#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3o h GLU 35 N 0.00 0.08 0.00 1.64 4.57 -2.06 -2.62 114.58 116.19 2o3o h GLU 35 Ca 0.00 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2o3o h GLU 35 Cb 0.00 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2o3o h GLU 35 CO 0.00 0.67 -0.02 0.10 -1.18 0.00 0.00 179.01 178.58 2o3o h TYR 36 N 0.06 0.00 -0.10 0.92 -0.00 -2.05 -2.57 116.97 113.23 2o3o h TYR 36 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 2o3o h TYR 36 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.83 2o3o h TYR 36 CO 0.01 0.02 -0.04 1.49 -0.00 0.00 0.00 178.16 179.64 2o3o h GLU 37 N 0.00 0.21 -0.45 0.10 4.57 -1.89 0.73 114.58 117.85 2o3o h GLU 37 Ca -0.00 -0.09 0.08 0.00 -1.18 0.00 0.00 59.36 58.17 2o3o h GLU 37 Cb 0.35 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 2o3o h GLU 37 CO 0.00 0.55 0.03 0.28 -1.18 0.00 0.00 179.01 178.70 2o3o h VAL 38 N -0.14 0.69 -0.18 0.32 2.07 -1.51 -2.29 116.25 115.21 2o3o h VAL 38 Ca 0.02 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 2o3o h VAL 38 Cb 0.49 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2o3o h VAL 38 CO 0.01 0.03 -0.66 0.40 0.02 0.00 0.00 177.57 177.37 2o3o h ILE 39 N 0.15 1.30 -0.00 4.57 1.08 -1.46 -1.96 117.51 121.19 2o3o h ILE 39 Ca 0.22 -1.90 -0.08 0.00 -0.39 0.00 0.00 64.86 62.71 2o3o h ILE 39 Cb 0.31 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 2o3o h ILE 39 CO -0.34 0.60 -0.40 0.11 -0.69 0.00 0.00 178.15 177.42 2o3o h LYS 40 N 0.51 0.00 -0.00 2.37 1.57 -0.71 -1.92 116.57 118.39 2o3o h LYS 40 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2o3o h LYS 40 Cb 1.26 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2o3o h LYS 40 CO 0.13 0.40 -0.51 0.27 -0.57 0.00 0.00 179.45 179.18 2o3o n ASN 41 N -4.06 0.58 0.12 0.86 6.94 -0.87 -2.21 115.26 116.62 2o3o n ASN 41 Ca -0.02 -0.35 -0.12 0.00 -0.02 0.00 0.00 54.58 54.07 2o3o n ASN 41 Cb 0.43 0.28 -0.08 0.00 -2.36 0.00 0.00 39.78 38.06 2o3o n ASN 41 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2o3o h ASP 42 N 0.11 -0.29 -0.82 0.53 3.32 -1.00 -3.01 116.42 115.25 2o3o h ASP 42 Ca 0.00 -0.23 0.13 0.00 0.02 0.00 0.00 57.03 56.95 2o3o h ASP 42 Cb 0.50 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 2o3o h ASP 42 CO 0.00 0.14 0.54 0.58 -1.72 0.00 0.00 179.24 178.77 2o3o h VAL 43 N -0.80 0.85 -0.31 -1.35 2.07 -1.36 0.99 116.25 116.34 2o3o h VAL 43 Ca -0.04 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 2o3o h VAL 43 Cb 0.51 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2o3o h VAL 43 CO 0.06 0.11 -0.42 -0.08 0.02 0.00 0.00 177.57 177.26 2o3o h GLU 44 N 0.60 0.78 -0.22 1.57 4.81 -1.52 -3.12 114.58 117.48 2o3o h GLU 44 Ca 0.40 -0.42 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 2o3o h GLU 44 Cb 0.70 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2o3o h GLU 44 CO -0.16 1.05 -0.66 0.45 -0.73 0.00 0.00 179.01 178.96 2o3o h HIS 45 N 0.63 1.08 0.00 0.92 3.86 -1.17 -2.53 115.15 117.95 2o3o h HIS 45 Ca 0.05 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2o3o h HIS 45 Cb 0.98 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.27 2o3o h HIS 45 CO 0.05 1.26 0.00 -0.25 0.86 0.00 0.00 177.93 179.85 2o3o n ASP 46 N -3.97 0.00 0.00 2.45 10.43 0.25 -1.47 116.55 124.24 2o3o n ASP 46 Ca -0.06 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.30 2o3o n ASP 46 Cb 0.69 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.65 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 0.74 0.00 -0.08 -1.24 4.01 -0.95 -2.43 118.16 118.22 2o3o n LYS 48 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 2o3o n LYS 48 Cb 0.00 0.00 0.24 0.00 -0.51 0.00 0.00 35.03 34.76 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 1.28 -0.33 7.82 0.00 -1.56 -2.89 119.26 123.58 2o3o h ALA 49 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2o3o h ALA 49 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2o3o h ALA 49 CO 0.00 0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 2o3o n ASP 50 N -4.28 2.07 -3.62 0.00 8.00 -1.02 -4.94 116.55 112.76 2o3o n ASP 50 Ca 0.03 -1.91 -0.21 0.00 0.71 0.00 0.00 54.79 53.40 2o3o n ASP 50 Cb 0.23 -0.22 0.06 0.00 -0.02 0.00 0.00 41.12 41.17 2o3o n ASP 50 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2o3o n HIS 51 N 0.61 -2.20 -3.51 1.24 8.25 -1.09 -1.54 115.22 116.98 2o3o n HIS 51 Ca 0.15 0.91 -0.42 0.00 -0.26 0.00 0.00 57.72 58.10 2o3o n HIS 51 Cb 0.35 -4.69 -0.10 0.00 1.12 0.00 0.00 29.99 26.67 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 -3.46 5.13 -0.11 1.59 1.01 -1.26 -2.44 121.20 121.66 2o3o s ILE 52 Ca 0.17 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 2o3o s ILE 52 Cb -0.08 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2o3o s ILE 52 CO 0.77 -0.21 0.29 -0.89 0.00 0.00 0.00 174.94 174.90 2o3o s THR 53 N 1.67 5.28 -0.01 2.92 2.01 -0.80 -4.71 115.64 122.00 2o3o s THR 53 Ca 0.05 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.51 2o3o s THR 53 Cb -0.19 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2o3o s THR 53 CO 0.09 0.49 0.17 -0.72 -0.69 0.00 0.00 174.62 173.97 2o3o s TYR 54 N -0.30 -0.03 -0.04 4.92 -0.85 -1.26 -0.66 117.35 119.14 2o3o s TYR 54 Ca 0.18 0.02 0.01 0.00 -0.52 0.00 0.00 57.07 56.77 2o3o s TYR 54 Cb -0.14 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.21 2o3o s TYR 54 CO 0.06 -0.27 -0.06 -1.21 -1.52 0.00 0.00 175.55 172.56 2o3o s GLU 55 N -1.13 0.84 -1.27 -3.49 2.02 -1.26 -4.93 118.70 109.48 2o3o s GLU 55 Ca -0.12 -0.16 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 2o3o s GLU 55 Cb -0.06 -0.82 0.00 0.00 0.10 0.00 0.00 34.13 33.35 2o3o s GLU 55 CO 0.02 -0.02 0.80 0.41 0.02 0.00 0.00 175.26 176.48 2o3o n GLY 56 N 3.78 -0.31 3.79 -1.39 0.00 -1.26 -4.98 105.19 104.82 2o3o n GLY 56 Ca -0.23 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -6.58 4.42 0.17 0.99 1.43 -1.26 -5.04 118.68 112.80 2o3o s LEU 57 Ca 0.01 0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 53.78 2o3o s LEU 57 Cb -0.00 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 2o3o s LEU 57 CO 0.79 0.19 1.47 0.21 0.23 0.00 0.00 176.35 179.24 2o3o s ASN 58 N -0.45 6.69 0.00 2.29 2.47 -1.26 -4.90 114.94 119.78 2o3o s ASN 58 Ca 0.26 2.52 0.18 0.00 0.42 0.00 0.00 52.86 56.24 2o3o s ASN 58 Cb -0.17 -2.60 0.11 0.00 -1.45 0.00 0.00 41.25 37.15 2o3o s ASN 58 CO 0.14 -0.73 1.03 0.29 -3.72 0.00 0.00 177.10 174.11 2o3o n LYS 59 N 3.56 1.52 -3.95 0.43 5.02 -1.26 -2.41 118.16 121.08 2o3o n LYS 59 Ca 0.11 -1.42 -0.37 0.00 -2.02 0.00 0.00 58.31 54.62 2o3o n LYS 59 Cb 0.40 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.60 3.43 0.27 1.97 0.41 -1.26 -4.92 118.70 117.00 2o3o s GLU 60 Ca 0.20 -0.18 -0.29 0.00 -0.41 0.00 0.00 54.97 54.28 2o3o s GLU 60 Cb 0.15 -3.14 -0.10 0.00 -1.78 0.00 0.00 34.13 29.26 2o3o s GLU 60 CO 0.27 0.73 1.31 0.00 -0.49 0.00 0.00 175.26 177.08 2o3o s ALA 61 N -0.89 3.52 0.44 5.21 0.00 -1.26 -4.70 121.76 124.08 2o3o s ALA 61 Ca 0.14 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.35 2o3o s ALA 61 Cb -0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2o3o s ALA 61 CO 0.03 -0.58 0.18 0.95 0.00 0.00 0.00 175.76 176.34 2o3o s THR 62 N -0.52 2.06 -0.08 0.00 -4.23 -1.26 -5.00 115.64 106.60 2o3o s THR 62 Ca 0.53 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 2o3o s THR 62 Cb -0.38 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 70.67 2o3o s THR 62 CO 0.45 0.00 -0.24 -1.61 -0.54 0.00 0.00 174.62 172.68 2o3o s GLU 63 N -3.94 2.87 0.00 3.99 0.41 -1.26 -1.01 118.70 119.76 2o3o s GLU 63 Ca 0.36 -0.89 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 2o3o s GLU 63 Cb 0.03 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 2o3o s GLU 63 CO 0.20 0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 2o3o n GLY 64 N 3.31 6.08 3.14 -1.39 0.00 0.51 -4.93 105.19 111.91 2o3o n GLY 64 Ca -0.18 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 2o3o n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o3o s TYR 65 N -0.31 0.15 0.16 1.61 1.51 -1.26 -1.08 117.35 118.13 2o3o s TYR 65 Ca 0.00 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.39 2o3o s TYR 65 Cb 0.00 -0.10 -0.08 0.00 -0.11 0.00 0.00 41.96 41.67 2o3o s TYR 65 CO 0.00 -0.39 0.74 1.03 -1.11 0.00 0.00 175.55 175.82 2o3o s ARG 66 N -2.65 4.46 0.03 -0.62 0.52 -0.48 -4.18 118.95 116.03 2o3o s ARG 66 Ca -0.05 1.05 0.04 0.00 -0.52 0.00 0.00 55.73 56.25 2o3o s ARG 66 Cb -0.01 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 2o3o s ARG 66 CO -0.05 0.55 -0.11 0.96 0.02 0.00 0.00 175.30 176.67 2o3o s ILE 67 N -1.21 0.89 0.22 1.52 -4.36 -0.63 -1.59 121.20 116.04 2o3o s ILE 67 Ca 0.36 -0.88 0.07 0.00 -0.26 0.00 0.00 60.65 59.94 2o3o s ILE 67 Cb -0.21 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 2o3o s ILE 67 CO 0.24 -0.04 0.10 0.42 0.24 0.00 0.00 174.94 175.90 2o3o s THR 68 N -0.82 4.11 0.08 8.37 -4.23 -0.27 -0.14 115.64 122.75 2o3o s THR 68 Ca -0.00 -1.43 -0.17 0.00 -1.18 0.00 0.00 61.69 58.90 2o3o s THR 68 Cb -0.07 -3.16 0.04 0.00 1.34 0.00 0.00 72.50 70.65 2o3o s THR 68 CO 0.01 -0.25 0.41 0.00 -0.54 0.00 0.00 174.62 174.25 2o3o s ALA 69 N -2.00 -0.99 0.07 3.99 0.00 -0.68 -1.70 121.76 120.45 2o3o s ALA 69 Ca 0.31 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.36 2o3o s ALA 69 Cb -0.08 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 2o3o s ALA 69 CO 0.22 -0.55 0.33 -0.80 0.00 0.00 0.00 175.76 174.96 2o3o s ASN 70 N -2.40 6.52 -0.29 0.00 0.01 0.33 -1.66 114.94 117.46 2o3o s ASN 70 Ca -0.01 0.61 -0.29 0.00 -0.71 0.00 0.00 52.86 52.46 2o3o s ASN 70 Cb 0.01 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.57 2o3o s ASN 70 CO -0.07 0.16 1.16 -1.58 -1.51 0.00 0.00 177.10 175.26 2o3o s GLN 71 N -2.13 4.06 0.20 -0.60 2.00 -1.25 -0.74 119.66 121.20 2o3o s GLN 71 Ca 0.34 1.23 -0.33 0.00 -2.00 0.00 0.00 55.36 54.60 2o3o s GLN 71 Cb -0.13 -3.77 -0.13 0.00 0.80 0.00 0.00 33.01 29.77 2o3o s GLN 71 CO 0.20 -0.92 1.52 1.17 -0.50 0.00 0.00 175.29 176.77 2o3o n LYS 72 N 6.92 2.17 -3.67 1.67 3.00 -0.17 -4.94 118.16 123.13 2o3o n LYS 72 Ca 0.13 0.78 -0.37 0.00 -0.00 0.00 0.00 58.31 58.85 2o3o n LYS 72 Cb 0.47 -2.51 -0.10 0.00 0.00 0.00 0.00 35.03 32.88 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 0.66 5.98 -0.21 3.14 0.15 -1.26 -4.42 113.70 117.74 2o3o s SER 73 Ca 0.74 0.05 -0.20 0.00 0.70 0.00 0.00 55.95 57.24 2o3o s SER 73 Cb -0.65 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 2o3o s SER 73 CO 0.43 0.03 0.59 -0.36 1.20 0.00 0.00 173.24 175.13 2o3o s PHE 74 N 1.27 3.36 0.53 3.44 0.40 -0.06 -5.02 117.98 121.90 2o3o s PHE 74 Ca 0.07 0.86 -0.06 0.00 -0.60 0.00 0.00 56.93 57.20 2o3o s PHE 74 Cb -0.14 -2.77 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 2o3o s PHE 74 CO 0.06 -0.18 0.86 -1.54 0.70 0.00 0.00 175.22 175.12 2o3o s SER 75 N 1.23 6.07 0.19 1.36 1.04 -1.26 -4.53 113.70 117.80 2o3o s SER 75 Ca 0.27 0.95 -0.10 0.00 0.48 0.00 0.00 55.95 57.54 2o3o s SER 75 Cb -0.16 -2.13 0.11 0.00 0.10 0.00 0.00 66.02 63.94 2o3o s SER 75 CO 0.10 -0.76 1.76 0.50 0.98 0.00 0.00 173.24 175.81 2o3o h LYS 76 N 0.02 1.01 0.03 4.02 3.64 -1.97 -1.58 116.57 121.74 2o3o h LYS 76 Ca -0.46 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 58.77 2o3o h LYS 76 Cb 1.22 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 2o3o h LYS 76 CO 0.61 0.83 -0.30 0.93 -2.27 0.00 0.00 179.45 179.26 2o3o h GLU 77 N 0.96 -0.45 -0.98 1.90 5.08 -1.99 -2.26 114.58 116.85 2o3o h GLU 77 Ca 0.23 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 2o3o h GLU 77 Cb 0.19 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 2o3o h GLU 77 CO -0.02 -0.30 0.62 0.93 -1.00 0.00 0.00 179.01 179.24 2o3o h GLU 78 N -0.46 0.98 0.40 2.33 5.08 -1.85 -0.06 114.58 120.99 2o3o h GLU 78 Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2o3o h GLU 78 Cb 0.54 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2o3o h GLU 78 CO -0.24 0.65 -0.19 0.82 -1.00 0.00 0.00 179.01 179.05 2o3o h ILE 79 N 1.01 0.44 0.00 3.13 2.04 -1.01 -3.04 117.51 120.08 2o3o h ILE 79 Ca 0.47 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2o3o h ILE 79 Cb 0.40 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2o3o h ILE 79 CO -0.24 0.08 0.00 1.05 0.00 0.00 0.00 178.15 179.04 2o3o h GLU 80 N -0.96 0.00 0.00 2.37 4.11 -1.31 -2.30 114.58 116.49 2o3o h GLU 80 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2o3o h GLU 80 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2o3o h GLU 80 CO 0.09 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.17 2o3o h ALA 81 N 2.12 1.00 -2.27 1.06 0.00 -0.88 -3.42 119.26 116.86 2o3o h ALA 81 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2o3o h ALA 81 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2o3o h ALA 81 CO 0.00 0.00 0.81 -0.51 0.00 0.00 0.00 179.25 179.55 2o3o s LEU 82 N -5.47 4.26 -0.02 0.00 1.43 -0.87 -5.01 118.68 113.00 2o3o s LEU 82 Ca 0.02 1.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 2o3o s LEU 82 Cb 0.09 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2o3o s LEU 82 CO 0.47 -0.69 0.33 -0.75 0.23 0.00 0.00 176.35 175.94 2o3o s LYS 83 N 2.74 3.76 -1.54 1.70 2.20 -1.26 -4.12 119.74 123.23 2o3o s LYS 83 Ca 0.58 0.22 -0.12 0.00 -0.36 0.00 0.00 55.97 56.29 2o3o s LYS 83 Cb -0.26 -3.17 0.09 0.00 -1.51 0.00 0.00 37.83 32.97 2o3o s LYS 83 CO 0.21 0.69 0.86 -0.25 -0.36 0.00 0.00 175.35 176.51 2o3o n ASP 84 N 1.69 -3.67 -4.06 1.43 8.00 -1.26 -4.99 116.55 113.69 2o3o n ASP 84 Ca -0.14 -0.86 -0.12 0.00 0.71 0.00 0.00 54.79 54.38 2o3o n ASP 84 Cb 0.53 -3.58 -0.11 0.00 -0.02 0.00 0.00 41.12 37.94 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 -6.61 0.52 -0.01 -1.24 -0.21 -1.26 -2.02 119.66 108.83 2o3o s GLN 85 Ca 0.55 -0.77 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 2o3o s GLN 85 Cb -0.28 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.49 2o3o s GLN 85 CO 0.86 0.03 0.04 0.15 -2.12 0.00 0.00 175.29 174.25 2o3o s LYS 86 N -1.68 0.17 0.26 2.91 -0.14 0.08 -4.90 119.74 116.45 2o3o s LYS 86 Ca -0.10 -0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.04 2o3o s LYS 86 Cb -0.09 0.07 -0.09 0.00 -1.68 0.00 0.00 37.83 36.04 2o3o s LYS 86 CO -0.00 -0.03 1.05 -1.25 -0.76 0.00 0.00 175.35 174.36 2o3o s PRO 87 N -0.54 4.71 -0.67 -1.68 0.04 -1.26 -1.25 135.00 134.35 2o3o s PRO 87 Ca -0.06 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2o3o s PRO 87 Cb -0.04 -3.23 0.40 0.00 0.04 0.00 0.00 34.50 31.68 2o3o s PRO 87 CO -0.00 0.30 1.78 1.28 0.04 0.00 0.00 177.00 180.40 2o3o n LEU 88 N 1.39 6.81 0.00 -3.56 4.77 0.01 -4.91 117.00 121.52 2o3o n LEU 88 Ca -0.01 -4.75 0.00 0.00 -0.03 0.00 0.00 56.01 51.22 2o3o n LEU 88 Cb 0.46 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2o3o n LEU 88 CO 0.53 1.80 0.00 0.47 -1.33 0.00 0.00 177.39 178.86 2o3o n ASP 90 N -0.65 0.00 -4.20 -1.43 8.00 -1.26 -5.03 116.55 111.98 2o3o n ASP 90 Ca 0.53 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.62 2o3o n ASP 90 Cb 0.50 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 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 2.88 2.54 0.86 -0.24 0.04 -1.26 -4.93 135.00 134.89 2o3o s PRO 92 Ca 0.00 -1.95 -0.14 0.00 0.04 0.00 0.00 61.00 58.94 2o3o s PRO 92 Cb 0.00 -3.91 0.20 0.00 0.04 0.00 0.00 34.50 30.83 2o3o s PRO 92 CO 0.00 -1.19 1.16 -1.13 0.04 0.00 0.00 177.00 175.88 2o3o n SER 93 N 4.58 0.10 -0.10 6.66 3.41 -0.71 -4.87 113.62 122.68 2o3o n SER 93 Ca -0.03 -1.43 -0.07 0.00 -0.26 0.00 0.00 58.87 57.08 2o3o n SER 93 Cb 0.41 -0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.52 -0.95 0.15 4.04 5.19 -2.06 -3.23 116.42 118.03 2o3o h ASP 94 Ca -0.38 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 2o3o h ASP 94 Cb 1.04 0.45 0.00 0.00 0.18 0.00 0.00 39.33 41.01 2o3o h ASP 94 CO 0.27 -0.30 -0.07 -0.78 -3.12 0.00 0.00 179.24 175.23 2o3o h ASP 95 N -0.24 -0.17 -3.49 6.45 1.82 -2.09 -3.45 116.42 115.25 2o3o h ASP 95 Ca 0.17 0.01 -0.52 0.00 -0.39 0.00 0.00 57.03 56.29 2o3o h ASP 95 Cb 0.51 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.56 2o3o h ASP 95 CO -0.50 -0.07 0.45 -2.28 -1.61 0.00 0.00 179.24 175.23 2o3o s HIS 96 N -2.71 3.63 0.20 0.28 2.46 -1.22 -5.06 115.29 112.87 2o3o s HIS 96 Ca -0.03 1.61 0.05 0.00 0.47 0.00 0.00 55.06 57.17 2o3o s HIS 96 Cb 0.00 -3.23 -0.04 0.00 -0.13 0.00 0.00 32.58 29.19 2o3o s HIS 96 CO 0.09 -0.44 0.22 0.15 -2.47 0.00 0.00 174.74 172.28 2o3o s LYS 97 N 0.07 3.11 -0.31 2.88 1.02 -1.26 -1.74 119.74 123.51 2o3o s LYS 97 Ca 0.50 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.68 2o3o s LYS 97 Cb -0.27 -2.73 0.09 0.00 -0.52 0.00 0.00 37.83 34.39 2o3o s LYS 97 CO 0.32 0.46 0.00 0.08 -0.92 0.00 0.00 175.35 175.30 2o3o s VAL 98 N -1.88 2.09 -0.94 3.17 1.01 -1.26 -4.91 120.40 117.68 2o3o s VAL 98 Ca 0.33 -2.01 0.15 0.00 0.00 0.00 0.00 61.98 60.45 2o3o s VAL 98 Cb -0.10 -2.44 0.49 0.00 0.00 0.00 0.00 36.38 34.34 2o3o s VAL 98 CO 0.26 -0.42 1.42 0.35 0.00 0.00 0.00 175.10 176.70 2o3o n THR 99 N 4.37 1.48 -3.40 3.92 -2.24 -1.26 -0.88 114.28 116.27 2o3o n THR 99 Ca -0.02 -1.23 -0.11 0.00 -2.27 0.00 0.00 64.05 60.41 2o3o n THR 99 Cb 0.42 0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.17 0.45 0.66 3.42 0.15 -1.26 -4.69 113.70 111.26 2o3o s SER 100 Ca 0.37 0.18 -0.12 0.00 0.70 0.00 0.00 55.95 57.08 2o3o s SER 100 Cb 0.23 0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 65.50 2o3o s SER 100 CO 0.18 -0.30 1.05 -0.76 1.20 0.00 0.00 173.24 174.62 2o3o s LEU 101 N 2.50 3.22 -0.30 3.45 1.43 0.20 -4.89 118.68 124.30 2o3o s LEU 101 Ca 0.11 1.61 -0.10 0.00 -1.03 0.00 0.00 54.13 54.72 2o3o s LEU 101 Cb -0.15 -4.50 0.15 0.00 0.03 0.00 0.00 46.19 41.72 2o3o s LEU 101 CO -0.15 -1.27 0.74 -0.75 0.23 0.00 0.00 176.35 175.15 2o3o s LYS 102 N -4.88 0.49 -0.28 1.70 2.20 -1.25 -1.92 119.74 115.80 2o3o s LYS 102 Ca 0.58 1.14 -0.19 0.00 -0.36 0.00 0.00 55.97 57.14 2o3o s LYS 102 Cb -0.14 0.68 0.09 0.00 -1.51 0.00 0.00 37.83 36.95 2o3o s LYS 102 CO 0.51 -0.25 0.75 0.21 -0.36 0.00 0.00 175.35 176.21 2o3o s LYS 104 N 2.79 0.70 0.06 4.03 2.20 -0.38 -0.81 119.74 128.32 2o3o s LYS 104 Ca 0.00 1.06 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 2o3o s LYS 104 Cb -0.11 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.38 2o3o s LYS 104 CO -0.19 -0.12 1.06 -0.06 -0.36 0.00 0.00 175.35 175.68 2o3o s PHE 105 N 1.16 3.61 0.19 4.03 0.40 -0.69 -0.74 117.98 125.93 2o3o s PHE 105 Ca -0.06 1.58 -0.19 0.00 -0.60 0.00 0.00 56.93 57.66 2o3o s PHE 105 Cb -0.05 -3.22 0.14 0.00 0.51 0.00 0.00 43.02 40.40 2o3o s PHE 105 CO -0.13 -0.44 1.61 0.00 0.70 0.00 0.00 175.22 176.96 2o3o h ALA 106 N 6.41 0.07 -3.22 5.36 0.00 -1.75 -3.36 119.26 122.78 2o3o h ALA 106 Ca -0.42 0.17 -0.67 0.00 0.00 0.00 0.00 54.91 53.99 2o3o h ALA 106 Cb 1.22 0.64 -0.33 0.00 0.00 0.00 0.00 17.79 19.31 2o3o h ALA 106 CO 0.76 -0.60 -0.79 -0.80 0.00 0.00 0.00 179.25 177.82 2o3o s ASN 107 N -5.16 3.87 0.83 0.00 0.01 -1.26 -5.12 114.94 108.12 2o3o s ASN 107 Ca -0.14 -0.78 -0.13 0.00 -0.71 0.00 0.00 52.86 51.10 2o3o s ASN 107 Cb 0.16 -1.59 0.08 0.00 0.41 0.00 0.00 41.25 40.31 2o3o s ASN 107 CO 0.70 -0.07 1.07 -0.81 -1.51 0.00 0.00 177.10 176.48 2o3o n PRO 108 N 4.64 0.03 -3.85 -0.60 -0.04 -1.26 -4.97 135.00 128.96 2o3o n PRO 108 Ca -0.18 0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 63.00 2o3o n PRO 108 Cb 0.48 -2.33 -0.13 0.00 -0.04 0.00 0.00 33.50 31.48 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 -2.22 3.55 -0.72 0.52 1.01 0.39 -4.90 121.20 118.83 2o3o s ILE 109 Ca 0.70 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 60.37 2o3o s ILE 109 Cb -0.28 -2.78 0.04 0.00 0.01 0.00 0.00 42.46 39.46 2o3o s ILE 109 CO 0.54 0.19 1.20 0.00 0.00 0.00 0.00 174.94 176.87 2o3o s ALA 110 N 1.45 2.84 0.79 9.38 0.00 -1.26 -0.89 121.76 134.07 2o3o s ALA 110 Ca 0.03 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.39 2o3o s ALA 110 Cb -0.16 -4.16 0.07 0.00 0.00 0.00 0.00 23.12 18.87 2o3o s ALA 110 CO -0.01 -3.16 1.12 -0.51 0.00 0.00 0.00 175.76 173.20 2o3o s LEU 111 N 5.31 3.04 0.68 0.00 1.43 -1.03 -5.00 118.68 123.12 2o3o s LEU 111 Ca 0.32 1.97 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 2o3o s LEU 111 Cb -0.10 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.62 2o3o s LEU 111 CO 0.14 -2.28 1.00 -0.55 0.23 0.00 0.00 176.35 174.89 2o3o s SER 112 N -3.03 5.02 -0.00 2.29 0.15 -1.26 -4.85 113.70 112.02 2o3o s SER 112 Ca 0.64 0.57 -0.00 0.00 0.70 0.00 0.00 55.95 57.87 2o3o s SER 112 Cb -0.20 -1.31 -0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2o3o s SER 112 CO 0.54 -1.47 0.06 0.11 1.20 0.00 0.00 173.24 173.67 2o3o h LYS 113 N -0.53 -0.00 0.00 5.44 1.57 -1.96 -3.29 116.57 117.80 2o3o h LYS 113 Ca -0.45 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.17 2o3o h LYS 113 Cb 1.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 2o3o h LYS 113 CO 0.61 -0.00 -0.99 0.87 -0.57 0.00 0.00 179.45 179.37 2o3o h LYS 114 N -0.03 0.00 -1.06 3.15 1.57 -2.05 -3.35 116.57 114.81 2o3o h LYS 114 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2o3o h LYS 114 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 2o3o h LYS 114 CO 0.00 0.54 0.74 -3.47 -0.57 0.00 0.00 179.45 176.69 2o3o n ASP 115 N -3.13 6.24 -0.19 0.86 2.03 -1.26 -4.75 116.55 116.35 2o3o n ASP 115 Ca -0.04 -3.60 -0.07 0.00 0.52 0.00 0.00 54.79 51.60 2o3o n ASP 115 Cb 0.84 -0.93 0.02 0.00 -0.72 0.00 0.00 41.12 40.33 2o3o n ASP 115 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o3o h ILE 116 N 0.97 1.18 -0.08 5.18 2.10 -1.70 -2.38 117.51 122.78 2o3o h ILE 116 Ca 0.57 -0.47 -0.00 0.00 1.08 0.00 0.00 64.86 66.03 2o3o h ILE 116 Cb 1.46 0.50 -0.00 0.00 -1.09 0.00 0.00 36.82 37.68 2o3o h ILE 116 CO 1.31 0.20 0.04 -0.33 -1.08 0.00 0.00 178.15 178.29 2o3o h GLU 117 N 0.73 0.12 -0.30 2.19 5.08 -1.91 -0.56 114.58 119.93 2o3o h GLU 117 Ca 0.19 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2o3o h GLU 117 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2o3o h GLU 117 CO -0.03 0.21 0.15 -0.44 -1.00 0.00 0.00 179.01 177.90 2o3o h ASP 118 N 0.00 0.22 -0.72 1.42 5.19 -1.94 -0.20 116.42 120.39 2o3o h ASP 118 Ca 0.03 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.49 2o3o h ASP 118 Cb 0.13 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 2o3o h ASP 118 CO -0.00 0.17 0.48 0.44 -3.12 0.00 0.00 179.24 177.20 2o3o h ASP 119 N 0.32 0.74 0.04 6.45 5.19 -1.11 -0.12 116.42 127.93 2o3o h ASP 119 Ca 0.13 -0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 56.34 2o3o h ASP 119 Cb 0.04 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 2o3o h ASP 119 CO -0.09 0.50 -0.67 0.00 -3.12 0.00 0.00 179.24 175.87 2o3o h ALA 120 N 1.58 0.55 -0.62 3.45 0.00 -0.57 -0.88 119.26 122.77 2o3o h ALA 120 Ca 0.29 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2o3o h ALA 120 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2o3o h ALA 120 CO -0.09 0.71 0.33 1.96 0.00 0.00 0.00 179.25 182.17 2o3o h GLN 121 N 0.42 0.87 -0.03 0.00 4.20 -0.22 -1.29 115.11 119.06 2o3o h GLN 121 Ca -0.02 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 2o3o h GLN 121 Cb 1.24 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2o3o h GLN 121 CO 0.13 0.66 -0.40 0.00 -0.67 0.00 0.00 178.83 178.55 2o3o h ALA 122 N 1.16 1.27 0.52 3.87 0.00 -0.98 -0.80 119.26 124.30 2o3o h ALA 122 Ca 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2o3o h ALA 122 Cb 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2o3o h ALA 122 CO -0.03 0.53 -0.25 1.25 0.00 0.00 0.00 179.25 180.74 2o3o h LEU 123 N 0.06 -0.60 0.20 0.00 5.85 -0.74 -2.77 115.31 117.31 2o3o h LEU 123 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2o3o h LEU 123 Cb 0.74 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2o3o h LEU 123 CO 0.05 -0.25 -0.17 0.58 -0.34 0.00 0.00 178.44 178.31 2o3o h VAL 124 N -0.97 0.62 -0.75 1.05 2.07 -1.19 -1.11 116.25 115.98 2o3o h VAL 124 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2o3o h VAL 124 Cb 0.62 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2o3o h VAL 124 CO 0.12 0.00 0.49 0.28 0.02 0.00 0.00 177.57 178.48 2o3o h SER 125 N -0.40 0.50 0.27 0.57 0.02 -1.24 -1.65 113.55 111.63 2o3o h SER 125 Ca -0.01 0.02 -0.34 0.00 -0.84 0.00 0.00 61.79 60.63 2o3o h SER 125 Cb 0.36 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2o3o h SER 125 CO -0.02 0.28 -1.86 0.77 -1.14 0.00 0.00 176.83 174.86 2o3o h SER 126 N 0.55 0.29 0.00 3.07 4.64 -1.18 -3.41 113.55 117.50 2o3o h SER 126 Ca 0.36 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2o3o h SER 126 Cb 0.63 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2o3o h SER 126 CO -0.13 1.55 -1.36 0.29 -0.87 0.00 0.00 176.83 176.32 2o3o n LYS 127 N -3.34 0.71 -4.01 4.77 5.02 -0.45 -5.00 118.16 115.86 2o3o n LYS 127 Ca -0.25 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.61 2o3o n LYS 127 Cb 1.05 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.78 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 -2.63 5.10 0.16 -0.18 1.01 -0.63 -4.97 121.20 119.07 2o3o s ILE 128 Ca -0.03 -0.19 -0.34 0.00 0.00 0.00 0.00 60.65 60.10 2o3o s ILE 128 Cb 0.07 -3.32 -0.15 0.00 0.01 0.00 0.00 42.46 39.07 2o3o s ILE 128 CO 0.43 0.41 1.45 1.67 0.00 0.00 0.00 174.94 178.90 2o3o n GLN 129 N 1.33 1.81 -1.79 2.79 7.27 -1.26 -1.61 117.38 125.91 2o3o n GLN 129 Ca -0.14 0.65 -0.15 0.00 0.07 0.00 0.00 57.00 57.43 2o3o n GLN 129 Cb 0.53 -2.34 -0.05 0.00 2.41 0.00 0.00 30.24 30.80 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 2.79 -4.27 -0.18 1.69 9.92 -1.26 -4.85 116.55 120.40 2o3o n ASP 130 Ca 0.16 0.29 0.21 0.00 -0.53 0.00 0.00 54.79 54.92 2o3o n ASP 130 Cb 0.27 -3.78 0.59 0.00 -0.64 0.00 0.00 41.12 37.55 2o3o n ASP 130 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2o3o h GLY 131 N 0.00 0.50 2.00 0.44 0.00 -1.49 0.41 103.07 104.94 2o3o h GLY 131 Ca -0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2o3o h GLY 131 CO 0.45 0.01 -0.03 1.05 0.00 0.00 0.00 176.54 178.01 2o3o h GLU 132 N 0.25 0.00 0.00 4.80 9.09 -1.84 -2.70 114.58 124.17 2o3o h GLU 132 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 2o3o h GLU 132 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2o3o h GLU 132 CO -0.10 0.03 0.00 1.63 0.05 0.00 0.00 179.01 180.62 2o3o n LYS 133 N -3.45 0.09 -4.42 1.06 5.02 0.14 -4.77 118.16 111.83 2o3o n LYS 133 Ca -0.02 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 2o3o n LYS 133 Cb 0.14 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.90 3.08 -0.11 2.13 1.51 -1.02 -0.68 117.35 119.36 2o3o s TYR 134 Ca 0.16 0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2o3o s TYR 134 Cb 0.17 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 2o3o s TYR 134 CO 0.46 0.30 -0.06 0.21 -1.11 0.00 0.00 175.55 175.35 2o3o s LYS 135 N -0.49 3.22 0.22 -0.62 2.20 -0.75 -4.91 119.74 118.60 2o3o s LYS 135 Ca 0.08 -0.55 -0.32 0.00 -0.36 0.00 0.00 55.97 54.82 2o3o s LYS 135 Cb -0.12 -2.73 -0.13 0.00 -1.51 0.00 0.00 37.83 33.33 2o3o s LYS 135 CO 0.02 0.43 1.46 -0.11 -0.36 0.00 0.00 175.35 176.79 2o3o n LEU 136 N 2.93 3.17 -0.11 5.43 7.94 -1.26 -1.83 117.00 133.26 2o3o n LEU 136 Ca -0.18 1.13 -0.23 0.00 -1.11 0.00 0.00 56.01 55.62 2o3o n LEU 136 Cb 0.53 -1.44 -0.08 0.00 0.53 0.00 0.00 43.42 42.97 2o3o n LEU 136 CO 0.30 -0.41 -1.21 1.87 -1.11 0.00 0.00 177.39 176.83 2o3o n TRP 137 N 2.27 0.00 -3.62 1.96 -0.00 0.22 -4.83 117.44 113.43 2o3o n TRP 137 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.47 2o3o n TRP 137 Cb 0.31 -0.77 -0.07 0.00 -0.00 0.00 0.00 31.31 30.78 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 -2.45 0.85 -0.24 5.87 2.20 -0.98 -5.01 119.74 119.97 2o3o s LYS 138 Ca -0.31 0.51 -0.06 0.00 -0.36 0.00 0.00 55.97 55.76 2o3o s LYS 138 Cb 0.11 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.82 2o3o s LYS 138 CO 0.39 -0.19 0.02 0.08 -0.36 0.00 0.00 175.35 175.30 2o3o s VAL 139 N -0.44 3.87 -0.41 4.02 1.01 -1.26 -0.98 120.40 126.20 2o3o s VAL 139 Ca -0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2o3o s VAL 139 Cb -0.03 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.64 2o3o s VAL 139 CO 0.05 0.34 0.22 -0.62 0.00 0.00 0.00 175.10 175.08 2o3o s ASP 140 N 1.54 5.30 0.26 3.32 -1.08 -0.39 -4.96 116.67 120.66 2o3o s ASP 140 Ca 0.06 -2.02 0.05 0.00 -0.52 0.00 0.00 52.55 50.12 2o3o s ASP 140 Cb -0.15 -1.85 0.34 0.00 -1.46 0.00 0.00 42.92 39.80 2o3o s ASP 140 CO 0.01 -0.56 1.62 0.11 0.52 0.00 0.00 175.17 176.87 2o3o h LYS 141 N 8.09 0.24 0.52 4.34 1.57 -1.96 0.27 116.57 129.64 2o3o h LYS 141 Ca -0.14 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 2o3o h LYS 141 Cb 1.05 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.38 2o3o h LYS 141 CO 0.71 0.71 -0.25 0.66 -0.57 0.00 0.00 179.45 180.71 2o3o h SER 142 N 0.19 -0.59 0.86 0.86 4.64 -1.95 -2.76 113.55 114.80 2o3o h SER 142 Ca 0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2o3o h SER 142 Cb 0.98 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2o3o h SER 142 CO 0.08 -0.42 0.00 0.29 -0.87 0.00 0.00 176.83 175.91 2o3o n LYS 143 N -5.39 0.05 -3.70 4.77 5.02 -1.18 -4.93 118.16 112.81 2o3o n LYS 143 Ca -0.12 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 2o3o n LYS 143 Cb 0.29 -1.57 0.04 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.65 -5.63 -3.85 1.97 5.02 0.89 -4.87 118.16 110.05 2o3o n LYS 144 Ca 0.05 0.67 -0.11 0.00 -2.02 0.00 0.00 58.31 56.90 2o3o n LYS 144 Cb 0.28 -5.43 -0.09 0.00 -0.02 0.00 0.00 35.03 29.78 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 -6.07 0.61 -0.13 1.97 -1.05 -0.78 -0.81 118.70 112.43 2o3o s GLU 145 Ca 0.22 -0.49 -0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2o3o s GLU 145 Cb -0.11 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.82 2o3o s GLU 145 CO 0.80 -0.16 -0.13 0.42 0.95 0.00 0.00 175.26 177.13 2o3o s ILE 146 N -1.96 3.01 -0.17 1.83 1.01 -1.06 -1.26 121.20 122.59 2o3o s ILE 146 Ca -0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2o3o s ILE 146 Cb -0.04 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2o3o s ILE 146 CO -0.01 0.52 -0.08 -0.63 0.00 0.00 0.00 174.94 174.75 2o3o s ILE 147 N 0.37 3.32 -0.08 2.92 1.01 -0.16 -1.23 121.20 127.36 2o3o s ILE 147 Ca -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.01 2o3o s ILE 147 Cb -0.16 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 2o3o s ILE 147 CO 0.06 0.48 -0.09 -0.36 0.00 0.00 0.00 174.94 175.02 2o3o s PHE 148 N 0.84 2.86 -0.16 3.97 0.40 0.33 0.71 117.98 126.92 2o3o s PHE 148 Ca -0.02 -0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 56.11 2o3o s PHE 148 Cb -0.15 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 2o3o s PHE 148 CO 0.01 0.19 0.05 -0.06 0.70 0.00 0.00 175.22 176.12 2o3o s PHE 149 N -0.54 3.25 0.61 0.36 0.08 -0.76 -1.90 117.98 119.08 2o3o s PHE 149 Ca 0.08 0.10 -0.19 0.00 0.12 0.00 0.00 56.93 57.04 2o3o s PHE 149 Cb -0.12 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 2o3o s PHE 149 CO 0.02 0.23 1.10 0.94 -0.10 0.00 0.00 175.22 177.40 2o3o n GLN 150 N 3.24 1.04 -4.38 0.44 7.27 -0.51 -1.82 117.38 122.66 2o3o n GLN 150 Ca -0.17 0.40 -0.25 0.00 0.07 0.00 0.00 57.00 57.05 2o3o n GLN 150 Cb 0.53 -2.31 -0.09 0.00 2.41 0.00 0.00 30.24 30.78 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 -1.45 2.61 -0.06 1.69 -4.23 0.14 -1.79 115.64 112.54 2o3o s THR 151 Ca 0.77 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2o3o s THR 151 Cb -0.41 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 70.71 2o3o s THR 151 CO 0.45 -0.22 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.83 2o3o s TYR 152 N -2.52 0.67 -1.43 3.99 5.04 0.75 -4.89 117.35 118.96 2o3o s TYR 152 Ca 0.34 -0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 54.73 2o3o s TYR 152 Cb -0.00 -0.75 0.04 0.00 0.35 0.00 0.00 41.96 41.59 2o3o s TYR 152 CO 0.19 -0.29 0.79 0.39 -1.34 0.00 0.00 175.55 175.28 2o3o n GLU 153 N 4.87 -4.91 0.00 4.97 1.02 -1.26 -0.73 120.64 124.60 2o3o n GLU 153 Ca -0.12 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2o3o n GLU 153 Cb 0.50 -5.23 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 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 -1.67 3.20 3.81 0.62 0.00 -1.26 -5.02 105.19 104.87 2o3o n GLY 154 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.07 3.23 0.40 1.61 3.76 0.10 -5.06 115.29 117.26 2o3o s HIS 155 Ca 0.00 0.07 -0.26 0.00 -0.15 0.00 0.00 55.06 54.72 2o3o s HIS 155 Cb 0.00 -1.61 -0.09 0.00 1.11 0.00 0.00 32.58 32.00 2o3o s HIS 155 CO 0.00 0.53 1.29 0.71 -0.85 0.00 0.00 174.74 176.42 2o3o s TYR 156 N -1.53 2.86 -0.72 1.40 4.12 -1.26 -0.18 117.35 122.03 2o3o s TYR 156 Ca 0.31 1.42 -0.18 0.00 0.02 0.00 0.00 57.07 58.64 2o3o s TYR 156 Cb -0.12 -3.65 0.13 0.00 -1.52 0.00 0.00 41.96 36.81 2o3o s TYR 156 CO 0.23 -2.00 0.84 0.42 0.02 0.00 0.00 175.55 175.06 2o3o s ILE 157 N -1.27 4.91 0.14 2.71 1.01 -0.74 -1.95 121.20 126.02 2o3o s ILE 157 Ca 0.56 -1.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 2o3o s ILE 157 Cb -0.37 -4.57 -0.08 0.00 0.01 0.00 0.00 42.46 37.44 2o3o s ILE 157 CO 0.48 -1.23 1.40 -0.31 0.00 0.00 0.00 174.94 175.28 2o3o s TYR 158 N 2.33 3.21 0.07 3.97 1.51 0.58 -4.69 117.35 124.33 2o3o s TYR 158 Ca 0.19 0.98 -0.01 0.00 -1.01 0.00 0.00 57.07 57.21 2o3o s TYR 158 Cb -0.16 -3.70 -0.04 0.00 -0.11 0.00 0.00 41.96 37.95 2o3o s TYR 158 CO -0.00 -2.41 -0.00 -0.65 -1.11 0.00 0.00 175.55 171.38 2o3o s GLN 159 N 0.78 0.69 0.42 -0.62 -0.21 -1.26 -4.42 119.66 115.04 2o3o s GLN 159 Ca 0.63 -1.27 -0.22 0.00 0.02 0.00 0.00 55.36 54.52 2o3o s GLN 159 Cb -0.38 0.22 -0.10 0.00 1.00 0.00 0.00 33.01 33.76 2o3o s GLN 159 CO 0.33 -0.15 1.00 0.15 -2.12 0.00 0.00 175.29 174.50 2o3o s LYS 160 N -3.95 4.16 -0.34 2.91 1.02 -1.26 -4.98 119.74 117.30 2o3o s LYS 160 Ca 0.11 1.32 0.06 0.00 0.02 0.00 0.00 55.97 57.49 2o3o s LYS 160 Cb 0.08 -2.36 0.46 0.00 -0.52 0.00 0.00 37.83 35.49 2o3o s LYS 160 CO -0.07 -0.12 1.32 0.25 -0.92 0.00 0.00 175.35 175.82 2o3o n THR 161 N -0.38 2.66 0.00 2.17 -2.24 -1.26 -4.85 114.28 110.38 2o3o n THR 161 Ca 0.06 -3.88 0.00 0.00 -2.27 0.00 0.00 64.05 57.96 2o3o n THR 161 Cb 0.52 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2o3o n THR 161 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2o3o n ASP 162 N -0.80 0.00 -2.16 3.42 9.92 -1.26 -5.08 116.55 120.60 2o3o n ASP 162 Ca 0.44 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.50 2o3o n ASP 162 Cb 0.91 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.40 2o3o n ASP 162 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2o3o n ASN 163 N 0.00 -1.89 0.16 -2.24 2.04 -1.26 -4.87 115.26 107.19 2o3o n ASN 163 Ca 0.00 0.33 0.12 0.00 -0.44 0.00 0.00 54.58 54.59 2o3o n ASN 163 Cb 0.00 -0.43 0.56 0.00 -2.53 0.00 0.00 39.78 37.38 2o3o n ASN 163 CO 0.00 0.00 0.00 -0.65 -0.44 0.00 0.00 177.26 176.17 2o3o h PRO 164 N -0.01 0.00 -0.54 -0.53 0.11 -1.97 -3.21 132.00 125.85 2o3o h PRO 164 Ca -0.21 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.01 2o3o h PRO 164 Cb 0.74 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.74 2o3o h PRO 164 CO 0.21 0.00 -0.18 0.77 -0.21 0.00 0.00 178.00 178.59 2o3o h SER 165 N 0.00 -0.66 -2.42 -2.05 0.02 -1.99 -3.44 113.55 103.01 2o3o h SER 165 Ca 0.00 0.18 -0.65 0.00 -0.84 0.00 0.00 61.79 60.47 2o3o h SER 165 Cb 0.24 0.39 -0.16 0.00 0.14 0.00 0.00 62.40 63.02 2o3o h SER 165 CO 0.00 -0.22 0.75 0.20 -1.14 0.00 0.00 176.83 176.42 2o3o s ASN 166 N -5.20 6.40 0.00 3.07 -0.87 -1.21 -5.10 114.94 112.04 2o3o s ASN 166 Ca -0.14 -1.50 0.00 0.00 -1.57 0.00 0.00 52.86 49.64 2o3o s ASN 166 Cb 0.17 -2.42 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 2o3o s ASN 166 CO 0.72 -1.28 0.00 2.30 -2.57 0.00 0.00 177.10 176.27 2o3o n ILE 168 N 5.81 0.00 -2.71 0.60 -5.35 -1.26 -4.44 119.36 112.01 2o3o n ILE 168 Ca 0.12 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.56 2o3o n ILE 168 Cb 0.47 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 -0.83 -1.76 0.00 0.00 176.55 173.96 2o3o s GLY 169 N 0.00 -1.67 0.17 3.28 0.00 -1.26 -4.17 107.32 103.67 2o3o s GLY 169 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.92 2o3o s GLY 169 CO 0.00 4.07 0.16 1.20 0.00 0.00 0.00 173.10 178.53 2o3o s GLN 170 N 0.96 1.10 -0.13 2.90 -0.21 -0.93 -1.42 119.66 121.93 2o3o s GLN 170 Ca 0.26 -1.43 -0.00 0.00 0.02 0.00 0.00 55.36 54.20 2o3o s GLN 170 Cb 0.08 0.29 0.03 0.00 1.00 0.00 0.00 33.01 34.42 2o3o s GLN 170 CO -0.09 -0.36 -0.07 0.08 -2.12 0.00 0.00 175.29 172.73 2o3o s VAL 171 N -4.06 1.07 -0.23 1.09 1.01 -0.80 -0.85 120.40 117.63 2o3o s VAL 171 Ca 0.27 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2o3o s VAL 171 Cb 0.06 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2o3o s VAL 171 CO 0.05 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.67 2o3o s VAL 172 N 1.68 2.96 0.31 2.92 1.01 -0.72 -0.52 120.40 128.04 2o3o s VAL 172 Ca 0.03 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2o3o s VAL 172 Cb -0.14 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 2o3o s VAL 172 CO -0.08 0.34 0.69 -0.76 0.00 0.00 0.00 175.10 175.29 2o3o s LEU 173 N 1.38 4.05 -0.02 3.92 1.43 -0.36 -0.97 118.68 128.11 2o3o s LEU 173 Ca 0.03 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.35 2o3o s LEU 173 Cb -0.15 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 2o3o s LEU 173 CO -0.05 -0.21 -0.22 -1.00 0.23 0.00 0.00 176.35 175.10 2o3o s HIS 174 N -2.02 2.01 0.06 0.29 3.76 -0.44 -2.57 115.29 116.38 2o3o s HIS 174 Ca 0.52 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 55.07 2o3o s HIS 174 Cb -0.10 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 2o3o s HIS 174 CO 0.21 -0.05 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.40 2o3o s LEU 175 N -0.47 2.25 -0.00 0.89 1.43 0.01 -1.10 118.68 121.67 2o3o s LEU 175 Ca 0.07 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2o3o s LEU 175 Cb -0.09 -0.53 -0.00 0.00 0.03 0.00 0.00 46.19 45.60 2o3o s LEU 175 CO -0.00 -0.05 0.08 0.21 0.23 0.00 0.00 176.35 176.82 2o3o s ASN 176 N -1.57 0.06 0.00 2.29 2.47 -1.06 -4.85 114.94 112.28 2o3o s ASN 176 Ca -0.01 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.07 2o3o s ASN 176 Cb -0.09 0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.88 2o3o s ASN 176 CO 0.02 -0.28 0.00 0.61 -3.72 0.00 0.00 177.10 173.73 2o3o n GLY 177 N 1.84 0.93 3.52 1.21 0.00 -1.26 -3.55 105.19 107.88 2o3o n GLY 177 Ca -0.21 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 2o3o n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o3o s LYS 178 N 0.00 4.00 -0.64 1.61 1.02 -1.26 -4.75 119.74 119.73 2o3o s LYS 178 Ca 0.00 -2.23 -0.15 0.00 0.02 0.00 0.00 55.97 53.62 2o3o s LYS 178 Cb 0.00 -5.28 0.02 0.00 -0.52 0.00 0.00 37.83 32.05 2o3o s LYS 178 CO 0.00 -2.01 0.38 0.09 -0.92 0.00 0.00 175.35 172.89 2o3o n ASN 179 N 7.05 -2.46 -4.45 2.83 3.02 -1.26 -4.75 115.26 115.24 2o3o n ASN 179 Ca 0.41 -0.70 -0.33 0.00 -0.03 0.00 0.00 54.58 53.93 2o3o n ASN 179 Cb 0.45 -0.91 -0.13 0.00 -0.61 0.00 0.00 39.78 38.58 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 -5.67 3.51 -0.09 3.52 2.02 -1.23 -2.45 118.70 118.30 2o3o s GLU 180 Ca 0.20 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 2o3o s GLU 180 Cb -0.11 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 2o3o s GLU 180 CO 0.55 0.26 0.99 0.08 0.02 0.00 0.00 175.26 177.16 2o3o s VAL 181 N 0.29 4.81 -0.05 2.63 1.01 -0.07 -2.56 120.40 126.45 2o3o s VAL 181 Ca -0.06 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.02 2o3o s VAL 181 Cb -0.15 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 2o3o s VAL 181 CO 0.04 0.04 0.09 0.52 0.00 0.00 0.00 175.10 175.79 2o3o n VAL 182 N 4.43 0.33 -3.84 2.92 0.31 -0.26 -0.46 118.33 121.75 2o3o n VAL 182 Ca 0.08 -0.28 -0.07 0.00 -0.01 0.00 0.00 64.34 64.05 2o3o n VAL 182 Cb 0.49 -0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 33.07 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 -3.59 -0.18 -0.04 4.52 1.04 -1.24 -1.71 113.70 112.50 2o3o s SER 183 Ca -0.04 -0.75 -0.20 0.00 0.48 0.00 0.00 55.95 55.44 2o3o s SER 183 Cb 0.04 0.75 0.04 0.00 0.10 0.00 0.00 66.02 66.95 2o3o s SER 183 CO 0.34 -1.42 0.44 -0.72 0.98 0.00 0.00 173.24 172.87 2o3o s TYR 184 N -3.41 -0.37 0.15 5.02 -0.85 -1.26 -1.33 117.35 115.31 2o3o s TYR 184 Ca 0.12 0.64 -0.06 0.00 -0.52 0.00 0.00 57.07 57.25 2o3o s TYR 184 Cb -0.05 0.20 -0.06 0.00 0.38 0.00 0.00 41.96 42.43 2o3o s TYR 184 CO 0.08 -0.44 0.41 -0.51 -1.52 0.00 0.00 175.55 173.57 2o3o s ASP 185 N -1.12 6.54 -0.09 -0.18 1.01 -0.14 -3.90 116.67 118.79 2o3o s ASP 185 Ca -0.11 0.68 -0.08 0.00 0.71 0.00 0.00 52.55 53.75 2o3o s ASP 185 Cb -0.03 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.79 2o3o s ASP 185 CO 0.06 0.05 0.23 -1.58 0.21 0.00 0.00 175.17 174.14 2o3o s GLN 186 N -2.57 0.27 0.03 8.23 0.74 -0.81 -1.76 119.66 123.78 2o3o s GLN 186 Ca 0.41 0.34 0.01 0.00 0.05 0.00 0.00 55.36 56.17 2o3o s GLN 186 Cb -0.12 0.11 -0.02 0.00 1.10 0.00 0.00 33.01 34.08 2o3o s GLN 186 CO 0.23 -0.04 -0.06 0.95 -0.55 0.00 0.00 175.29 175.82 2o3o s THR 187 N 0.21 0.38 -0.02 -0.34 -4.23 -0.03 -0.63 115.64 110.98 2o3o s THR 187 Ca -0.01 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2o3o s THR 187 Cb -0.02 -0.44 0.01 0.00 1.34 0.00 0.00 72.50 73.38 2o3o s THR 187 CO -0.00 -0.31 -0.03 -0.89 -0.54 0.00 0.00 174.62 172.84 2o3o s THR 188 N -1.12 0.36 0.17 3.99 2.01 -1.26 -2.20 115.64 117.59 2o3o s THR 188 Ca -0.09 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 2o3o s THR 188 Cb -0.08 -0.36 -0.07 0.00 0.01 0.00 0.00 72.50 71.99 2o3o s THR 188 CO -0.00 0.15 0.56 -0.76 -0.69 0.00 0.00 174.62 173.87 2o3o s LEU 189 N 0.44 4.29 0.26 4.42 1.43 -1.26 -1.00 118.68 127.25 2o3o s LEU 189 Ca -0.05 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2o3o s LEU 189 Cb -0.08 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2o3o s LEU 189 CO -0.00 0.05 0.16 -1.83 0.23 0.00 0.00 176.35 174.95 2o3o s GLU 190 N -2.21 1.42 -0.94 1.70 -1.05 0.08 -4.87 118.70 112.83 2o3o s GLU 190 Ca 0.41 -1.78 -0.06 0.00 -0.15 0.00 0.00 54.97 53.38 2o3o s GLU 190 Cb -0.14 0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.64 2o3o s GLU 190 CO 0.20 -0.44 0.80 2.41 0.95 0.00 0.00 175.26 179.18 2o3o n THR 191 N -0.43 -8.59 -2.70 1.83 -1.04 -1.26 -0.51 114.28 101.57 2o3o n THR 191 Ca 0.02 -0.81 -0.41 0.00 -2.04 0.00 0.00 64.05 60.81 2o3o n THR 191 Cb 0.65 -6.07 -0.05 0.00 -1.82 0.00 0.00 70.33 63.05 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 -3.24 3.80 -0.01 -1.42 0.40 -1.26 -4.05 117.98 112.20 2o3o s PHE 192 Ca 0.27 1.78 0.01 0.00 -0.60 0.00 0.00 56.93 58.39 2o3o s PHE 192 Cb -0.05 -3.08 0.01 0.00 0.51 0.00 0.00 43.02 40.41 2o3o s PHE 192 CO 0.78 0.11 -0.01 0.15 0.70 0.00 0.00 175.22 176.94 2o3o s LYS 193 N -0.18 0.23 -0.43 0.44 1.02 -0.69 -4.97 119.74 115.16 2o3o s LYS 193 Ca 0.47 -0.02 -0.24 0.00 0.02 0.00 0.00 55.97 56.19 2o3o s LYS 193 Cb -0.24 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.78 2o3o s LYS 193 CO 0.31 -0.02 0.85 -0.65 -0.92 0.00 0.00 175.35 174.92 2o3o s GLN 194 N 0.36 3.56 -0.01 1.68 -0.21 -1.26 -1.11 119.66 122.67 2o3o s GLN 194 Ca -0.03 0.14 0.20 0.00 0.02 0.00 0.00 55.36 55.69 2o3o s GLN 194 Cb -0.06 -3.90 -0.24 0.00 1.00 0.00 0.00 33.01 29.82 2o3o s GLN 194 CO -0.01 -1.09 0.54 0.44 -2.12 0.00 0.00 175.29 173.05 2o3o n ILE 195 N 6.17 0.57 -3.66 1.08 -5.35 -0.62 -4.91 119.36 112.63 2o3o n ILE 195 Ca 0.04 -0.61 -0.07 0.00 -0.27 0.00 0.00 62.75 61.84 2o3o n ILE 195 Cb 0.48 -0.27 -0.08 0.00 -1.74 0.00 0.00 39.64 38.03 2o3o n ILE 195 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2o3o s GLN 196 N -3.19 0.47 -0.03 6.28 0.74 -1.23 -5.01 119.66 117.69 2o3o s GLN 196 Ca -0.06 1.08 -0.17 0.00 0.05 0.00 0.00 55.36 56.25 2o3o s GLN 196 Cb 0.11 0.29 -0.05 0.00 1.10 0.00 0.00 33.01 34.45 2o3o s GLN 196 CO 0.86 -0.19 0.48 0.21 -0.55 0.00 0.00 175.29 176.10 2o3o s LYS 197 N 2.12 4.17 0.03 1.67 2.20 -1.26 -1.38 119.74 127.28 2o3o s LYS 197 Ca -0.06 0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 56.00 2o3o s LYS 197 Cb -0.10 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2o3o s LYS 197 CO -0.15 0.46 0.13 -1.21 -0.36 0.00 0.00 175.35 174.22 2o3o s GLU 198 N -0.39 0.58 0.26 4.03 2.02 -0.25 -4.98 118.70 119.98 2o3o s GLU 198 Ca 0.26 -0.63 -0.29 0.00 0.02 0.00 0.00 54.97 54.33 2o3o s GLU 198 Cb -0.17 0.24 -0.09 0.00 0.10 0.00 0.00 34.13 34.21 2o3o s GLU 198 CO 0.14 -0.15 1.14 0.45 0.02 0.00 0.00 175.26 176.86 2o3o s SER 199 N -1.91 7.17 0.32 -0.19 0.15 -1.26 -0.36 113.70 117.61 2o3o s SER 199 Ca -0.08 2.31 0.06 0.00 0.70 0.00 0.00 55.95 58.94 2o3o s SER 199 Cb -0.03 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2o3o s SER 199 CO -0.03 -0.24 0.43 -0.76 1.20 0.00 0.00 173.24 173.85 2o3o s LEU 200 N -1.19 4.00 0.49 3.45 1.43 -0.18 -3.17 118.68 123.51 2o3o s LEU 200 Ca 0.47 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 2o3o s LEU 200 Cb -0.33 -2.72 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 2o3o s LEU 200 CO 0.41 -0.36 0.88 0.27 0.23 0.00 0.00 176.35 177.78 2o3o s ILE 201 N -2.15 4.72 0.58 -0.59 -4.36 -0.43 -4.30 121.20 114.68 2o3o s ILE 201 Ca 0.43 0.76 -0.13 0.00 -0.26 0.00 0.00 60.65 61.45 2o3o s ILE 201 Cb -0.09 -3.78 -0.05 0.00 1.25 0.00 0.00 42.46 39.79 2o3o s ILE 201 CO 0.30 -0.73 1.01 0.42 0.24 0.00 0.00 174.94 176.18 2o3o s THR 202 N -2.65 4.65 -0.44 8.37 -4.23 -1.26 -4.79 115.64 115.30 2o3o s THR 202 Ca 0.53 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 2o3o s THR 202 Cb -0.10 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2o3o s THR 202 CO 0.38 -1.00 0.00 -0.62 -0.54 0.00 0.00 174.62 172.84 2o3o n GLU 203 N -2.37 0.00 0.00 3.99 1.02 -1.01 -0.83 120.64 121.44 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 0.54 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 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 0.52 0.00 -0.14 1.62 8.00 -1.26 -2.57 116.55 122.72 2o3o n ASP 205 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2o3o n ASP 205 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.53 -0.54 2.24 0.00 -1.31 0.31 119.26 120.49 2o3o h ALA 206 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 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 0.27 -0.07 0.28 0.00 0.00 0.00 179.25 179.73 2o3o h VAL 207 N 0.52 1.26 -0.76 0.00 2.07 -1.77 -1.94 116.25 115.63 2o3o h VAL 207 Ca 0.12 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.50 2o3o h VAL 207 Cb 0.41 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2o3o h VAL 207 CO 0.01 0.43 0.50 -0.33 0.02 0.00 0.00 177.57 178.20 2o3o h GLU 208 N 0.89 0.75 -0.48 1.57 5.08 -1.73 -1.68 114.58 118.97 2o3o h GLU 208 Ca 0.15 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2o3o h GLU 208 Cb 0.62 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2o3o h GLU 208 CO 0.04 0.50 0.04 1.25 -1.00 0.00 0.00 179.01 179.83 2o3o h LEU 209 N 0.77 0.80 -0.26 1.33 5.85 -0.20 -0.46 115.31 123.14 2o3o h LEU 209 Ca 0.34 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2o3o h LEU 209 Cb 0.31 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2o3o h LEU 209 CO -0.12 0.89 0.16 -0.07 -0.34 0.00 0.00 178.44 178.96 2o3o h LEU 210 N 0.69 0.32 -0.39 2.25 3.38 -0.88 -2.10 115.31 118.58 2o3o h LEU 210 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2o3o h LEU 210 Cb 0.46 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2o3o h LEU 210 CO 0.02 0.27 0.25 0.22 0.09 0.00 0.00 178.44 179.30 2o3o h TYR 211 N 0.33 0.49 -0.90 1.13 3.20 -0.93 -2.04 116.97 118.24 2o3o h TYR 211 Ca 0.09 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2o3o h TYR 211 Cb 0.02 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.06 2o3o h TYR 211 CO -0.04 0.31 0.58 -0.92 -1.64 0.00 0.00 178.16 176.44 2o3o h TYR 212 N 0.52 0.96 -0.51 -3.82 3.20 -0.93 -1.68 116.97 114.71 2o3o h TYR 212 Ca 0.14 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.81 2o3o h TYR 212 Cb -0.06 -0.31 -0.14 0.00 1.54 0.00 0.00 36.73 37.76 2o3o h TYR 212 CO -0.05 0.44 0.29 1.04 -1.64 0.00 0.00 178.16 178.24 2o3o n GLN 213 N -4.53 1.99 -3.92 1.82 6.02 -0.80 -4.89 117.38 113.06 2o3o n GLN 213 Ca 0.15 -1.68 -0.27 0.00 -0.01 0.00 0.00 57.00 55.20 2o3o n GLN 213 Cb 0.31 -1.71 -0.00 0.00 1.02 0.00 0.00 30.24 29.86 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 -0.26 -1.59 -0.02 1.08 2.85 -0.63 -4.87 115.26 111.82 2o3o n ASN 214 Ca 0.30 -0.93 0.03 0.00 -0.11 0.00 0.00 54.58 53.87 2o3o n ASN 214 Cb 1.08 -3.38 -0.11 0.00 1.24 0.00 0.00 39.78 38.61 2o3o n ASN 214 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2o3o n GLN 215 N -4.41 0.82 -3.63 1.20 1.13 -1.02 -4.98 117.38 106.49 2o3o n GLN 215 Ca -0.20 -0.09 -0.37 0.00 -1.94 0.00 0.00 57.00 54.39 2o3o n GLN 215 Cb 0.63 -1.33 -0.06 0.00 0.11 0.00 0.00 30.24 29.59 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 -4.24 4.35 0.24 1.08 1.43 -1.26 -5.03 118.68 115.26 2o3o s LEU 216 Ca -0.05 0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 2o3o s LEU 216 Cb 0.08 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 2o3o s LEU 216 CO 0.57 0.25 0.52 -0.54 0.23 0.00 0.00 176.35 177.38 2o3o s LYS 217 N -0.39 3.68 0.68 1.70 1.02 -1.26 -5.02 119.74 120.15 2o3o s LYS 217 Ca 0.18 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 56.06 2o3o s LYS 217 Cb -0.14 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2o3o s LYS 217 CO 0.06 0.29 0.99 0.39 -0.92 0.00 0.00 175.35 176.17 2o3o n GLU 218 N -0.50 0.66 -2.27 1.68 1.02 -1.26 -2.81 120.64 117.16 2o3o n GLU 218 Ca -0.01 0.28 -0.21 0.00 -0.02 0.00 0.00 57.16 57.20 2o3o n GLU 218 Cb 0.53 -2.23 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.25 -0.83 -3.88 -0.32 4.02 -0.59 -4.97 117.16 108.33 2o3o n TYR 219 Ca 0.14 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.72 2o3o n TYR 219 Cb 0.49 -3.89 -0.04 0.00 -0.02 0.00 0.00 39.34 35.87 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 -2.17 6.38 -0.12 7.72 1.04 -1.12 -4.72 113.70 120.70 2o3o s SER 220 Ca 0.00 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 2o3o s SER 220 Cb 0.00 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 2o3o s SER 220 CO 0.00 0.15 -0.06 -0.89 0.98 0.00 0.00 173.24 173.41 2o3o s THR 221 N -1.54 3.70 -0.65 2.02 2.01 -0.14 -1.90 115.64 119.14 2o3o s THR 221 Ca 0.36 -0.45 -0.24 0.00 0.31 0.00 0.00 61.69 61.67 2o3o s THR 221 Cb -0.13 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.87 2o3o s THR 221 CO 0.28 0.54 1.03 -0.69 -0.69 0.00 0.00 174.62 175.09 2o3o s VAL 222 N -0.13 4.21 0.10 3.82 1.01 0.16 -0.88 120.40 128.69 2o3o s VAL 222 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 2o3o s VAL 222 Cb -0.13 -4.70 -0.16 0.00 0.00 0.00 0.00 36.38 31.39 2o3o s VAL 222 CO 0.03 -1.46 1.31 0.11 0.00 0.00 0.00 175.10 175.08 2o3o h LYS 223 N 9.60 0.79 -2.67 2.72 1.79 -1.09 -3.41 116.57 124.31 2o3o h LYS 223 Ca -0.28 -0.65 -0.06 0.00 -2.18 0.00 0.00 60.65 57.48 2o3o h LYS 223 Cb 1.07 0.14 -0.17 0.00 -1.58 0.00 0.00 32.23 31.69 2o3o h LYS 223 CO 1.18 1.26 0.05 -1.54 -1.08 0.00 0.00 179.45 179.32 2o3o s SER 224 N -7.11 -0.47 -0.37 0.86 1.04 -1.10 -4.98 113.70 101.57 2o3o s SER 224 Ca -0.10 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.59 2o3o s SER 224 Cb 0.09 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.82 2o3o s SER 224 CO 0.91 -0.70 0.16 0.00 0.98 0.00 0.00 173.24 174.59 2o3o s LYS 226 N 1.00 2.95 0.02 0.00 -0.14 -0.84 -4.90 119.74 117.82 2o3o s LYS 226 Ca 0.14 -0.71 -0.03 0.00 -1.36 0.00 0.00 55.97 54.01 2o3o s LYS 226 Cb -0.21 -2.74 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 2o3o s LYS 226 CO -0.12 0.55 0.21 0.12 -0.76 0.00 0.00 175.35 175.36 2o3o s PHE 227 N -1.49 3.54 0.00 3.18 2.19 -1.26 -0.17 117.98 123.97 2o3o s PHE 227 Ca 0.30 0.38 0.00 0.00 0.33 0.00 0.00 56.93 57.94 2o3o s PHE 227 Cb -0.12 -1.85 0.00 0.00 -1.31 0.00 0.00 43.02 39.74 2o3o s PHE 227 CO 0.23 0.62 0.00 0.41 1.83 0.00 0.00 175.22 178.31 2o3o n GLY 228 N 0.78 1.81 3.17 13.12 0.00 -0.39 -4.39 105.19 119.29 2o3o n GLY 228 Ca -0.09 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.62 0.92 -0.00 1.61 1.51 -0.82 -1.04 117.35 116.91 2o3o s TYR 229 Ca 0.00 -0.88 -0.00 0.00 -1.01 0.00 0.00 57.07 55.18 2o3o s TYR 229 Cb 0.00 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.33 2o3o s TYR 229 CO 0.00 -0.12 0.01 0.14 -1.11 0.00 0.00 175.55 174.46 2o3o s VAL 230 N -3.47 0.00 0.05 0.71 -7.23 -0.31 -0.31 120.40 109.84 2o3o s VAL 230 Ca 0.11 -0.02 -0.32 0.00 -1.81 0.00 0.00 61.98 59.94 2o3o s VAL 230 Cb 0.04 -0.02 -0.11 0.00 0.56 0.00 0.00 36.38 36.85 2o3o s VAL 230 CO -0.04 -0.01 1.86 0.00 -0.31 0.00 0.00 175.10 176.60 2o3o n ALA 231 N 3.04 1.57 0.08 1.32 0.00 -1.26 -1.71 120.51 123.55 2o3o n ALA 231 Ca -0.12 0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2o3o n ALA 231 Cb 0.60 -2.56 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 2o3o n ALA 231 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2o3o h GLN 232 N 8.99 0.43 0.00 0.00 4.15 -1.10 -3.47 115.11 124.10 2o3o h GLN 232 Ca -0.48 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 58.26 2o3o h GLN 232 Cb 1.24 0.25 0.00 0.00 0.21 0.00 0.00 27.48 29.18 2o3o h GLN 232 CO 0.94 1.31 0.00 2.48 -1.93 0.00 0.00 178.83 181.63 2o3o n TYR 233 N -3.97 0.00 -2.92 3.99 0.18 -1.26 -5.08 117.16 108.11 2o3o n TYR 233 Ca -0.15 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.45 2o3o n TYR 233 Cb 0.92 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.90 2o3o n TYR 233 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 2o3o s PRO 234 N -2.00 2.73 -0.31 -3.48 0.04 -1.26 -3.73 135.00 126.99 2o3o s PRO 234 Ca 0.00 -1.15 -0.08 0.00 0.04 0.00 0.00 61.00 59.81 2o3o s PRO 234 Cb 0.00 -2.69 0.19 0.00 0.04 0.00 0.00 34.50 32.04 2o3o s PRO 234 CO 0.00 -0.41 0.99 -0.51 0.04 0.00 0.00 177.00 177.10 2o3o s LEU 235 N -4.47 -0.56 0.00 -3.56 1.43 -1.01 -4.97 118.68 105.54 2o3o s LEU 235 Ca 0.56 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2o3o s LEU 235 Cb -0.10 1.19 0.00 0.00 0.03 0.00 0.00 46.19 47.31 2o3o s LEU 235 CO 0.35 -0.09 0.00 0.41 0.23 0.00 0.00 176.35 177.24 2o3o n THR 236 N 4.81 0.00 -0.30 5.49 -1.04 -1.26 -1.72 114.28 120.26 2o3o n THR 236 Ca 0.08 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.22 2o3o n THR 236 Cb 0.59 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.40 2o3o n THR 236 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2o3o h SER 237 N 3.63 0.26 -1.30 8.00 0.87 -1.97 -3.42 113.55 119.63 2o3o h SER 237 Ca 0.00 0.16 -0.51 0.00 -1.23 0.00 0.00 61.79 60.21 2o3o h SER 237 Cb 0.00 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2o3o h SER 237 CO 0.00 -0.04 1.61 0.41 -0.53 0.00 0.00 176.83 178.29 2o3o n THR 238 N -5.08 0.02 -3.25 2.23 -1.04 -0.70 -3.81 114.28 102.64 2o3o n THR 238 Ca 0.22 -0.55 -0.39 0.00 -2.04 0.00 0.00 64.05 61.29 2o3o n THR 238 Cb 0.66 -2.23 -0.06 0.00 -1.82 0.00 0.00 70.33 66.89 2o3o n THR 238 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2o3o s GLN 239 N 7.90 4.30 -0.38 -2.82 -1.52 -0.67 -2.40 119.66 124.08 2o3o s GLN 239 Ca 1.07 0.63 -0.14 0.00 -1.95 0.00 0.00 55.36 54.97 2o3o s GLN 239 Cb -0.47 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 28.95 2o3o s GLN 239 CO 0.34 0.31 0.28 0.08 -0.25 0.00 0.00 175.29 176.05 2o3o s VAL 240 N 0.05 5.27 0.01 1.09 1.01 -1.24 -1.68 120.40 124.90 2o3o s VAL 240 Ca 0.29 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 2o3o s VAL 240 Cb -0.17 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2o3o s VAL 240 CO 0.15 -0.19 0.32 -0.76 0.00 0.00 0.00 175.10 174.62 2o3o s LEU 241 N 1.71 4.39 0.11 3.92 1.43 0.80 -0.44 118.68 130.60 2o3o s LEU 241 Ca 0.06 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 53.92 2o3o s LEU 241 Cb -0.18 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2o3o s LEU 241 CO 0.10 0.26 -0.18 0.00 0.23 0.00 0.00 176.35 176.76 2o3o s ALA 242 N -1.26 1.66 0.35 4.21 0.00 -0.69 -1.60 121.76 124.43 2o3o s ALA 242 Ca 0.27 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 2o3o s ALA 242 Cb -0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 2o3o s ALA 242 CO 0.15 0.27 1.12 -1.25 0.00 0.00 0.00 175.76 176.05 2o3o s PRO 243 N -2.11 4.34 0.05 0.00 0.04 -1.26 -1.16 135.00 134.90 2o3o s PRO 243 Ca 0.06 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 2o3o s PRO 243 Cb -0.09 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 2o3o s PRO 243 CO 0.04 -0.05 0.12 0.14 0.04 0.00 0.00 177.00 177.29 2o3o s VAL 244 N -1.35 0.14 -0.18 -0.36 -7.23 -0.21 -0.93 120.40 110.30 2o3o s VAL 244 Ca 0.51 -1.19 -0.10 0.00 -1.81 0.00 0.00 61.98 59.39 2o3o s VAL 244 Cb -0.30 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 2o3o s VAL 244 CO 0.38 -0.66 0.17 0.26 -0.31 0.00 0.00 175.10 174.94 2o3o s TRP 245 N -3.16 3.46 -0.45 2.82 0.52 0.72 -1.27 118.94 121.58 2o3o s TRP 245 Ca -0.00 0.42 -0.10 0.00 0.02 0.00 0.00 56.10 56.44 2o3o s TRP 245 Cb 0.02 -2.16 0.10 0.00 -1.15 0.00 0.00 33.47 30.28 2o3o s TRP 245 CO -0.07 0.36 0.31 0.50 0.02 0.00 0.00 176.95 178.07 2o3o s ARG 246 N 0.13 2.57 -0.27 4.98 3.00 0.76 -0.80 118.95 129.33 2o3o s ARG 246 Ca 0.11 -1.61 -0.10 0.00 -1.00 0.00 0.00 55.73 53.13 2o3o s ARG 246 Cb -0.12 -3.88 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 2o3o s ARG 246 CO 0.00 -1.08 0.16 0.42 0.00 0.00 0.00 175.30 174.80 2o3o s ILE 247 N 1.41 5.16 -0.18 4.11 1.01 0.10 -1.99 121.20 130.82 2o3o s ILE 247 Ca 0.04 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 2o3o s ILE 247 Cb -0.25 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2o3o s ILE 247 CO 0.01 0.29 0.42 -0.89 0.00 0.00 0.00 174.94 174.77 2o3o s THR 248 N 1.57 5.20 0.09 2.92 2.01 -0.19 -0.66 115.64 126.58 2o3o s THR 248 Ca 0.07 0.79 0.10 0.00 0.31 0.00 0.00 61.69 62.95 2o3o s THR 248 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2o3o s THR 248 CO 0.08 0.28 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.34 2o3o s VAL 249 N 1.08 2.16 0.02 3.82 1.01 0.12 -0.46 120.40 128.15 2o3o s VAL 249 Ca 0.21 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 2o3o s VAL 249 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2o3o s VAL 249 CO 0.08 0.20 0.00 -1.83 0.00 0.00 0.00 175.10 173.56 2o3o s GLU 250 N -1.67 0.34 0.34 2.72 -1.05 -0.06 -0.00 118.70 119.32 2o3o s GLU 250 Ca 0.12 -0.57 -0.06 0.00 -0.15 0.00 0.00 54.97 54.32 2o3o s GLU 250 Cb -0.10 0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.74 2o3o s GLU 250 CO 0.04 -0.06 0.55 2.48 0.95 0.00 0.00 175.26 179.22 2o3o n TYR 251 N 1.57 -1.70 -4.04 4.83 0.18 -0.81 -0.97 117.16 116.23 2o3o n TYR 251 Ca -0.24 -2.05 -0.32 0.00 1.88 0.00 0.00 57.90 57.17 2o3o n TYR 251 Cb 0.55 0.64 -0.06 0.00 -0.38 0.00 0.00 39.34 40.09 2o3o n TYR 251 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2o3o s GLU 252 N -2.52 3.15 -0.01 -3.48 0.41 -1.26 -0.31 118.70 114.68 2o3o s GLU 252 Ca 0.23 -0.48 -0.00 0.00 -0.41 0.00 0.00 54.97 54.31 2o3o s GLU 252 Cb -0.02 -2.90 -0.00 0.00 -1.78 0.00 0.00 34.13 29.42 2o3o s GLU 252 CO 0.17 0.64 -0.00 -0.22 -0.49 0.00 0.00 175.26 175.35 2o3o h LYS 253 N 3.83 0.00 0.00 1.61 3.11 -2.03 -3.47 116.57 119.63 2o3o h LYS 253 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2o3o h LYS 253 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2o3o h LYS 253 CO 0.65 0.00 -0.67 1.63 -2.81 0.00 0.00 179.45 178.25 2o3o n LYS 260 N -2.22 0.00 -2.66 1.90 4.01 -1.26 -5.11 118.16 112.83 2o3o n LYS 260 Ca -0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 2o3o n LYS 260 Cb 0.00 -0.57 -0.03 0.00 -0.51 0.00 0.00 35.03 33.92 2o3o n LYS 260 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2o3o s THR 261 N -1.84 4.06 0.45 -0.18 2.01 -1.26 -4.93 115.64 113.94 2o3o s THR 261 Ca 0.00 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 2o3o s THR 261 Cb 0.00 -4.94 -0.05 0.00 0.01 0.00 0.00 72.50 67.52 2o3o s THR 261 CO 0.00 -1.79 0.79 -0.69 -0.69 0.00 0.00 174.62 172.24 2o3o s VAL 262 N 4.64 4.84 0.11 3.82 1.01 0.58 -4.91 120.40 130.49 2o3o s VAL 262 Ca 0.38 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2o3o s VAL 262 Cb -0.05 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2o3o s VAL 262 CO -0.02 -0.69 -0.18 -1.10 0.00 0.00 0.00 175.10 173.10 2o3o s GLN 263 N -4.30 1.08 -0.01 2.72 -0.21 -1.26 -1.92 119.66 115.76 2o3o s GLN 263 Ca 0.50 -1.18 0.02 0.00 0.02 0.00 0.00 55.36 54.71 2o3o s GLN 263 Cb -0.10 -1.21 -0.00 0.00 1.00 0.00 0.00 33.01 32.69 2o3o s GLN 263 CO 0.38 0.27 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.56 2o3o s GLU 264 N -2.15 0.51 -0.14 2.91 2.02 0.99 -4.98 118.70 117.86 2o3o s GLU 264 Ca 0.07 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.87 2o3o s GLU 264 Cb -0.08 -0.51 -0.01 0.00 0.10 0.00 0.00 34.13 33.63 2o3o s GLU 264 CO 0.04 0.10 -0.15 0.71 0.02 0.00 0.00 175.26 175.98 2o3o s TYR 265 N 0.02 2.78 -0.05 1.61 1.51 -1.26 -0.70 117.35 121.25 2o3o s TYR 265 Ca 0.00 -0.90 0.06 0.00 -1.01 0.00 0.00 57.07 55.23 2o3o s TYR 265 Cb -0.04 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 2o3o s TYR 265 CO -0.00 -0.38 -0.24 -0.06 -1.11 0.00 0.00 175.55 173.75 2o3o s PHE 266 N 0.65 2.35 -0.21 2.71 0.40 0.16 -4.98 117.98 119.06 2o3o s PHE 266 Ca -0.08 -0.65 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 2o3o s PHE 266 Cb -0.16 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 2o3o s PHE 266 CO 0.02 -0.18 0.03 0.99 0.70 0.00 0.00 175.22 176.78 2o3o s THR 267 N -0.23 4.20 -0.04 0.64 2.01 -1.26 0.01 115.64 120.97 2o3o s THR 267 Ca -0.01 -0.23 0.06 0.00 0.31 0.00 0.00 61.69 61.82 2o3o s THR 267 Cb -0.13 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 2o3o s THR 267 CO 0.03 0.41 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.46 2o3o s VAL 268 N 1.03 1.76 0.14 3.82 1.01 0.02 -4.97 120.40 123.21 2o3o s VAL 268 Ca 0.03 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.78 2o3o s VAL 268 Cb -0.14 -1.49 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 2o3o s VAL 268 CO 0.02 0.50 1.31 0.21 0.00 0.00 0.00 175.10 177.14 2o3o s ASN 269 N -0.23 6.91 0.22 3.32 3.84 -1.26 -0.20 114.94 127.54 2o3o s ASN 269 Ca 0.01 2.30 0.24 0.00 0.21 0.00 0.00 52.86 55.61 2o3o s ASN 269 Cb -0.11 -2.60 0.30 0.00 -0.55 0.00 0.00 41.25 38.29 2o3o s ASN 269 CO 0.02 -0.55 1.35 0.00 -2.79 0.00 0.00 177.10 175.13 2o3o h ALA 270 N 6.13 0.70 -2.10 1.71 0.00 -1.35 -3.45 119.26 120.90 2o3o h ALA 270 Ca -0.43 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.91 2o3o h ALA 270 Cb 1.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2o3o h ALA 270 CO 0.81 0.00 0.91 -0.51 0.00 0.00 0.00 179.25 180.46 2o3o s LEU 271 N -5.01 4.10 -0.59 0.00 1.43 -1.26 -1.31 118.68 116.04 2o3o s LEU 271 Ca 0.05 1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 54.41 2o3o s LEU 271 Cb 0.10 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.81 2o3o s LEU 271 CO 0.72 -0.82 1.29 -0.70 0.23 0.00 0.00 176.35 177.06 2o3o s GLU 272 N 3.62 3.40 -0.40 1.70 2.12 -1.19 -4.86 118.70 123.08 2o3o s GLU 272 Ca 0.54 0.28 0.11 0.00 0.36 0.00 0.00 54.97 56.26 2o3o s GLU 272 Cb -0.20 -4.08 0.37 0.00 0.26 0.00 0.00 34.13 30.48 2o3o s GLU 272 CO 0.15 -1.83 1.00 -1.13 -0.54 0.00 0.00 175.26 172.91 2o3o n SER 273 N 9.00 -0.55 -0.04 -1.70 3.41 -1.26 -4.82 113.62 117.64 2o3o n SER 273 Ca 0.10 -3.09 -0.03 0.00 -0.26 0.00 0.00 58.87 55.58 2o3o n SER 273 Cb 0.49 0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 2o3o n SER 273 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2o3o h THR 274 N 2.16 0.34 -3.79 6.66 1.35 -2.03 -3.45 112.91 114.16 2o3o h THR 274 Ca -0.06 -1.23 -0.65 0.00 -0.55 0.00 0.00 66.41 63.92 2o3o h THR 274 Cb 1.10 0.63 -0.19 0.00 -1.73 0.00 0.00 68.15 67.96 2o3o h THR 274 CO 0.28 0.11 -0.55 -0.63 -0.25 0.00 0.00 175.52 174.48 2o3o s ILE 275 N -1.75 4.94 -2.69 6.82 1.01 -1.26 -5.35 121.20 122.92 2o3o s ILE 275 Ca -0.04 -0.02 0.22 0.00 0.00 0.00 0.00 60.65 60.81 2o3o s ILE 275 Cb -0.01 -3.37 0.17 0.00 0.01 0.00 0.00 42.46 39.26 2o3o s ILE 275 CO 0.14 0.24 1.18 0.18 0.00 0.00 0.00 174.94 176.68