40 121.20 129.78 2o3o s ILE 147 Ca -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2o3o s ILE 147 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2o3o s ILE 147 CO 0.02 0.44 0.02 -0.36 0.00 0.00 0.00 174.94 175.07 2o3o s PHE 148 N 0.88 3.08 -0.13 3.97 0.40 0.31 -0.85 117.98 125.65 2o3o s PHE 148 Ca 0.00 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2o3o s PHE 148 Cb -0.14 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 2o3o s PHE 148 CO 0.02 0.49 -0.09 -0.06 0.70 0.00 0.00 175.22 176.27 2o3o s PHE 149 N -1.24 2.90 0.34 0.36 0.08 0.61 -1.23 117.98 119.80 2o3o s PHE 149 Ca 0.24 -0.42 -0.28 0.00 0.12 0.00 0.00 56.93 56.59 2o3o s PHE 149 Cb -0.12 -1.86 -0.12 0.00 -0.57 0.00 0.00 43.02 40.35 2o3o s PHE 149 CO 0.16 -0.07 1.34 0.94 -0.10 0.00 0.00 175.22 177.49 2o3o n GLN 150 N 3.32 2.25 -3.16 0.44 7.27 0.13 -1.56 117.38 126.06 2o3o n GLN 150 Ca -0.18 0.79 -0.20 0.00 0.07 0.00 0.00 57.00 57.48 2o3o n GLN 150 Cb 0.53 -2.41 0.03 0.00 2.41 0.00 0.00 30.24 30.80 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 -1.01 2.36 -0.08 1.69 -4.23 -0.52 -1.77 115.64 112.08 2o3o s THR 151 Ca 0.56 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.96 2o3o s THR 151 Cb -0.55 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 70.89 2o3o s THR 151 CO 0.62 0.00 0.09 -0.47 -0.54 0.00 0.00 174.62 174.31 2o3o s TYR 152 N -2.58 0.04 -1.61 3.99 5.04 0.11 -4.80 117.35 117.53 2o3o s TYR 152 Ca 0.56 0.19 -0.14 0.00 -2.44 0.00 0.00 57.07 55.24 2o3o s TYR 152 Cb -0.06 -0.49 0.11 0.00 0.35 0.00 0.00 41.96 41.87 2o3o s TYR 152 CO 0.35 -0.28 0.73 0.39 -1.34 0.00 0.00 175.55 175.39 2o3o n GLU 153 N 5.30 -3.50 0.00 4.97 1.02 -1.26 -1.46 120.64 125.70 2o3o n GLU 153 Ca -0.04 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2o3o n GLU 153 Cb 0.50 -5.02 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 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 -1.58 2.79 3.85 0.62 0.00 -1.26 -5.01 105.19 104.60 2o3o n GLY 154 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.01 3.60 0.36 1.61 3.76 -0.54 -4.96 115.29 117.11 2o3o s HIS 155 Ca 0.00 1.03 -0.28 0.00 -0.15 0.00 0.00 55.06 55.66 2o3o s HIS 155 Cb 0.00 -2.35 -0.10 0.00 1.11 0.00 0.00 32.58 31.24 2o3o s HIS 155 CO 0.00 0.43 1.36 0.71 -0.85 0.00 0.00 174.74 176.39 2o3o s TYR 156 N -1.47 2.87 -0.99 1.40 4.12 -1.26 0.06 117.35 122.08 2o3o s TYR 156 Ca 0.38 1.34 -0.15 0.00 0.02 0.00 0.00 57.07 58.66 2o3o s TYR 156 Cb -0.15 -3.78 0.18 0.00 -1.52 0.00 0.00 41.96 36.69 2o3o s TYR 156 CO 0.19 -2.24 1.09 0.42 0.02 0.00 0.00 175.55 175.03 2o3o s ILE 157 N -1.15 5.21 0.26 2.71 1.01 -0.73 -1.07 121.20 127.44 2o3o s ILE 157 Ca 0.51 -2.30 -0.31 0.00 0.00 0.00 0.00 60.65 58.55 2o3o s ILE 157 Cb -0.42 -4.70 -0.12 0.00 0.01 0.00 0.00 42.46 37.24 2o3o s ILE 157 CO 0.55 -1.36 1.63 -1.22 0.00 0.00 0.00 174.94 174.55 2o3o n TYR 158 N 5.12 2.79 -4.21 3.97 4.02 0.61 -4.73 117.16 124.73 2o3o n TYR 158 Ca 0.24 0.19 -0.14 0.00 -0.01 0.00 0.00 57.90 58.18 2o3o n TYR 158 Cb 0.46 -2.62 -0.09 0.00 -0.02 0.00 0.00 39.34 37.07 2o3o n TYR 158 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2o3o s GLN 159 N 0.07 1.42 -0.11 -0.72 -0.21 -1.26 -4.46 119.66 114.39 2o3o s GLN 159 Ca 0.68 -1.73 -0.19 0.00 0.02 0.00 0.00 55.36 54.15 2o3o s GLN 159 Cb -0.51 0.31 -0.04 0.00 1.00 0.00 0.00 33.01 33.77 2o3o s GLN 159 CO 0.43 -0.50 0.49 0.15 -2.12 0.00 0.00 175.29 173.74 2o3o s LYS 160 N -3.88 4.34 -0.03 2.91 1.02 -1.26 -4.95 119.74 117.89 2o3o s LYS 160 Ca 0.38 0.49 0.10 0.00 0.02 0.00 0.00 55.97 56.96 2o3o s LYS 160 Cb 0.05 -3.43 0.34 0.00 -0.52 0.00 0.00 37.83 34.26 2o3o s LYS 160 CO 0.17 0.17 1.23 0.25 -0.92 0.00 0.00 175.35 176.24 2o3o n THR 161 N 3.62 0.68 0.02 2.17 -2.24 -1.26 -4.53 114.28 112.74 2o3o n THR 161 Ca -0.07 -0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 2o3o n THR 161 Cb 0.52 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 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 2.06 -0.14 -5.32 3.42 3.32 -1.95 -3.48 116.42 114.33 2o3o h ASP 162 Ca 0.00 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 2o3o h ASP 162 Cb 0.65 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.15 2o3o h ASP 162 CO 0.05 -0.06 -0.20 0.54 -1.72 0.00 0.00 179.24 177.85 2o3o s ASN 163 N -2.51 0.06 0.25 6.45 6.03 -1.26 -5.08 114.94 118.88 2o3o s ASN 163 Ca -0.02 -1.07 -0.04 0.00 -1.03 0.00 0.00 52.86 50.70 2o3o s ASN 163 Cb 0.00 0.57 0.49 0.00 -3.03 0.00 0.00 41.25 39.28 2o3o s ASN 163 CO 0.06 -1.12 1.67 -0.65 -2.03 0.00 0.00 177.10 175.03 2o3o h PRO 164 N 2.29 0.22 -0.84 3.55 0.11 -1.94 -1.10 132.00 134.29 2o3o h PRO 164 Ca -0.28 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.97 2o3o h PRO 164 Cb 1.25 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 2o3o h PRO 164 CO 0.39 0.15 -0.25 0.43 -0.21 0.00 0.00 178.00 178.50 2o3o n SER 165 N -5.20 -0.38 -4.53 -2.05 7.64 -1.26 -4.59 113.62 103.25 2o3o n SER 165 Ca 0.15 1.46 -0.41 0.00 1.01 0.00 0.00 58.87 61.08 2o3o n SER 165 Cb 0.49 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 2o3o n SER 165 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2o3o n ASN 166 N -5.34 4.61 0.00 6.43 3.02 -0.42 -5.07 115.26 118.50 2o3o n ASN 166 Ca 0.12 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 2o3o n ASN 166 Cb 0.40 -1.74 0.00 0.00 -0.61 0.00 0.00 39.78 37.83 2o3o n ASN 166 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2o3o n ILE 168 N 6.51 0.00 -2.73 2.41 -5.35 -1.26 -4.39 119.36 114.55 2o3o n ILE 168 Ca 0.49 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.88 2o3o n ILE 168 Cb 0.46 0.00 0.08 0.00 -1.74 0.00 0.00 39.64 38.44 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 0.38 3.48 3.28 0.00 -1.26 -4.03 105.19 107.04 2o3o n GLY 169 Ca 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 0.33 1.69 -0.05 1.61 -0.21 -1.05 0.18 119.66 122.16 2o3o s GLN 170 Ca 0.24 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.70 2o3o s GLN 170 Cb 0.28 -1.09 0.02 0.00 1.00 0.00 0.00 33.01 33.22 2o3o s GLN 170 CO -0.09 -0.10 -0.03 0.08 -2.12 0.00 0.00 175.29 173.02 2o3o s VAL 171 N -3.11 0.50 -0.27 1.09 1.01 -0.36 -2.00 120.40 117.26 2o3o s VAL 171 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2o3o s VAL 171 Cb 0.08 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.94 2o3o s VAL 171 CO 0.15 0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 2o3o s VAL 172 N 1.26 2.59 0.22 2.92 1.01 -0.51 0.11 120.40 128.00 2o3o s VAL 172 Ca -0.06 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 60.19 2o3o s VAL 172 Cb -0.14 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 2o3o s VAL 172 CO -0.02 -0.02 0.92 -0.76 0.00 0.00 0.00 175.10 175.22 2o3o s LEU 173 N 1.20 4.63 -0.20 3.92 1.43 0.16 -1.37 118.68 128.45 2o3o s LEU 173 Ca -0.06 1.89 -0.04 0.00 -1.03 0.00 0.00 54.13 54.89 2o3o s LEU 173 Cb -0.19 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 2o3o s LEU 173 CO -0.04 0.14 -0.04 -1.00 0.23 0.00 0.00 176.35 175.65 2o3o s HIS 174 N -1.05 2.97 0.17 0.29 3.76 0.19 -1.72 115.29 119.90 2o3o s HIS 174 Ca 0.41 -0.72 0.07 0.00 -0.15 0.00 0.00 55.06 54.67 2o3o s HIS 174 Cb -0.25 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2o3o s HIS 174 CO 0.31 -0.39 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.29 2o3o s LEU 175 N 1.15 3.28 -0.08 0.89 1.43 -1.05 -0.04 118.68 124.25 2o3o s LEU 175 Ca 0.02 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 2o3o s LEU 175 Cb -0.15 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2o3o s LEU 175 CO -0.00 0.09 0.28 0.21 0.23 0.00 0.00 176.35 177.16 2o3o s ASN 176 N -2.90 -0.25 0.00 2.29 2.47 -0.51 -4.84 114.94 111.21 2o3o s ASN 176 Ca 0.27 0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.96 2o3o s ASN 176 Cb -0.09 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.21 2o3o s ASN 176 CO 0.18 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 173.98 2o3o n GLY 177 N 2.47 0.78 3.21 1.21 0.00 -1.26 -2.99 105.19 108.61 2o3o n GLY 177 Ca -0.15 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 3.46 -1.93 1.61 5.02 -1.26 -4.82 118.16 120.24 2o3o n LYS 178 Ca 0.00 -4.49 -0.17 0.00 -2.02 0.00 0.00 58.31 51.63 2o3o n LYS 178 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 35.03 32.46 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 2.33 -4.81 -4.76 4.39 3.02 -1.26 -4.66 115.26 109.50 2o3o n ASN 179 Ca 0.24 0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 54.66 2o3o n ASN 179 Cb 0.38 -4.19 -0.05 0.00 -0.61 0.00 0.00 39.78 35.31 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 -4.21 4.42 -0.23 3.52 2.02 -1.16 -2.08 118.70 120.98 2o3o s GLU 180 Ca 0.00 0.95 -0.23 0.00 0.02 0.00 0.00 54.97 55.70 2o3o s GLU 180 Cb 0.00 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2o3o s GLU 180 CO 0.00 0.40 0.77 0.08 0.02 0.00 0.00 175.26 176.53 2o3o s VAL 181 N -0.42 4.89 -0.21 2.63 1.01 0.07 -1.42 120.40 126.94 2o3o s VAL 181 Ca 0.35 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.81 2o3o s VAL 181 Cb -0.20 -4.06 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 2o3o s VAL 181 CO 0.21 -0.03 -0.02 0.52 0.00 0.00 0.00 175.10 175.78 2o3o n VAL 182 N 5.14 1.53 -3.85 2.92 0.31 0.94 -1.32 118.33 124.01 2o3o n VAL 182 Ca 0.04 -0.65 -0.05 0.00 -0.01 0.00 0.00 64.34 63.67 2o3o n VAL 182 Cb 0.48 -1.30 0.02 0.00 -0.91 0.00 0.00 33.84 32.13 2o3o n VAL 182 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2o3o s SER 183 N -6.42 -0.01 0.15 4.52 1.04 -1.16 -2.16 113.70 109.66 2o3o s SER 183 Ca -0.27 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.20 2o3o s SER 183 Cb 0.08 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.84 2o3o s SER 183 CO 0.68 -1.21 0.44 -0.72 0.98 0.00 0.00 173.24 173.41 2o3o s TYR 184 N -2.33 -0.15 -0.08 5.02 -0.85 -1.26 0.53 117.35 118.24 2o3o s TYR 184 Ca 0.19 -0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.58 2o3o s TYR 184 Cb -0.03 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.57 2o3o s TYR 184 CO 0.07 -0.78 -0.11 -0.51 -1.52 0.00 0.00 175.55 172.71 2o3o s ASP 185 N -2.84 4.31 -0.03 -0.18 1.01 -0.47 -4.17 116.67 114.31 2o3o s ASP 185 Ca 0.06 -0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.19 2o3o s ASP 185 Cb 0.01 -1.15 0.01 0.00 1.01 0.00 0.00 42.92 42.81 2o3o s ASP 185 CO -0.08 0.31 -0.04 -1.58 0.21 0.00 0.00 175.17 173.99 2o3o s GLN 186 N -0.52 0.64 0.06 8.23 0.74 -0.34 -1.43 119.66 127.05 2o3o s GLN 186 Ca 0.07 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.40 2o3o s GLN 186 Cb -0.12 -0.66 -0.03 0.00 1.10 0.00 0.00 33.01 33.30 2o3o s GLN 186 CO 0.02 -0.01 -0.11 0.95 -0.55 0.00 0.00 175.29 175.58 2o3o s THR 187 N 0.56 0.85 -0.03 -0.34 -4.23 -0.85 0.03 115.64 111.64 2o3o s THR 187 Ca -0.07 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.15 2o3o s THR 187 Cb -0.10 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.81 2o3o s THR 187 CO -0.00 -0.34 0.08 -0.89 -0.54 0.00 0.00 174.62 172.93 2o3o s THR 188 N -1.50 -0.00 -0.05 3.99 2.01 -1.26 -2.52 115.64 116.31 2o3o s THR 188 Ca -0.04 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2o3o s THR 188 Cb -0.09 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 2o3o s THR 188 CO 0.01 0.00 0.15 -0.76 -0.69 0.00 0.00 174.62 173.34 2o3o s LEU 189 N 0.05 4.32 0.21 4.42 1.43 -1.26 -0.52 118.68 127.34 2o3o s LEU 189 Ca -0.00 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2o3o s LEU 189 Cb -0.01 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 2o3o s LEU 189 CO 0.00 0.32 0.29 -1.83 0.23 0.00 0.00 176.35 175.36 2o3o s GLU 190 N -1.55 1.32 -1.03 1.70 -1.05 -0.12 -4.89 118.70 113.07 2o3o s GLU 190 Ca 0.22 -1.40 -0.09 0.00 -0.15 0.00 0.00 54.97 53.54 2o3o s GLU 190 Cb -0.12 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 2o3o s GLU 190 CO 0.12 -0.49 0.86 2.41 0.95 0.00 0.00 175.26 179.11 2o3o n THR 191 N -0.30 -8.32 -2.61 1.83 -1.04 -1.26 0.07 114.28 102.66 2o3o n THR 191 Ca -0.01 -1.10 -0.41 0.00 -2.04 0.00 0.00 64.05 60.49 2o3o n THR 191 Cb 0.64 -5.93 -0.04 0.00 -1.82 0.00 0.00 70.33 63.18 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 -3.36 3.67 -0.11 -1.42 0.40 -1.26 -4.04 117.98 111.86 2o3o s PHE 192 Ca 0.40 1.66 -0.00 0.00 -0.60 0.00 0.00 56.93 58.39 2o3o s PHE 192 Cb -0.08 -3.19 0.02 0.00 0.51 0.00 0.00 43.02 40.29 2o3o s PHE 192 CO 0.78 -0.29 -0.08 0.15 0.70 0.00 0.00 175.22 176.48 2o3o s LYS 193 N 0.06 1.57 -0.80 0.44 1.02 0.08 -4.97 119.74 117.12 2o3o s LYS 193 Ca 0.50 -0.27 -0.24 0.00 0.02 0.00 0.00 55.97 55.97 2o3o s LYS 193 Cb -0.26 -1.60 0.06 0.00 -0.52 0.00 0.00 37.83 35.51 2o3o s LYS 193 CO 0.32 -0.25 1.21 -0.65 -0.92 0.00 0.00 175.35 175.06 2o3o s GLN 194 N 1.63 3.31 -0.01 1.68 -0.21 -1.26 -1.39 119.66 123.41 2o3o s GLN 194 Ca 0.04 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 2o3o s GLN 194 Cb -0.13 -4.55 -0.27 0.00 1.00 0.00 0.00 33.01 29.06 2o3o s GLN 194 CO -0.08 -2.02 0.80 -0.84 -2.12 0.00 0.00 175.29 171.04 2o3o h ILE 195 N 6.16 1.09 -3.05 1.08 3.07 -1.66 -3.46 117.51 120.74 2o3o h ILE 195 Ca -0.12 -2.76 -0.31 0.00 1.55 0.00 0.00 64.86 63.22 2o3o h ILE 195 Cb 1.04 2.70 -0.36 0.00 -0.27 0.00 0.00 36.82 39.93 2o3o h ILE 195 CO 1.26 0.79 -0.65 -1.58 -1.05 0.00 0.00 178.15 176.93 2o3o s GLN 196 N -2.61 0.04 0.24 0.16 0.74 -1.22 -5.01 119.66 111.99 2o3o s GLN 196 Ca -0.09 0.48 -0.26 0.00 0.05 0.00 0.00 55.36 55.54 2o3o s GLN 196 Cb 0.07 -0.46 -0.09 0.00 1.10 0.00 0.00 33.01 33.63 2o3o s GLN 196 CO 0.84 -0.36 0.87 0.21 -0.55 0.00 0.00 175.29 176.30 2o3o s LYS 197 N 2.28 4.62 0.06 1.67 2.20 -1.26 -1.16 119.74 128.15 2o3o s LYS 197 Ca 0.04 1.27 -0.10 0.00 -0.36 0.00 0.00 55.97 56.82 2o3o s LYS 197 Cb -0.13 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 2o3o s LYS 197 CO -0.06 0.46 0.21 -1.21 -0.36 0.00 0.00 175.35 174.38 2o3o s GLU 198 N -1.51 0.78 0.06 4.03 2.02 0.58 -4.96 118.70 119.71 2o3o s GLU 198 Ca 0.42 -0.77 -0.19 0.00 0.02 0.00 0.00 54.97 54.45 2o3o s GLU 198 Cb -0.22 0.32 -0.07 0.00 0.10 0.00 0.00 34.13 34.27 2o3o s GLU 198 CO 0.27 -0.24 0.56 0.45 0.02 0.00 0.00 175.26 176.32 2o3o s SER 199 N -2.44 7.05 0.05 -0.19 0.15 -1.26 -1.55 113.70 115.50 2o3o s SER 199 Ca -0.00 1.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.87 2o3o s SER 199 Cb 0.02 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2o3o s SER 199 CO -0.07 0.26 0.23 -0.76 1.20 0.00 0.00 173.24 174.10 2o3o s LEU 200 N -1.04 4.35 0.62 3.45 1.43 -0.45 -3.08 118.68 123.96 2o3o s LEU 200 Ca 0.29 0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 2o3o s LEU 200 Cb -0.19 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 2o3o s LEU 200 CO 0.19 0.19 1.09 0.27 0.23 0.00 0.00 176.35 178.31 2o3o s ILE 201 N -1.46 3.49 0.66 -0.59 -4.36 -0.15 -4.20 121.20 114.59 2o3o s ILE 201 Ca 0.33 0.72 -0.10 0.00 -0.26 0.00 0.00 60.65 61.34 2o3o s ILE 201 Cb -0.13 -3.25 -0.00 0.00 1.25 0.00 0.00 42.46 40.34 2o3o s ILE 201 CO 0.24 -0.40 1.04 0.42 0.24 0.00 0.00 174.94 176.48 2o3o s THR 202 N -2.33 3.83 -0.16 8.37 -4.23 -1.26 -4.80 115.64 115.06 2o3o s THR 202 Ca 0.66 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2o3o s THR 202 Cb -0.19 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2o3o s THR 202 CO 0.38 -0.72 0.00 -0.62 -0.54 0.00 0.00 174.62 173.12 2o3o n GLU 203 N -2.85 0.00 0.00 3.99 1.02 -1.19 -1.93 120.64 119.68 2o3o n GLU 203 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2o3o n GLU 203 Cb 0.56 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.74 0.00 -0.25 1.62 8.00 -1.26 -2.26 116.55 123.14 2o3o n ASP 205 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2o3o n ASP 205 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 2o3o n ASP 205 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o3o h ALA 206 N 0.00 0.95 -0.37 2.24 0.00 -1.74 0.15 119.26 120.49 2o3o h ALA 206 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2o3o h ALA 206 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2o3o h ALA 206 CO 0.00 0.10 0.13 0.28 0.00 0.00 0.00 179.25 179.76 2o3o h VAL 207 N 0.75 1.21 -0.18 0.00 2.07 -1.73 -2.00 116.25 116.37 2o3o h VAL 207 Ca 0.31 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2o3o h VAL 207 Cb 0.17 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2o3o h VAL 207 CO -0.18 0.23 -0.05 -0.33 0.02 0.00 0.00 177.57 177.26 2o3o h GLU 208 N 0.46 0.26 -0.37 1.57 5.08 -1.66 -1.85 114.58 118.07 2o3o h GLU 208 Ca 0.12 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2o3o h GLU 208 Cb 0.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2o3o h GLU 208 CO -0.01 0.34 -0.27 1.25 -1.00 0.00 0.00 179.01 179.33 2o3o h LEU 209 N 0.26 0.79 -0.10 1.33 5.85 -0.29 -0.22 115.31 122.93 2o3o h LEU 209 Ca 0.06 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2o3o h LEU 209 Cb 0.27 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2o3o h LEU 209 CO 0.01 1.02 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.04 2o3o h LEU 210 N 0.66 0.20 -0.34 2.25 3.38 -0.93 -1.44 115.31 119.09 2o3o h LEU 210 Ca 0.08 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.75 2o3o h LEU 210 Cb 0.79 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2o3o h LEU 210 CO 0.06 0.51 0.06 0.22 0.09 0.00 0.00 178.44 179.38 2o3o h TYR 211 N -0.11 0.09 -0.20 1.13 3.20 -1.23 -1.85 116.97 118.00 2o3o h TYR 211 Ca 0.03 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.97 2o3o h TYR 211 Cb 0.42 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 2o3o h TYR 211 CO 0.05 0.00 -0.25 -0.92 -1.64 0.00 0.00 178.16 175.40 2o3o h TYR 212 N 0.17 -0.68 0.00 -3.82 3.20 -0.97 -0.49 116.97 114.39 2o3o h TYR 212 Ca 0.16 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2o3o h TYR 212 Cb 0.19 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2o3o h TYR 212 CO -0.19 -0.33 0.00 1.04 -1.64 0.00 0.00 178.16 177.04 2o3o n GLN 213 N -5.38 0.92 -1.64 1.82 6.02 -0.55 -4.81 117.38 113.76 2o3o n GLN 213 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.82 2o3o n GLN 213 Cb 0.29 -1.22 -0.05 0.00 1.02 0.00 0.00 30.24 30.28 2o3o n GLN 213 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2o3o n ASN 214 N 0.32 -4.79 0.05 1.08 4.13 -0.19 -4.88 115.26 110.99 2o3o n ASN 214 Ca 0.00 0.29 -0.15 0.00 1.68 0.00 0.00 54.58 56.40 2o3o n ASN 214 Cb 0.36 -3.71 -0.14 0.00 -1.54 0.00 0.00 39.78 34.75 2o3o n ASN 214 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2o3o h GLN 215 N 0.00 0.21 -6.46 3.52 1.08 -1.54 -3.46 115.11 108.45 2o3o h GLN 215 Ca -0.33 -0.36 -0.53 0.00 -1.45 0.00 0.00 58.65 55.98 2o3o h GLN 215 Cb 1.06 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.59 2o3o h GLN 215 CO 0.45 1.06 0.17 -0.51 -0.95 0.00 0.00 178.83 179.05 2o3o s LEU 216 N -6.89 4.56 0.16 1.46 1.43 -1.26 -5.01 118.68 113.13 2o3o s LEU 216 Ca -0.08 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 2o3o s LEU 216 Cb 0.07 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2o3o s LEU 216 CO 0.85 0.16 0.30 -0.54 0.23 0.00 0.00 176.35 177.35 2o3o s LYS 217 N -0.88 3.45 0.50 1.70 1.02 -1.26 -4.98 119.74 119.29 2o3o s LYS 217 Ca 0.36 -0.58 -0.22 0.00 0.02 0.00 0.00 55.97 55.55 2o3o s LYS 217 Cb -0.22 -2.95 -0.08 0.00 -0.52 0.00 0.00 37.83 34.06 2o3o s LYS 217 CO 0.25 0.50 1.04 0.39 -0.92 0.00 0.00 175.35 176.61 2o3o n GLU 218 N -0.61 1.28 -2.04 1.68 1.02 -1.26 -2.23 120.64 118.47 2o3o n GLU 218 Ca -0.07 0.47 -0.20 0.00 -0.02 0.00 0.00 57.16 57.33 2o3o n GLU 218 Cb 0.54 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 29.76 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 -0.95 -0.58 -2.63 -0.32 4.02 -0.45 -4.92 117.16 111.32 2o3o n TYR 219 Ca 0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.77 2o3o n TYR 219 Cb 0.43 -3.71 0.04 0.00 -0.02 0.00 0.00 39.34 36.07 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 -2.35 5.32 -0.04 7.72 1.04 -0.95 -4.69 113.70 119.75 2o3o s SER 220 Ca 0.00 0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.51 2o3o s SER 220 Cb 0.00 -1.03 0.02 0.00 0.10 0.00 0.00 66.02 65.10 2o3o s SER 220 CO 0.00 -1.12 0.11 -0.89 0.98 0.00 0.00 173.24 172.31 2o3o s THR 221 N -2.79 -0.01 -0.49 2.02 2.01 -0.53 -2.68 115.64 113.16 2o3o s THR 221 Ca 0.56 0.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.39 2o3o s THR 221 Cb -0.10 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.28 2o3o s THR 221 CO 0.39 0.02 0.79 -0.69 -0.69 0.00 0.00 174.62 174.44 2o3o s VAL 222 N 0.34 4.63 -0.00 3.82 1.01 -1.09 -1.10 120.40 127.99 2o3o s VAL 222 Ca -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2o3o s VAL 222 Cb -0.04 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2o3o s VAL 222 CO -0.01 -0.86 0.54 0.11 0.00 0.00 0.00 175.10 174.88 2o3o h LYS 223 N 9.08 -0.11 -5.35 2.72 1.79 -0.66 -3.42 116.57 120.61 2o3o h LYS 223 Ca -0.26 0.01 -0.41 0.00 -2.18 0.00 0.00 60.65 57.81 2o3o h LYS 223 Cb 1.08 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.62 2o3o h LYS 223 CO 1.00 -0.08 -0.71 -1.54 -1.08 0.00 0.00 179.45 177.04 2o3o s SER 224 N -2.91 2.27 -0.33 0.86 1.04 -1.20 -4.99 113.70 108.44 2o3o s SER 224 Ca -0.02 -1.06 -0.00 0.00 0.48 0.00 0.00 55.95 55.35 2o3o s SER 224 Cb 0.00 -0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.17 2o3o s SER 224 CO 0.05 -0.27 0.24 0.00 0.98 0.00 0.00 173.24 174.23 2o3o s LYS 226 N 1.54 3.53 0.30 0.00 -0.14 -0.48 -4.87 119.74 119.61 2o3o s LYS 226 Ca 0.15 -0.18 -0.09 0.00 -1.36 0.00 0.00 55.97 54.48 2o3o s LYS 226 Cb -0.19 -3.06 -0.07 0.00 -1.68 0.00 0.00 37.83 32.83 2o3o s LYS 226 CO -0.13 0.64 0.62 0.12 -0.76 0.00 0.00 175.35 175.85 2o3o s PHE 227 N -1.35 3.44 0.00 3.18 2.19 -1.26 0.41 117.98 124.58 2o3o s PHE 227 Ca 0.29 0.90 0.00 0.00 0.33 0.00 0.00 56.93 58.45 2o3o s PHE 227 Cb -0.13 -2.30 0.00 0.00 -1.31 0.00 0.00 43.02 39.28 2o3o s PHE 227 CO 0.18 0.14 0.00 0.41 1.83 0.00 0.00 175.22 177.78 2o3o n GLY 228 N -0.63 0.69 3.27 13.12 0.00 -0.90 -4.46 105.19 116.29 2o3o n GLY 228 Ca 0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.01 1.35 0.14 1.61 1.51 -0.23 -0.31 117.35 119.40 2o3o s TYR 229 Ca 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 2o3o s TYR 229 Cb 0.00 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 2o3o s TYR 229 CO 0.00 0.05 0.01 0.14 -1.11 0.00 0.00 175.55 174.64 2o3o s VAL 230 N -3.35 0.40 -0.13 0.71 -7.23 -0.73 -0.29 120.40 109.78 2o3o s VAL 230 Ca 0.20 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2o3o s VAL 230 Cb 0.03 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 2o3o s VAL 230 CO 0.03 -0.57 1.05 0.00 -0.31 0.00 0.00 175.10 175.30 2o3o s ALA 231 N -3.84 3.50 -0.07 1.32 0.00 -1.26 -1.50 121.76 119.90 2o3o s ALA 231 Ca 0.21 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 2o3o s ALA 231 Cb 0.07 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2o3o s ALA 231 CO 0.01 -0.76 0.50 0.37 0.00 0.00 0.00 175.76 175.87 2o3o h GLN 232 N 7.28 -0.21 -3.38 0.00 4.15 -1.08 -3.47 115.11 118.40 2o3o h GLN 232 Ca -0.28 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 2o3o h GLN 232 Cb 1.12 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.79 2o3o h GLN 232 CO 0.90 0.06 0.02 1.52 -1.93 0.00 0.00 178.83 179.39 2o3o s TYR 233 N -2.65 0.11 0.12 3.99 -0.85 -1.21 -5.05 117.35 111.81 2o3o s TYR 233 Ca -0.08 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 2o3o s TYR 233 Cb 0.00 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 2o3o s TYR 233 CO 0.27 -1.07 0.27 -1.25 -1.52 0.00 0.00 175.55 172.25 2o3o s PRO 234 N -3.97 3.47 -0.14 -3.49 0.04 -1.26 -1.82 135.00 127.82 2o3o s PRO 234 Ca 0.17 -0.45 -0.00 0.00 0.04 0.00 0.00 61.00 60.75 2o3o s PRO 234 Cb -0.03 -2.97 0.03 0.00 0.04 0.00 0.00 34.50 31.57 2o3o s PRO 234 CO 0.07 0.54 -0.08 -0.51 0.04 0.00 0.00 177.00 177.06 2o3o s LEU 235 N -2.88 1.49 0.00 -3.56 1.43 0.65 -4.97 118.68 110.84 2o3o s LEU 235 Ca 0.36 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2o3o s LEU 235 Cb -0.12 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.14 2o3o s LEU 235 CO 0.28 -0.13 0.00 0.41 0.23 0.00 0.00 176.35 177.14 2o3o n THR 236 N 4.87 0.00 -0.94 5.49 -1.04 -1.26 0.13 114.28 121.53 2o3o n THR 236 Ca -0.13 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.96 2o3o n THR 236 Cb 0.49 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 69.31 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 1.22 4.55 -4.28 8.00 2.88 -1.26 -4.93 113.62 119.81 2o3o n SER 237 Ca 0.00 -2.95 -0.23 0.00 -1.33 0.00 0.00 58.87 54.35 2o3o n SER 237 Cb 0.00 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 62.75 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 -2.74 1.65 0.05 2.46 2.01 0.34 -2.04 115.64 117.37 2o3o s THR 238 Ca 0.46 -1.53 0.05 0.00 0.31 0.00 0.00 61.69 60.99 2o3o s THR 238 Cb 0.36 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2o3o s THR 238 CO 0.12 -0.08 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.79 2o3o s GLN 239 N -1.92 2.36 -0.27 4.92 -1.52 -0.34 -0.25 119.66 122.65 2o3o s GLN 239 Ca 0.06 -0.87 0.02 0.00 -1.95 0.00 0.00 55.36 52.62 2o3o s GLN 239 Cb -0.10 -2.41 0.06 0.00 -0.22 0.00 0.00 33.01 30.33 2o3o s GLN 239 CO 0.04 0.56 -0.09 0.08 -0.25 0.00 0.00 175.29 175.63 2o3o s VAL 240 N -1.11 2.36 0.24 1.09 1.01 -0.76 -1.63 120.40 121.60 2o3o s VAL 240 Ca 0.20 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.64 2o3o s VAL 240 Cb -0.11 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2o3o s VAL 240 CO 0.11 -0.03 0.40 -0.76 0.00 0.00 0.00 175.10 174.82 2o3o s LEU 241 N 1.14 4.23 0.02 3.92 1.43 0.63 -0.45 118.68 129.59 2o3o s LEU 241 Ca -0.08 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 2o3o s LEU 241 Cb -0.20 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 2o3o s LEU 241 CO -0.04 -0.09 0.03 0.00 0.23 0.00 0.00 176.35 176.47 2o3o s ALA 242 N -1.99 -0.02 0.30 4.21 0.00 -0.56 -2.35 121.76 121.36 2o3o s ALA 242 Ca 0.37 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.58 2o3o s ALA 242 Cb -0.10 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 2o3o s ALA 242 CO 0.30 -0.19 0.98 -1.25 0.00 0.00 0.00 175.76 175.61 2o3o s PRO 243 N -1.59 4.61 0.33 0.00 0.04 -1.26 -1.77 135.00 135.36 2o3o s PRO 243 Ca -0.14 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.41 2o3o s PRO 243 Cb -0.08 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 2o3o s PRO 243 CO -0.01 0.27 0.07 0.14 0.04 0.00 0.00 177.00 177.51 2o3o s VAL 244 N -1.43 1.07 -0.09 -0.36 -7.23 0.57 -1.56 120.40 111.37 2o3o s VAL 244 Ca 0.48 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 2o3o s VAL 244 Cb -0.23 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 2o3o s VAL 244 CO 0.29 0.00 -0.15 0.26 -0.31 0.00 0.00 175.10 175.19 2o3o s TRP 245 N -3.34 2.73 -0.38 2.82 0.52 0.11 -2.11 118.94 119.29 2o3o s TRP 245 Ca 0.35 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 55.94 2o3o s TRP 245 Cb 0.08 -1.74 0.09 0.00 -1.15 0.00 0.00 33.47 30.75 2o3o s TRP 245 CO 0.15 -0.08 0.17 0.50 0.02 0.00 0.00 176.95 177.71 2o3o s ARG 246 N -0.08 2.28 -0.14 4.98 6.06 0.16 -1.31 118.95 130.91 2o3o s ARG 246 Ca -0.03 -1.58 -0.07 0.00 -2.50 0.00 0.00 55.73 51.56 2o3o s ARG 246 Cb -0.14 -3.54 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 2o3o s ARG 246 CO 0.04 -0.93 0.10 0.42 -2.50 0.00 0.00 175.30 172.43 2o3o s ILE 247 N 1.25 5.17 -0.22 4.11 1.01 -0.13 -1.38 121.20 131.01 2o3o s ILE 247 Ca 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 2o3o s ILE 247 Cb -0.22 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 2o3o s ILE 247 CO -0.02 0.56 -0.05 -0.89 0.00 0.00 0.00 174.94 174.55 2o3o s THR 248 N -0.56 3.24 0.02 2.92 2.01 -0.81 -1.73 115.64 120.74 2o3o s THR 248 Ca 0.12 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.57 2o3o s THR 248 Cb -0.12 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2o3o s THR 248 CO 0.02 0.39 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.54 2o3o s VAL 249 N 1.45 3.26 0.02 3.82 1.01 -0.96 0.12 120.40 129.12 2o3o s VAL 249 Ca 0.05 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2o3o s VAL 249 Cb -0.14 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2o3o s VAL 249 CO -0.04 0.36 -0.04 -1.83 0.00 0.00 0.00 175.10 173.55 2o3o s GLU 250 N -1.45 0.32 0.30 2.72 -1.05 -0.26 -0.94 118.70 118.33 2o3o s GLU 250 Ca 0.16 -0.43 0.03 0.00 -0.15 0.00 0.00 54.97 54.58 2o3o s GLU 250 Cb -0.11 -0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.44 2o3o s GLU 250 CO 0.07 0.02 0.27 1.52 0.95 0.00 0.00 175.26 178.08 2o3o s TYR 251 N -0.87 1.49 -0.00 4.83 -0.85 -1.14 -1.45 117.35 119.35 2o3o s TYR 251 Ca -0.08 -1.52 -0.09 0.00 -0.52 0.00 0.00 57.07 54.86 2o3o s TYR 251 Cb -0.06 -0.57 -0.05 0.00 0.38 0.00 0.00 41.96 41.65 2o3o s TYR 251 CO -0.00 -0.85 0.30 -1.21 -1.52 0.00 0.00 175.55 172.26 2o3o s GLU 252 N -3.59 3.65 0.00 -3.49 0.41 -1.26 -2.28 118.70 112.14 2o3o s GLU 252 Ca 0.39 0.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 2o3o s GLU 252 Cb 0.03 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 2o3o s GLU 252 CO 0.22 0.67 0.00 1.17 -0.49 0.00 0.00 175.26 176.83 2o3o n LYS 253 N 1.38 0.00 0.00 1.61 4.81 -1.26 -4.92 118.16 119.78 2o3o n LYS 253 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2o3o n LYS 253 Cb 0.53 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2o3o n LYS 253 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2o3o n LYS 260 N 0.00 0.00 -3.38 1.64 3.00 -1.26 -5.12 118.16 113.03 2o3o n LYS 260 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2o3o n LYS 260 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.97 2o3o n LYS 260 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2o3o s THR 261 N -3.59 -0.54 0.52 3.15 2.01 -1.26 -5.01 115.64 110.93 2o3o s THR 261 Ca 0.00 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 2o3o s THR 261 Cb 0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2o3o s THR 261 CO 0.00 -0.15 0.87 -0.69 -0.69 0.00 0.00 174.62 173.96 2o3o s VAL 262 N 2.49 4.82 -0.06 3.82 1.01 -0.96 -4.96 120.40 126.56 2o3o s VAL 262 Ca 0.11 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2o3o s VAL 262 Cb -0.15 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2o3o s VAL 262 CO -0.15 -0.91 -0.04 -1.10 0.00 0.00 0.00 175.10 172.91 2o3o s GLN 263 N -4.76 0.85 -0.01 2.72 -0.21 -1.26 -2.90 119.66 114.09 2o3o s GLN 263 Ca 0.51 -0.06 -0.00 0.00 0.02 0.00 0.00 55.36 55.82 2o3o s GLN 263 Cb -0.10 -0.96 -0.04 0.00 1.00 0.00 0.00 33.01 32.91 2o3o s GLN 263 CO 0.46 -0.16 0.06 -1.21 -2.12 0.00 0.00 175.29 172.32 2o3o s GLU 264 N 1.29 3.02 -0.08 2.91 2.02 -0.12 -5.00 118.70 122.75 2o3o s GLU 264 Ca -0.05 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.48 2o3o s GLU 264 Cb -0.14 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 2o3o s GLU 264 CO -0.02 0.65 -0.16 0.71 0.02 0.00 0.00 175.26 176.46 2o3o s TYR 265 N -1.15 2.69 0.01 1.61 1.51 -1.26 -2.26 117.35 118.50 2o3o s TYR 265 Ca 0.21 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2o3o s TYR 265 Cb -0.12 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2o3o s TYR 265 CO 0.12 -0.01 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.33 2o3o s PHE 266 N -0.28 1.42 -0.22 2.71 0.40 -0.70 -5.00 117.98 116.30 2o3o s PHE 266 Ca 0.02 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 2o3o s PHE 266 Cb -0.13 -0.89 0.01 0.00 0.51 0.00 0.00 43.02 42.52 2o3o s PHE 266 CO 0.03 0.00 -0.08 0.99 0.70 0.00 0.00 175.22 176.86 2o3o s THR 267 N -0.52 3.00 -0.15 0.64 2.01 -1.26 -0.95 115.64 118.40 2o3o s THR 267 Ca 0.05 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 2o3o s THR 267 Cb -0.07 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 2o3o s THR 267 CO 0.00 0.39 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.51 2o3o s VAL 268 N 1.41 2.98 0.22 3.82 1.01 -0.43 -4.96 120.40 124.46 2o3o s VAL 268 Ca 0.04 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 61.04 2o3o s VAL 268 Cb -0.15 -2.28 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 2o3o s VAL 268 CO -0.05 0.50 1.69 -3.20 0.00 0.00 0.00 175.10 174.04 2o3o n ASN 269 N 3.93 3.91 -0.03 3.32 4.05 -1.26 -0.71 115.26 128.47 2o3o n ASN 269 Ca -0.18 1.08 0.11 0.00 0.45 0.00 0.00 54.58 56.03 2o3o n ASN 269 Cb 0.52 -1.57 0.09 0.00 1.23 0.00 0.00 39.78 40.05 2o3o n ASN 269 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2o3o n ALA 270 N 3.60 4.04 -2.55 5.20 0.00 -0.60 -4.84 120.51 125.37 2o3o n ALA 270 Ca 0.15 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 2o3o n ALA 270 Cb 0.35 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.96 4.36 0.17 0.00 1.43 -1.26 -0.97 118.68 119.45 2o3o s LEU 271 Ca 0.11 1.85 0.26 0.00 -1.03 0.00 0.00 54.13 55.31 2o3o s LEU 271 Cb 0.17 -3.57 0.73 0.00 0.03 0.00 0.00 46.19 43.55 2o3o s LEU 271 CO 0.76 -0.39 1.68 1.21 0.23 0.00 0.00 176.35 179.83 2o3o n GLU 272 N 4.04 0.24 -2.37 1.70 2.13 -1.18 -4.85 120.64 120.35 2o3o n GLU 272 Ca 0.08 0.16 -0.42 0.00 0.66 0.00 0.00 57.16 57.64 2o3o n GLU 272 Cb 0.48 -1.75 -0.03 0.00 0.27 0.00 0.00 31.44 30.41 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 -4.30 7.04 0.06 4.31 1.04 -1.26 -4.86 113.70 115.73 2o3o s SER 273 Ca 0.10 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.66 2o3o s SER 273 Cb 0.13 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2o3o s SER 273 CO 0.62 -0.47 0.00 0.35 0.98 0.00 0.00 173.24 174.72 2o3o n THR 274 N 3.53 0.00 -3.28 2.02 -2.24 -1.26 -5.06 114.28 107.99 2o3o n THR 274 Ca 0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 2o3o n THR 274 Cb 0.45 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.00 5.05 0.66 2.28 1.01 -1.26 -5.06 121.20 121.87 2o3o s ILE 275 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 2o3o s ILE 275 Cb 0.00 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.54 2o3o s ILE 275 CO 0.00 -0.29 0.95 -0.76 0.00 0.00 0.00 174.94 174.83 2o3o s LEU 276 N 2.29 2.96 0.49 2.97 1.43 -1.26 -5.06 118.68 122.50 2o3o s LEU 276 Ca 0.16 0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 53.32 2o3o s LEU 276 Cb -0.16 -2.97 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 2o3o s LEU 276 CO 0.14 -1.49 1.14 -0.62 0.23 0.00 0.00 176.35 175.74 2o3o s ASP 277 N -4.51 6.01 -0.17 2.29 2.15 -1.26 -5.06 116.67 116.13 2o3o s ASP 277 Ca 0.60 2.22 -0.15 0.00 0.43 0.00 0.00 52.55 55.65 2o3o s ASP 277 Cb -0.10 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 2o3o s ASP 277 CO 0.43 -1.02 0.45 -0.89 -0.17 0.00 0.00 175.17 173.96 2o3o s THR 278 N -1.67 -0.00 -0.39 1.71 2.01 -1.26 -5.11 115.64 110.93 2o3o s THR 278 Ca 0.67 0.01 -0.27 0.00 0.31 0.00 0.00 61.69 62.41 2o3o s THR 278 Cb -0.26 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2o3o s THR 278 CO 0.30 0.00 2.04 -1.81 -0.69 0.00 0.00 174.62 174.47 2o3o s ASP 279 N 0.33 5.36 0.00 3.53 1.01 -1.26 -5.35 116.67 120.29 2o3o s ASP 279 Ca -0.01 1.22 0.00 0.00 0.71 0.00 0.00 52.55 54.47 2o3o s ASP 279 Cb -0.03 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.38 2o3o s ASP 279 CO -0.00 -2.15 0.00 0.00 0.21 0.00 0.00 175.17 173.23