#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 1.86 -0.34 -1.58 4.07 -1.26 -4.36 120.64 119.03 2o3o n GLU 35 Ca 0.00 0.01 0.26 0.00 -0.06 0.00 0.00 57.16 57.37 2o3o n GLU 35 Cb 0.00 -1.05 0.51 0.00 -0.06 0.00 0.00 31.44 30.84 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 0.87 0.37 4.31 -0.00 -2.05 -0.48 116.97 119.99 2o3o h TYR 36 Ca -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 58.73 58.70 2o3o h TYR 36 Cb 1.10 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 37.61 2o3o h TYR 36 CO 0.00 -0.22 -0.18 1.49 -0.00 0.00 0.00 178.16 179.25 2o3o h GLU 37 N 0.25 -0.47 -1.00 0.10 4.57 -2.00 -2.22 114.58 113.82 2o3o h GLU 37 Ca 0.76 0.03 0.38 0.00 -1.18 0.00 0.00 59.36 59.35 2o3o h GLU 37 Cb 1.84 0.11 -0.18 0.00 -0.16 0.00 0.00 28.75 30.36 2o3o h GLU 37 CO -0.61 -0.22 0.44 0.28 -1.18 0.00 0.00 179.01 177.72 2o3o h VAL 38 N -1.06 0.04 0.02 0.32 2.07 -1.54 0.25 116.25 116.35 2o3o h VAL 38 Ca -0.05 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 2o3o h VAL 38 Cb 0.47 -0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2o3o h VAL 38 CO 0.08 0.01 -0.88 0.40 0.02 0.00 0.00 177.57 177.20 2o3o h ILE 39 N 0.04 1.35 -0.55 4.57 1.08 -1.18 -2.71 117.51 120.11 2o3o h ILE 39 Ca 0.78 -2.22 0.06 0.00 -0.39 0.00 0.00 64.86 63.10 2o3o h ILE 39 Cb 1.97 2.55 -0.05 0.00 -3.07 0.00 0.00 36.82 38.21 2o3o h ILE 39 CO -0.78 0.67 0.25 0.11 -0.69 0.00 0.00 178.15 177.71 2o3o h LYS 40 N 0.14 0.47 -0.01 2.37 1.57 0.14 -0.67 116.57 120.58 2o3o h LYS 40 Ca -0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2o3o h LYS 40 Cb 1.56 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.77 2o3o h LYS 40 CO 0.17 0.31 -0.30 0.27 -0.57 0.00 0.00 179.45 179.33 2o3o n ASN 41 N -4.92 0.91 -0.04 0.86 0.23 -0.89 -0.18 115.26 111.23 2o3o n ASN 41 Ca 0.06 -0.76 -0.08 0.00 -0.53 0.00 0.00 54.58 53.28 2o3o n ASN 41 Cb 0.19 0.15 0.10 0.00 -2.08 0.00 0.00 39.78 38.14 2o3o n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2o3o h ASP 42 N 0.95 0.68 0.03 0.53 5.19 -1.05 -2.32 116.42 120.42 2o3o h ASP 42 Ca 0.00 -0.28 -0.21 0.00 -0.62 0.00 0.00 57.03 55.92 2o3o h ASP 42 Cb 0.50 -0.19 0.02 0.00 0.18 0.00 0.00 39.33 39.84 2o3o h ASP 42 CO 0.00 0.96 -0.85 0.58 -3.12 0.00 0.00 179.24 176.81 2o3o h VAL 43 N 0.55 1.36 -0.74 -1.35 2.07 -0.73 -2.17 116.25 115.24 2o3o h VAL 43 Ca 0.06 -2.22 0.10 0.00 0.82 0.00 0.00 66.70 65.45 2o3o h VAL 43 Cb 0.84 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 2o3o h VAL 43 CO 0.07 0.66 0.49 -0.08 0.02 0.00 0.00 177.57 178.73 2o3o h GLU 44 N 0.09 0.63 0.18 1.57 4.57 -0.62 -1.85 114.58 119.14 2o3o h GLU 44 Ca -0.11 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2o3o h GLU 44 Cb 1.55 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 2o3o h GLU 44 CO 0.17 0.42 -0.08 0.45 -1.18 0.00 0.00 179.01 178.78 2o3o h HIS 45 N 0.65 -0.22 0.00 0.92 3.86 -1.43 -2.86 115.15 116.07 2o3o h HIS 45 Ca 0.34 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2o3o h HIS 45 Cb 0.47 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2o3o h HIS 45 CO -0.00 0.16 0.00 -0.25 0.86 0.00 0.00 177.93 178.69 2o3o n ASP 46 N -5.01 0.00 0.00 2.45 10.43 -0.70 -0.89 116.55 122.82 2o3o n ASP 46 Ca -0.09 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.27 2o3o n ASP 46 Cb 0.24 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.20 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 0.64 0.00 -0.27 -1.24 3.00 -1.08 -2.21 118.16 117.00 2o3o n LYS 48 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2o3o n LYS 48 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.15 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 1.05 -0.08 3.14 0.00 -1.29 -1.70 119.26 120.37 2o3o h ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 2o3o n ASP 50 N -4.69 0.60 -3.36 0.00 8.00 -0.94 -4.93 116.55 111.24 2o3o n ASP 50 Ca 0.10 -2.01 -0.14 0.00 0.71 0.00 0.00 54.79 53.45 2o3o n ASP 50 Cb 0.17 -0.12 0.02 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 -0.21 -2.49 -5.21 1.24 8.25 -0.64 -0.95 115.22 115.22 2o3o n HIS 51 Ca 0.03 0.88 -0.32 0.00 -0.26 0.00 0.00 57.72 58.05 2o3o n HIS 51 Cb 0.11 -3.72 -0.17 0.00 1.12 0.00 0.00 29.99 27.33 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 -3.17 2.09 -0.28 1.59 1.01 -1.26 -3.38 121.20 117.81 2o3o s ILE 52 Ca 0.19 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2o3o s ILE 52 Cb -0.05 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2o3o s ILE 52 CO 0.80 0.56 0.18 -0.89 0.00 0.00 0.00 174.94 175.59 2o3o s THR 53 N 0.32 5.25 -0.33 2.92 2.01 -1.10 -4.73 115.64 119.98 2o3o s THR 53 Ca -0.18 0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.08 2o3o s THR 53 Cb -0.18 -3.49 0.46 0.00 0.01 0.00 0.00 72.50 69.30 2o3o s THR 53 CO 0.09 0.26 1.12 0.00 -0.69 0.00 0.00 174.62 175.40 2o3o n TYR 54 N 5.00 2.42 -3.86 4.92 0.18 -1.26 -2.62 117.16 121.94 2o3o n TYR 54 Ca -0.14 -2.54 -0.21 0.00 1.88 0.00 0.00 57.90 56.89 2o3o n TYR 54 Cb 0.52 -0.25 -0.02 0.00 -0.38 0.00 0.00 39.34 39.21 2o3o n TYR 54 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2o3o s GLU 55 N -3.55 3.37 -0.55 -3.48 -1.05 -1.26 -4.23 118.70 107.95 2o3o s GLU 55 Ca 0.42 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2o3o s GLU 55 Cb 0.40 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 31.21 2o3o s GLU 55 CO -0.04 0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.93 2o3o n GLY 56 N -1.46 0.38 3.11 -3.83 0.00 -1.26 -5.02 105.19 97.11 2o3o n GLY 56 Ca -0.07 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2o3o n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o3o s LEU 57 N -1.57 3.94 -0.28 0.99 1.43 -1.26 -4.94 118.68 116.99 2o3o s LEU 57 Ca 0.00 -1.49 -0.39 0.00 -1.03 0.00 0.00 54.13 51.23 2o3o s LEU 57 Cb 0.00 -1.65 -0.14 0.00 0.03 0.00 0.00 46.19 44.43 2o3o s LEU 57 CO 0.00 -0.27 1.87 -3.20 0.23 0.00 0.00 176.35 174.98 2o3o n ASN 58 N 4.50 2.42 -0.06 2.29 5.15 -1.26 -4.84 115.26 123.46 2o3o n ASN 58 Ca -0.11 0.91 0.12 0.00 -0.60 0.00 0.00 54.58 54.91 2o3o n ASN 58 Cb 0.43 -1.18 0.28 0.00 -0.53 0.00 0.00 39.78 38.77 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 6.23 0.20 -3.61 1.20 5.02 -1.26 -2.66 118.16 123.28 2o3o n LYS 59 Ca 0.30 -0.12 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 2o3o n LYS 59 Cb 0.16 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.88 4.04 0.49 1.97 0.41 -1.26 -4.93 118.70 116.53 2o3o s GLU 60 Ca 0.14 0.08 -0.21 0.00 -0.41 0.00 0.00 54.97 54.57 2o3o s GLU 60 Cb 0.18 -3.34 -0.08 0.00 -1.78 0.00 0.00 34.13 29.11 2o3o s GLU 60 CO 0.66 0.43 1.09 0.00 -0.49 0.00 0.00 175.26 176.94 2o3o s ALA 61 N -0.10 2.86 0.39 5.21 0.00 -1.26 -4.79 121.76 124.07 2o3o s ALA 61 Ca 0.17 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.90 2o3o s ALA 61 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2o3o s ALA 61 CO 0.05 -0.49 0.08 0.95 0.00 0.00 0.00 175.76 176.35 2o3o s THR 62 N -1.81 1.00 0.27 0.00 -4.23 -1.26 -5.03 115.64 104.58 2o3o s THR 62 Ca 0.67 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 2o3o s THR 62 Cb -0.21 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2o3o s THR 62 CO 0.25 0.00 0.43 -1.61 -0.54 0.00 0.00 174.62 173.15 2o3o s GLU 63 N -3.81 3.47 0.19 3.99 0.41 -1.26 -2.06 118.70 119.64 2o3o s GLU 63 Ca 0.27 -0.52 -0.18 0.00 -0.41 0.00 0.00 54.97 54.14 2o3o s GLU 63 Cb 0.05 -2.80 0.03 0.00 -1.78 0.00 0.00 34.13 29.63 2o3o s GLU 63 CO 0.13 0.33 0.52 0.20 -0.49 0.00 0.00 175.26 175.96 2o3o s GLY 64 N -3.80 -0.10 0.05 -1.39 0.00 -0.34 -4.86 107.32 96.89 2o3o s GLY 64 Ca 0.37 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.95 2o3o s GLY 64 CO 0.31 -0.26 -0.20 -0.19 0.00 0.00 0.00 173.10 172.77 2o3o s TYR 65 N -3.87 1.70 -0.06 1.90 1.51 -1.26 0.38 117.35 117.65 2o3o s TYR 65 Ca 0.09 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 2o3o s TYR 65 Cb -0.01 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2o3o s TYR 65 CO -0.03 0.10 0.78 1.03 -1.11 0.00 0.00 175.55 176.32 2o3o s ARG 66 N -1.31 4.46 0.13 -0.62 0.52 -0.21 -4.29 118.95 117.63 2o3o s ARG 66 Ca 0.06 1.02 0.09 0.00 -0.52 0.00 0.00 55.73 56.38 2o3o s ARG 66 Cb -0.09 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2o3o s ARG 66 CO 0.02 0.01 -0.16 0.42 0.02 0.00 0.00 175.30 175.61 2o3o s ILE 67 N 0.95 2.93 0.11 1.52 -1.09 -0.36 -1.83 121.20 123.43 2o3o s ILE 67 Ca 0.41 -1.55 0.08 0.00 -2.23 0.00 0.00 60.65 57.36 2o3o s ILE 67 Cb -0.18 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 2o3o s ILE 67 CO 0.20 0.05 -0.20 0.42 -1.23 0.00 0.00 174.94 174.18 2o3o s THR 68 N -1.29 1.67 -0.11 2.92 -4.23 -0.88 0.14 115.64 113.86 2o3o s THR 68 Ca 0.20 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 2o3o s THR 68 Cb -0.10 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.22 2o3o s THR 68 CO 0.11 -0.11 0.28 0.00 -0.54 0.00 0.00 174.62 174.36 2o3o s ALA 69 N -1.29 -0.68 0.33 3.99 0.00 -0.62 -1.68 121.76 121.81 2o3o s ALA 69 Ca 0.07 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 2o3o s ALA 69 Cb -0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 2o3o s ALA 69 CO 0.04 -0.16 0.81 -0.80 0.00 0.00 0.00 175.76 175.66 2o3o s ASN 70 N 0.52 6.94 -0.46 0.00 0.01 0.55 -1.05 114.94 121.45 2o3o s ASN 70 Ca -0.03 1.48 -0.24 0.00 -0.71 0.00 0.00 52.86 53.36 2o3o s ASN 70 Cb -0.05 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.19 2o3o s ASN 70 CO -0.03 -0.18 0.86 -1.58 -1.51 0.00 0.00 177.10 174.66 2o3o s GLN 71 N -2.72 3.47 -0.19 -0.60 2.00 -0.91 -0.31 119.66 120.40 2o3o s GLN 71 Ca 0.53 0.03 -0.34 0.00 -2.00 0.00 0.00 55.36 53.58 2o3o s GLN 71 Cb -0.12 -3.93 -0.11 0.00 0.80 0.00 0.00 33.01 29.64 2o3o s GLN 71 CO 0.18 -1.17 1.99 1.17 -0.50 0.00 0.00 175.29 176.96 2o3o n LYS 72 N 6.95 1.77 -2.95 1.67 3.00 -0.29 -4.95 118.16 123.36 2o3o n LYS 72 Ca 0.04 0.60 -0.41 0.00 -0.00 0.00 0.00 58.31 58.54 2o3o n LYS 72 Cb 0.48 -2.62 -0.05 0.00 0.00 0.00 0.00 35.03 32.85 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 5.40 6.84 -0.13 3.14 0.15 -1.26 -4.47 113.70 123.38 2o3o s SER 73 Ca 0.99 1.04 -0.21 0.00 0.70 0.00 0.00 55.95 58.46 2o3o s SER 73 Cb -0.73 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.13 2o3o s SER 73 CO 0.50 -0.41 0.62 -0.36 1.20 0.00 0.00 173.24 174.79 2o3o s PHE 74 N 2.34 3.49 0.49 3.44 0.40 0.12 -5.00 117.98 123.26 2o3o s PHE 74 Ca 0.35 1.04 -0.05 0.00 -0.60 0.00 0.00 56.93 57.67 2o3o s PHE 74 Cb -0.16 -2.74 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 2o3o s PHE 74 CO 0.10 0.02 0.80 -1.54 0.70 0.00 0.00 175.22 175.30 2o3o s SER 75 N 0.89 6.21 0.24 1.36 1.04 -1.26 -4.36 113.70 117.81 2o3o s SER 75 Ca 0.31 0.92 -0.13 0.00 0.48 0.00 0.00 55.95 57.53 2o3o s SER 75 Cb -0.16 -2.20 0.32 0.00 0.10 0.00 0.00 66.02 64.07 2o3o s SER 75 CO 0.13 -0.62 1.58 0.50 0.98 0.00 0.00 173.24 175.81 2o3o h LYS 76 N 0.18 -0.02 0.00 4.02 3.64 -1.97 -2.53 116.57 119.89 2o3o h LYS 76 Ca -0.47 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.71 2o3o h LYS 76 Cb 1.21 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2o3o h LYS 76 CO 0.62 -0.02 -1.01 0.93 -2.27 0.00 0.00 179.45 177.70 2o3o h GLU 77 N -0.02 0.00 -0.73 1.90 5.08 -1.98 -2.30 114.58 116.53 2o3o h GLU 77 Ca 0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 2o3o h GLU 77 Cb 0.61 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2o3o h GLU 77 CO -0.87 0.83 0.34 0.93 -1.00 0.00 0.00 179.01 179.24 2o3o h GLU 78 N 0.00 1.05 0.30 2.33 5.08 -1.89 -0.96 114.58 120.49 2o3o h GLU 78 Ca -0.05 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2o3o h GLU 78 Cb 1.73 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2o3o h GLU 78 CO 0.11 0.81 -0.14 0.82 -1.00 0.00 0.00 179.01 179.61 2o3o h ILE 79 N 1.04 0.55 0.00 3.13 2.04 -1.16 -3.12 117.51 119.98 2o3o h ILE 79 Ca 0.25 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2o3o h ILE 79 Cb 0.12 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2o3o h ILE 79 CO -0.03 0.12 0.00 1.05 0.00 0.00 0.00 178.15 179.29 2o3o h GLU 80 N -0.92 0.00 0.00 2.37 4.11 -1.48 -1.44 114.58 117.23 2o3o h GLU 80 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2o3o h GLU 80 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2o3o h GLU 80 CO 0.07 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.15 2o3o h ALA 81 N 2.14 1.00 -1.42 1.06 0.00 -1.10 -3.40 119.26 117.54 2o3o h ALA 81 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2o3o h ALA 81 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2o3o h ALA 81 CO 0.00 0.00 1.12 -0.51 0.00 0.00 0.00 179.25 179.86 2o3o s LEU 82 N -5.01 3.22 0.28 0.00 1.43 -0.54 -4.98 118.68 113.08 2o3o s LEU 82 Ca -0.01 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2o3o s LEU 82 Cb 0.09 -2.63 -0.10 0.00 0.03 0.00 0.00 46.19 43.58 2o3o s LEU 82 CO 0.33 -1.92 1.32 -0.75 0.23 0.00 0.00 176.35 175.56 2o3o s LYS 83 N 5.95 4.36 -1.54 1.70 2.20 -1.26 -3.28 119.74 127.86 2o3o s LYS 83 Ca 0.44 2.18 -0.01 0.00 -0.36 0.00 0.00 55.97 58.21 2o3o s LYS 83 Cb -0.09 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2o3o s LYS 83 CO 0.18 -0.23 0.12 -0.25 -0.36 0.00 0.00 175.35 174.81 2o3o n ASP 84 N 1.52 -5.43 -3.99 1.43 8.00 -1.26 -5.00 116.55 111.82 2o3o n ASP 84 Ca 0.03 -0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.27 2o3o n ASP 84 Cb 0.42 -4.44 -0.15 0.00 -0.02 0.00 0.00 41.12 36.93 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 -5.07 0.67 -0.09 -1.24 -0.21 -1.21 -0.90 119.66 111.61 2o3o s GLN 85 Ca 0.06 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.20 2o3o s GLN 85 Cb -0.03 -0.65 -0.02 0.00 1.00 0.00 0.00 33.01 33.31 2o3o s GLN 85 CO 0.08 0.13 -0.13 0.15 -2.12 0.00 0.00 175.29 173.40 2o3o s LYS 86 N -0.02 2.97 0.41 2.91 -0.14 -0.33 -4.94 119.74 120.61 2o3o s LYS 86 Ca 0.01 -0.68 -0.25 0.00 -1.36 0.00 0.00 55.97 53.69 2o3o s LYS 86 Cb -0.05 -2.52 -0.08 0.00 -1.68 0.00 0.00 37.83 33.50 2o3o s LYS 86 CO -0.00 0.42 1.19 -1.25 -0.76 0.00 0.00 175.35 174.95 2o3o s PRO 87 N -0.19 3.97 -0.56 -1.68 0.04 -1.26 -0.36 135.00 134.97 2o3o s PRO 87 Ca 0.00 1.89 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2o3o s PRO 87 Cb -0.13 -2.64 0.42 0.00 0.04 0.00 0.00 34.50 32.19 2o3o s PRO 87 CO 0.03 -0.40 1.60 1.28 0.04 0.00 0.00 177.00 179.55 2o3o n LEU 88 N -0.03 6.25 0.00 -3.56 4.77 0.14 -4.84 117.00 119.72 2o3o n LEU 88 Ca 0.05 -4.76 0.00 0.00 -0.03 0.00 0.00 56.01 51.26 2o3o n LEU 88 Cb 0.46 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2o3o n LEU 88 CO 0.51 1.89 0.00 0.47 -1.33 0.00 0.00 177.39 178.93 2o3o n ASP 90 N -0.67 0.08 -4.74 -1.43 8.00 -1.26 -4.97 116.55 111.55 2o3o n ASP 90 Ca 0.50 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.76 2o3o n ASP 90 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 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 3.22 2.68 0.33 -0.24 0.04 -1.26 -4.85 135.00 134.92 2o3o s PRO 92 Ca 0.00 -1.07 -0.18 0.00 0.04 0.00 0.00 61.00 59.79 2o3o s PRO 92 Cb 0.00 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 32.11 2o3o s PRO 92 CO 0.00 0.43 0.75 -1.54 0.04 0.00 0.00 177.00 176.68 2o3o s SER 93 N -3.36 -0.13 0.30 6.66 1.04 -0.27 -4.91 113.70 113.05 2o3o s SER 93 Ca 0.31 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.88 2o3o s SER 93 Cb -0.09 0.79 0.74 0.00 0.10 0.00 0.00 66.02 67.56 2o3o s SER 93 CO 0.22 -1.51 1.59 0.44 0.98 0.00 0.00 173.24 174.95 2o3o h ASP 94 N 2.00 -0.39 0.84 7.02 3.32 -2.06 -1.23 116.42 125.92 2o3o h ASP 94 Ca -0.25 0.26 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 2o3o h ASP 94 Cb 1.25 0.44 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 2o3o h ASP 94 CO 0.32 -0.32 -0.92 -0.78 -1.72 0.00 0.00 179.24 175.81 2o3o h ASP 95 N 0.04 0.06 -4.46 6.45 1.82 -2.09 -3.47 116.42 114.77 2o3o h ASP 95 Ca 0.59 -0.06 -0.38 0.00 -0.39 0.00 0.00 57.03 56.79 2o3o h ASP 95 Cb 1.21 -0.02 -0.23 0.00 0.68 0.00 0.00 39.33 40.97 2o3o h ASP 95 CO -0.87 0.95 -0.77 -2.28 -1.61 0.00 0.00 179.24 174.66 2o3o s HIS 96 N -2.96 1.02 -0.17 0.28 2.46 -0.47 -5.14 115.29 110.32 2o3o s HIS 96 Ca -0.00 -0.41 0.01 0.00 0.47 0.00 0.00 55.06 55.13 2o3o s HIS 96 Cb 0.10 -0.60 0.02 0.00 -0.13 0.00 0.00 32.58 31.98 2o3o s HIS 96 CO 0.81 0.01 -0.18 0.15 -2.47 0.00 0.00 174.74 173.06 2o3o s LYS 97 N -1.38 2.79 -0.68 2.88 1.02 -1.26 -1.11 119.74 122.00 2o3o s LYS 97 Ca -0.03 -0.77 -0.24 0.00 0.02 0.00 0.00 55.97 54.96 2o3o s LYS 97 Cb -0.09 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.83 2o3o s LYS 97 CO 0.01 -0.22 1.06 0.08 -0.92 0.00 0.00 175.35 175.36 2o3o s VAL 98 N 1.34 4.15 -1.71 3.17 1.01 -1.26 -4.84 120.40 122.26 2o3o s VAL 98 Ca 0.05 -0.09 0.15 0.00 0.00 0.00 0.00 61.98 62.08 2o3o s VAL 98 Cb -0.13 -4.75 0.18 0.00 0.00 0.00 0.00 36.38 31.68 2o3o s VAL 98 CO -0.12 -1.56 1.04 0.35 0.00 0.00 0.00 175.10 174.81 2o3o n THR 99 N 6.08 0.21 -3.78 3.92 -2.24 -1.26 -0.70 114.28 116.50 2o3o n THR 99 Ca -0.01 -0.60 -0.26 0.00 -2.27 0.00 0.00 64.05 60.91 2o3o n THR 99 Cb 0.47 1.14 -0.17 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.18 2.26 0.24 3.42 0.15 -1.26 -4.64 113.70 112.69 2o3o s SER 100 Ca 0.20 -0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.26 2o3o s SER 100 Cb 0.13 -0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 63.79 2o3o s SER 100 CO 0.19 -0.23 0.65 -0.76 1.20 0.00 0.00 173.24 174.28 2o3o s LEU 101 N 1.88 4.20 -0.00 3.45 1.43 0.27 -4.94 118.68 124.96 2o3o s LEU 101 Ca 0.02 1.17 -0.05 0.00 -1.03 0.00 0.00 54.13 54.24 2o3o s LEU 101 Cb -0.14 -3.70 -0.00 0.00 0.03 0.00 0.00 46.19 42.37 2o3o s LEU 101 CO -0.07 -0.06 0.10 -0.75 0.23 0.00 0.00 176.35 175.80 2o3o s LYS 102 N -2.52 0.37 -0.11 1.70 2.20 -1.26 -2.10 119.74 118.02 2o3o s LYS 102 Ca 0.47 -0.32 -0.13 0.00 -0.36 0.00 0.00 55.97 55.63 2o3o s LYS 102 Cb -0.13 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.38 2o3o s LYS 102 CO 0.19 -0.08 0.34 0.21 -0.36 0.00 0.00 175.35 175.66 2o3o s LYS 104 N -1.07 0.46 -0.04 4.03 2.20 0.52 0.23 119.74 126.08 2o3o s LYS 104 Ca -0.12 0.37 -0.26 0.00 -0.36 0.00 0.00 55.97 55.60 2o3o s LYS 104 Cb -0.07 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2o3o s LYS 104 CO 0.01 -0.07 0.80 -0.06 -0.36 0.00 0.00 175.35 175.67 2o3o s PHE 105 N -0.08 3.62 0.18 4.03 0.40 -0.84 -1.18 117.98 124.10 2o3o s PHE 105 Ca -0.02 1.42 -0.20 0.00 -0.60 0.00 0.00 56.93 57.53 2o3o s PHE 105 Cb -0.03 -2.92 0.11 0.00 0.51 0.00 0.00 43.02 40.70 2o3o s PHE 105 CO 0.01 0.07 1.61 0.00 0.70 0.00 0.00 175.22 177.61 2o3o h ALA 106 N 6.70 0.02 -3.17 5.36 0.00 -1.36 -3.36 119.26 123.45 2o3o h ALA 106 Ca -0.41 0.15 -0.63 0.00 0.00 0.00 0.00 54.91 54.02 2o3o h ALA 106 Cb 1.21 0.62 -0.36 0.00 0.00 0.00 0.00 17.79 19.26 2o3o h ALA 106 CO 0.75 -0.62 -0.84 -0.80 0.00 0.00 0.00 179.25 177.74 2o3o s ASN 107 N -5.13 3.00 0.65 0.00 0.01 -1.26 -5.11 114.94 107.10 2o3o s ASN 107 Ca -0.14 -0.63 -0.17 0.00 -0.71 0.00 0.00 52.86 51.20 2o3o s ASN 107 Cb 0.15 -1.30 -0.01 0.00 0.41 0.00 0.00 41.25 40.51 2o3o s ASN 107 CO 0.70 -0.06 1.19 -2.16 -1.51 0.00 0.00 177.10 175.26 2o3o s PRO 108 N 1.39 2.68 -0.34 -0.60 0.04 -1.26 -4.97 135.00 131.95 2o3o s PRO 108 Ca 0.04 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 2o3o s PRO 108 Cb -0.14 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2o3o s PRO 108 CO -0.11 -1.40 0.16 0.42 0.04 0.00 0.00 177.00 176.11 2o3o s ILE 109 N -1.87 4.36 0.36 0.56 1.01 -0.63 -4.83 121.20 120.16 2o3o s ILE 109 Ca 0.74 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 60.32 2o3o s ILE 109 Cb -0.28 -3.36 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 2o3o s ILE 109 CO 0.38 -0.11 1.46 0.00 0.00 0.00 0.00 174.94 176.67 2o3o n ALA 110 N 4.94 2.17 -2.50 9.38 0.00 -1.26 -0.33 120.51 132.91 2o3o n ALA 110 Ca -0.13 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 2o3o n ALA 110 Cb 0.47 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.42 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 -1.69 2.71 1.17 0.00 1.43 0.13 -4.88 118.68 117.55 2o3o s LEU 111 Ca 0.55 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 2o3o s LEU 111 Cb -0.50 -1.46 0.29 0.00 0.03 0.00 0.00 46.19 44.55 2o3o s LEU 111 CO 0.62 0.13 1.03 -0.55 0.23 0.00 0.00 176.35 177.80 2o3o s SER 112 N -2.60 0.91 -0.20 2.29 0.15 -1.26 -4.83 113.70 108.16 2o3o s SER 112 Ca 0.22 1.48 -0.16 0.00 0.70 0.00 0.00 55.95 58.19 2o3o s SER 112 Cb -0.09 -2.27 -0.11 0.00 -1.71 0.00 0.00 66.02 61.84 2o3o s SER 112 CO 0.12 -4.24 -0.14 0.29 1.20 0.00 0.00 173.24 170.47 2o3o n LYS 113 N -4.94 0.54 0.00 5.44 5.02 -1.26 -3.98 118.16 118.98 2o3o n LYS 113 Ca 0.03 0.42 0.11 0.00 -2.02 0.00 0.00 58.31 56.84 2o3o n LYS 113 Cb 0.54 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 2o3o n LYS 113 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o3o n LYS 114 N -4.44 0.66 -0.16 1.97 5.02 -1.26 -4.16 118.16 115.79 2o3o n LYS 114 Ca -0.28 -0.55 0.07 0.00 -2.02 0.00 0.00 58.31 55.53 2o3o n LYS 114 Cb 0.59 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 34.21 2o3o n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2o3o n ASP 115 N -0.69 1.73 -0.53 4.39 -0.08 -1.26 -4.92 116.55 115.18 2o3o n ASP 115 Ca 0.07 -2.73 0.43 0.00 -1.51 0.00 0.00 54.79 51.05 2o3o n ASP 115 Cb 0.41 -0.34 0.71 0.00 2.34 0.00 0.00 41.12 44.23 2o3o n ASP 115 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2o3o n ILE 116 N -1.02 -0.18 -0.01 5.18 3.06 -1.26 -1.93 119.36 123.21 2o3o n ILE 116 Ca 0.11 1.69 -0.16 0.00 -2.50 0.00 0.00 62.75 61.88 2o3o n ILE 116 Cb 0.63 -2.77 -0.10 0.00 0.54 0.00 0.00 39.64 37.93 2o3o n ILE 116 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2o3o h GLU 117 N 0.00 0.42 -0.57 9.51 5.08 -1.92 -2.52 114.58 124.58 2o3o h GLU 117 Ca 0.88 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2o3o h GLU 117 Cb 3.06 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 32.38 2o3o h GLU 117 CO -0.33 1.05 0.35 -0.44 -1.00 0.00 0.00 179.01 178.64 2o3o h ASP 118 N -0.06 0.69 -0.87 1.42 3.32 -1.82 -1.77 116.42 117.34 2o3o h ASP 118 Ca -0.05 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.02 2o3o h ASP 118 Cb 1.19 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 2o3o h ASP 118 CO 0.10 0.54 0.56 0.44 -1.72 0.00 0.00 179.24 179.17 2o3o h ASP 119 N 0.78 0.82 0.06 6.45 5.19 -1.55 -1.24 116.42 126.92 2o3o h ASP 119 Ca 0.21 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2o3o h ASP 119 Cb -0.02 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.33 2o3o h ASP 119 CO -0.04 0.50 -0.03 0.00 -3.12 0.00 0.00 179.24 176.56 2o3o h ALA 120 N 1.55 -0.08 -0.38 3.45 0.00 -1.03 -1.98 119.26 120.79 2o3o h ALA 120 Ca 0.39 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2o3o h ALA 120 Cb 0.31 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2o3o h ALA 120 CO -0.15 -0.30 -0.32 1.96 0.00 0.00 0.00 179.25 180.44 2o3o h GLN 121 N -0.58 -0.25 -0.63 0.00 1.08 -1.01 -0.51 115.11 113.21 2o3o h GLN 121 Ca -0.01 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 2o3o h GLN 121 Cb 0.50 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.88 2o3o h GLN 121 CO 0.01 -0.17 -0.03 0.00 -0.95 0.00 0.00 178.83 177.69 2o3o h ALA 122 N 0.74 0.58 -0.18 3.87 0.00 -1.23 0.44 119.26 123.48 2o3o h ALA 122 Ca 0.17 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.32 2o3o h ALA 122 Cb 0.54 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2o3o h ALA 122 CO -0.52 -0.40 -0.06 1.25 0.00 0.00 0.00 179.25 179.51 2o3o h LEU 123 N 0.09 -0.21 0.43 0.00 5.85 -0.35 -1.44 115.31 119.68 2o3o h LEU 123 Ca 0.32 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 2o3o h LEU 123 Cb 0.53 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2o3o h LEU 123 CO -0.56 -0.08 -0.21 0.58 -0.34 0.00 0.00 178.44 177.83 2o3o h VAL 124 N -0.03 0.52 -1.13 1.05 2.07 0.31 -0.59 116.25 118.45 2o3o h VAL 124 Ca 0.09 -0.41 0.32 0.00 0.82 0.00 0.00 66.70 67.52 2o3o h VAL 124 Cb 0.16 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 2o3o h VAL 124 CO -0.20 0.07 0.75 0.28 0.02 0.00 0.00 177.57 178.49 2o3o h SER 125 N -0.84 0.31 0.00 0.57 0.02 -0.15 -2.17 113.55 111.29 2o3o h SER 125 Ca -0.06 0.08 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 2o3o h SER 125 Cb 0.56 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 2o3o h SER 125 CO 0.10 0.02 -2.20 -1.54 -1.14 0.00 0.00 176.83 172.06 2o3o n SER 126 N -4.54 0.13 -0.01 3.07 3.41 -0.55 -4.44 113.62 110.69 2o3o n SER 126 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2o3o n SER 126 Cb 1.07 1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 66.36 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 -2.54 1.42 -3.94 4.33 5.02 -0.24 -5.02 118.16 117.19 2o3o n LYS 127 Ca -0.21 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.73 2o3o n LYS 127 Cb 0.91 -1.09 -0.05 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 -2.20 5.31 0.30 -0.18 1.01 -0.83 -4.98 121.20 119.63 2o3o s ILE 128 Ca -0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 2o3o s ILE 128 Cb 0.02 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 2o3o s ILE 128 CO 0.16 0.29 1.59 -1.58 0.00 0.00 0.00 174.94 175.40 2o3o s GLN 129 N -2.02 4.11 -1.23 2.79 0.74 -1.26 -1.18 119.66 121.61 2o3o s GLN 129 Ca 0.28 2.59 0.00 0.00 0.05 0.00 0.00 55.36 58.28 2o3o s GLN 129 Cb -0.13 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 30.97 2o3o s GLN 129 CO 0.20 -0.64 0.00 -0.25 -0.55 0.00 0.00 175.29 174.05 2o3o n ASP 130 N 2.05 -3.82 -0.24 6.67 10.43 -1.26 -4.82 116.55 125.56 2o3o n ASP 130 Ca 0.08 0.24 0.17 0.00 2.57 0.00 0.00 54.79 57.84 2o3o n ASP 130 Cb 0.37 -3.36 0.47 0.00 1.84 0.00 0.00 41.12 40.44 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 0.98 0.55 0.44 0.00 -1.33 -0.87 103.07 102.83 2o3o h GLY 131 Ca -0.29 -0.22 0.19 0.00 0.00 0.00 0.00 47.33 47.01 2o3o h GLY 131 CO 0.38 0.02 0.53 1.05 0.00 0.00 0.00 176.54 178.52 2o3o h GLU 132 N 0.49 0.18 -0.24 4.80 9.09 -1.82 -2.33 114.58 124.75 2o3o h GLU 132 Ca 0.46 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.86 2o3o h GLU 132 Cb 1.00 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 2o3o h GLU 132 CO -0.19 0.12 0.00 1.63 0.05 0.00 0.00 179.01 180.62 2o3o n LYS 133 N -4.40 1.04 -4.64 1.06 5.02 -0.33 -4.82 118.16 111.08 2o3o n LYS 133 Ca 0.15 -0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 2o3o n LYS 133 Cb 0.70 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.76 2.12 -0.00 2.13 1.51 -0.88 -1.36 117.35 119.11 2o3o s TYR 134 Ca 0.01 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 2o3o s TYR 134 Cb 0.01 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.62 2o3o s TYR 134 CO 0.01 0.17 -0.13 0.21 -1.11 0.00 0.00 175.55 174.70 2o3o s LYS 135 N -1.49 1.00 0.14 -0.62 2.20 -0.15 -4.95 119.74 115.87 2o3o s LYS 135 Ca 0.10 -0.48 -0.31 0.00 -0.36 0.00 0.00 55.97 54.92 2o3o s LYS 135 Cb -0.10 -0.97 -0.09 0.00 -1.51 0.00 0.00 37.83 35.16 2o3o s LYS 135 CO 0.03 0.26 1.48 -1.17 -0.36 0.00 0.00 175.35 175.60 2o3o s LEU 136 N -0.40 4.37 -0.19 5.43 2.96 -1.26 -1.16 118.68 128.43 2o3o s LEU 136 Ca 0.04 2.47 -0.02 0.00 -0.22 0.00 0.00 54.13 56.41 2o3o s LEU 136 Cb -0.05 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.93 2o3o s LEU 136 CO -0.00 -0.74 -0.19 1.87 -1.32 0.00 0.00 176.35 175.96 2o3o n TRP 137 N 4.02 0.00 -3.64 5.38 -0.00 0.78 -4.86 117.44 119.11 2o3o n TRP 137 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.57 2o3o n TRP 137 Cb 0.40 -0.73 -0.07 0.00 -0.00 0.00 0.00 31.31 30.91 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 -2.38 0.55 -0.37 5.87 2.20 -0.89 -5.00 119.74 119.72 2o3o s LYS 138 Ca -0.26 0.91 -0.14 0.00 -0.36 0.00 0.00 55.97 56.12 2o3o s LYS 138 Cb 0.08 0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2o3o s LYS 138 CO 0.42 -0.11 0.28 0.08 -0.36 0.00 0.00 175.35 175.66 2o3o s VAL 139 N 1.31 5.26 -0.34 4.02 1.01 -1.26 -0.33 120.40 130.07 2o3o s VAL 139 Ca -0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2o3o s VAL 139 Cb -0.04 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2o3o s VAL 139 CO -0.15 -0.14 0.13 -0.62 0.00 0.00 0.00 175.10 174.32 2o3o s ASP 140 N 1.71 5.41 0.14 3.32 -1.08 -0.02 -4.97 116.67 121.18 2o3o s ASP 140 Ca 0.06 -0.99 -0.09 0.00 -0.52 0.00 0.00 52.55 51.02 2o3o s ASP 140 Cb -0.18 -1.92 -0.04 0.00 -1.46 0.00 0.00 42.92 39.32 2o3o s ASP 140 CO 0.11 -0.31 1.41 0.11 0.52 0.00 0.00 175.17 177.00 2o3o h LYS 141 N 8.29 0.73 -0.20 4.34 1.57 -1.98 -2.25 116.57 127.08 2o3o h LYS 141 Ca -0.26 -0.51 -0.14 0.00 -1.87 0.00 0.00 60.65 57.88 2o3o h LYS 141 Cb 1.10 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2o3o h LYS 141 CO 0.62 1.13 -0.45 0.66 -0.57 0.00 0.00 179.45 180.85 2o3o h SER 142 N 0.54 0.53 -0.24 0.86 4.64 -1.94 -2.56 113.55 115.38 2o3o h SER 142 Ca -0.01 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2o3o h SER 142 Cb 1.22 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2o3o h SER 142 CO 0.13 0.91 0.00 0.29 -0.87 0.00 0.00 176.83 177.28 2o3o n LYS 143 N -4.00 1.97 -3.95 4.77 5.02 -1.22 -4.96 118.16 115.79 2o3o n LYS 143 Ca -0.02 -1.47 -0.37 0.00 -2.02 0.00 0.00 58.31 54.44 2o3o n LYS 143 Cb 0.54 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 2o3o n LYS 143 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o3o n LYS 144 N 0.70 -1.14 -3.49 1.97 5.02 -0.90 -4.90 118.16 115.42 2o3o n LYS 144 Ca 0.17 0.26 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 2o3o n LYS 144 Cb 0.41 -3.51 -0.03 0.00 -0.02 0.00 0.00 35.03 31.89 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 -6.79 1.21 -0.10 1.97 -1.05 -0.90 -2.07 118.70 110.98 2o3o s GLU 145 Ca 0.36 -0.51 0.03 0.00 -0.15 0.00 0.00 54.97 54.70 2o3o s GLU 145 Cb -0.16 0.55 0.01 0.00 -0.44 0.00 0.00 34.13 34.08 2o3o s GLU 145 CO 0.92 -0.51 -0.19 0.42 0.95 0.00 0.00 175.26 176.85 2o3o s ILE 146 N -3.65 1.72 -0.15 1.83 1.01 -0.23 -0.84 121.20 120.89 2o3o s ILE 146 Ca 0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 2o3o s ILE 146 Cb -0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2o3o s ILE 146 CO -0.12 0.49 -0.05 -0.63 0.00 0.00 0.00 174.94 174.62 2o3o s ILE 147 N 0.60 3.76 -0.05 2.92 1.01 0.55 -0.67 121.20 129.32 2o3o s ILE 147 Ca -0.14 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.16 2o3o s ILE 147 Cb -0.17 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 2o3o s ILE 147 CO 0.04 0.50 -0.23 -0.36 0.00 0.00 0.00 174.94 174.90 2o3o s PHE 148 N 0.32 2.48 -0.10 3.97 0.40 0.28 -0.16 117.98 125.16 2o3o s PHE 148 Ca -0.05 -0.54 -0.06 0.00 -0.60 0.00 0.00 56.93 55.68 2o3o s PHE 148 Cb -0.14 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2o3o s PHE 148 CO 0.03 -0.10 0.14 -0.06 0.70 0.00 0.00 175.22 175.93 2o3o s PHE 149 N -0.35 3.56 0.70 0.36 0.08 -0.31 -1.73 117.98 120.29 2o3o s PHE 149 Ca 0.02 0.47 -0.16 0.00 0.12 0.00 0.00 56.93 57.38 2o3o s PHE 149 Cb -0.12 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2o3o s PHE 149 CO 0.02 0.70 1.19 0.94 -0.10 0.00 0.00 175.22 177.98 2o3o n GLN 150 N 1.79 0.76 -4.55 0.44 7.27 0.41 -0.97 117.38 122.53 2o3o n GLN 150 Ca -0.18 0.32 -0.27 0.00 0.07 0.00 0.00 57.00 56.94 2o3o n GLN 150 Cb 0.54 -2.43 -0.10 0.00 2.41 0.00 0.00 30.24 30.66 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 -1.65 2.08 -0.05 1.69 -4.23 -0.47 -2.01 115.64 111.01 2o3o s THR 151 Ca 0.78 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 2o3o s THR 151 Cb -0.35 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.57 2o3o s THR 151 CO 0.45 -0.04 -0.02 -0.47 -0.54 0.00 0.00 174.62 174.00 2o3o s TYR 152 N -2.68 0.69 -1.54 3.99 5.04 0.18 -4.80 117.35 118.24 2o3o s TYR 152 Ca 0.35 -0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.78 2o3o s TYR 152 Cb 0.08 -0.71 0.00 0.00 0.35 0.00 0.00 41.96 41.69 2o3o s TYR 152 CO 0.18 -0.25 0.03 0.39 -1.34 0.00 0.00 175.55 174.57 2o3o n GLU 153 N 4.50 -0.95 0.00 4.97 1.02 -1.26 -0.35 120.64 128.56 2o3o n GLU 153 Ca -0.18 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2o3o n GLU 153 Cb 0.50 -3.55 0.00 0.00 -0.02 0.00 0.00 31.44 28.37 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 -2.56 2.61 3.81 0.62 0.00 -1.26 -4.99 105.19 103.41 2o3o n GLY 154 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.45 3.41 0.44 1.61 3.76 0.52 -4.91 115.29 119.66 2o3o s HIS 155 Ca 0.00 1.66 -0.25 0.00 -0.15 0.00 0.00 55.06 56.32 2o3o s HIS 155 Cb 0.00 -2.88 -0.08 0.00 1.11 0.00 0.00 32.58 30.72 2o3o s HIS 155 CO 0.00 -0.06 1.36 0.71 -0.85 0.00 0.00 174.74 175.91 2o3o s TYR 156 N -2.00 2.61 -0.77 1.40 4.12 -1.26 0.50 117.35 121.95 2o3o s TYR 156 Ca 0.59 1.34 -0.12 0.00 0.02 0.00 0.00 57.07 58.90 2o3o s TYR 156 Cb -0.12 -3.79 0.20 0.00 -1.52 0.00 0.00 41.96 36.73 2o3o s TYR 156 CO 0.17 -2.54 0.68 0.42 0.02 0.00 0.00 175.55 174.30 2o3o s ILE 157 N -1.24 5.22 0.35 2.71 1.01 -0.85 -1.57 121.20 126.83 2o3o s ILE 157 Ca 0.60 -2.49 -0.28 0.00 0.00 0.00 0.00 60.65 58.47 2o3o s ILE 157 Cb -0.41 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 37.70 2o3o s ILE 157 CO 0.52 -0.99 1.36 -0.31 0.00 0.00 0.00 174.94 175.52 2o3o s TYR 158 N 0.23 2.90 0.05 3.97 1.51 0.57 -4.66 117.35 121.92 2o3o s TYR 158 Ca 0.17 1.35 -0.27 0.00 -1.01 0.00 0.00 57.07 57.31 2o3o s TYR 158 Cb -0.13 -3.77 0.08 0.00 -0.11 0.00 0.00 41.96 38.02 2o3o s TYR 158 CO -0.07 -2.19 0.69 1.14 -1.11 0.00 0.00 175.55 174.00 2o3o s GLN 159 N -1.92 1.11 0.52 -0.62 -2.07 -1.26 -4.46 119.66 110.96 2o3o s GLN 159 Ca 0.51 -0.18 -0.21 0.00 -1.82 0.00 0.00 55.36 53.66 2o3o s GLN 159 Cb -0.41 0.51 -0.06 0.00 -1.09 0.00 0.00 33.01 31.96 2o3o s GLN 159 CO 0.55 -0.44 1.16 0.15 -1.32 0.00 0.00 175.29 175.39 2o3o s LYS 160 N -2.70 3.44 -0.09 9.60 1.02 -1.26 -4.96 119.74 124.79 2o3o s LYS 160 Ca -0.02 1.71 0.13 0.00 0.02 0.00 0.00 55.97 57.80 2o3o s LYS 160 Cb -0.01 -2.13 0.39 0.00 -0.52 0.00 0.00 37.83 35.56 2o3o s LYS 160 CO -0.04 -0.80 1.31 0.25 -0.92 0.00 0.00 175.35 175.14 2o3o n THR 161 N -1.07 1.67 0.22 2.17 -2.24 -1.26 -4.68 114.28 109.10 2o3o n THR 161 Ca 0.10 -1.50 0.12 0.00 -2.27 0.00 0.00 64.05 60.50 2o3o n THR 161 Cb 0.50 0.09 0.25 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 1.65 0.00 -5.23 3.42 3.32 -1.94 -3.48 116.42 114.16 2o3o h ASP 162 Ca 0.00 0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.31 2o3o h ASP 162 Cb 1.07 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.49 2o3o h ASP 162 CO 0.11 0.06 0.72 0.54 -1.72 0.00 0.00 179.24 178.95 2o3o s ASN 163 N -6.15 -0.13 0.55 6.45 6.03 -1.26 -5.03 114.94 115.40 2o3o s ASN 163 Ca 0.05 -0.15 0.32 0.00 -1.03 0.00 0.00 52.86 52.06 2o3o s ASN 163 Cb 0.06 0.25 1.55 0.00 -3.03 0.00 0.00 41.25 40.08 2o3o s ASN 163 CO 0.66 -0.44 2.08 -0.65 -2.03 0.00 0.00 177.10 176.71 2o3o h PRO 164 N 2.00 0.00 -1.00 3.55 0.11 -1.95 -2.85 132.00 131.86 2o3o h PRO 164 Ca -0.23 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.00 2o3o h PRO 164 Cb 1.20 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 2o3o h PRO 164 CO 0.27 0.08 0.63 0.77 -0.21 0.00 0.00 178.00 179.53 2o3o h SER 165 N 0.00 0.91 -3.23 -2.05 0.02 -1.98 -3.43 113.55 103.79 2o3o h SER 165 Ca -0.00 0.05 -0.76 0.00 -0.84 0.00 0.00 61.79 60.24 2o3o h SER 165 Cb 0.37 -0.13 -0.24 0.00 0.14 0.00 0.00 62.40 62.55 2o3o h SER 165 CO 0.01 0.47 0.52 0.20 -1.14 0.00 0.00 176.83 176.90 2o3o s ASN 166 N -5.68 6.93 0.00 3.07 0.01 -1.08 -5.13 114.94 113.07 2o3o s ASN 166 Ca -0.12 -2.84 0.00 0.00 -0.71 0.00 0.00 52.86 49.19 2o3o s ASN 166 Cb 0.22 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.61 2o3o s ASN 166 CO 0.81 -0.62 0.00 2.30 -1.51 0.00 0.00 177.10 178.08 2o3o n ILE 168 N 4.04 0.00 -2.73 0.60 -5.35 -1.26 -4.34 119.36 110.32 2o3o n ILE 168 Ca 0.22 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.63 2o3o n ILE 168 Cb 0.45 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 38.39 2o3o n ILE 168 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o3o n GLY 169 N 0.00 -0.49 3.30 3.28 0.00 -1.26 -4.10 105.19 105.92 2o3o n GLY 169 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 2o3o n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o3o s GLN 170 N 0.64 1.24 -0.08 1.61 -0.21 -1.20 -0.44 119.66 121.21 2o3o s GLN 170 Ca 0.30 -1.60 0.02 0.00 0.02 0.00 0.00 55.36 54.10 2o3o s GLN 170 Cb 0.18 -0.60 0.02 0.00 1.00 0.00 0.00 33.01 33.61 2o3o s GLN 170 CO -0.18 -0.05 -0.12 0.08 -2.12 0.00 0.00 175.29 172.91 2o3o s VAL 171 N -3.41 1.14 -0.15 1.09 1.01 -0.71 -1.11 120.40 118.27 2o3o s VAL 171 Ca 0.25 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2o3o s VAL 171 Cb 0.05 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2o3o s VAL 171 CO 0.06 0.36 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 2o3o s VAL 172 N 0.89 2.19 -0.17 2.92 1.01 0.28 -0.56 120.40 126.96 2o3o s VAL 172 Ca -0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 2o3o s VAL 172 Cb -0.15 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2o3o s VAL 172 CO 0.01 0.54 0.15 -0.76 0.00 0.00 0.00 175.10 175.03 2o3o s LEU 173 N 0.89 4.26 -0.12 3.92 1.43 0.16 -0.47 118.68 128.76 2o3o s LEU 173 Ca -0.05 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2o3o s LEU 173 Cb -0.15 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2o3o s LEU 173 CO -0.03 0.24 0.09 -1.00 0.23 0.00 0.00 176.35 175.88 2o3o s HIS 174 N -0.04 3.44 0.08 0.29 3.76 -0.41 -1.06 115.29 121.35 2o3o s HIS 174 Ca 0.11 0.39 0.10 0.00 -0.15 0.00 0.00 55.06 55.50 2o3o s HIS 174 Cb -0.11 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 2o3o s HIS 174 CO 0.00 0.60 -0.26 -0.51 -0.85 0.00 0.00 174.74 173.73 2o3o s LEU 175 N -0.85 2.23 0.02 0.89 1.43 -0.88 -0.07 118.68 121.46 2o3o s LEU 175 Ca 0.13 -0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 2o3o s LEU 175 Cb -0.12 -1.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.89 2o3o s LEU 175 CO 0.03 0.21 0.14 0.21 0.23 0.00 0.00 176.35 177.17 2o3o s ASN 176 N -1.54 0.07 0.00 2.29 2.47 -0.99 -4.89 114.94 112.36 2o3o s ASN 176 Ca 0.12 -0.35 0.00 0.00 0.42 0.00 0.00 52.86 53.05 2o3o s ASN 176 Cb -0.10 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.94 2o3o s ASN 176 CO 0.03 -0.47 0.00 0.61 -3.72 0.00 0.00 177.10 173.56 2o3o n GLY 177 N 1.02 0.94 2.97 1.21 0.00 -1.26 -2.75 105.19 107.31 2o3o n GLY 177 Ca -0.20 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 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 2.21 -1.28 1.61 1.02 -1.26 -4.92 119.74 117.12 2o3o s LYS 178 Ca 0.00 -2.78 -0.01 0.00 0.02 0.00 0.00 55.97 53.19 2o3o s LYS 178 Cb 0.00 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2o3o s LYS 178 CO 0.00 -1.16 0.73 0.09 -0.92 0.00 0.00 175.35 174.09 2o3o n ASN 179 N 2.90 -1.59 -4.42 2.83 3.02 -1.26 -4.61 115.26 112.13 2o3o n ASN 179 Ca 0.09 -0.81 -0.37 0.00 -0.03 0.00 0.00 54.58 53.46 2o3o n ASN 179 Cb 0.34 -4.16 -0.12 0.00 -0.61 0.00 0.00 39.78 35.23 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 -5.87 3.46 -0.01 3.52 2.02 -1.11 0.17 118.70 120.89 2o3o s GLU 180 Ca 0.04 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.11 2o3o s GLU 180 Cb -0.01 -3.40 -0.07 0.00 0.10 0.00 0.00 34.13 30.75 2o3o s GLU 180 CO 0.80 -0.30 1.73 0.08 0.02 0.00 0.00 175.26 177.60 2o3o s VAL 181 N 1.59 3.33 -0.19 2.63 1.01 0.55 -2.34 120.40 126.98 2o3o s VAL 181 Ca 0.05 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 2o3o s VAL 181 Cb -0.16 -3.32 -0.21 0.00 0.00 0.00 0.00 36.38 32.69 2o3o s VAL 181 CO 0.04 -0.03 0.07 0.52 0.00 0.00 0.00 175.10 175.70 2o3o n VAL 182 N 5.33 1.63 -3.85 2.92 0.31 0.90 -1.60 118.33 123.98 2o3o n VAL 182 Ca 0.18 -0.57 -0.08 0.00 -0.01 0.00 0.00 64.34 63.86 2o3o n VAL 182 Cb 0.42 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 -6.85 -0.05 0.06 4.52 1.04 -1.23 -1.98 113.70 109.21 2o3o s SER 183 Ca -0.29 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 55.08 2o3o s SER 183 Cb 0.08 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2o3o s SER 183 CO 0.67 -1.53 0.20 -0.72 0.98 0.00 0.00 173.24 172.85 2o3o s TYR 184 N -3.00 0.08 -0.03 5.02 -0.85 -1.26 -1.29 117.35 116.02 2o3o s TYR 184 Ca 0.15 -0.37 0.02 0.00 -0.52 0.00 0.00 57.07 56.34 2o3o s TYR 184 Cb -0.05 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.23 2o3o s TYR 184 CO 0.10 -0.48 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.07 2o3o s ASP 185 N -2.40 4.66 -0.10 -0.18 1.01 0.38 -4.15 116.67 115.89 2o3o s ASP 185 Ca -0.01 -0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.12 2o3o s ASP 185 Cb 0.01 -1.14 0.04 0.00 1.01 0.00 0.00 42.92 42.85 2o3o s ASP 185 CO -0.07 0.32 0.24 -1.58 0.21 0.00 0.00 175.17 174.30 2o3o s GLN 186 N -1.11 0.21 0.20 8.23 0.74 -0.89 -0.55 119.66 126.49 2o3o s GLN 186 Ca 0.15 0.52 0.09 0.00 0.05 0.00 0.00 55.36 56.16 2o3o s GLN 186 Cb -0.11 -0.11 -0.05 0.00 1.10 0.00 0.00 33.01 33.85 2o3o s GLN 186 CO 0.04 -0.16 -0.17 0.95 -0.55 0.00 0.00 175.29 175.41 2o3o s THR 187 N 1.20 1.89 -0.13 -0.34 -4.23 -0.27 -0.57 115.64 113.19 2o3o s THR 187 Ca -0.09 -2.13 -0.11 0.00 -1.18 0.00 0.00 61.69 58.18 2o3o s THR 187 Cb -0.10 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.77 2o3o s THR 187 CO -0.08 -0.46 0.34 -0.89 -0.54 0.00 0.00 174.62 172.99 2o3o s THR 188 N -2.55 -0.00 0.01 3.99 2.01 -1.26 -3.26 115.64 114.57 2o3o s THR 188 Ca 0.21 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.16 2o3o s THR 188 Cb -0.03 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 2o3o s THR 188 CO 0.08 0.01 0.27 -0.76 -0.69 0.00 0.00 174.62 173.53 2o3o s LEU 189 N 0.34 4.37 0.17 4.42 1.43 -1.26 -1.14 118.68 127.01 2o3o s LEU 189 Ca -0.01 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2o3o s LEU 189 Cb -0.03 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2o3o s LEU 189 CO -0.01 0.25 0.10 -1.83 0.23 0.00 0.00 176.35 175.10 2o3o s GLU 190 N -1.75 1.09 -1.15 1.70 -1.05 0.58 -4.88 118.70 113.25 2o3o s GLU 190 Ca 0.27 -1.55 -0.04 0.00 -0.15 0.00 0.00 54.97 53.50 2o3o s GLU 190 Cb -0.13 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2o3o s GLU 190 CO 0.16 -0.34 0.92 2.41 0.95 0.00 0.00 175.26 179.35 2o3o n THR 191 N -0.20 -7.11 -1.92 1.83 -1.04 -1.26 -0.33 114.28 104.24 2o3o n THR 191 Ca -0.01 -0.88 -0.39 0.00 -2.04 0.00 0.00 64.05 60.73 2o3o n THR 191 Cb 0.65 -5.43 0.01 0.00 -1.82 0.00 0.00 70.33 63.74 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 -3.42 2.57 -0.09 -1.42 0.40 -1.26 -4.25 117.98 110.51 2o3o s PHE 192 Ca 0.22 1.37 -0.03 0.00 -0.60 0.00 0.00 56.93 57.88 2o3o s PHE 192 Cb -0.04 -3.75 0.05 0.00 0.51 0.00 0.00 43.02 39.79 2o3o s PHE 192 CO 0.75 -2.51 0.17 -1.59 0.70 0.00 0.00 175.22 172.74 2o3o s LYS 193 N -2.54 0.07 -0.63 0.44 -2.85 -0.68 -4.99 119.74 108.56 2o3o s LYS 193 Ca 0.63 0.53 -0.28 0.00 -1.00 0.00 0.00 55.97 55.85 2o3o s LYS 193 Cb -0.39 -0.21 0.03 0.00 -2.06 0.00 0.00 37.83 35.19 2o3o s LYS 193 CO 0.49 -0.26 1.20 -0.65 0.10 0.00 0.00 175.35 176.24 2o3o s GLN 194 N 1.95 3.40 -0.01 1.78 -0.21 -1.26 -2.06 119.66 123.24 2o3o s GLN 194 Ca -0.01 0.05 0.12 0.00 0.02 0.00 0.00 55.36 55.54 2o3o s GLN 194 Cb -0.12 -4.07 -0.22 0.00 1.00 0.00 0.00 33.01 29.60 2o3o s GLN 194 CO -0.06 -1.82 0.78 -0.84 -2.12 0.00 0.00 175.29 171.23 2o3o h ILE 195 N 6.11 0.98 -2.60 1.08 3.07 -1.74 -3.47 117.51 120.94 2o3o h ILE 195 Ca -0.26 -2.80 -0.11 0.00 1.55 0.00 0.00 64.86 63.24 2o3o h ILE 195 Cb 1.06 2.48 -0.27 0.00 -0.27 0.00 0.00 36.82 39.81 2o3o h ILE 195 CO 1.21 0.56 -0.33 -1.58 -1.05 0.00 0.00 178.15 176.96 2o3o s GLN 196 N -2.63 0.36 0.07 0.16 0.74 -1.23 -5.01 119.66 112.12 2o3o s GLN 196 Ca -0.04 0.88 -0.21 0.00 0.05 0.00 0.00 55.36 56.05 2o3o s GLN 196 Cb 0.08 0.10 -0.06 0.00 1.10 0.00 0.00 33.01 34.23 2o3o s GLN 196 CO 0.82 -0.20 0.61 0.21 -0.55 0.00 0.00 175.29 176.19 2o3o s LYS 197 N 1.87 4.29 0.02 1.67 2.20 -1.26 -1.04 119.74 127.48 2o3o s LYS 197 Ca -0.06 0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 56.29 2o3o s LYS 197 Cb -0.10 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 2o3o s LYS 197 CO -0.13 0.56 0.10 -1.21 -0.36 0.00 0.00 175.35 174.31 2o3o s GLU 198 N -0.86 0.50 0.30 4.03 2.02 0.16 -4.98 118.70 119.86 2o3o s GLU 198 Ca 0.31 -0.55 -0.29 0.00 0.02 0.00 0.00 54.97 54.45 2o3o s GLU 198 Cb -0.20 0.20 -0.10 0.00 0.10 0.00 0.00 34.13 34.14 2o3o s GLU 198 CO 0.20 -0.12 1.15 0.45 0.02 0.00 0.00 175.26 176.96 2o3o s SER 199 N -1.66 7.10 0.23 -0.19 0.15 -1.26 -1.19 113.70 116.88 2o3o s SER 199 Ca -0.12 2.37 0.09 0.00 0.70 0.00 0.00 55.95 58.99 2o3o s SER 199 Cb -0.06 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2o3o s SER 199 CO -0.01 -0.27 -0.01 -0.76 1.20 0.00 0.00 173.24 173.39 2o3o s LEU 200 N -1.61 3.21 0.58 3.45 1.43 -0.87 -3.48 118.68 121.39 2o3o s LEU 200 Ca 0.46 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 2o3o s LEU 200 Cb -0.34 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2o3o s LEU 200 CO 0.43 0.04 1.01 0.27 0.23 0.00 0.00 176.35 178.34 2o3o s ILE 201 N -2.08 4.57 0.78 -0.59 -4.36 -0.25 -4.32 121.20 114.94 2o3o s ILE 201 Ca 0.29 1.01 -0.10 0.00 -0.26 0.00 0.00 60.65 61.59 2o3o s ILE 201 Cb -0.07 -3.77 0.08 0.00 1.25 0.00 0.00 42.46 39.95 2o3o s ILE 201 CO 0.19 -0.92 1.12 0.42 0.24 0.00 0.00 174.94 175.99 2o3o s THR 202 N -2.92 2.10 -0.17 8.37 -4.23 -1.26 -4.73 115.64 112.80 2o3o s THR 202 Ca 0.57 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 2o3o s THR 202 Cb -0.11 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.73 2o3o s THR 202 CO 0.44 0.00 0.13 -0.62 -0.54 0.00 0.00 174.62 174.03 2o3o n GLU 203 N -3.19 0.14 0.00 3.99 1.02 -1.09 -2.00 120.64 119.52 2o3o n GLU 203 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2o3o n GLU 203 Cb 0.61 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.84 0.00 -0.25 1.62 8.00 -1.26 -2.71 116.55 122.79 2o3o n ASP 205 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 2o3o n ASP 205 Cb 0.07 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.89 -0.37 2.24 0.00 -1.76 -1.28 119.26 118.98 2o3o h ALA 206 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2o3o h ALA 206 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2o3o h ALA 206 CO 0.00 0.39 0.17 0.28 0.00 0.00 0.00 179.25 180.09 2o3o h VAL 207 N 0.95 1.17 -0.51 0.00 2.07 -1.81 -1.82 116.25 116.31 2o3o h VAL 207 Ca 0.24 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2o3o h VAL 207 Cb 0.02 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2o3o h VAL 207 CO -0.04 0.19 0.31 -0.33 0.02 0.00 0.00 177.57 177.71 2o3o h GLU 208 N 0.46 0.68 -0.04 1.57 5.08 -1.80 -1.71 114.58 118.82 2o3o h GLU 208 Ca 0.13 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2o3o h GLU 208 Cb 0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2o3o h GLU 208 CO -0.01 0.48 -0.48 1.25 -1.00 0.00 0.00 179.01 179.25 2o3o h LEU 209 N 0.70 0.11 -0.11 1.33 5.85 -0.52 -0.71 115.31 121.95 2o3o h LEU 209 Ca 0.18 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 2o3o h LEU 209 Cb -0.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2o3o h LEU 209 CO -0.04 0.57 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.30 2o3o h LEU 210 N 0.08 0.42 -0.56 2.25 3.38 -0.77 -2.62 115.31 117.48 2o3o h LEU 210 Ca 0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2o3o h LEU 210 Cb 0.87 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2o3o h LEU 210 CO 0.07 0.92 0.36 0.22 0.09 0.00 0.00 178.44 180.10 2o3o h TYR 211 N -0.07 0.72 -0.26 1.13 3.20 -1.14 -2.20 116.97 118.35 2o3o h TYR 211 Ca -0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 2o3o h TYR 211 Cb 0.87 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 2o3o h TYR 211 CO 0.11 0.47 -0.17 -0.92 -1.64 0.00 0.00 178.16 176.02 2o3o h TYR 212 N 0.76 -0.42 0.00 -3.82 3.20 -1.21 -2.00 116.97 113.48 2o3o h TYR 212 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2o3o h TYR 212 Cb -0.06 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2o3o h TYR 212 CO -0.03 -0.24 0.00 1.04 -1.64 0.00 0.00 178.16 177.29 2o3o n GLN 213 N -5.33 0.82 -1.63 1.82 6.02 -0.87 -4.83 117.38 113.38 2o3o n GLN 213 Ca -0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2o3o n GLN 213 Cb 0.24 -1.21 -0.01 0.00 1.02 0.00 0.00 30.24 30.28 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 -0.20 -2.66 -0.03 1.08 2.85 -0.75 -4.92 115.26 110.63 2o3o n ASN 214 Ca 0.00 0.04 0.01 0.00 -0.11 0.00 0.00 54.58 54.53 2o3o n ASN 214 Cb 0.11 -1.34 -0.14 0.00 1.24 0.00 0.00 39.78 39.64 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 -2.08 0.66 -3.42 1.20 1.13 -0.97 -4.90 117.38 109.00 2o3o n GLN 215 Ca -0.04 -0.03 -0.38 0.00 -1.94 0.00 0.00 57.00 54.61 2o3o n GLN 215 Cb 0.35 -1.59 -0.08 0.00 0.11 0.00 0.00 30.24 29.03 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 -5.17 4.14 0.51 1.08 1.43 -1.26 -5.03 118.68 114.39 2o3o s LEU 216 Ca -0.07 0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 53.36 2o3o s LEU 216 Cb 0.10 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2o3o s LEU 216 CO 0.86 -0.07 0.89 -0.54 0.23 0.00 0.00 176.35 177.71 2o3o s LYS 217 N 1.37 3.67 0.49 1.70 3.01 -1.26 -4.99 119.74 123.73 2o3o s LYS 217 Ca 0.17 0.55 -0.22 0.00 -1.01 0.00 0.00 55.97 55.45 2o3o s LYS 217 Cb -0.15 -2.25 -0.08 0.00 -1.01 0.00 0.00 37.83 34.35 2o3o s LYS 217 CO 0.08 -0.30 1.11 0.39 0.51 0.00 0.00 175.35 177.14 2o3o n GLU 218 N -2.11 1.40 -3.52 1.68 1.02 -1.26 -3.21 120.64 114.64 2o3o n GLU 218 Ca 0.04 0.51 -0.20 0.00 -0.02 0.00 0.00 57.16 57.49 2o3o n GLU 218 Cb 0.54 -2.24 0.06 0.00 -0.02 0.00 0.00 31.44 29.78 2o3o n GLU 218 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2o3o n TYR 219 N -0.88 -2.11 -4.41 -0.32 4.02 -0.13 -4.83 117.16 108.50 2o3o n TYR 219 Ca 0.10 0.84 -0.24 0.00 -0.01 0.00 0.00 57.90 58.59 2o3o n TYR 219 Cb 0.43 -4.48 -0.09 0.00 -0.02 0.00 0.00 39.34 35.18 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 -4.08 3.95 0.07 7.72 1.04 -1.20 -4.71 113.70 116.49 2o3o s SER 220 Ca 0.14 -0.89 0.07 0.00 0.48 0.00 0.00 55.95 55.75 2o3o s SER 220 Cb -0.03 -0.50 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 2o3o s SER 220 CO 0.78 0.02 -0.19 -0.89 0.98 0.00 0.00 173.24 173.94 2o3o s THR 221 N -2.44 1.51 -0.46 2.02 2.01 -0.83 -2.71 115.64 114.74 2o3o s THR 221 Ca 0.31 -1.31 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 2o3o s THR 221 Cb -0.05 -1.36 0.07 0.00 0.01 0.00 0.00 72.50 71.16 2o3o s THR 221 CO 0.17 0.01 0.37 -0.69 -0.69 0.00 0.00 174.62 173.79 2o3o s VAL 222 N -1.01 5.13 0.00 3.82 1.01 -1.08 -1.72 120.40 126.54 2o3o s VAL 222 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2o3o s VAL 222 Cb -0.09 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2o3o s VAL 222 CO 0.03 -0.54 0.10 0.29 0.00 0.00 0.00 175.10 174.98 2o3o n LYS 223 N 5.17 0.00 -3.70 2.72 4.76 -0.34 -4.84 118.16 121.93 2o3o n LYS 223 Ca -0.12 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.03 2o3o n LYS 223 Cb 0.44 -0.51 -0.04 0.00 -1.84 0.00 0.00 35.03 33.08 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 -1.28 6.41 -0.40 4.39 1.04 -1.24 -4.95 113.70 117.68 2o3o s SER 224 Ca 0.00 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.89 2o3o s SER 224 Cb 0.00 -2.03 0.15 0.00 0.10 0.00 0.00 66.02 64.24 2o3o s SER 224 CO 0.00 -0.01 0.26 0.00 0.98 0.00 0.00 173.24 174.48 2o3o s LYS 226 N 0.54 3.65 0.24 0.00 -0.14 0.53 -4.88 119.74 119.69 2o3o s LYS 226 Ca 0.22 0.00 -0.09 0.00 -1.36 0.00 0.00 55.97 54.74 2o3o s LYS 226 Cb -0.15 -3.01 -0.07 0.00 -1.68 0.00 0.00 37.83 32.92 2o3o s LYS 226 CO -0.06 0.58 0.56 0.12 -0.76 0.00 0.00 175.35 175.79 2o3o s PHE 227 N -1.41 3.43 0.00 3.18 2.19 -1.26 0.66 117.98 124.77 2o3o s PHE 227 Ca 0.32 0.85 0.00 0.00 0.33 0.00 0.00 56.93 58.43 2o3o s PHE 227 Cb -0.13 -2.25 0.00 0.00 -1.31 0.00 0.00 43.02 39.33 2o3o s PHE 227 CO 0.19 0.25 0.00 0.41 1.83 0.00 0.00 175.22 177.89 2o3o n GLY 228 N -0.27 1.63 3.15 13.12 0.00 -0.77 -4.40 105.19 117.65 2o3o n GLY 228 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.67 0.29 0.18 1.61 1.51 -0.61 -1.46 117.35 117.19 2o3o s TYR 229 Ca 0.00 -0.74 0.03 0.00 -1.01 0.00 0.00 57.07 55.35 2o3o s TYR 229 Cb 0.00 -0.19 -0.05 0.00 -0.11 0.00 0.00 41.96 41.61 2o3o s TYR 229 CO 0.00 -0.45 -0.03 0.14 -1.11 0.00 0.00 175.55 174.10 2o3o s VAL 230 N -3.64 0.89 -0.41 0.71 -7.23 -0.42 -0.31 120.40 110.00 2o3o s VAL 230 Ca 0.04 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.91 2o3o s VAL 230 Cb 0.05 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.92 2o3o s VAL 230 CO -0.09 -0.52 1.13 0.00 -0.31 0.00 0.00 175.10 175.30 2o3o s ALA 231 N -3.51 3.29 0.01 1.32 0.00 -1.26 -1.00 121.76 120.60 2o3o s ALA 231 Ca 0.23 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 2o3o s ALA 231 Cb 0.05 -3.81 -0.12 0.00 0.00 0.00 0.00 23.12 19.24 2o3o s ALA 231 CO 0.04 -1.95 1.01 1.96 0.00 0.00 0.00 175.76 176.81 2o3o h GLN 232 N 8.83 -0.77 -3.88 0.00 4.20 -1.27 -3.48 115.11 118.74 2o3o h GLN 232 Ca -0.22 0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 2o3o h GLN 232 Cb 1.06 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.90 2o3o h GLN 232 CO 1.09 -0.51 -0.27 1.52 -0.67 0.00 0.00 178.83 179.98 2o3o s TYR 233 N -4.24 0.50 0.17 2.96 -0.85 -1.22 -5.04 117.35 109.62 2o3o s TYR 233 Ca -0.12 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.60 2o3o s TYR 233 Cb 0.01 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2o3o s TYR 233 CO 0.35 -0.83 0.34 -1.25 -1.52 0.00 0.00 175.55 172.64 2o3o s PRO 234 N -4.02 3.49 -0.05 -3.49 0.04 -1.26 -1.50 135.00 128.21 2o3o s PRO 234 Ca 0.23 -0.43 0.01 0.00 0.04 0.00 0.00 61.00 60.85 2o3o s PRO 234 Cb 0.02 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.68 2o3o s PRO 234 CO 0.06 0.46 -0.05 -0.51 0.04 0.00 0.00 177.00 177.00 2o3o s LEU 235 N -3.20 1.33 0.00 -3.56 1.43 0.22 -4.94 118.68 109.96 2o3o s LEU 235 Ca 0.37 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2o3o s LEU 235 Cb -0.11 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.59 2o3o s LEU 235 CO 0.29 -0.05 0.00 0.41 0.23 0.00 0.00 176.35 177.22 2o3o n THR 236 N 4.12 0.00 -1.88 5.49 -1.04 -1.26 0.83 114.28 120.53 2o3o n THR 236 Ca -0.23 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.59 2o3o n THR 236 Cb 0.51 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.08 2o3o n THR 236 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2o3o n SER 237 N 1.79 4.49 -3.79 8.00 2.88 -1.26 -5.01 113.62 120.72 2o3o n SER 237 Ca 0.00 -3.78 -0.12 0.00 -1.33 0.00 0.00 58.87 53.64 2o3o n SER 237 Cb 0.00 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 62.95 2o3o n SER 237 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2o3o s THR 238 N -4.34 0.08 -0.09 2.46 2.01 0.24 -2.14 115.64 113.86 2o3o s THR 238 Ca 0.50 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2o3o s THR 238 Cb 0.41 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 72.16 2o3o s THR 238 CO 0.02 -0.37 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.35 2o3o s GLN 239 N -2.05 1.87 -0.20 4.92 -1.52 -0.22 -0.61 119.66 121.84 2o3o s GLN 239 Ca -0.09 -0.44 -0.21 0.00 -1.95 0.00 0.00 55.36 52.68 2o3o s GLN 239 Cb -0.03 -1.64 -0.02 0.00 -0.22 0.00 0.00 33.01 31.10 2o3o s GLN 239 CO -0.01 -0.07 0.63 0.08 -0.25 0.00 0.00 175.29 175.67 2o3o s VAL 240 N 1.02 5.02 -0.04 1.09 1.01 -0.56 -1.60 120.40 126.34 2o3o s VAL 240 Ca -0.07 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2o3o s VAL 240 Cb -0.15 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2o3o s VAL 240 CO -0.01 0.10 -0.06 -0.76 0.00 0.00 0.00 175.10 174.37 2o3o s LEU 241 N 1.98 3.19 0.01 3.92 1.43 0.37 -0.72 118.68 128.85 2o3o s LEU 241 Ca 0.28 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2o3o s LEU 241 Cb -0.16 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2o3o s LEU 241 CO 0.10 0.33 -0.08 0.00 0.23 0.00 0.00 176.35 176.93 2o3o s ALA 242 N -0.89 0.65 0.60 4.21 0.00 -0.17 -1.22 121.76 124.94 2o3o s ALA 242 Ca 0.14 -0.44 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 2o3o s ALA 242 Cb -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2o3o s ALA 242 CO 0.04 0.13 1.23 -1.25 0.00 0.00 0.00 175.76 175.90 2o3o s PRO 243 N -0.50 2.90 0.17 0.00 0.04 -1.26 -1.30 135.00 135.05 2o3o s PRO 243 Ca 0.01 1.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 2o3o s PRO 243 Cb -0.04 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2o3o s PRO 243 CO 0.00 -1.28 0.29 0.14 0.04 0.00 0.00 177.00 176.19 2o3o s VAL 244 N -1.54 0.06 -0.18 -0.36 -7.23 -0.54 -2.61 120.40 108.00 2o3o s VAL 244 Ca 0.78 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2o3o s VAL 244 Cb -0.32 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2o3o s VAL 244 CO 0.35 -0.27 -0.10 0.26 -0.31 0.00 0.00 175.10 175.03 2o3o s TRP 245 N -3.98 2.87 -0.20 2.82 0.52 0.14 -1.84 118.94 119.27 2o3o s TRP 245 Ca 0.18 -0.96 -0.20 0.00 0.02 0.00 0.00 56.10 55.14 2o3o s TRP 245 Cb 0.03 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 2o3o s TRP 245 CO 0.01 -0.47 0.60 1.03 0.02 0.00 0.00 176.95 178.13 2o3o s ARG 246 N 1.04 4.20 -0.14 4.98 1.81 0.21 -1.59 118.95 129.47 2o3o s ARG 246 Ca -0.00 0.56 0.02 0.00 -1.72 0.00 0.00 55.73 54.58 2o3o s ARG 246 Cb -0.15 -3.57 0.01 0.00 -0.45 0.00 0.00 34.95 30.79 2o3o s ARG 246 CO -0.02 -0.21 -0.20 0.42 -0.68 0.00 0.00 175.30 174.61 2o3o s ILE 247 N 1.83 1.92 -0.21 1.52 1.01 -0.37 -0.35 121.20 126.55 2o3o s ILE 247 Ca 0.27 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 2o3o s ILE 247 Cb -0.16 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2o3o s ILE 247 CO 0.10 0.52 0.11 -0.89 0.00 0.00 0.00 174.94 174.78 2o3o s THR 248 N 0.90 5.03 0.21 2.92 2.01 -0.92 -1.45 115.64 124.34 2o3o s THR 248 Ca -0.06 0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.11 2o3o s THR 248 Cb -0.15 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2o3o s THR 248 CO -0.03 0.40 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.43 2o3o s VAL 249 N 0.74 2.63 -0.01 3.82 1.01 -0.68 -1.20 120.40 126.69 2o3o s VAL 249 Ca 0.06 -2.02 -0.04 0.00 0.00 0.00 0.00 61.98 59.98 2o3o s VAL 249 Cb -0.13 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 2o3o s VAL 249 CO 0.02 -0.19 0.07 -1.83 0.00 0.00 0.00 175.10 173.18 2o3o s GLU 250 N -2.93 0.27 0.00 2.72 -1.05 -0.70 -1.57 118.70 115.45 2o3o s GLU 250 Ca 0.24 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2o3o s GLU 250 Cb -0.07 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 2o3o s GLU 250 CO 0.13 -0.05 0.00 2.48 0.95 0.00 0.00 175.26 178.76 2o3o n TYR 251 N 2.19 -0.74 -3.64 4.83 0.18 -1.08 -1.97 117.16 116.94 2o3o n TYR 251 Ca -0.18 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.35 2o3o n TYR 251 Cb 0.57 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.55 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 -1.33 2.24 0.06 -3.48 0.41 -1.26 -2.16 118.70 113.18 2o3o s GLU 252 Ca 0.00 -1.94 0.00 0.00 -0.41 0.00 0.00 54.97 52.62 2o3o s GLU 252 Cb 0.00 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2o3o s GLU 252 CO 0.00 -0.74 0.00 1.17 -0.49 0.00 0.00 175.26 175.20 2o3o n LYS 253 N -1.95 0.00 0.00 1.61 3.00 -1.26 -4.76 118.16 114.81 2o3o n LYS 253 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2o3o n LYS 253 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 2o3o n LYS 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2o3o n LYS 260 N -2.53 0.00 -3.69 1.64 5.02 -1.26 -5.16 118.16 112.18 2o3o n LYS 260 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2o3o n LYS 260 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 2o3o n LYS 260 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2o3o s THR 261 N 0.00 1.78 0.65 -0.18 2.01 -1.26 -4.89 115.64 113.75 2o3o s THR 261 Ca 0.00 -3.46 -0.12 0.00 0.31 0.00 0.00 61.69 58.42 2o3o s THR 261 Cb 0.00 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2o3o s THR 261 CO 0.00 -1.07 1.05 -0.69 -0.69 0.00 0.00 174.62 173.22 2o3o s VAL 262 N -0.66 4.06 -0.03 3.82 1.01 -0.92 -4.86 120.40 122.82 2o3o s VAL 262 Ca 0.27 0.76 0.07 0.00 0.00 0.00 0.00 61.98 63.08 2o3o s VAL 262 Cb -0.04 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2o3o s VAL 262 CO -0.15 -0.78 -0.25 -1.10 0.00 0.00 0.00 175.10 172.81 2o3o s GLN 263 N -4.76 2.21 0.03 2.72 -0.21 -1.26 -2.63 119.66 115.77 2o3o s GLN 263 Ca 0.59 -0.90 0.09 0.00 0.02 0.00 0.00 55.36 55.16 2o3o s GLN 263 Cb -0.14 -2.04 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 2o3o s GLN 263 CO 0.49 0.49 -0.26 -1.21 -2.12 0.00 0.00 175.29 172.68 2o3o s GLU 264 N -0.45 1.81 -0.07 2.91 2.02 -0.61 -5.00 118.70 119.31 2o3o s GLU 264 Ca 0.05 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 54.03 2o3o s GLU 264 Cb -0.11 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 2o3o s GLU 264 CO 0.01 0.51 -0.21 0.71 0.02 0.00 0.00 175.26 176.29 2o3o s TYR 265 N -0.77 2.55 -0.04 1.61 1.51 -1.26 -1.69 117.35 119.26 2o3o s TYR 265 Ca 0.11 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2o3o s TYR 265 Cb -0.10 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 2o3o s TYR 265 CO 0.02 -0.11 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.21 2o3o s PHE 266 N -0.23 0.89 -0.28 2.71 0.40 -0.53 -5.00 117.98 115.94 2o3o s PHE 266 Ca -0.01 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 2o3o s PHE 266 Cb -0.13 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.72 2o3o s PHE 266 CO 0.03 -0.16 0.02 0.99 0.70 0.00 0.00 175.22 176.80 2o3o s THR 267 N 0.58 3.45 -0.13 0.64 2.01 -1.26 -1.24 115.64 119.70 2o3o s THR 267 Ca -0.09 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 2o3o s THR 267 Cb -0.12 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2o3o s THR 267 CO 0.01 0.10 0.05 -0.69 -0.69 0.00 0.00 174.62 173.40 2o3o s VAL 268 N 1.41 4.72 0.36 3.82 1.01 -0.62 -4.95 120.40 126.15 2o3o s VAL 268 Ca 0.01 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 2o3o s VAL 268 Cb -0.17 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 2o3o s VAL 268 CO -0.01 0.55 1.36 0.21 0.00 0.00 0.00 175.10 177.21 2o3o s ASN 269 N -0.36 6.55 -0.01 3.32 3.04 -1.26 -0.69 114.94 125.52 2o3o s ASN 269 Ca 0.09 2.79 0.19 0.00 0.04 0.00 0.00 52.86 55.96 2o3o s ASN 269 Cb -0.12 -2.65 -0.25 0.00 -1.54 0.00 0.00 41.25 36.68 2o3o s ASN 269 CO 0.02 -0.70 0.57 0.00 -3.04 0.00 0.00 177.10 173.94 2o3o n ALA 270 N 0.56 3.42 -1.87 1.71 0.00 -1.07 -4.80 120.51 118.45 2o3o n ALA 270 Ca 0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.57 2o3o n ALA 270 Cb 0.41 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 -3.70 4.53 -0.14 0.00 1.43 -1.26 -1.09 118.68 118.44 2o3o s LEU 271 Ca -0.01 2.21 0.16 0.00 -1.03 0.00 0.00 54.13 55.46 2o3o s LEU 271 Cb 0.13 -3.62 0.68 0.00 0.03 0.00 0.00 46.19 43.41 2o3o s LEU 271 CO 0.77 -0.18 1.59 1.21 0.23 0.00 0.00 176.35 179.97 2o3o n GLU 272 N 1.66 3.80 -3.27 1.70 2.13 -1.23 -4.84 120.64 120.60 2o3o n GLU 272 Ca 0.00 -2.88 -0.35 0.00 0.66 0.00 0.00 57.16 54.59 2o3o n GLU 272 Cb 0.45 -1.92 -0.06 0.00 0.27 0.00 0.00 31.44 30.18 2o3o n GLU 272 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2o3o s SER 273 N -1.07 6.89 0.00 4.31 1.04 -1.26 -4.91 113.70 118.70 2o3o s SER 273 Ca 0.48 1.18 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2o3o s SER 273 Cb 0.33 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2o3o s SER 273 CO 0.19 0.07 0.00 0.35 0.98 0.00 0.00 173.24 174.83 2o3o n THR 274 N 0.73 0.00 -3.05 2.02 -2.24 -1.26 -5.09 114.28 105.40 2o3o n THR 274 Ca -0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 2o3o n THR 274 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 2o3o n THR 274 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2o3o s ILE 275 N -1.92 4.71 0.67 2.28 1.01 -1.26 -5.05 121.20 121.64 2o3o s ILE 275 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 2o3o s ILE 275 Cb 0.00 -4.37 0.04 0.00 0.01 0.00 0.00 42.46 38.14 2o3o s ILE 275 CO 0.00 -0.88 0.99 -0.76 0.00 0.00 0.00 174.94 174.28 2o3o s LEU 276 N 3.08 2.96 0.16 2.97 1.43 -1.26 -5.00 118.68 123.01 2o3o s LEU 276 Ca 0.21 0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 53.61 2o3o s LEU 276 Cb -0.16 -3.33 -0.10 0.00 0.03 0.00 0.00 46.19 42.63 2o3o s LEU 276 CO 0.15 -1.40 1.52 -0.62 0.23 0.00 0.00 176.35 176.22 2o3o s ASP 277 N -4.43 6.65 -0.10 2.29 -1.08 -1.26 -5.01 116.67 113.72 2o3o s ASP 277 Ca 0.58 2.55 0.01 0.00 -0.52 0.00 0.00 52.55 55.17 2o3o s ASP 277 Cb -0.11 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.78 2o3o s ASP 277 CO 0.46 -0.78 -0.13 -0.89 0.52 0.00 0.00 175.17 174.35 2o3o s THR 278 N 1.06 1.32 -0.37 1.71 2.01 -1.26 -5.09 115.64 115.02 2o3o s THR 278 Ca 0.68 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 2o3o s THR 278 Cb -0.42 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2o3o s THR 278 CO 0.32 0.41 2.09 -1.81 -0.69 0.00 0.00 174.62 174.94 2o3o s ASP 279 N 1.12 5.30 0.00 3.53 1.11 -1.26 -5.33 116.67 121.14 2o3o s ASP 279 Ca -0.05 1.30 0.00 0.00 0.18 0.00 0.00 52.55 53.98 2o3o s ASP 279 Cb -0.14 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2o3o s ASP 279 CO -0.03 -2.17 0.00 0.00 1.18 0.00 0.00 175.17 174.15