#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 2.25 -0.33 -1.58 4.07 -1.26 -4.56 120.64 119.24 2o3o n GLU 35 Ca 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.27 2o3o n GLU 35 Cb 0.00 -0.77 0.37 0.00 -0.06 0.00 0.00 31.44 30.98 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 0.85 -0.31 4.31 -0.00 -2.05 -2.00 116.97 117.78 2o3o h TYR 36 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 58.73 58.73 2o3o h TYR 36 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 36.73 36.96 2o3o h TYR 36 CO 0.00 -0.02 0.05 1.49 -0.00 0.00 0.00 178.16 179.68 2o3o h GLU 37 N 0.47 0.51 -0.85 0.10 4.57 -1.99 0.32 114.58 117.71 2o3o h GLU 37 Ca 0.62 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 58.75 2o3o h GLU 37 Cb 1.23 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 2o3o h GLU 37 CO -0.52 0.60 0.51 0.28 -1.18 0.00 0.00 179.01 178.70 2o3o h VAL 38 N 0.33 0.96 0.08 0.32 2.07 -1.63 -2.28 116.25 116.11 2o3o h VAL 38 Ca 0.09 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2o3o h VAL 38 Cb 0.34 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2o3o h VAL 38 CO 0.01 0.16 -0.04 0.40 0.02 0.00 0.00 177.57 178.12 2o3o h ILE 39 N 0.88 1.13 -0.95 4.57 1.08 -1.19 -2.08 117.51 120.94 2o3o h ILE 39 Ca 0.40 -1.46 0.25 0.00 -0.39 0.00 0.00 64.86 63.66 2o3o h ILE 39 Cb 0.30 1.97 -0.17 0.00 -3.07 0.00 0.00 36.82 35.84 2o3o h ILE 39 CO -0.22 0.32 0.04 0.11 -0.69 0.00 0.00 178.15 177.71 2o3o h LYS 40 N -0.85 0.04 -0.01 2.37 1.57 -0.16 0.37 116.57 119.90 2o3o h LYS 40 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2o3o h LYS 40 Cb 0.61 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2o3o h LYS 40 CO 0.02 0.02 -0.35 0.27 -0.57 0.00 0.00 179.45 178.84 2o3o n ASN 41 N -5.45 1.36 -0.07 0.86 0.23 -0.87 -0.73 115.26 110.58 2o3o n ASN 41 Ca 0.22 -1.10 -0.12 0.00 -0.53 0.00 0.00 54.58 53.04 2o3o n ASN 41 Cb 0.71 0.27 -0.05 0.00 -2.08 0.00 0.00 39.78 38.63 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 1.59 0.49 -0.58 0.53 3.32 0.27 -2.00 116.42 120.03 2o3o h ASP 42 Ca 0.00 -0.43 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 2o3o h ASP 42 Cb 0.59 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2o3o h ASP 42 CO 0.00 0.81 0.06 0.58 -1.72 0.00 0.00 179.24 178.97 2o3o h VAL 43 N 0.17 1.26 0.15 -1.35 2.07 -0.36 -1.19 116.25 117.00 2o3o h VAL 43 Ca 0.05 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.53 2o3o h VAL 43 Cb 0.63 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2o3o h VAL 43 CO 0.04 0.39 -0.37 -0.08 0.02 0.00 0.00 177.57 177.57 2o3o h GLU 44 N 0.95 -0.59 -0.27 1.57 4.57 -0.96 -3.08 114.58 116.76 2o3o h GLU 44 Ca 0.18 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 2o3o h GLU 44 Cb 0.47 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 2o3o h GLU 44 CO 0.02 -0.40 -0.08 0.45 -1.18 0.00 0.00 179.01 177.82 2o3o h HIS 45 N -0.62 -0.18 0.00 0.92 3.86 -1.12 -1.80 115.15 116.21 2o3o h HIS 45 Ca 0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2o3o h HIS 45 Cb 0.63 0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2o3o h HIS 45 CO -0.31 -0.14 0.00 -0.25 0.86 0.00 0.00 177.93 178.09 2o3o n ASP 46 N -5.25 0.00 0.00 2.45 10.43 -0.47 -0.79 116.55 122.92 2o3o n ASP 46 Ca -0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.35 2o3o n ASP 46 Cb 0.17 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.13 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 0.63 0.00 0.22 -1.24 3.00 -0.68 -0.83 118.16 119.26 2o3o n LYS 48 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 2o3o n LYS 48 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 35.03 35.53 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 1.15 -0.43 3.14 0.00 -1.22 -2.11 119.26 119.79 2o3o h ALA 49 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2o3o h ALA 49 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2o3o h ALA 49 CO 0.00 0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 2o3o n ASP 50 N -3.61 3.04 -2.75 0.00 8.00 -0.01 -4.94 116.55 116.29 2o3o n ASP 50 Ca -0.01 -2.21 -0.21 0.00 0.71 0.00 0.00 54.79 53.07 2o3o n ASP 50 Cb 0.38 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.70 -1.53 -3.07 1.24 8.25 -0.79 -0.35 115.22 119.66 2o3o n HIS 51 Ca 0.16 0.27 -0.40 0.00 -0.26 0.00 0.00 57.72 57.50 2o3o n HIS 51 Cb 0.56 -4.09 -0.05 0.00 1.12 0.00 0.00 29.99 27.53 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 -3.07 5.05 -0.11 1.59 1.01 -1.26 -4.00 121.20 120.41 2o3o s ILE 52 Ca 0.16 1.40 -0.03 0.00 0.00 0.00 0.00 60.65 62.18 2o3o s ILE 52 Cb -0.07 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2o3o s ILE 52 CO 0.20 0.24 0.02 -0.89 0.00 0.00 0.00 174.94 174.51 2o3o s THR 53 N 0.88 4.41 -0.08 2.92 2.01 -0.97 -4.64 115.64 120.17 2o3o s THR 53 Ca 0.36 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 2o3o s THR 53 Cb -0.17 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.48 2o3o s THR 53 CO 0.17 0.57 0.20 -0.72 -0.69 0.00 0.00 174.62 174.16 2o3o s TYR 54 N -0.58 -0.24 -0.23 4.92 -0.85 -1.26 -1.36 117.35 117.75 2o3o s TYR 54 Ca 0.10 0.59 -0.19 0.00 -0.52 0.00 0.00 57.07 57.05 2o3o s TYR 54 Cb -0.12 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.33 2o3o s TYR 54 CO 0.02 -0.14 0.60 -2.00 -1.52 0.00 0.00 175.55 172.50 2o3o s GLU 55 N 0.53 0.67 0.00 -3.49 2.56 -1.26 -4.93 118.70 112.79 2o3o s GLU 55 Ca -0.04 0.89 0.00 0.00 0.00 0.00 0.00 54.97 55.83 2o3o s GLU 55 Cb -0.05 0.28 0.00 0.00 2.00 0.00 0.00 34.13 36.36 2o3o s GLU 55 CO -0.03 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 174.98 2o3o n GLY 56 N 3.14 0.37 3.61 -1.50 0.00 -1.26 -4.99 105.19 104.57 2o3o n GLY 56 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 3.64 -0.19 0.99 1.43 -1.26 -4.88 118.68 118.41 2o3o s LEU 57 Ca 0.00 1.77 -0.32 0.00 -1.03 0.00 0.00 54.13 54.55 2o3o s LEU 57 Cb 0.00 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.61 2o3o s LEU 57 CO 0.00 -1.67 2.08 -3.20 0.23 0.00 0.00 176.35 173.79 2o3o n ASN 58 N 10.30 3.12 -0.43 2.29 5.15 -1.26 -4.87 115.26 129.55 2o3o n ASN 58 Ca 0.25 0.57 0.14 0.00 -0.60 0.00 0.00 54.58 54.93 2o3o n ASN 58 Cb 0.45 -1.42 0.55 0.00 -0.53 0.00 0.00 39.78 38.83 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 7.83 1.59 -3.67 1.20 5.02 -1.26 -2.61 118.16 126.26 2o3o n LYS 59 Ca 0.30 -0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 55.35 2o3o n LYS 59 Cb 0.34 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.97 3.62 0.49 1.97 0.41 -1.26 -4.91 118.70 117.06 2o3o s GLU 60 Ca 0.38 -0.52 -0.23 0.00 -0.41 0.00 0.00 54.97 54.19 2o3o s GLU 60 Cb 0.20 -3.50 -0.06 0.00 -1.78 0.00 0.00 34.13 28.99 2o3o s GLU 60 CO 0.32 -0.27 1.25 0.00 -0.49 0.00 0.00 175.26 176.08 2o3o s ALA 61 N 1.65 2.92 0.41 5.21 0.00 -1.26 -4.92 121.76 125.77 2o3o s ALA 61 Ca 0.06 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.18 2o3o s ALA 61 Cb -0.16 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 2o3o s ALA 61 CO 0.07 -0.97 0.04 0.95 0.00 0.00 0.00 175.76 175.84 2o3o s THR 62 N -1.43 1.44 0.58 0.00 -4.23 -1.26 -5.01 115.64 105.73 2o3o s THR 62 Ca 0.67 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.11 2o3o s THR 62 Cb -0.34 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 2o3o s THR 62 CO 0.41 0.00 0.90 -1.61 -0.54 0.00 0.00 174.62 173.78 2o3o s GLU 63 N -3.80 3.13 0.12 3.99 0.41 -1.26 -1.41 118.70 119.88 2o3o s GLU 63 Ca 0.28 0.15 -0.25 0.00 -0.41 0.00 0.00 54.97 54.75 2o3o s GLU 63 Cb 0.07 -2.26 0.08 0.00 -1.78 0.00 0.00 34.13 30.24 2o3o s GLU 63 CO 0.14 -0.60 0.71 0.20 -0.49 0.00 0.00 175.26 175.22 2o3o s GLY 64 N -4.25 -0.52 0.17 -1.39 0.00 0.05 -4.73 107.32 96.66 2o3o s GLY 64 Ca 0.53 0.57 0.09 0.00 0.00 0.00 0.00 44.72 45.91 2o3o s GLY 64 CO 0.46 0.19 -0.20 -0.19 0.00 0.00 0.00 173.10 173.36 2o3o s TYR 65 N -3.55 1.95 -0.15 1.90 1.51 -1.26 0.60 117.35 118.35 2o3o s TYR 65 Ca 0.03 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.59 2o3o s TYR 65 Cb -0.01 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 2o3o s TYR 65 CO -0.10 0.38 0.08 0.50 -1.11 0.00 0.00 175.55 175.30 2o3o s ARG 66 N -2.76 3.67 0.15 -0.62 3.52 0.22 -4.30 118.95 118.83 2o3o s ARG 66 Ca 0.17 -0.28 0.11 0.00 -0.13 0.00 0.00 55.73 55.60 2o3o s ARG 66 Cb -0.06 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 2o3o s ARG 66 CO 0.08 0.50 -0.25 0.42 -0.81 0.00 0.00 175.30 175.24 2o3o s ILE 67 N -0.26 2.20 -0.07 4.11 -1.09 -0.96 -0.97 121.20 124.16 2o3o s ILE 67 Ca 0.09 -1.85 0.02 0.00 -2.23 0.00 0.00 60.65 56.67 2o3o s ILE 67 Cb -0.12 -1.99 0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2o3o s ILE 67 CO 0.01 -0.04 -0.10 0.42 -1.23 0.00 0.00 174.94 174.00 2o3o s THR 68 N -1.38 1.01 0.29 2.92 -4.23 -0.49 0.37 115.64 114.13 2o3o s THR 68 Ca 0.16 -0.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.37 2o3o s THR 68 Cb -0.09 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 2o3o s THR 68 CO 0.07 0.33 0.01 0.00 -0.54 0.00 0.00 174.62 174.50 2o3o s ALA 69 N 0.81 3.21 0.03 3.99 0.00 -0.74 -0.88 121.76 128.18 2o3o s ALA 69 Ca -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.11 2o3o s ALA 69 Cb -0.15 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 2o3o s ALA 69 CO 0.02 0.20 0.10 -0.80 0.00 0.00 0.00 175.76 175.28 2o3o s ASN 70 N -3.70 5.76 -0.07 0.00 0.01 0.16 -1.46 114.94 115.63 2o3o s ASN 70 Ca 0.33 0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 52.30 2o3o s ASN 70 Cb -0.05 -1.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 2o3o s ASN 70 CO 0.20 0.22 1.19 -1.58 -1.51 0.00 0.00 177.10 175.63 2o3o s GLN 71 N -2.07 4.34 0.12 -0.60 2.00 -1.14 -0.88 119.66 121.44 2o3o s GLN 71 Ca 0.27 1.65 -0.30 0.00 -2.00 0.00 0.00 55.36 54.98 2o3o s GLN 71 Cb -0.12 -3.58 -0.07 0.00 0.80 0.00 0.00 33.01 30.04 2o3o s GLN 71 CO 0.19 -0.47 1.24 0.21 -0.50 0.00 0.00 175.29 175.96 2o3o s LYS 72 N 2.35 4.43 -0.27 1.67 2.47 0.18 -4.93 119.74 125.63 2o3o s LYS 72 Ca 0.55 1.88 -0.10 0.00 -1.56 0.00 0.00 55.97 56.74 2o3o s LYS 72 Cb -0.24 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.80 2o3o s LYS 72 CO 0.21 -0.23 0.17 0.45 0.16 0.00 0.00 175.35 176.10 2o3o s SER 73 N 0.71 5.88 0.10 1.43 0.15 -1.26 -4.41 113.70 116.30 2o3o s SER 73 Ca 0.58 -0.03 -0.27 0.00 0.70 0.00 0.00 55.95 56.93 2o3o s SER 73 Cb -0.32 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2o3o s SER 73 CO 0.32 -0.03 0.85 -0.36 1.20 0.00 0.00 173.24 175.22 2o3o s PHE 74 N 1.65 3.80 0.38 3.44 0.40 0.12 -4.99 117.98 122.78 2o3o s PHE 74 Ca 0.07 1.65 0.07 0.00 -0.60 0.00 0.00 56.93 58.11 2o3o s PHE 74 Cb -0.16 -2.91 -0.00 0.00 0.51 0.00 0.00 43.02 40.46 2o3o s PHE 74 CO 0.09 0.29 0.52 -1.54 0.70 0.00 0.00 175.22 175.29 2o3o s SER 75 N -0.26 5.83 0.19 1.36 1.04 -1.26 -4.22 113.70 116.38 2o3o s SER 75 Ca 0.41 -0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.45 2o3o s SER 75 Cb -0.22 -1.01 0.19 0.00 0.10 0.00 0.00 66.02 65.08 2o3o s SER 75 CO 0.27 -0.58 1.67 0.50 0.98 0.00 0.00 173.24 176.07 2o3o h LYS 76 N 0.76 0.08 -0.09 4.02 3.64 -1.97 -2.55 116.57 120.46 2o3o h LYS 76 Ca -0.43 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.74 2o3o h LYS 76 Cb 1.27 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2o3o h LYS 76 CO 0.50 0.05 -0.76 0.93 -2.27 0.00 0.00 179.45 177.90 2o3o h GLU 77 N 0.08 0.50 -0.31 1.90 3.07 -1.98 -2.18 114.58 115.66 2o3o h GLU 77 Ca 0.26 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2o3o h GLU 77 Cb 0.39 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2o3o h GLU 77 CO -0.46 1.05 0.19 0.93 -1.40 0.00 0.00 179.01 179.33 2o3o h GLU 78 N 0.34 0.41 0.83 2.33 5.08 -1.94 -1.74 114.58 119.89 2o3o h GLU 78 Ca -0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2o3o h GLU 78 Cb 1.35 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.52 2o3o h GLU 78 CO 0.14 0.30 -0.40 0.82 -1.00 0.00 0.00 179.01 178.87 2o3o h ILE 79 N 0.41 0.16 0.00 3.13 2.04 -1.33 -2.93 117.51 118.97 2o3o h ILE 79 Ca 0.11 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2o3o h ILE 79 Cb -0.02 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2o3o h ILE 79 CO -0.02 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.29 2o3o n GLU 80 N -5.56 0.19 0.07 2.37 0.28 -0.83 -2.03 120.64 115.13 2o3o n GLU 80 Ca -0.15 0.50 0.12 0.00 -0.16 0.00 0.00 57.16 57.47 2o3o n GLU 80 Cb 0.45 -1.92 0.46 0.00 1.43 0.00 0.00 31.44 31.86 2o3o n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2o3o n ALA 81 N -1.79 2.02 -2.38 -1.84 0.00 -0.66 -4.65 120.51 111.22 2o3o n ALA 81 Ca 0.01 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2o3o n ALA 81 Cb 0.17 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.96 3.32 0.32 0.00 1.43 -0.86 -4.99 118.68 113.93 2o3o s LEU 82 Ca 0.09 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2o3o s LEU 82 Cb 0.12 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 43.41 2o3o s LEU 82 CO 0.47 -1.86 1.36 -0.75 0.23 0.00 0.00 176.35 175.81 2o3o s LYS 83 N 5.82 4.30 -0.93 1.70 2.20 -1.26 -3.91 119.74 127.66 2o3o s LYS 83 Ca 0.50 2.29 -0.03 0.00 -0.36 0.00 0.00 55.97 58.37 2o3o s LYS 83 Cb -0.10 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2o3o s LYS 83 CO 0.22 -0.29 0.79 -0.25 -0.36 0.00 0.00 175.35 175.45 2o3o n ASP 84 N 1.14 -3.47 -3.70 1.43 8.00 -1.26 -5.02 116.55 113.67 2o3o n ASP 84 Ca 0.02 -0.43 -0.13 0.00 0.71 0.00 0.00 54.79 54.96 2o3o n ASP 84 Cb 0.41 -3.85 -0.09 0.00 -0.02 0.00 0.00 41.12 37.57 2o3o n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2o3o s GLN 85 N -5.43 0.55 -0.11 -1.24 -0.21 -1.25 -2.15 119.66 109.82 2o3o s GLN 85 Ca 0.19 0.71 0.01 0.00 0.02 0.00 0.00 55.36 56.30 2o3o s GLN 85 Cb -0.09 0.23 -0.02 0.00 1.00 0.00 0.00 33.01 34.14 2o3o s GLN 85 CO 0.53 -0.08 -0.15 0.15 -2.12 0.00 0.00 175.29 173.62 2o3o s LYS 86 N 0.45 3.13 0.02 2.91 -0.14 0.77 -4.91 119.74 121.97 2o3o s LYS 86 Ca -0.02 -0.72 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 2o3o s LYS 86 Cb -0.04 -2.52 -0.05 0.00 -1.68 0.00 0.00 37.83 33.55 2o3o s LYS 86 CO -0.02 0.30 1.17 -1.25 -0.76 0.00 0.00 175.35 174.79 2o3o s PRO 87 N 0.11 4.43 -0.89 -1.68 0.04 -1.26 -0.63 135.00 135.12 2o3o s PRO 87 Ca -0.07 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 2o3o s PRO 87 Cb -0.15 -3.42 0.25 0.00 0.04 0.00 0.00 34.50 31.22 2o3o s PRO 87 CO 0.05 -0.28 2.18 1.28 0.04 0.00 0.00 177.00 180.28 2o3o n LEU 88 N 4.25 7.35 0.00 -3.56 4.77 0.68 -4.92 117.00 125.56 2o3o n LEU 88 Ca 0.09 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.23 2o3o n LEU 88 Cb 0.47 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2o3o n LEU 88 CO 0.55 1.88 0.00 0.47 -1.33 0.00 0.00 177.39 178.96 2o3o n ASP 90 N 0.21 0.00 -4.83 -1.43 8.00 -1.26 -4.92 116.55 112.32 2o3o n ASP 90 Ca 0.52 -0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.40 2o3o n ASP 90 Cb 0.31 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.37 4.13 0.36 -0.24 0.04 -1.26 -4.91 135.00 133.49 2o3o s PRO 92 Ca 0.00 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 2o3o s PRO 92 Cb 0.00 -2.87 0.04 0.00 0.04 0.00 0.00 34.50 31.70 2o3o s PRO 92 CO 0.00 0.41 0.69 -1.54 0.04 0.00 0.00 177.00 176.60 2o3o s SER 93 N -1.72 0.23 0.56 6.66 1.04 0.32 -4.90 113.70 115.89 2o3o s SER 93 Ca 0.42 -1.19 0.37 0.00 0.48 0.00 0.00 55.95 56.03 2o3o s SER 93 Cb -0.16 0.78 1.86 0.00 0.10 0.00 0.00 66.02 68.60 2o3o s SER 93 CO 0.20 -1.54 2.12 0.44 0.98 0.00 0.00 173.24 175.45 2o3o h ASP 94 N 2.04 0.00 0.00 7.02 5.19 -2.06 -2.91 116.42 125.69 2o3o h ASP 94 Ca -0.30 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.75 2o3o h ASP 94 Cb 1.25 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.70 2o3o h ASP 94 CO 0.39 0.00 -2.22 -0.67 -3.12 0.00 0.00 179.24 173.62 2o3o n ASP 95 N -2.93 1.58 -4.71 6.45 -0.08 -1.26 -5.03 116.55 110.57 2o3o n ASP 95 Ca -0.01 0.25 -0.37 0.00 -1.51 0.00 0.00 54.79 53.14 2o3o n ASP 95 Cb 0.15 -0.63 -0.07 0.00 2.34 0.00 0.00 41.12 42.92 2o3o n ASP 95 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2o3o s HIS 96 N -2.40 3.45 -0.17 -0.67 2.46 -1.10 -5.07 115.29 111.78 2o3o s HIS 96 Ca -0.30 0.70 -0.03 0.00 0.47 0.00 0.00 55.06 55.89 2o3o s HIS 96 Cb 0.12 -2.48 -0.02 0.00 -0.13 0.00 0.00 32.58 30.07 2o3o s HIS 96 CO 0.39 0.13 -0.05 0.15 -2.47 0.00 0.00 174.74 172.89 2o3o s LYS 97 N 0.81 3.57 -0.36 2.88 1.02 -1.26 0.12 119.74 126.52 2o3o s LYS 97 Ca 0.21 -0.56 -0.24 0.00 0.02 0.00 0.00 55.97 55.39 2o3o s LYS 97 Cb -0.14 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2o3o s LYS 97 CO 0.07 0.12 0.83 0.08 -0.92 0.00 0.00 175.35 175.54 2o3o s VAL 98 N 0.66 4.69 -0.58 3.17 1.01 -1.26 -4.88 120.40 123.21 2o3o s VAL 98 Ca -0.03 1.02 0.09 0.00 0.00 0.00 0.00 61.98 63.06 2o3o s VAL 98 Cb -0.15 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 2o3o s VAL 98 CO 0.02 -0.45 0.46 0.35 0.00 0.00 0.00 175.10 175.49 2o3o n THR 99 N 5.82 0.00 -3.97 3.92 -2.24 -1.26 0.15 114.28 116.70 2o3o n THR 99 Ca 0.04 -0.34 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 2o3o n THR 99 Cb 0.48 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.62 2.34 0.22 3.42 0.15 -1.26 -4.48 113.70 112.46 2o3o s SER 100 Ca 0.05 -0.36 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 2o3o s SER 100 Cb 0.07 -0.95 -0.08 0.00 -1.71 0.00 0.00 66.02 63.35 2o3o s SER 100 CO 0.31 -0.09 0.64 -0.76 1.20 0.00 0.00 173.24 174.54 2o3o s LEU 101 N 1.60 4.26 0.02 3.45 1.43 0.20 -4.91 118.68 124.73 2o3o s LEU 101 Ca 0.04 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2o3o s LEU 101 Cb -0.13 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 2o3o s LEU 101 CO -0.09 -0.01 -0.05 -0.75 0.23 0.00 0.00 176.35 175.69 2o3o s LYS 102 N -2.31 0.37 -0.16 1.70 2.20 -1.26 -0.94 119.74 119.34 2o3o s LYS 102 Ca 0.44 -0.57 -0.13 0.00 -0.36 0.00 0.00 55.97 55.36 2o3o s LYS 102 Cb -0.14 -0.09 0.05 0.00 -1.51 0.00 0.00 37.83 36.14 2o3o s LYS 102 CO 0.20 0.01 0.42 0.21 -0.36 0.00 0.00 175.35 175.82 2o3o s LYS 104 N -1.25 0.46 0.12 4.03 2.20 0.19 -0.23 119.74 125.26 2o3o s LYS 104 Ca -0.11 0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 55.87 2o3o s LYS 104 Cb -0.08 0.14 -0.06 0.00 -1.51 0.00 0.00 37.83 36.32 2o3o s LYS 104 CO -0.00 -0.10 1.00 -0.06 -0.36 0.00 0.00 175.35 175.83 2o3o s PHE 105 N 0.68 3.75 0.17 4.03 0.40 -0.36 -0.17 117.98 126.48 2o3o s PHE 105 Ca -0.04 1.74 -0.18 0.00 -0.60 0.00 0.00 56.93 57.85 2o3o s PHE 105 Cb -0.05 -3.12 0.09 0.00 0.51 0.00 0.00 43.02 40.46 2o3o s PHE 105 CO -0.05 -0.03 1.65 0.00 0.70 0.00 0.00 175.22 177.50 2o3o h ALA 106 N 5.57 0.19 -3.33 5.36 0.00 -1.75 -3.38 119.26 121.92 2o3o h ALA 106 Ca -0.43 0.15 -0.65 0.00 0.00 0.00 0.00 54.91 53.97 2o3o h ALA 106 Cb 1.21 0.37 -0.33 0.00 0.00 0.00 0.00 17.79 19.04 2o3o h ALA 106 CO 0.72 -0.50 -0.87 -0.80 0.00 0.00 0.00 179.25 177.81 2o3o s ASN 107 N -5.18 2.89 0.56 0.00 0.01 -1.26 -5.09 114.94 106.87 2o3o s ASN 107 Ca -0.14 -0.53 -0.21 0.00 -0.71 0.00 0.00 52.86 51.27 2o3o s ASN 107 Cb 0.14 -1.32 -0.04 0.00 0.41 0.00 0.00 41.25 40.44 2o3o s ASN 107 CO 0.70 0.13 1.34 -0.81 -1.51 0.00 0.00 177.10 176.95 2o3o n PRO 108 N 3.66 1.61 -3.63 -0.60 -0.04 -1.26 -4.94 135.00 129.80 2o3o n PRO 108 Ca -0.20 0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 63.47 2o3o n PRO 108 Cb 0.53 -2.56 -0.11 0.00 -0.04 0.00 0.00 33.50 31.31 2o3o n PRO 108 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2o3o s ILE 109 N -1.30 4.86 0.45 0.52 1.01 -0.81 -4.88 121.20 121.05 2o3o s ILE 109 Ca 0.73 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.93 2o3o s ILE 109 Cb -0.41 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 2o3o s ILE 109 CO 0.48 0.13 1.17 0.00 0.00 0.00 0.00 174.94 176.71 2o3o n ALA 110 N 5.02 0.86 -2.48 9.38 0.00 -1.26 -1.69 120.51 130.33 2o3o n ALA 110 Ca -0.14 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 2o3o n ALA 110 Cb 0.50 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 2o3o n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o3o s LEU 111 N -1.55 2.84 0.35 0.00 1.43 -0.84 -4.88 118.68 116.02 2o3o s LEU 111 Ca 0.64 -1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2o3o s LEU 111 Cb -0.50 -1.24 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 2o3o s LEU 111 CO 0.55 -0.77 0.75 -0.55 0.23 0.00 0.00 176.35 176.56 2o3o s SER 112 N -4.02 6.67 -0.01 2.29 0.15 -1.26 -4.97 113.70 112.55 2o3o s SER 112 Ca 0.32 1.21 -0.06 0.00 0.70 0.00 0.00 55.95 58.13 2o3o s SER 112 Cb 0.02 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 2o3o s SER 112 CO 0.18 -0.28 0.57 0.11 1.20 0.00 0.00 173.24 175.02 2o3o h LYS 113 N 1.85 -0.20 0.00 5.44 1.57 -1.97 -3.25 116.57 120.01 2o3o h LYS 113 Ca -0.48 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2o3o h LYS 113 Cb 1.18 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2o3o h LYS 113 CO 0.65 -0.13 -0.76 0.87 -0.57 0.00 0.00 179.45 179.50 2o3o h LYS 114 N -0.37 0.00 -0.75 3.15 1.57 -2.05 -3.30 116.57 114.82 2o3o h LYS 114 Ca -0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 2o3o h LYS 114 Cb 0.16 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.28 2o3o h LYS 114 CO 0.04 0.00 0.35 -3.47 -0.57 0.00 0.00 179.45 175.79 2o3o n ASP 115 N -2.67 4.02 0.09 0.86 -0.08 -1.26 -4.80 116.55 112.72 2o3o n ASP 115 Ca 0.01 -3.44 0.05 0.00 -1.51 0.00 0.00 54.79 49.90 2o3o n ASP 115 Cb 0.53 -0.75 0.47 0.00 2.34 0.00 0.00 41.12 43.71 2o3o n ASP 115 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2o3o h ILE 116 N 1.75 1.09 -0.07 5.18 2.10 -1.64 -3.02 117.51 122.91 2o3o h ILE 116 Ca 0.38 -0.25 -0.11 0.00 1.08 0.00 0.00 64.86 65.96 2o3o h ILE 116 Cb 2.38 0.76 0.01 0.00 -1.09 0.00 0.00 36.82 38.88 2o3o h ILE 116 CO 0.79 0.10 -0.38 -0.33 -1.08 0.00 0.00 178.15 177.25 2o3o h GLU 117 N 0.36 0.38 -0.04 2.19 5.08 -1.89 -0.79 114.58 119.87 2o3o h GLU 117 Ca 0.09 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2o3o h GLU 117 Cb 0.04 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2o3o h GLU 117 CO -0.01 0.96 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.39 2o3o h ASP 118 N -0.10 -0.37 -0.68 1.42 3.32 -1.94 -0.85 116.42 117.22 2o3o h ASP 118 Ca -0.03 0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.19 2o3o h ASP 118 Cb 1.04 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 2o3o h ASP 118 CO 0.08 -0.17 0.28 0.44 -1.72 0.00 0.00 179.24 178.15 2o3o h ASP 119 N -0.19 0.31 -0.09 6.45 5.19 -1.55 0.52 116.42 127.06 2o3o h ASP 119 Ca 0.06 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 2o3o h ASP 119 Cb 0.27 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.76 2o3o h ASP 119 CO -0.15 0.17 -0.40 0.00 -3.12 0.00 0.00 179.24 175.73 2o3o h ALA 120 N 1.45 -0.57 0.25 3.45 0.00 -0.28 0.07 119.26 123.64 2o3o h ALA 120 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2o3o h ALA 120 Cb 0.44 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2o3o h ALA 120 CO -0.32 -0.91 -0.43 1.96 0.00 0.00 0.00 179.25 179.56 2o3o h GLN 121 N -0.50 -0.72 -0.91 0.00 1.08 -0.35 -1.84 115.11 111.87 2o3o h GLN 121 Ca 0.07 0.05 0.26 0.00 -1.45 0.00 0.00 58.65 57.58 2o3o h GLN 121 Cb 0.62 0.16 -0.14 0.00 -0.05 0.00 0.00 27.48 28.07 2o3o h GLN 121 CO -0.36 -0.48 0.33 0.00 -0.95 0.00 0.00 178.83 177.37 2o3o h ALA 122 N -0.35 1.46 -0.15 3.87 0.00 -0.59 0.33 119.26 123.82 2o3o h ALA 122 Ca -0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2o3o h ALA 122 Cb 0.72 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2o3o h ALA 122 CO -0.17 -0.48 0.01 1.25 0.00 0.00 0.00 179.25 179.86 2o3o h LEU 123 N 0.25 0.25 0.05 0.00 5.85 -0.52 -2.63 115.31 118.57 2o3o h LEU 123 Ca 0.60 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2o3o h LEU 123 Cb 1.25 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2o3o h LEU 123 CO -0.64 0.48 -0.03 0.58 -0.34 0.00 0.00 178.44 178.50 2o3o h VAL 124 N 0.02 1.08 -0.89 1.05 2.07 -0.21 -1.83 116.25 117.55 2o3o h VAL 124 Ca 0.04 -0.45 0.19 0.00 0.82 0.00 0.00 66.70 67.30 2o3o h VAL 124 Cb 0.34 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 2o3o h VAL 124 CO 0.01 0.11 0.58 0.28 0.02 0.00 0.00 177.57 178.57 2o3o h SER 125 N -0.27 0.43 0.00 0.57 0.02 -0.44 -2.52 113.55 111.34 2o3o h SER 125 Ca -0.01 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2o3o h SER 125 Cb 0.24 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2o3o h SER 125 CO 0.01 0.18 -1.84 -1.54 -1.14 0.00 0.00 176.83 172.50 2o3o n SER 126 N -4.52 1.17 -0.01 3.07 3.41 -0.99 -4.40 113.62 111.35 2o3o n SER 126 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2o3o n SER 126 Cb 0.66 1.54 -0.03 0.00 -0.26 0.00 0.00 64.21 66.12 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 -2.21 1.55 -3.60 4.33 5.02 -0.70 -5.00 118.16 117.55 2o3o n LYS 127 Ca -0.09 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.81 2o3o n LYS 127 Cb 0.58 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.44 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 -2.18 5.15 0.15 -0.18 1.01 -0.95 -4.93 121.20 119.26 2o3o s ILE 128 Ca -0.02 0.61 -0.31 0.00 0.00 0.00 0.00 60.65 60.93 2o3o s ILE 128 Cb 0.02 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 2o3o s ILE 128 CO 0.15 0.52 1.63 -1.58 0.00 0.00 0.00 174.94 175.66 2o3o s GLN 129 N -1.28 4.19 -1.56 2.79 0.74 -1.26 -1.55 119.66 121.73 2o3o s GLN 129 Ca 0.24 2.42 0.00 0.00 0.05 0.00 0.00 55.36 58.07 2o3o s GLN 129 Cb -0.15 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.70 2o3o s GLN 129 CO 0.13 -0.67 0.00 -0.25 -0.55 0.00 0.00 175.29 173.94 2o3o n ASP 130 N 4.41 -5.20 0.25 6.67 10.43 -1.26 -4.85 116.55 127.00 2o3o n ASP 130 Ca 0.15 0.08 0.17 0.00 2.57 0.00 0.00 54.79 57.76 2o3o n ASP 130 Cb 0.38 -4.37 0.89 0.00 1.84 0.00 0.00 41.12 39.86 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 0.00 1.51 0.44 0.00 -1.43 -0.67 103.07 102.92 2o3o h GLY 131 Ca -0.42 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.92 2o3o h GLY 131 CO 0.51 0.00 0.30 1.05 0.00 0.00 0.00 176.54 178.39 2o3o h GLU 132 N 0.00 0.53 -0.00 4.80 9.09 -1.82 -2.78 114.58 124.40 2o3o h GLU 132 Ca 0.05 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2o3o h GLU 132 Cb 0.31 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2o3o h GLU 132 CO -0.00 0.35 -0.03 1.63 0.05 0.00 0.00 179.01 181.02 2o3o n LYS 133 N -4.47 0.65 -4.37 1.06 5.02 -0.26 -4.82 118.16 110.98 2o3o n LYS 133 Ca 0.04 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 2o3o n LYS 133 Cb 0.10 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.40 3.10 0.03 2.13 1.51 -1.05 -1.00 117.35 119.67 2o3o s TYR 134 Ca 0.33 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.45 2o3o s TYR 134 Cb 0.21 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 2o3o s TYR 134 CO 0.44 0.26 -0.10 0.21 -1.11 0.00 0.00 175.55 175.25 2o3o s LYS 135 N -0.34 2.37 0.16 -0.62 2.20 0.13 -4.91 119.74 118.74 2o3o s LYS 135 Ca 0.06 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 2o3o s LYS 135 Cb -0.12 -2.39 -0.08 0.00 -1.51 0.00 0.00 37.83 33.72 2o3o s LYS 135 CO 0.02 0.57 1.34 -1.17 -0.36 0.00 0.00 175.35 175.75 2o3o s LEU 136 N -1.51 4.40 -0.13 5.43 2.96 -1.26 -0.34 118.68 128.22 2o3o s LEU 136 Ca 0.17 2.36 0.02 0.00 -0.22 0.00 0.00 54.13 56.46 2o3o s LEU 136 Cb -0.11 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 2o3o s LEU 136 CO 0.08 -0.57 -0.10 1.87 -1.32 0.00 0.00 176.35 176.30 2o3o n TRP 137 N 3.14 0.00 -3.62 5.38 -0.00 0.09 -4.84 117.44 117.59 2o3o n TRP 137 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.56 2o3o n TRP 137 Cb 0.43 -0.53 -0.06 0.00 -0.00 0.00 0.00 31.31 31.14 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 -2.28 0.37 -0.40 5.87 2.20 -1.05 -5.02 119.74 119.44 2o3o s LYS 138 Ca -0.17 0.67 -0.21 0.00 -0.36 0.00 0.00 55.97 55.90 2o3o s LYS 138 Cb 0.05 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2o3o s LYS 138 CO 0.34 -0.08 0.68 0.08 -0.36 0.00 0.00 175.35 176.01 2o3o s VAL 139 N 1.46 4.80 -0.41 4.02 1.01 -1.26 -0.70 120.40 129.31 2o3o s VAL 139 Ca -0.08 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 2o3o s VAL 139 Cb -0.04 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2o3o s VAL 139 CO -0.15 -0.50 0.29 -0.62 0.00 0.00 0.00 175.10 174.11 2o3o s ASP 140 N 1.94 5.93 0.17 3.32 -1.08 -0.03 -4.96 116.67 121.96 2o3o s ASP 140 Ca 0.26 -1.11 0.02 0.00 -0.52 0.00 0.00 52.55 51.19 2o3o s ASP 140 Cb -0.14 -2.10 0.02 0.00 -1.46 0.00 0.00 42.92 39.25 2o3o s ASP 140 CO 0.18 -0.48 1.40 0.11 0.52 0.00 0.00 175.17 176.89 2o3o h LYS 141 N 8.56 0.24 0.48 4.34 1.57 -1.97 -1.54 116.57 128.26 2o3o h LYS 141 Ca -0.26 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 2o3o h LYS 141 Cb 1.11 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2o3o h LYS 141 CO 0.75 0.95 -0.23 0.66 -0.57 0.00 0.00 179.45 181.00 2o3o h SER 142 N 0.14 -0.55 0.14 0.86 4.64 -1.93 -2.62 113.55 114.23 2o3o h SER 142 Ca -0.04 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2o3o h SER 142 Cb 1.45 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2o3o h SER 142 CO 0.13 -0.26 0.00 0.29 -0.87 0.00 0.00 176.83 176.12 2o3o n LYS 143 N -5.30 0.55 -3.97 4.77 5.02 -1.24 -4.88 118.16 113.11 2o3o n LYS 143 Ca -0.11 0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 55.93 2o3o n LYS 143 Cb 0.30 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.10 -3.97 -4.13 1.97 5.02 -0.77 -4.90 118.16 110.28 2o3o n LYS 144 Ca 0.14 0.47 -0.09 0.00 -2.02 0.00 0.00 58.31 56.81 2o3o n LYS 144 Cb 0.11 -4.96 -0.10 0.00 -0.02 0.00 0.00 35.03 30.06 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 -6.57 0.77 -0.10 1.97 -1.05 -0.65 -1.26 118.70 111.81 2o3o s GLU 145 Ca 0.32 -1.33 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 2o3o s GLU 145 Cb -0.17 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 2o3o s GLU 145 CO 0.87 -0.15 -0.22 0.42 0.95 0.00 0.00 175.26 177.14 2o3o s ILE 146 N -3.91 1.90 -0.15 1.83 1.01 0.16 -0.85 121.20 121.19 2o3o s ILE 146 Ca 0.14 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2o3o s ILE 146 Cb 0.07 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2o3o s ILE 146 CO -0.05 0.52 -0.02 -0.63 0.00 0.00 0.00 174.94 174.77 2o3o s ILE 147 N 0.47 4.07 -0.01 2.92 1.01 0.12 0.02 121.20 129.81 2o3o s ILE 147 Ca -0.16 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.24 2o3o s ILE 147 Cb -0.17 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2o3o s ILE 147 CO 0.06 0.50 -0.14 -0.36 0.00 0.00 0.00 174.94 175.01 2o3o s PHE 148 N 0.21 2.70 -0.09 3.97 0.40 0.10 -0.73 117.98 124.55 2o3o s PHE 148 Ca -0.01 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 2o3o s PHE 148 Cb -0.14 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 2o3o s PHE 148 CO 0.02 0.25 -0.05 -0.06 0.70 0.00 0.00 175.22 176.09 2o3o s PHE 149 N -0.86 3.00 0.53 0.36 0.08 0.54 -1.93 117.98 119.70 2o3o s PHE 149 Ca 0.14 -0.01 -0.21 0.00 0.12 0.00 0.00 56.93 56.97 2o3o s PHE 149 Cb -0.11 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2o3o s PHE 149 CO 0.04 0.29 1.24 -1.14 -0.10 0.00 0.00 175.22 175.55 2o3o s GLN 150 N -0.60 3.32 0.44 0.44 0.74 0.19 0.22 119.66 124.41 2o3o s GLN 150 Ca 0.09 1.95 0.07 0.00 0.05 0.00 0.00 55.36 57.52 2o3o s GLN 150 Cb -0.12 -2.21 -0.02 0.00 1.10 0.00 0.00 33.01 31.76 2o3o s GLN 150 CO 0.02 -0.96 0.32 0.95 -0.55 0.00 0.00 175.29 175.07 2o3o s THR 151 N -1.48 2.35 -0.11 -0.34 -4.23 -0.17 -1.27 115.64 110.39 2o3o s THR 151 Ca 0.70 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2o3o s THR 151 Cb -0.33 -2.83 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2o3o s THR 151 CO 0.39 0.00 0.06 -0.47 -0.54 0.00 0.00 174.62 174.06 2o3o s TYR 152 N -2.57 0.27 -1.46 3.99 5.04 0.19 -4.78 117.35 118.02 2o3o s TYR 152 Ca 0.43 -0.13 -0.09 0.00 -2.44 0.00 0.00 57.07 54.84 2o3o s TYR 152 Cb -0.01 -0.65 0.04 0.00 0.35 0.00 0.00 41.96 41.69 2o3o s TYR 152 CO 0.25 -0.38 0.83 0.39 -1.34 0.00 0.00 175.55 175.30 2o3o n GLU 153 N 5.25 -5.55 -0.72 4.97 1.02 -1.26 -1.81 120.64 122.55 2o3o n GLU 153 Ca -0.06 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2o3o n GLU 153 Cb 0.49 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 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 -1.63 1.07 3.85 0.62 0.00 -1.26 -5.01 105.19 102.83 2o3o n GLY 154 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.17 3.65 0.34 1.61 3.76 -0.75 -4.98 115.29 115.75 2o3o s HIS 155 Ca 0.00 0.90 -0.28 0.00 -0.15 0.00 0.00 55.06 55.53 2o3o s HIS 155 Cb 0.00 -2.23 -0.12 0.00 1.11 0.00 0.00 32.58 31.33 2o3o s HIS 155 CO 0.00 0.57 1.30 0.66 -0.85 0.00 0.00 174.74 176.42 2o3o n TYR 156 N 1.32 2.28 -3.20 1.40 4.02 -1.26 0.54 117.16 122.26 2o3o n TYR 156 Ca -0.11 0.55 -0.46 0.00 -0.01 0.00 0.00 57.90 57.87 2o3o n TYR 156 Cb 0.52 -2.42 -0.03 0.00 -0.02 0.00 0.00 39.34 37.40 2o3o n TYR 156 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2o3o s ILE 157 N -1.05 5.25 0.33 -0.72 1.01 -0.39 -1.45 121.20 124.18 2o3o s ILE 157 Ca 0.56 -1.94 -0.29 0.00 0.00 0.00 0.00 60.65 58.98 2o3o s ILE 157 Cb -0.57 -4.53 -0.11 0.00 0.01 0.00 0.00 42.46 37.26 2o3o s ILE 157 CO 0.62 -1.14 1.41 -0.31 0.00 0.00 0.00 174.94 175.52 2o3o s TYR 158 N 1.28 2.85 0.32 3.97 1.51 0.59 -4.66 117.35 123.23 2o3o s TYR 158 Ca 0.19 1.22 -0.15 0.00 -1.01 0.00 0.00 57.07 57.31 2o3o s TYR 158 Cb -0.13 -3.86 0.03 0.00 -0.11 0.00 0.00 41.96 37.89 2o3o s TYR 158 CO -0.06 -2.52 0.68 1.14 -1.11 0.00 0.00 175.55 173.68 2o3o s GLN 159 N -1.58 1.94 0.15 -0.62 -2.07 -1.26 -4.50 119.66 111.72 2o3o s GLN 159 Ca 0.53 -1.30 -0.20 0.00 -1.82 0.00 0.00 55.36 52.57 2o3o s GLN 159 Cb -0.43 0.58 -0.07 0.00 -1.09 0.00 0.00 33.01 31.99 2o3o s GLN 159 CO 0.55 -0.88 0.66 0.15 -1.32 0.00 0.00 175.29 174.45 2o3o s LYS 160 N -3.20 4.27 -0.12 9.60 1.02 -1.26 -4.99 119.74 125.06 2o3o s LYS 160 Ca 0.17 0.84 0.16 0.00 0.02 0.00 0.00 55.97 57.16 2o3o s LYS 160 Cb -0.04 -3.10 0.64 0.00 -0.52 0.00 0.00 37.83 34.81 2o3o s LYS 160 CO 0.11 0.53 1.55 0.25 -0.92 0.00 0.00 175.35 176.87 2o3o n THR 161 N 1.28 1.92 0.17 2.17 -2.24 -1.26 -4.56 114.28 111.76 2o3o n THR 161 Ca -0.06 -1.33 0.03 0.00 -2.27 0.00 0.00 64.05 60.42 2o3o n THR 161 Cb 0.50 0.06 0.28 0.00 -2.10 0.00 0.00 70.33 69.07 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 3.35 0.00 -5.00 3.42 3.32 -1.94 -3.48 116.42 116.08 2o3o h ASP 162 Ca 0.00 0.00 0.25 0.00 0.02 0.00 0.00 57.03 57.30 2o3o h ASP 162 Cb 1.41 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.82 2o3o h ASP 162 CO 0.23 0.46 0.73 0.54 -1.72 0.00 0.00 179.24 179.48 2o3o s ASN 163 N -6.60 -0.14 0.59 6.45 6.03 -1.26 -5.04 114.94 114.96 2o3o s ASN 163 Ca -0.01 -0.11 0.38 0.00 -1.03 0.00 0.00 52.86 52.10 2o3o s ASN 163 Cb 0.12 0.23 1.85 0.00 -3.03 0.00 0.00 41.25 40.42 2o3o s ASN 163 CO 0.71 -0.40 2.15 -0.65 -2.03 0.00 0.00 177.10 176.88 2o3o h PRO 164 N 2.00 0.00 -0.39 3.55 0.11 -1.94 -3.07 132.00 132.26 2o3o h PRO 164 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2o3o h PRO 164 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2o3o h PRO 164 CO 0.26 0.00 0.25 0.77 -0.21 0.00 0.00 178.00 179.07 2o3o h SER 165 N 0.00 0.45 -2.38 -2.05 0.02 -1.97 -3.44 113.55 104.18 2o3o h SER 165 Ca 0.00 -0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 60.24 2o3o h SER 165 Cb 0.25 -0.11 -0.17 0.00 0.14 0.00 0.00 62.40 62.50 2o3o h SER 165 CO 0.00 0.34 0.84 0.20 -1.14 0.00 0.00 176.83 177.07 2o3o s ASN 166 N -5.57 6.60 0.00 3.07 0.01 -1.16 -5.11 114.94 112.77 2o3o s ASN 166 Ca -0.13 -1.98 0.00 0.00 -0.71 0.00 0.00 52.86 50.03 2o3o s ASN 166 Cb 0.11 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.36 2o3o s ASN 166 CO 0.72 -1.09 0.00 2.30 -1.51 0.00 0.00 177.10 177.52 2o3o n ILE 168 N 5.55 0.00 -3.09 0.60 -5.35 -1.26 -4.04 119.36 111.77 2o3o n ILE 168 Ca 0.23 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.52 2o3o n ILE 168 Cb 0.49 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.36 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 2.50 3.29 3.28 0.00 -1.26 -3.44 105.19 109.57 2o3o n GLY 169 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.17 1.19 -0.10 1.61 -0.21 -0.97 0.55 119.66 120.56 2o3o s GLN 170 Ca 0.35 -1.52 0.02 0.00 0.02 0.00 0.00 55.36 54.23 2o3o s GLN 170 Cb 0.24 -0.82 0.01 0.00 1.00 0.00 0.00 33.01 33.44 2o3o s GLN 170 CO -0.12 0.11 -0.16 0.08 -2.12 0.00 0.00 175.29 173.08 2o3o s VAL 171 N -3.19 1.52 -0.26 1.09 1.01 -0.81 -2.12 120.40 117.64 2o3o s VAL 171 Ca 0.20 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2o3o s VAL 171 Cb 0.01 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 35.07 2o3o s VAL 171 CO 0.04 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 2o3o s VAL 172 N 0.89 2.25 -0.14 2.92 1.01 -0.57 0.02 120.40 126.78 2o3o s VAL 172 Ca -0.09 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 60.12 2o3o s VAL 172 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2o3o s VAL 172 CO -0.00 0.00 0.62 -0.76 0.00 0.00 0.00 175.10 174.96 2o3o s LEU 173 N 1.13 4.23 -0.23 3.92 1.43 0.10 -1.24 118.68 128.02 2o3o s LEU 173 Ca -0.08 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 2o3o s LEU 173 Cb -0.20 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 2o3o s LEU 173 CO -0.05 -0.16 0.16 -1.00 0.23 0.00 0.00 176.35 175.53 2o3o s HIS 174 N 1.27 3.35 0.07 0.29 3.76 0.13 -0.67 115.29 123.49 2o3o s HIS 174 Ca 0.31 0.28 0.08 0.00 -0.15 0.00 0.00 55.06 55.58 2o3o s HIS 174 Cb -0.16 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 2o3o s HIS 174 CO 0.13 0.13 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.45 2o3o s LEU 175 N 0.86 2.62 0.00 0.89 1.43 -0.39 -0.27 118.68 123.82 2o3o s LEU 175 Ca 0.08 -0.49 -0.19 0.00 -1.03 0.00 0.00 54.13 52.51 2o3o s LEU 175 Cb -0.13 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2o3o s LEU 175 CO 0.03 0.22 0.40 0.21 0.23 0.00 0.00 176.35 177.45 2o3o s ASN 176 N -1.71 -0.30 0.21 2.29 2.47 -0.61 -4.81 114.94 112.48 2o3o s ASN 176 Ca 0.16 0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.59 2o3o s ASN 176 Cb -0.10 0.39 0.00 0.00 -1.45 0.00 0.00 41.25 40.08 2o3o s ASN 176 CO 0.07 -0.55 0.00 0.61 -3.72 0.00 0.00 177.10 173.51 2o3o n GLY 177 N 0.94 0.69 3.40 1.21 0.00 -1.26 -3.37 105.19 106.80 2o3o n GLY 177 Ca -0.20 -1.19 -0.45 0.00 0.00 0.00 0.00 46.02 44.18 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 3.96 -1.41 1.61 1.02 -1.26 -4.74 119.74 118.92 2o3o s LYS 178 Ca 0.00 -2.63 -0.02 0.00 0.02 0.00 0.00 55.97 53.34 2o3o s LYS 178 Cb 0.00 -4.76 0.01 0.00 -0.52 0.00 0.00 37.83 32.57 2o3o s LYS 178 CO 0.00 -1.51 0.54 0.09 -0.92 0.00 0.00 175.35 173.55 2o3o n ASN 179 N 4.53 -0.92 -4.56 2.83 4.13 -1.26 -4.75 115.26 115.25 2o3o n ASN 179 Ca 0.26 -0.95 -0.35 0.00 1.68 0.00 0.00 54.58 55.22 2o3o n ASN 179 Cb 0.43 -3.33 -0.11 0.00 -1.54 0.00 0.00 39.78 35.24 2o3o n ASN 179 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2o3o s GLU 180 N -6.44 3.85 -0.21 3.52 2.02 -1.22 -1.99 118.70 118.24 2o3o s GLU 180 Ca 0.08 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 2o3o s GLU 180 Cb -0.04 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 2o3o s GLU 180 CO 0.87 0.12 1.39 0.08 0.02 0.00 0.00 175.26 177.73 2o3o s VAL 181 N 0.79 4.04 -0.20 2.63 1.01 -0.68 -1.58 120.40 126.41 2o3o s VAL 181 Ca 0.03 1.22 -0.19 0.00 0.00 0.00 0.00 61.98 63.04 2o3o s VAL 181 Cb -0.14 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 2o3o s VAL 181 CO 0.02 -0.28 0.12 0.52 0.00 0.00 0.00 175.10 175.49 2o3o n VAL 182 N 5.88 1.52 -4.04 2.92 0.31 0.63 -1.93 118.33 123.61 2o3o n VAL 182 Ca 0.16 -0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 2o3o n VAL 182 Cb 0.45 -2.08 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 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 -6.73 0.20 0.14 4.52 1.04 -1.17 -1.22 113.70 110.48 2o3o s SER 183 Ca -0.27 -1.14 -0.06 0.00 0.48 0.00 0.00 55.95 54.95 2o3o s SER 183 Cb 0.06 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 2o3o s SER 183 CO 0.53 -1.16 0.19 -0.72 0.98 0.00 0.00 173.24 173.06 2o3o s TYR 184 N -3.73 0.54 0.14 5.02 -0.85 -1.26 0.17 117.35 117.38 2o3o s TYR 184 Ca 0.26 -0.92 0.08 0.00 -0.52 0.00 0.00 57.07 55.97 2o3o s TYR 184 Cb 0.00 -0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 2o3o s TYR 184 CO 0.12 -0.62 -0.09 -0.51 -1.52 0.00 0.00 175.55 172.93 2o3o s ASP 185 N -2.98 4.37 -0.16 -0.18 1.01 -0.38 -4.31 116.67 114.04 2o3o s ASP 185 Ca 0.18 -0.47 -0.14 0.00 0.71 0.00 0.00 52.55 52.83 2o3o s ASP 185 Cb 0.05 -0.80 0.04 0.00 1.01 0.00 0.00 42.92 43.22 2o3o s ASP 185 CO -0.01 0.14 0.42 -1.58 0.21 0.00 0.00 175.17 174.35 2o3o s GLN 186 N -2.54 0.49 -0.00 8.23 0.74 -0.11 -1.52 119.66 124.95 2o3o s GLN 186 Ca 0.23 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.25 2o3o s GLN 186 Cb -0.10 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.24 2o3o s GLN 186 CO 0.15 -0.07 -0.01 0.95 -0.55 0.00 0.00 175.29 175.77 2o3o s THR 187 N 0.30 0.07 0.01 -0.34 -4.23 -0.90 0.62 115.64 111.17 2o3o s THR 187 Ca -0.01 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 2o3o s THR 187 Cb -0.03 -0.08 -0.01 0.00 1.34 0.00 0.00 72.50 73.71 2o3o s THR 187 CO -0.00 0.03 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.14 2o3o s THR 188 N 0.11 0.59 0.03 3.99 2.01 -1.22 -2.28 115.64 118.87 2o3o s THR 188 Ca -0.01 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2o3o s THR 188 Cb -0.02 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2o3o s THR 188 CO -0.00 0.03 0.12 -0.76 -0.69 0.00 0.00 174.62 173.32 2o3o s LEU 189 N -0.53 4.04 0.15 4.42 1.43 -1.26 -0.65 118.68 126.29 2o3o s LEU 189 Ca 0.00 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 2o3o s LEU 189 Cb -0.05 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2o3o s LEU 189 CO 0.00 0.22 0.41 -1.83 0.23 0.00 0.00 176.35 175.38 2o3o s GLU 190 N -2.10 1.18 -0.94 1.70 -1.05 -0.06 -4.90 118.70 112.53 2o3o s GLU 190 Ca 0.28 -0.86 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 2o3o s GLU 190 Cb -0.12 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 33.98 2o3o s GLU 190 CO 0.20 -0.47 0.84 2.41 0.95 0.00 0.00 175.26 179.19 2o3o n THR 191 N -0.25 -9.41 -2.35 1.83 -1.04 -1.26 0.37 114.28 102.17 2o3o n THR 191 Ca -0.12 -1.00 -0.42 0.00 -2.04 0.00 0.00 64.05 60.47 2o3o n THR 191 Cb 0.63 -6.62 -0.03 0.00 -1.82 0.00 0.00 70.33 62.49 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 -3.26 3.29 -0.18 -1.42 0.40 -1.26 -4.19 117.98 111.36 2o3o s PHE 192 Ca 0.31 1.15 -0.03 0.00 -0.60 0.00 0.00 56.93 57.76 2o3o s PHE 192 Cb -0.04 -3.51 -0.02 0.00 0.51 0.00 0.00 43.02 39.96 2o3o s PHE 192 CO 0.73 -1.67 -0.05 0.15 0.70 0.00 0.00 175.22 175.08 2o3o s LYS 193 N 1.38 3.52 -0.62 0.44 3.01 -0.06 -4.97 119.74 122.44 2o3o s LYS 193 Ca 0.60 -0.58 -0.24 0.00 -1.01 0.00 0.00 55.97 54.74 2o3o s LYS 193 Cb -0.31 -2.92 0.05 0.00 -1.01 0.00 0.00 37.83 33.65 2o3o s LYS 193 CO 0.28 0.06 0.99 -0.65 0.51 0.00 0.00 175.35 176.55 2o3o s GLN 194 N 0.81 3.22 -0.00 1.68 -0.21 -1.26 -1.40 119.66 122.49 2o3o s GLN 194 Ca -0.02 -0.51 0.22 0.00 0.02 0.00 0.00 55.36 55.07 2o3o s GLN 194 Cb -0.15 -4.14 -0.24 0.00 1.00 0.00 0.00 33.01 29.48 2o3o s GLN 194 CO 0.02 -1.71 0.73 0.44 -2.12 0.00 0.00 175.29 172.65 2o3o n ILE 195 N 6.10 0.03 -3.58 1.08 -5.35 -0.15 -4.95 119.36 112.54 2o3o n ILE 195 Ca -0.01 -0.26 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 2o3o n ILE 195 Cb 0.47 0.43 -0.06 0.00 -1.74 0.00 0.00 39.64 38.75 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 -3.26 0.49 -0.19 6.28 0.74 -1.17 -4.95 119.66 117.59 2o3o s GLN 196 Ca 0.00 1.23 -0.16 0.00 0.05 0.00 0.00 55.36 56.48 2o3o s GLN 196 Cb 0.15 0.60 -0.04 0.00 1.10 0.00 0.00 33.01 34.83 2o3o s GLN 196 CO 0.88 -0.28 0.42 0.21 -0.55 0.00 0.00 175.29 175.97 2o3o s LYS 197 N 2.79 4.19 0.21 1.67 2.20 -1.26 0.69 119.74 130.23 2o3o s LYS 197 Ca -0.01 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 2o3o s LYS 197 Cb -0.12 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2o3o s LYS 197 CO -0.17 -0.04 0.09 -1.21 -0.36 0.00 0.00 175.35 173.66 2o3o s GLU 198 N 1.31 1.24 -0.15 4.03 2.02 0.20 -4.98 118.70 122.38 2o3o s GLU 198 Ca 0.20 -1.65 -0.21 0.00 0.02 0.00 0.00 54.97 53.33 2o3o s GLU 198 Cb -0.15 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.04 2o3o s GLU 198 CO 0.08 -0.30 0.63 0.45 0.02 0.00 0.00 175.26 176.14 2o3o s SER 199 N -3.21 6.77 0.20 -0.19 0.15 -1.26 -0.77 113.70 115.39 2o3o s SER 199 Ca 0.35 0.93 -0.15 0.00 0.70 0.00 0.00 55.95 57.78 2o3o s SER 199 Cb 0.07 -2.36 -0.08 0.00 -1.71 0.00 0.00 66.02 61.95 2o3o s SER 199 CO 0.10 -0.20 0.61 -0.76 1.20 0.00 0.00 173.24 174.20 2o3o s LEU 200 N 1.44 4.28 0.60 3.45 1.43 -0.50 -2.99 118.68 126.38 2o3o s LEU 200 Ca 0.31 1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 2o3o s LEU 200 Cb -0.16 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2o3o s LEU 200 CO 0.12 0.02 1.06 0.27 0.23 0.00 0.00 176.35 178.06 2o3o s ILE 201 N -1.60 3.75 0.73 -0.59 -4.36 0.41 -4.11 121.20 115.43 2o3o s ILE 201 Ca 0.43 0.84 -0.11 0.00 -0.26 0.00 0.00 60.65 61.54 2o3o s ILE 201 Cb -0.14 -3.36 0.03 0.00 1.25 0.00 0.00 42.46 40.24 2o3o s ILE 201 CO 0.20 -0.48 1.07 0.42 0.24 0.00 0.00 174.94 176.38 2o3o s THR 202 N -2.43 3.75 -0.70 8.37 -4.23 -1.26 -4.83 115.64 114.32 2o3o s THR 202 Ca 0.64 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 2o3o s THR 202 Cb -0.16 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.38 2o3o s THR 202 CO 0.37 -0.74 0.00 -0.62 -0.54 0.00 0.00 174.62 173.08 2o3o n GLU 203 N -3.23 0.00 0.00 3.99 1.02 -1.07 -1.34 120.64 120.01 2o3o n GLU 203 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2o3o n GLU 203 Cb 0.54 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 0.53 0.00 -0.25 1.62 8.00 -1.26 -2.32 116.55 122.88 2o3o n ASP 205 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2o3o n ASP 205 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.98 -0.15 2.24 0.00 -1.55 -0.21 119.26 120.57 2o3o h ALA 206 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2o3o h ALA 206 Cb 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2o3o h ALA 206 CO 0.00 -0.26 -0.03 0.28 0.00 0.00 0.00 179.25 179.25 2o3o h VAL 207 N 0.37 1.28 -0.97 0.00 2.07 -1.75 -2.31 116.25 114.94 2o3o h VAL 207 Ca 0.40 -0.96 0.12 0.00 0.82 0.00 0.00 66.70 67.07 2o3o h VAL 207 Cb 0.62 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 2o3o h VAL 207 CO -0.43 0.28 0.62 -0.33 0.02 0.00 0.00 177.57 177.73 2o3o h GLU 208 N -0.01 0.92 -0.81 1.57 5.08 -1.69 -0.16 114.58 119.48 2o3o h GLU 208 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2o3o h GLU 208 Cb 0.45 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2o3o h GLU 208 CO 0.01 0.61 0.47 1.25 -1.00 0.00 0.00 179.01 180.35 2o3o h LEU 209 N 0.95 0.99 0.50 1.33 5.85 -0.72 0.23 115.31 124.44 2o3o h LEU 209 Ca 0.47 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 2o3o h LEU 209 Cb 0.49 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2o3o h LEU 209 CO -0.24 0.77 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.33 2o3o h LEU 210 N 1.13 -0.57 -0.77 2.25 3.38 -0.53 -1.77 115.31 118.42 2o3o h LEU 210 Ca 0.29 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.33 2o3o h LEU 210 Cb -0.02 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 2o3o h LEU 210 CO -0.05 -0.29 0.39 0.22 0.09 0.00 0.00 178.44 178.80 2o3o h TYR 211 N -0.85 0.68 -0.98 1.13 3.20 -0.97 -0.06 116.97 119.12 2o3o h TYR 211 Ca -0.07 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.90 2o3o h TYR 211 Cb 0.59 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 2o3o h TYR 211 CO -0.01 0.20 0.63 -0.92 -1.64 0.00 0.00 178.16 176.42 2o3o h TYR 212 N 0.61 1.16 -0.16 -3.82 3.20 -0.45 -0.95 116.97 116.55 2o3o h TYR 212 Ca 0.40 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.30 2o3o h TYR 212 Cb 0.49 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2o3o h TYR 212 CO -0.11 0.59 0.00 1.04 -1.64 0.00 0.00 178.16 178.04 2o3o n GLN 213 N -4.53 1.57 -2.03 1.82 6.02 -0.07 -4.89 117.38 115.27 2o3o n GLN 213 Ca 0.15 -0.66 -0.07 0.00 -0.01 0.00 0.00 57.00 56.41 2o3o n GLN 213 Cb 0.19 -1.32 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 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 0.05 -2.86 -0.29 1.08 5.15 -0.36 -4.94 115.26 113.09 2o3o n ASN 214 Ca 0.06 0.01 0.11 0.00 -0.60 0.00 0.00 54.58 54.16 2o3o n ASN 214 Cb 0.26 -2.05 -0.03 0.00 -0.53 0.00 0.00 39.78 37.42 2o3o n ASN 214 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2o3o n GLN 215 N -1.83 0.71 -4.35 1.20 1.13 -1.04 -4.85 117.38 108.36 2o3o n GLN 215 Ca -0.09 -0.58 -0.34 0.00 -1.94 0.00 0.00 57.00 54.05 2o3o n GLN 215 Cb 0.53 -1.49 -0.13 0.00 0.11 0.00 0.00 30.24 29.26 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 -2.69 2.99 1.01 1.08 1.43 -1.26 -4.95 118.68 116.28 2o3o s LEU 216 Ca 0.14 -0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 2o3o s LEU 216 Cb 0.17 -1.72 0.22 0.00 0.03 0.00 0.00 46.19 44.89 2o3o s LEU 216 CO 0.69 0.11 1.28 -0.54 0.23 0.00 0.00 176.35 178.11 2o3o s LYS 217 N 0.73 0.28 0.81 1.70 3.01 -1.26 -4.98 119.74 120.04 2o3o s LYS 217 Ca -0.03 -0.33 -0.11 0.00 -1.01 0.00 0.00 55.97 54.49 2o3o s LYS 217 Cb -0.15 -1.80 0.09 0.00 -1.01 0.00 0.00 37.83 34.96 2o3o s LYS 217 CO 0.02 -2.67 1.13 -1.21 0.51 0.00 0.00 175.35 173.13 2o3o s GLU 218 N -5.79 1.80 -0.94 1.68 2.02 -1.26 -3.67 118.70 112.53 2o3o s GLU 218 Ca 0.73 1.40 0.00 0.00 0.02 0.00 0.00 54.97 57.13 2o3o s GLU 218 Cb -0.05 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2o3o s GLU 218 CO 0.54 -2.03 0.00 0.66 0.02 0.00 0.00 175.26 174.45 2o3o n TYR 219 N -3.63 -1.39 -3.86 1.61 4.02 0.52 -4.85 117.16 109.58 2o3o n TYR 219 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.71 2o3o n TYR 219 Cb 0.52 -2.51 -0.04 0.00 -0.02 0.00 0.00 39.34 37.30 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 -2.01 6.37 0.04 7.72 1.04 -1.24 -4.84 113.70 120.78 2o3o s SER 220 Ca 0.00 0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.81 2o3o s SER 220 Cb 0.00 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 2o3o s SER 220 CO 0.00 0.09 -0.23 -0.89 0.98 0.00 0.00 173.24 173.19 2o3o s THR 221 N -1.64 1.89 -0.33 2.02 2.01 -0.48 -2.30 115.64 116.81 2o3o s THR 221 Ca 0.36 -1.26 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 2o3o s THR 221 Cb -0.12 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 2o3o s THR 221 CO 0.28 0.31 0.30 -0.69 -0.69 0.00 0.00 174.62 174.12 2o3o s VAL 222 N -0.78 5.23 -0.13 3.82 1.01 -0.47 -1.52 120.40 127.57 2o3o s VAL 222 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 2o3o s VAL 222 Cb -0.09 -3.74 -0.25 0.00 0.00 0.00 0.00 36.38 32.30 2o3o s VAL 222 CO 0.02 -0.00 0.32 0.29 0.00 0.00 0.00 175.10 175.73 2o3o n LYS 223 N 5.24 0.74 -3.90 2.72 4.76 -0.17 -4.49 118.16 123.05 2o3o n LYS 223 Ca -0.11 0.25 -0.09 0.00 -2.87 0.00 0.00 58.31 55.49 2o3o n LYS 223 Cb 0.50 -1.69 -0.07 0.00 -1.84 0.00 0.00 35.03 31.92 2o3o n LYS 223 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2o3o s SER 224 N -6.92 0.12 -0.45 4.39 1.04 -1.24 -5.00 113.70 105.63 2o3o s SER 224 Ca -0.22 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.51 2o3o s SER 224 Cb 0.07 0.36 0.18 0.00 0.10 0.00 0.00 66.02 66.73 2o3o s SER 224 CO 0.76 -0.77 0.54 0.00 0.98 0.00 0.00 173.24 174.74 2o3o s LYS 226 N 0.80 3.03 0.10 0.00 -0.14 -0.61 -4.83 119.74 118.09 2o3o s LYS 226 Ca 0.27 -0.51 -0.18 0.00 -1.36 0.00 0.00 55.97 54.19 2o3o s LYS 226 Cb -0.02 -2.83 -0.07 0.00 -1.68 0.00 0.00 37.83 33.23 2o3o s LYS 226 CO -0.09 0.64 0.57 0.12 -0.76 0.00 0.00 175.35 175.83 2o3o s PHE 227 N -1.20 3.74 0.00 3.18 2.19 -1.26 -0.65 117.98 123.97 2o3o s PHE 227 Ca 0.23 1.21 0.00 0.00 0.33 0.00 0.00 56.93 58.71 2o3o s PHE 227 Cb -0.12 -2.46 0.00 0.00 -1.31 0.00 0.00 43.02 39.13 2o3o s PHE 227 CO 0.14 0.53 0.00 0.41 1.83 0.00 0.00 175.22 178.13 2o3o n GLY 228 N 1.39 2.30 3.11 13.12 0.00 -0.62 -4.39 105.19 120.09 2o3o n GLY 228 Ca -0.08 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.48 0.61 -0.00 1.61 1.51 -0.53 -1.30 117.35 117.77 2o3o s TYR 229 Ca 0.00 -1.02 -0.08 0.00 -1.01 0.00 0.00 57.07 54.96 2o3o s TYR 229 Cb 0.00 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.44 2o3o s TYR 229 CO 0.00 -0.32 0.15 0.14 -1.11 0.00 0.00 175.55 174.41 2o3o s VAL 230 N -3.80 0.08 -0.11 0.71 -7.23 -0.79 -0.30 120.40 108.96 2o3o s VAL 230 Ca 0.08 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.32 2o3o s VAL 230 Cb 0.07 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 2o3o s VAL 230 CO -0.09 -0.35 1.44 0.00 -0.31 0.00 0.00 175.10 175.79 2o3o s ALA 231 N -1.27 3.64 -0.14 1.32 0.00 -1.26 -0.87 121.76 123.18 2o3o s ALA 231 Ca -0.14 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 2o3o s ALA 231 Cb -0.07 -3.67 -0.25 0.00 0.00 0.00 0.00 23.12 19.13 2o3o s ALA 231 CO 0.02 -1.24 0.53 0.37 0.00 0.00 0.00 175.76 175.44 2o3o h GLN 232 N 8.72 0.12 -2.75 0.00 4.15 -0.31 -3.48 115.11 121.56 2o3o h GLN 232 Ca -0.33 -0.21 0.06 0.00 0.77 0.00 0.00 58.65 58.94 2o3o h GLN 232 Cb 1.14 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.80 2o3o h GLN 232 CO 0.96 1.10 0.32 1.52 -1.93 0.00 0.00 178.83 180.79 2o3o s TYR 233 N -2.38 -0.35 0.51 3.99 -0.85 -1.22 -5.04 117.35 112.01 2o3o s TYR 233 Ca -0.22 0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.43 2o3o s TYR 233 Cb 0.03 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.99 2o3o s TYR 233 CO 0.70 -0.88 0.72 -1.25 -1.52 0.00 0.00 175.55 173.33 2o3o s PRO 234 N -3.59 2.70 -0.26 -3.49 0.04 -1.26 -1.90 135.00 127.24 2o3o s PRO 234 Ca 0.06 -0.77 -0.02 0.00 0.04 0.00 0.00 61.00 60.31 2o3o s PRO 234 Cb -0.02 -2.54 0.14 0.00 0.04 0.00 0.00 34.50 32.12 2o3o s PRO 234 CO -0.05 -0.55 0.40 -0.51 0.04 0.00 0.00 177.00 176.34 2o3o s LEU 235 N -4.66 -0.73 0.00 -3.56 1.43 0.23 -4.89 118.68 106.50 2o3o s LEU 235 Ca 0.55 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2o3o s LEU 235 Cb -0.10 1.20 0.00 0.00 0.03 0.00 0.00 46.19 47.32 2o3o s LEU 235 CO 0.38 -0.31 0.00 0.41 0.23 0.00 0.00 176.35 177.06 2o3o n THR 236 N 5.37 0.00 0.22 5.49 -1.04 -1.26 0.20 114.28 123.25 2o3o n THR 236 Ca -0.02 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.07 2o3o n THR 236 Cb 0.50 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 69.48 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 0.00 0.00 -3.38 8.00 0.87 -1.98 -3.46 113.55 113.60 2o3o h SER 237 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2o3o h SER 237 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2o3o h SER 237 CO 0.00 0.27 0.03 -0.89 -0.53 0.00 0.00 176.83 175.71 2o3o s THR 238 N -3.83 4.65 0.01 2.23 2.01 0.54 -2.86 115.64 118.38 2o3o s THR 238 Ca -0.01 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.26 2o3o s THR 238 Cb 0.12 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2o3o s THR 238 CO 0.65 0.42 0.04 -1.10 -0.69 0.00 0.00 174.62 173.94 2o3o s GLN 239 N -1.46 2.89 -0.22 4.92 -1.52 -0.54 0.75 119.66 124.48 2o3o s GLN 239 Ca 0.35 -0.58 -0.04 0.00 -1.95 0.00 0.00 55.36 53.14 2o3o s GLN 239 Cb -0.19 -2.74 -0.00 0.00 -0.22 0.00 0.00 33.01 29.86 2o3o s GLN 239 CO 0.21 0.63 -0.04 0.08 -0.25 0.00 0.00 175.29 175.91 2o3o s VAL 240 N -1.16 3.33 0.11 1.09 1.01 -0.80 -1.78 120.40 122.20 2o3o s VAL 240 Ca 0.22 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2o3o s VAL 240 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2o3o s VAL 240 CO 0.13 0.40 0.05 -0.76 0.00 0.00 0.00 175.10 174.92 2o3o s LEU 241 N 1.47 3.62 -0.00 3.92 1.43 0.16 0.47 118.68 129.74 2o3o s LEU 241 Ca 0.05 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2o3o s LEU 241 Cb -0.14 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 2o3o s LEU 241 CO -0.03 0.14 -0.12 0.00 0.23 0.00 0.00 176.35 176.57 2o3o s ALA 242 N -1.48 0.98 0.30 4.21 0.00 -0.05 -2.28 121.76 123.44 2o3o s ALA 242 Ca 0.28 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 2o3o s ALA 242 Cb -0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 2o3o s ALA 242 CO 0.21 0.23 1.20 -1.25 0.00 0.00 0.00 175.76 176.14 2o3o s PRO 243 N -0.37 4.51 0.02 0.00 0.04 -1.26 -1.89 135.00 136.04 2o3o s PRO 243 Ca 0.04 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 2o3o s PRO 243 Cb -0.05 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2o3o s PRO 243 CO -0.00 0.03 0.15 0.14 0.04 0.00 0.00 177.00 177.35 2o3o s VAL 244 N -1.14 0.10 -0.19 -0.36 -7.23 -0.42 -1.06 120.40 110.10 2o3o s VAL 244 Ca 0.47 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.73 2o3o s VAL 244 Cb -0.36 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 2o3o s VAL 244 CO 0.46 -0.44 0.16 0.26 -0.31 0.00 0.00 175.10 175.23 2o3o s TRP 245 N -1.88 3.44 -0.30 2.82 0.52 0.41 -1.59 118.94 122.35 2o3o s TRP 245 Ca -0.11 0.39 -0.09 0.00 0.02 0.00 0.00 56.10 56.31 2o3o s TRP 245 Cb -0.05 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.10 2o3o s TRP 245 CO -0.01 0.33 0.14 0.50 0.02 0.00 0.00 176.95 177.93 2o3o s ARG 246 N 0.24 3.38 -0.19 4.98 3.52 0.18 -0.59 118.95 130.47 2o3o s ARG 246 Ca 0.10 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2o3o s ARG 246 Cb -0.11 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2o3o s ARG 246 CO -0.01 -0.38 0.00 0.42 -0.81 0.00 0.00 175.30 174.53 2o3o s ILE 247 N 1.61 4.07 -0.19 4.11 1.01 0.53 -1.58 121.20 130.76 2o3o s ILE 247 Ca 0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 2o3o s ILE 247 Cb -0.17 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2o3o s ILE 247 CO 0.06 0.44 0.07 -0.89 0.00 0.00 0.00 174.94 174.62 2o3o s THR 248 N 0.78 4.82 -0.13 2.92 2.01 -0.91 -1.32 115.64 123.81 2o3o s THR 248 Ca 0.00 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 2o3o s THR 248 Cb -0.14 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.22 2o3o s THR 248 CO 0.02 0.44 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.62 2o3o s VAL 249 N 0.49 1.16 -0.18 3.82 1.01 -0.09 -1.00 120.40 125.60 2o3o s VAL 249 Ca 0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2o3o s VAL 249 Cb -0.13 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2o3o s VAL 249 CO 0.01 0.34 0.12 -1.83 0.00 0.00 0.00 175.10 173.74 2o3o s GLU 250 N 1.64 4.01 0.38 2.72 -1.05 -0.57 -0.51 118.70 125.33 2o3o s GLU 250 Ca 0.04 -0.22 -0.16 0.00 -0.15 0.00 0.00 54.97 54.49 2o3o s GLU 250 Cb -0.13 -3.35 0.06 0.00 -0.44 0.00 0.00 34.13 30.27 2o3o s GLU 250 CO -0.09 0.39 0.80 1.52 0.95 0.00 0.00 175.26 178.83 2o3o s TYR 251 N 0.08 0.13 0.10 4.83 -0.85 -0.89 -1.38 117.35 119.37 2o3o s TYR 251 Ca 0.09 -0.81 0.10 0.00 -0.52 0.00 0.00 57.07 55.93 2o3o s TYR 251 Cb -0.11 0.84 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 2o3o s TYR 251 CO -0.01 -1.57 -0.26 -1.21 -1.52 0.00 0.00 175.55 170.98 2o3o s GLU 252 N -2.26 1.52 -0.82 -3.49 2.02 -1.26 -0.42 118.70 113.98 2o3o s GLU 252 Ca 0.16 -1.24 -0.14 0.00 0.02 0.00 0.00 54.97 53.76 2o3o s GLU 252 Cb -0.05 -1.88 0.21 0.00 0.10 0.00 0.00 34.13 32.51 2o3o s GLU 252 CO 0.11 0.46 0.78 0.99 0.02 0.00 0.00 175.26 177.63 2o3o s THR 261 N -0.97 5.53 0.43 3.63 2.01 -1.26 -5.19 115.64 119.82 2o3o s THR 261 Ca 0.13 -2.35 0.01 0.00 0.31 0.00 0.00 61.69 59.79 2o3o s THR 261 Cb -0.10 -4.49 -0.00 0.00 0.01 0.00 0.00 72.50 67.92 2o3o s THR 261 CO 0.04 -1.06 0.64 -0.69 -0.69 0.00 0.00 174.62 172.86 2o3o s VAL 262 N 0.43 3.97 -0.00 3.82 1.01 0.43 -5.11 120.40 124.96 2o3o s VAL 262 Ca 0.18 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2o3o s VAL 262 Cb -0.11 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2o3o s VAL 262 CO -0.08 -0.29 -0.14 -1.10 0.00 0.00 0.00 175.10 173.48 2o3o s GLN 263 N -4.49 2.34 0.04 2.72 -0.21 -1.26 -2.10 119.66 116.69 2o3o s GLN 263 Ca 0.48 -0.82 0.07 0.00 0.02 0.00 0.00 55.36 55.11 2o3o s GLN 263 Cb -0.10 -2.32 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 2o3o s GLN 263 CO 0.37 0.59 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.72 2o3o s GLU 264 N -1.14 1.34 -0.07 2.91 2.02 0.34 -4.97 118.70 119.12 2o3o s GLU 264 Ca 0.14 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.28 2o3o s GLU 264 Cb -0.11 -1.43 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 2o3o s GLU 264 CO 0.04 0.36 -0.23 0.71 0.02 0.00 0.00 175.26 176.17 2o3o s TYR 265 N -0.78 2.52 -0.07 1.61 1.51 -1.26 -0.92 117.35 119.97 2o3o s TYR 265 Ca 0.07 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 2o3o s TYR 265 Cb -0.09 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 2o3o s TYR 265 CO 0.02 -0.21 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.12 2o3o s PHE 266 N -0.07 1.03 -0.39 2.71 0.40 -0.43 -4.99 117.98 116.24 2o3o s PHE 266 Ca -0.06 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 55.76 2o3o s PHE 266 Cb -0.14 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.52 2o3o s PHE 266 CO 0.05 -0.29 0.28 0.95 0.70 0.00 0.00 175.22 176.90 2o3o s THR 267 N 1.19 5.22 -0.22 0.64 -4.23 -1.26 -0.34 115.64 116.63 2o3o s THR 267 Ca -0.06 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.79 2o3o s THR 267 Cb -0.14 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 2o3o s THR 267 CO -0.02 -0.25 0.06 -0.69 -0.54 0.00 0.00 174.62 173.19 2o3o s VAL 268 N 1.68 4.44 0.25 2.29 1.01 0.24 -4.94 120.40 125.37 2o3o s VAL 268 Ca 0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 2o3o s VAL 268 Cb -0.19 -3.05 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 2o3o s VAL 268 CO 0.10 0.38 1.55 -3.20 0.00 0.00 0.00 175.10 173.93 2o3o n ASN 269 N 4.44 3.44 0.04 3.32 4.05 -1.26 -0.45 115.26 128.85 2o3o n ASN 269 Ca -0.16 1.13 0.11 0.00 0.45 0.00 0.00 54.58 56.11 2o3o n ASN 269 Cb 0.52 -1.52 0.03 0.00 1.23 0.00 0.00 39.78 40.03 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 2.43 3.09 -1.73 5.20 0.00 -0.22 -4.82 120.51 124.46 2o3o n ALA 270 Ca 0.11 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.85 2o3o n ALA 270 Cb 0.34 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 -4.32 3.69 0.00 0.00 1.43 -1.26 -0.44 118.68 117.77 2o3o s LEU 271 Ca 0.02 2.17 0.07 0.00 -1.03 0.00 0.00 54.13 55.37 2o3o s LEU 271 Cb 0.13 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 41.84 2o3o s LEU 271 CO 0.80 -1.32 0.75 1.21 0.23 0.00 0.00 176.35 178.02 2o3o n GLU 272 N -1.50 0.18 -1.56 1.70 2.13 -1.16 -4.72 120.64 115.71 2o3o n GLU 272 Ca 0.12 -0.99 -0.20 0.00 0.66 0.00 0.00 57.16 56.75 2o3o n GLU 272 Cb 0.51 -1.14 -0.06 0.00 0.27 0.00 0.00 31.44 31.02 2o3o n GLU 272 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2o3o n SER 273 N 0.39 1.93 -0.03 4.31 3.41 -1.26 -4.51 113.62 117.86 2o3o n SER 273 Ca 0.04 -1.19 -0.04 0.00 -0.26 0.00 0.00 58.87 57.42 2o3o n SER 273 Cb 0.19 -1.63 -0.03 0.00 -0.26 0.00 0.00 64.21 62.48 2o3o n SER 273 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2o3o n THR 274 N 8.54 0.35 -3.88 6.66 -2.24 -1.26 -5.02 114.28 117.43 2o3o n THR 274 Ca 0.44 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.72 2o3o n THR 274 Cb 0.46 -0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.12 5.45 0.48 2.28 1.01 -1.26 -5.11 121.20 121.93 2o3o s ILE 275 Ca -0.08 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.80 2o3o s ILE 275 Cb 0.02 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2o3o s ILE 275 CO 0.15 0.60 0.05 -0.76 0.00 0.00 0.00 174.94 174.97 2o3o s LEU 276 N -0.85 2.56 -0.36 2.97 1.43 -1.26 -5.12 118.68 118.04 2o3o s LEU 276 Ca 0.14 -1.50 -0.17 0.00 -1.03 0.00 0.00 54.13 51.57 2o3o s LEU 276 Cb -0.12 -0.87 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 2o3o s LEU 276 CO 0.03 -0.74 0.46 -0.62 0.23 0.00 0.00 176.35 175.72 2o3o s ASP 277 N -3.87 6.26 -0.01 2.29 3.68 -1.26 -5.06 116.67 118.70 2o3o s ASP 277 Ca 0.19 -0.20 0.06 0.00 2.13 0.00 0.00 52.55 54.74 2o3o s ASP 277 Cb 0.04 -2.24 -0.03 0.00 -1.45 0.00 0.00 42.92 39.24 2o3o s ASP 277 CO 0.10 -0.46 -0.20 -0.89 0.13 0.00 0.00 175.17 173.85 2o3o s THR 278 N 2.25 2.63 -0.20 1.71 2.01 -1.26 -5.06 115.64 117.72 2o3o s THR 278 Ca 0.16 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 2o3o s THR 278 Cb -0.16 -2.03 -0.08 0.00 0.01 0.00 0.00 72.50 70.25 2o3o s THR 278 CO 0.13 0.49 2.16 0.47 -0.69 0.00 0.00 174.62 177.18 2o3o n ASP 279 N 2.07 3.14 0.00 3.53 8.00 -1.26 -5.35 116.55 126.69 2o3o n ASP 279 Ca -0.17 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2o3o n ASP 279 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2o3o n ASP 279 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48