#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3o h GLU 35 N 0.00 0.00 -0.05 1.64 4.57 -2.06 -1.96 114.58 116.72 2o3o h GLU 35 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2o3o h GLU 35 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2o3o h GLU 35 CO 0.00 0.00 -0.34 0.10 -1.18 0.00 0.00 179.01 177.59 2o3o h TYR 36 N 0.00 0.12 -0.85 0.92 -0.00 -2.05 -2.92 116.97 112.20 2o3o h TYR 36 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.68 2o3o h TYR 36 Cb 0.83 -0.03 -0.04 0.00 0.00 0.00 0.00 36.73 37.49 2o3o h TYR 36 CO 0.00 0.43 0.44 1.49 -0.00 0.00 0.00 178.16 180.52 2o3o h GLU 37 N 0.09 1.20 0.40 0.10 4.57 -1.78 0.46 114.58 119.61 2o3o h GLU 37 Ca 0.01 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2o3o h GLU 37 Cb 0.65 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2o3o h GLU 37 CO 0.05 0.90 -0.36 0.28 -1.18 0.00 0.00 179.01 178.69 2o3o h VAL 38 N 1.19 0.26 -0.48 0.32 2.07 -1.56 -2.67 116.25 115.38 2o3o h VAL 38 Ca 0.29 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.72 2o3o h VAL 38 Cb 0.07 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2o3o h VAL 38 CO -0.04 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.86 2o3o h ILE 39 N -0.77 1.27 -0.93 4.57 1.08 -1.26 -0.50 117.51 120.97 2o3o h ILE 39 Ca -0.03 -1.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.26 2o3o h ILE 39 Cb 0.68 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 2o3o h ILE 39 CO -0.04 0.42 0.60 0.11 -0.69 0.00 0.00 178.15 178.55 2o3o h LYS 40 N 0.76 1.14 0.00 2.37 1.57 -0.14 -1.05 116.57 121.22 2o3o h LYS 40 Ca 0.13 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2o3o h LYS 40 Cb 0.63 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2o3o h LYS 40 CO 0.04 0.76 -0.19 -2.95 -0.57 0.00 0.00 179.45 176.53 2o3o h ASN 41 N 1.18 0.00 0.30 0.86 -1.07 -1.04 0.20 115.58 116.01 2o3o h ASN 41 Ca 0.37 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.72 2o3o h ASN 41 Cb -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 2o3o h ASN 41 CO -0.11 0.19 -0.14 0.44 0.07 0.00 0.00 177.43 177.88 2o3o h ASP 42 N 0.00 -0.34 -0.94 6.14 3.32 -0.44 -2.68 116.42 121.48 2o3o h ASP 42 Ca -0.00 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 56.98 2o3o h ASP 42 Cb 1.04 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 2o3o h ASP 42 CO 0.03 -0.02 0.59 0.58 -1.72 0.00 0.00 179.24 178.69 2o3o h VAL 43 N -0.68 1.00 -0.81 -1.35 2.07 -1.00 -0.99 116.25 114.48 2o3o h VAL 43 Ca -0.04 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.21 2o3o h VAL 43 Cb 0.48 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 2o3o h VAL 43 CO 0.07 0.18 0.48 -0.08 0.02 0.00 0.00 177.57 178.24 2o3o h GLU 44 N 1.01 0.82 -0.09 1.57 4.57 -0.58 -3.00 114.58 118.89 2o3o h GLU 44 Ca 0.43 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.39 2o3o h GLU 44 Cb 0.29 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2o3o h GLU 44 CO -0.21 0.54 -0.62 0.45 -1.18 0.00 0.00 179.01 177.99 2o3o h HIS 45 N 0.85 0.81 0.00 0.92 3.86 -0.99 -2.74 115.15 117.86 2o3o h HIS 45 Ca 0.37 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2o3o h HIS 45 Cb 0.25 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2o3o h HIS 45 CO -0.05 1.18 0.00 -0.25 0.86 0.00 0.00 177.93 179.66 2o3o n ASP 46 N -4.13 0.00 0.00 2.45 10.43 -0.46 -0.19 116.55 124.65 2o3o n ASP 46 Ca -0.08 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.28 2o3o n ASP 46 Cb 0.67 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.63 2o3o n ASP 46 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2o3o n LYS 48 N 0.68 0.00 -0.36 -1.24 4.01 -1.03 -1.59 118.16 118.62 2o3o n LYS 48 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 2o3o n LYS 48 Cb 0.00 0.00 0.22 0.00 -0.51 0.00 0.00 35.03 34.74 2o3o n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2o3o h ALA 49 N 0.00 1.46 -0.51 7.82 0.00 -0.88 -2.14 119.26 125.00 2o3o h ALA 49 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2o3o h ALA 49 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2o3o h ALA 49 CO 0.00 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 2o3o n ASP 50 N -4.61 3.36 -3.58 0.00 8.00 -0.62 -4.95 116.55 114.15 2o3o n ASP 50 Ca 0.18 -2.19 -0.21 0.00 0.71 0.00 0.00 54.79 53.28 2o3o n ASP 50 Cb 0.31 -0.44 0.07 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.92 -2.24 -3.57 1.24 8.25 -0.81 -1.02 115.22 117.99 2o3o n HIS 51 Ca 0.19 0.92 -0.39 0.00 -0.26 0.00 0.00 57.72 58.18 2o3o n HIS 51 Cb 0.60 -4.79 -0.11 0.00 1.12 0.00 0.00 29.99 26.81 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 -3.44 5.30 -0.12 1.59 1.01 -1.26 -3.14 121.20 121.15 2o3o s ILE 52 Ca 0.16 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 2o3o s ILE 52 Cb -0.07 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2o3o s ILE 52 CO 0.76 0.18 0.09 -0.89 0.00 0.00 0.00 174.94 175.08 2o3o s THR 53 N 1.75 5.04 0.05 2.92 2.01 -0.83 -4.67 115.64 121.92 2o3o s THR 53 Ca 0.07 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2o3o s THR 53 Cb -0.16 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 69.18 2o3o s THR 53 CO 0.11 0.60 0.27 -0.72 -0.69 0.00 0.00 174.62 174.18 2o3o s TYR 54 N -0.82 -0.04 -0.10 4.92 -0.85 -1.26 -0.76 117.35 118.45 2o3o s TYR 54 Ca 0.13 -0.17 -0.08 0.00 -0.52 0.00 0.00 57.07 56.43 2o3o s TYR 54 Cb -0.12 0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.31 2o3o s TYR 54 CO 0.03 -0.50 0.25 -1.21 -1.52 0.00 0.00 175.55 172.60 2o3o s GLU 55 N -2.81 0.27 -1.24 -3.49 2.02 -1.26 -4.94 118.70 107.25 2o3o s GLU 55 Ca -0.03 0.41 -0.01 0.00 0.02 0.00 0.00 54.97 55.36 2o3o s GLU 55 Cb 0.00 0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.28 2o3o s GLU 55 CO -0.05 -0.08 0.83 0.41 0.02 0.00 0.00 175.26 176.39 2o3o n GLY 56 N 3.37 -0.42 3.62 -1.39 0.00 -1.26 -4.97 105.19 104.14 2o3o n GLY 56 Ca -0.17 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2o3o n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o3o s LEU 57 N -6.45 3.85 0.09 0.99 1.43 -1.26 -5.05 118.68 112.28 2o3o s LEU 57 Ca 0.06 0.06 -0.32 0.00 -1.03 0.00 0.00 54.13 52.90 2o3o s LEU 57 Cb -0.01 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 44.10 2o3o s LEU 57 CO 0.78 0.13 1.81 -3.20 0.23 0.00 0.00 176.35 176.10 2o3o n ASN 58 N 3.84 3.82 -0.84 2.29 5.15 -1.26 -4.86 115.26 123.39 2o3o n ASN 58 Ca -0.16 0.99 0.11 0.00 -0.60 0.00 0.00 54.58 54.93 2o3o n ASN 58 Cb 0.52 -1.50 0.08 0.00 -0.53 0.00 0.00 39.78 38.35 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 5.56 2.03 -3.63 1.20 5.02 -1.26 -2.63 118.16 124.45 2o3o n LYS 59 Ca 0.19 -1.70 -0.37 0.00 -2.02 0.00 0.00 58.31 54.40 2o3o n LYS 59 Cb 0.35 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.04 3.94 0.58 1.97 0.41 -1.26 -4.92 118.70 117.37 2o3o s GLU 60 Ca 0.25 0.11 -0.19 0.00 -0.41 0.00 0.00 54.97 54.73 2o3o s GLU 60 Cb 0.19 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 29.20 2o3o s GLU 60 CO 0.35 0.51 1.22 0.00 -0.49 0.00 0.00 175.26 176.85 2o3o s ALA 61 N -0.37 2.58 0.15 5.21 0.00 -1.26 -4.72 121.76 123.35 2o3o s ALA 61 Ca 0.18 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.20 2o3o s ALA 61 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2o3o s ALA 61 CO 0.06 -1.17 -0.03 0.95 0.00 0.00 0.00 175.76 175.57 2o3o s THR 62 N -1.55 0.77 -0.12 0.00 -4.23 -1.26 -5.02 115.64 104.23 2o3o s THR 62 Ca 0.76 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.26 2o3o s THR 62 Cb -0.32 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 2o3o s THR 62 CO 0.35 -0.63 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.18 2o3o s GLU 63 N -3.86 3.30 0.00 3.99 0.41 -1.26 0.63 118.70 121.90 2o3o s GLU 63 Ca 0.19 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 2o3o s GLU 63 Cb 0.05 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 2o3o s GLU 63 CO 0.01 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.70 2o3o n GLY 64 N 2.74 4.77 2.95 -1.39 0.00 0.28 -4.86 105.19 109.68 2o3o n GLY 64 Ca -0.18 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2o3o n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o3o s TYR 65 N -1.12 0.06 0.23 1.61 1.51 -1.26 -1.58 117.35 116.80 2o3o s TYR 65 Ca 0.00 -0.11 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 2o3o s TYR 65 Cb 0.00 -0.05 -0.09 0.00 -0.11 0.00 0.00 41.96 41.71 2o3o s TYR 65 CO 0.00 -0.10 0.97 0.50 -1.11 0.00 0.00 175.55 175.81 2o3o s ARG 66 N -0.59 4.80 0.19 -0.62 3.52 -0.33 -4.41 118.95 121.52 2o3o s ARG 66 Ca -0.07 1.55 0.04 0.00 -0.13 0.00 0.00 55.73 57.12 2o3o s ARG 66 Cb -0.04 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 2o3o s ARG 66 CO -0.00 0.43 -0.05 0.96 -0.81 0.00 0.00 175.30 175.82 2o3o s ILE 67 N -1.04 1.10 0.24 4.11 -4.36 -0.69 -1.11 121.20 119.45 2o3o s ILE 67 Ca 0.42 -2.05 0.08 0.00 -0.26 0.00 0.00 60.65 58.84 2o3o s ILE 67 Cb -0.27 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.31 2o3o s ILE 67 CO 0.33 -0.54 -0.13 0.42 0.24 0.00 0.00 174.94 175.26 2o3o s THR 68 N -3.37 1.80 0.05 8.37 -4.23 -0.24 -0.06 115.64 117.96 2o3o s THR 68 Ca 0.22 -2.21 -0.15 0.00 -1.18 0.00 0.00 61.69 58.37 2o3o s THR 68 Cb 0.04 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.71 2o3o s THR 68 CO 0.04 -0.49 0.34 0.00 -0.54 0.00 0.00 174.62 173.97 2o3o s ALA 69 N -2.93 -0.78 0.02 3.99 0.00 -0.50 -1.44 121.76 120.13 2o3o s ALA 69 Ca 0.25 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 2o3o s ALA 69 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 2o3o s ALA 69 CO 0.09 -0.44 0.24 -0.80 0.00 0.00 0.00 175.76 174.85 2o3o s ASN 70 N -2.11 6.44 -0.22 0.00 0.01 0.27 -0.74 114.94 118.59 2o3o s ASN 70 Ca -0.04 0.46 -0.29 0.00 -0.71 0.00 0.00 52.86 52.28 2o3o s ASN 70 Cb -0.01 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.60 2o3o s ASN 70 CO -0.04 0.23 1.22 -1.58 -1.51 0.00 0.00 177.10 175.43 2o3o s GLN 71 N -1.97 4.14 0.11 -0.60 2.00 -0.94 -1.34 119.66 121.07 2o3o s GLN 71 Ca 0.29 1.46 -0.31 0.00 -2.00 0.00 0.00 55.36 54.80 2o3o s GLN 71 Cb -0.13 -3.77 -0.11 0.00 0.80 0.00 0.00 33.01 29.80 2o3o s GLN 71 CO 0.19 -0.82 1.85 1.17 -0.50 0.00 0.00 175.29 177.18 2o3o n LYS 72 N 6.77 2.77 -3.57 1.67 3.00 0.74 -4.94 118.16 124.61 2o3o n LYS 72 Ca 0.14 1.01 -0.38 0.00 -0.00 0.00 0.00 58.31 59.07 2o3o n LYS 72 Cb 0.46 -2.91 -0.11 0.00 0.00 0.00 0.00 35.03 32.47 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 2.93 6.04 -0.47 3.14 0.15 -1.26 -4.37 113.70 119.86 2o3o s SER 73 Ca 0.83 -0.01 -0.26 0.00 0.70 0.00 0.00 55.95 57.21 2o3o s SER 73 Cb -0.49 -2.13 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2o3o s SER 73 CO 0.38 -0.08 0.96 -0.36 1.20 0.00 0.00 173.24 175.35 2o3o s PHE 74 N 1.79 2.89 0.88 3.44 0.40 0.67 -4.97 117.98 123.08 2o3o s PHE 74 Ca 0.08 0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 2o3o s PHE 74 Cb -0.16 -4.06 0.12 0.00 0.51 0.00 0.00 43.02 39.43 2o3o s PHE 74 CO 0.11 -1.15 1.09 -1.54 0.70 0.00 0.00 175.22 174.44 2o3o s SER 75 N 2.33 3.58 0.05 1.36 1.04 -1.26 -4.52 113.70 116.27 2o3o s SER 75 Ca 0.38 1.62 -0.25 0.00 0.48 0.00 0.00 55.95 58.19 2o3o s SER 75 Cb -0.10 -2.29 -0.17 0.00 0.10 0.00 0.00 66.02 63.56 2o3o s SER 75 CO 0.27 -2.59 1.55 0.50 0.98 0.00 0.00 173.24 173.95 2o3o h LYS 76 N -1.52 -0.14 -0.80 4.02 3.64 -1.96 -2.70 116.57 117.11 2o3o h LYS 76 Ca -0.48 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.04 2o3o h LYS 76 Cb 1.27 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 2o3o h LYS 76 CO 0.53 0.04 -0.38 0.93 -2.27 0.00 0.00 179.45 178.30 2o3o h GLU 77 N -0.31 -0.08 -0.76 1.90 5.08 -1.96 -0.91 114.58 117.55 2o3o h GLU 77 Ca -0.02 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2o3o h GLU 77 Cb 0.25 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2o3o h GLU 77 CO 0.03 -0.05 0.50 0.93 -1.00 0.00 0.00 179.01 179.41 2o3o h GLU 78 N -0.08 0.69 0.01 2.33 5.08 -1.90 -1.22 114.58 119.48 2o3o h GLU 78 Ca 0.28 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.44 2o3o h GLU 78 Cb 0.57 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2o3o h GLU 78 CO -0.84 0.46 -0.64 0.82 -1.00 0.00 0.00 179.01 177.81 2o3o h ILE 79 N 0.71 1.42 -0.39 3.13 2.04 -0.86 -3.14 117.51 120.42 2o3o h ILE 79 Ca 0.35 -2.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.07 2o3o h ILE 79 Cb 0.41 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2o3o h ILE 79 CO -0.13 0.62 0.03 -1.84 0.00 0.00 0.00 178.15 176.83 2o3o n GLU 80 N -4.19 3.45 0.03 2.37 0.28 -0.90 -2.72 120.64 118.96 2o3o n GLU 80 Ca -0.11 -2.06 0.11 0.00 -0.16 0.00 0.00 57.16 54.95 2o3o n GLU 80 Cb 0.69 -1.99 -0.03 0.00 1.43 0.00 0.00 31.44 31.54 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 0.35 3.29 -2.35 -1.84 0.00 -0.48 -4.89 120.51 114.59 2o3o n ALA 81 Ca 0.19 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 2o3o n ALA 81 Cb 0.90 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -4.13 3.63 0.18 0.00 1.43 -1.10 -4.99 118.68 113.69 2o3o s LEU 82 Ca 0.01 0.90 -0.27 0.00 -1.03 0.00 0.00 54.13 53.74 2o3o s LEU 82 Cb 0.14 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 2o3o s LEU 82 CO 0.83 -1.39 0.83 -0.75 0.23 0.00 0.00 176.35 176.09 2o3o s LYS 83 N 4.84 4.65 -1.27 1.70 2.20 -1.26 -3.61 119.74 126.99 2o3o s LYS 83 Ca 0.61 1.26 -0.08 0.00 -0.36 0.00 0.00 55.97 57.39 2o3o s LYS 83 Cb -0.14 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 2o3o s LYS 83 CO 0.31 0.54 1.11 -0.25 -0.36 0.00 0.00 175.35 176.71 2o3o n ASP 84 N 1.63 -6.02 -3.73 1.43 8.00 -1.26 -5.01 116.55 111.59 2o3o n ASP 84 Ca -0.04 -0.51 -0.14 0.00 0.71 0.00 0.00 54.79 54.80 2o3o n ASP 84 Cb 0.48 -4.77 -0.15 0.00 -0.02 0.00 0.00 41.12 36.67 2o3o n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2o3o s GLN 85 N -6.21 0.08 -0.08 -1.24 -0.21 -1.24 -2.12 119.66 108.64 2o3o s GLN 85 Ca 0.54 0.43 0.04 0.00 0.02 0.00 0.00 55.36 56.39 2o3o s GLN 85 Cb -0.24 -0.20 -0.01 0.00 1.00 0.00 0.00 33.01 33.56 2o3o s GLN 85 CO 0.69 -0.20 -0.20 0.15 -2.12 0.00 0.00 175.29 173.60 2o3o s LYS 86 N 1.48 2.79 0.49 2.91 -0.14 -0.38 -4.92 119.74 121.97 2o3o s LYS 86 Ca -0.06 -0.82 -0.21 0.00 -1.36 0.00 0.00 55.97 53.52 2o3o s LYS 86 Cb -0.12 -2.32 -0.07 0.00 -1.68 0.00 0.00 37.83 33.64 2o3o s LYS 86 CO -0.06 0.36 1.10 -1.25 -0.76 0.00 0.00 175.35 174.74 2o3o s PRO 87 N -0.08 3.70 -0.54 -1.68 0.04 -1.26 -1.38 135.00 133.80 2o3o s PRO 87 Ca -0.05 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2o3o s PRO 87 Cb -0.14 -2.19 0.39 0.00 0.04 0.00 0.00 34.50 32.59 2o3o s PRO 87 CO 0.04 -0.55 1.21 1.28 0.04 0.00 0.00 177.00 179.02 2o3o n LEU 88 N -0.85 5.10 0.00 -3.56 4.77 0.11 -4.86 117.00 117.72 2o3o n LEU 88 Ca 0.09 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.79 2o3o n LEU 88 Cb 0.51 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2o3o n LEU 88 CO 0.43 2.20 0.00 0.47 -1.33 0.00 0.00 177.39 179.16 2o3o n ASP 90 N -0.43 0.00 -4.85 -1.43 8.00 -1.26 -4.93 116.55 111.66 2o3o n ASP 90 Ca 0.39 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.61 2o3o n ASP 90 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 2o3o n ASP 90 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2o3o s PRO 92 N 1.35 3.11 0.09 -0.24 0.04 -1.26 -4.94 135.00 133.15 2o3o s PRO 92 Ca 0.00 -0.69 0.01 0.00 0.04 0.00 0.00 61.00 60.36 2o3o s PRO 92 Cb 0.00 -2.81 -0.00 0.00 0.04 0.00 0.00 34.50 31.73 2o3o s PRO 92 CO 0.00 0.54 0.10 -1.13 0.04 0.00 0.00 177.00 176.55 2o3o n SER 93 N -0.07 -0.28 0.09 6.66 3.41 -1.16 -4.97 113.62 117.30 2o3o n SER 93 Ca -0.08 -1.51 -0.12 0.00 -0.26 0.00 0.00 58.87 56.90 2o3o n SER 93 Cb 0.53 0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 64.98 2o3o n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2o3o h ASP 94 N 0.51 -0.31 -0.37 4.04 5.19 -2.07 -3.08 116.42 120.33 2o3o h ASP 94 Ca -0.07 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.24 2o3o h ASP 94 Cb 0.30 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2o3o h ASP 94 CO 0.09 -0.17 -0.31 -0.78 -3.12 0.00 0.00 179.24 174.95 2o3o h ASP 95 N -0.23 0.92 -2.79 6.45 1.82 -2.09 -3.47 116.42 117.03 2o3o h ASP 95 Ca 0.01 -0.45 -0.53 0.00 -0.39 0.00 0.00 57.03 55.68 2o3o h ASP 95 Cb 0.24 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 2o3o h ASP 95 CO -0.05 1.17 -0.34 -2.28 -1.61 0.00 0.00 179.24 176.13 2o3o s HIS 96 N -4.46 3.48 -0.00 0.28 2.46 -1.16 -5.12 115.29 110.76 2o3o s HIS 96 Ca -0.12 0.31 -0.02 0.00 0.47 0.00 0.00 55.06 55.70 2o3o s HIS 96 Cb 0.10 -1.83 -0.00 0.00 -0.13 0.00 0.00 32.58 30.72 2o3o s HIS 96 CO 0.86 0.37 0.04 0.15 -2.47 0.00 0.00 174.74 173.69 2o3o s LYS 97 N -3.42 0.21 -0.48 2.88 1.02 -1.26 -2.96 119.74 115.74 2o3o s LYS 97 Ca 0.38 -0.24 -0.10 0.00 0.02 0.00 0.00 55.97 56.04 2o3o s LYS 97 Cb -0.11 0.08 0.12 0.00 -0.52 0.00 0.00 37.83 37.41 2o3o s LYS 97 CO 0.29 -0.04 0.36 0.08 -0.92 0.00 0.00 175.35 175.12 2o3o s VAL 98 N -0.71 4.30 -0.50 3.17 1.01 -1.26 -4.87 120.40 121.54 2o3o s VAL 98 Ca -0.08 -1.76 0.23 0.00 0.00 0.00 0.00 61.98 60.38 2o3o s VAL 98 Cb -0.05 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2o3o s VAL 98 CO -0.00 -0.78 1.19 0.71 0.00 0.00 0.00 175.10 176.22 2o3o h THR 99 N 6.11 0.00 -3.20 3.92 1.35 -1.93 0.19 112.91 119.35 2o3o h THR 99 Ca -0.22 -0.66 -0.52 0.00 -0.55 0.00 0.00 66.41 64.47 2o3o h THR 99 Cb 1.08 1.17 -0.37 0.00 -1.73 0.00 0.00 68.15 68.30 2o3o h THR 99 CO 0.88 0.00 -0.80 -0.55 -0.25 0.00 0.00 175.52 174.80 2o3o s SER 100 N -4.57 2.08 0.72 5.36 0.15 -1.26 -4.42 113.70 111.75 2o3o s SER 100 Ca 0.04 -0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.30 2o3o s SER 100 Cb 0.12 -0.79 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2o3o s SER 100 CO 0.75 -0.12 1.09 -0.76 1.20 0.00 0.00 173.24 175.41 2o3o s LEU 101 N 1.66 2.82 -0.25 3.45 1.43 0.21 -4.91 118.68 123.10 2o3o s LEU 101 Ca 0.04 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 2o3o s LEU 101 Cb -0.13 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.52 2o3o s LEU 101 CO -0.07 -1.48 0.62 -0.75 0.23 0.00 0.00 176.35 174.90 2o3o s LYS 102 N -5.37 0.66 -0.28 1.70 2.20 -1.26 -2.90 119.74 114.50 2o3o s LYS 102 Ca 0.59 1.06 -0.23 0.00 -0.36 0.00 0.00 55.97 57.03 2o3o s LYS 102 Cb -0.11 0.16 0.09 0.00 -1.51 0.00 0.00 37.83 36.46 2o3o s LYS 102 CO 0.50 -0.14 0.80 0.21 -0.36 0.00 0.00 175.35 176.36 2o3o s LYS 104 N 1.28 0.72 0.12 4.03 2.20 -0.48 0.07 119.74 127.69 2o3o s LYS 104 Ca -0.08 0.93 -0.28 0.00 -0.36 0.00 0.00 55.97 56.18 2o3o s LYS 104 Cb -0.06 0.31 -0.06 0.00 -1.51 0.00 0.00 37.83 36.51 2o3o s LYS 104 CO -0.14 -0.10 0.89 -0.06 -0.36 0.00 0.00 175.35 175.58 2o3o s PHE 105 N 0.62 3.84 0.16 4.03 0.40 -0.83 -1.25 117.98 124.94 2o3o s PHE 105 Ca -0.02 1.72 -0.21 0.00 -0.60 0.00 0.00 56.93 57.82 2o3o s PHE 105 Cb -0.05 -2.95 0.05 0.00 0.51 0.00 0.00 43.02 40.58 2o3o s PHE 105 CO -0.05 0.30 1.63 0.00 0.70 0.00 0.00 175.22 177.80 2o3o h ALA 106 N 5.21 -0.06 -3.27 5.36 0.00 -1.77 -3.38 119.26 121.36 2o3o h ALA 106 Ca -0.44 0.10 -0.64 0.00 0.00 0.00 0.00 54.91 53.93 2o3o h ALA 106 Cb 1.21 0.51 -0.34 0.00 0.00 0.00 0.00 17.79 19.17 2o3o h ALA 106 CO 0.70 -0.64 -0.86 -0.80 0.00 0.00 0.00 179.25 177.66 2o3o s ASN 107 N -5.07 2.82 0.59 0.00 0.01 -1.26 -5.12 114.94 106.91 2o3o s ASN 107 Ca -0.15 -0.52 -0.19 0.00 -0.71 0.00 0.00 52.86 51.29 2o3o s ASN 107 Cb 0.13 -1.29 -0.04 0.00 0.41 0.00 0.00 41.25 40.46 2o3o s ASN 107 CO 0.69 0.08 1.21 -2.16 -1.51 0.00 0.00 177.10 175.40 2o3o s PRO 108 N 0.74 3.00 -0.20 -0.60 0.04 -1.26 -4.98 135.00 131.74 2o3o s PRO 108 Ca -0.10 1.82 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 2o3o s PRO 108 Cb -0.16 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2o3o s PRO 108 CO 0.01 -1.18 0.06 0.42 0.04 0.00 0.00 177.00 176.35 2o3o s ILE 109 N -1.60 4.56 0.13 0.56 1.01 -0.93 -4.85 121.20 120.09 2o3o s ILE 109 Ca 0.77 -0.11 -0.31 0.00 0.00 0.00 0.00 60.65 61.01 2o3o s ILE 109 Cb -0.30 -3.08 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 2o3o s ILE 109 CO 0.33 0.42 1.36 0.00 0.00 0.00 0.00 174.94 177.05 2o3o s ALA 110 N 0.82 3.57 0.32 9.38 0.00 -1.26 -1.20 121.76 133.38 2o3o s ALA 110 Ca 0.03 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.16 2o3o s ALA 110 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2o3o s ALA 110 CO 0.02 -0.59 0.42 -0.51 0.00 0.00 0.00 175.76 175.10 2o3o s LEU 111 N 0.81 3.96 0.43 0.00 1.43 0.92 -4.94 118.68 121.29 2o3o s LEU 111 Ca 0.62 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2o3o s LEU 111 Cb -0.36 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 2o3o s LEU 111 CO 0.32 -0.36 0.67 -0.55 0.23 0.00 0.00 176.35 176.66 2o3o s SER 112 N -4.11 6.10 -0.01 2.29 0.15 -1.26 -4.81 113.70 112.06 2o3o s SER 112 Ca 0.42 0.54 -0.02 0.00 0.70 0.00 0.00 55.95 57.59 2o3o s SER 112 Cb -0.09 -1.92 -0.01 0.00 -1.71 0.00 0.00 66.02 62.30 2o3o s SER 112 CO 0.30 -0.54 0.40 0.11 1.20 0.00 0.00 173.24 174.71 2o3o h LYS 113 N 0.46 -0.07 0.00 5.44 1.57 -1.97 -3.20 116.57 118.80 2o3o h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2o3o h LYS 113 Cb 1.23 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2o3o h LYS 113 CO 0.60 -0.05 -1.07 1.63 -0.57 0.00 0.00 179.45 179.99 2o3o n LYS 114 N -2.44 0.19 -1.02 3.15 5.02 -1.26 -4.05 118.16 117.75 2o3o n LYS 114 Ca -0.01 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 2o3o n LYS 114 Cb 0.03 -1.54 0.20 0.00 -0.02 0.00 0.00 35.03 33.70 2o3o n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2o3o n ASP 115 N -1.77 3.35 -0.33 4.39 2.03 -1.26 -4.79 116.55 118.17 2o3o n ASP 115 Ca 0.02 -3.62 0.04 0.00 0.52 0.00 0.00 54.79 51.75 2o3o n ASP 115 Cb 0.40 -0.74 0.19 0.00 -0.72 0.00 0.00 41.12 40.25 2o3o n ASP 115 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o3o h ILE 116 N 1.19 0.95 -0.30 5.18 2.10 -1.69 -2.65 117.51 122.29 2o3o h ILE 116 Ca 0.42 -0.32 -0.02 0.00 1.08 0.00 0.00 64.86 66.02 2o3o h ILE 116 Cb 2.29 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 37.95 2o3o h ILE 116 CO 0.76 0.17 0.10 -0.33 -1.08 0.00 0.00 178.15 177.77 2o3o h GLU 117 N 0.93 0.46 -0.45 2.19 5.08 -1.89 -0.99 114.58 119.91 2o3o h GLU 117 Ca 0.43 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 2o3o h GLU 117 Cb 0.36 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2o3o h GLU 117 CO -0.24 0.50 0.10 -0.44 -1.00 0.00 0.00 179.01 177.93 2o3o h ASP 118 N 0.32 0.68 -0.60 1.42 3.32 -1.90 -1.70 116.42 117.97 2o3o h ASP 118 Ca 0.10 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2o3o h ASP 118 Cb 0.23 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2o3o h ASP 118 CO -0.00 0.74 0.40 0.44 -1.72 0.00 0.00 179.24 179.10 2o3o h ASP 119 N 0.59 0.61 -0.09 6.45 5.19 -1.27 -0.82 116.42 127.09 2o3o h ASP 119 Ca 0.14 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2o3o h ASP 119 Cb 0.33 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 2o3o h ASP 119 CO 0.00 0.42 -0.02 0.00 -3.12 0.00 0.00 179.24 176.53 2o3o h ALA 120 N 1.65 0.12 -0.91 3.45 0.00 -0.76 -2.22 119.26 120.58 2o3o h ALA 120 Ca 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2o3o h ALA 120 Cb 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2o3o h ALA 120 CO -0.06 -0.16 0.60 1.96 0.00 0.00 0.00 179.25 181.59 2o3o h GLN 121 N -0.15 1.18 -0.46 0.00 4.20 -0.95 -1.54 115.11 117.39 2o3o h GLN 121 Ca 0.02 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.69 2o3o h GLN 121 Cb 0.41 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 2o3o h GLN 121 CO 0.01 0.78 0.25 0.00 -0.67 0.00 0.00 178.83 179.20 2o3o h ALA 122 N 1.34 0.58 0.22 3.87 0.00 -1.14 -1.81 119.26 122.32 2o3o h ALA 122 Ca 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2o3o h ALA 122 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2o3o h ALA 122 CO -0.08 -0.08 -0.11 1.25 0.00 0.00 0.00 179.25 180.23 2o3o h LEU 123 N 0.50 -0.26 -0.77 0.00 5.85 -0.75 -1.59 115.31 118.29 2o3o h LEU 123 Ca 0.19 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2o3o h LEU 123 Cb 0.06 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2o3o h LEU 123 CO -0.11 -0.17 0.50 0.58 -0.34 0.00 0.00 178.44 178.89 2o3o h VAL 124 N -0.31 1.16 0.10 1.05 2.07 -1.17 0.68 116.25 119.82 2o3o h VAL 124 Ca -0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2o3o h VAL 124 Cb 0.24 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2o3o h VAL 124 CO 0.05 0.18 -0.05 0.28 0.02 0.00 0.00 177.57 178.05 2o3o h SER 125 N 1.00 -0.12 -0.35 0.57 0.02 -1.22 -1.97 113.55 111.49 2o3o h SER 125 Ca 0.29 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2o3o h SER 125 Cb -0.06 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2o3o h SER 125 CO -0.08 0.43 0.02 0.77 -1.14 0.00 0.00 176.83 176.83 2o3o h SER 126 N -0.73 0.59 0.01 3.07 4.64 -1.23 -3.36 113.55 116.54 2o3o h SER 126 Ca -0.01 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2o3o h SER 126 Cb 0.55 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2o3o h SER 126 CO 0.02 0.74 -1.28 0.29 -0.87 0.00 0.00 176.83 175.73 2o3o n LYS 127 N -4.53 0.19 -4.73 4.77 5.02 0.22 -4.96 118.16 114.16 2o3o n LYS 127 Ca -0.02 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.89 2o3o n LYS 127 Cb 0.26 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.15 3.33 -0.30 -0.18 1.01 -0.74 -4.99 121.20 116.19 2o3o s ILE 128 Ca 0.03 -0.59 -0.41 0.00 0.00 0.00 0.00 60.65 59.68 2o3o s ILE 128 Cb 0.15 -2.37 -0.18 0.00 0.01 0.00 0.00 42.46 40.07 2o3o s ILE 128 CO 0.88 0.56 1.30 1.67 0.00 0.00 0.00 174.94 179.35 2o3o n GLN 129 N 2.81 0.00 -2.03 2.79 7.27 -1.26 -1.28 117.38 125.68 2o3o n GLN 129 Ca -0.18 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.71 2o3o n GLN 129 Cb 0.53 -1.37 -0.04 0.00 2.41 0.00 0.00 30.24 31.76 2o3o n GLN 129 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2o3o n ASP 130 N 2.89 -5.13 -0.34 1.69 10.43 -1.26 -4.86 116.55 119.96 2o3o n ASP 130 Ca 0.25 0.22 0.08 0.00 2.57 0.00 0.00 54.79 57.91 2o3o n ASP 130 Cb -0.01 -4.41 0.25 0.00 1.84 0.00 0.00 41.12 38.78 2o3o n ASP 130 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2o3o h GLY 131 N 0.00 1.59 2.00 0.44 0.00 -1.35 -1.28 103.07 104.47 2o3o h GLY 131 Ca -0.41 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2o3o h GLY 131 CO 0.53 0.06 0.00 1.05 0.00 0.00 0.00 176.54 178.19 2o3o h GLU 132 N 0.85 0.00 0.00 4.80 9.09 -1.83 -0.52 114.58 126.96 2o3o h GLU 132 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 2o3o h GLU 132 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 2o3o h GLU 132 CO -0.31 0.00 0.00 0.87 0.05 0.00 0.00 179.01 179.62 2o3o h LYS 133 N 0.00 0.00 -5.49 1.06 1.57 -1.61 -3.45 116.57 108.65 2o3o h LYS 133 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 2o3o h LYS 133 Cb 0.12 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.33 2o3o h LYS 133 CO 0.00 0.00 -0.50 0.71 -0.57 0.00 0.00 179.45 179.09 2o3o s TYR 134 N -3.26 3.48 -0.10 -1.35 1.51 -0.20 -1.34 117.35 116.09 2o3o s TYR 134 Ca 0.07 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 2o3o s TYR 134 Cb 0.10 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2o3o s TYR 134 CO 0.53 0.51 -0.14 0.21 -1.11 0.00 0.00 175.55 175.56 2o3o s LYS 135 N -0.39 3.06 0.42 -0.62 2.20 0.94 -4.90 119.74 120.44 2o3o s LYS 135 Ca 0.11 -0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 54.76 2o3o s LYS 135 Cb -0.12 -2.53 -0.10 0.00 -1.51 0.00 0.00 37.83 33.58 2o3o s LYS 135 CO 0.01 0.36 1.40 -0.11 -0.36 0.00 0.00 175.35 176.65 2o3o n LEU 136 N 3.09 4.66 0.02 5.43 7.94 -1.26 -1.21 117.00 135.67 2o3o n LEU 136 Ca -0.18 1.15 -0.02 0.00 -1.11 0.00 0.00 56.01 55.86 2o3o n LEU 136 Cb 0.53 -1.57 -0.01 0.00 0.53 0.00 0.00 43.42 42.90 2o3o n LEU 136 CO 0.29 -0.22 -0.22 1.87 -1.11 0.00 0.00 177.39 177.99 2o3o n TRP 137 N -0.01 0.00 -3.77 1.96 -0.00 0.14 -4.80 117.44 110.96 2o3o n TRP 137 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.42 2o3o n TRP 137 Cb 0.40 -0.07 -0.11 0.00 -0.00 0.00 0.00 31.31 31.53 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 -2.08 0.32 -0.30 5.87 2.20 -1.07 -5.02 119.74 119.66 2o3o s LYS 138 Ca -0.03 0.41 -0.10 0.00 -0.36 0.00 0.00 55.97 55.88 2o3o s LYS 138 Cb 0.01 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 2o3o s LYS 138 CO 0.05 -0.05 0.16 0.08 -0.36 0.00 0.00 175.35 175.23 2o3o s VAL 139 N 0.23 4.76 -0.44 4.02 1.01 -1.26 -1.18 120.40 127.53 2o3o s VAL 139 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2o3o s VAL 139 Cb -0.03 -3.39 0.12 0.00 0.00 0.00 0.00 36.38 33.09 2o3o s VAL 139 CO -0.00 0.11 0.22 -0.62 0.00 0.00 0.00 175.10 174.81 2o3o s ASP 140 N 1.65 5.12 0.30 3.32 -1.08 -0.67 -4.95 116.67 120.35 2o3o s ASP 140 Ca 0.05 -2.25 0.09 0.00 -0.52 0.00 0.00 52.55 49.93 2o3o s ASP 140 Cb -0.17 -1.79 0.47 0.00 -1.46 0.00 0.00 42.92 39.98 2o3o s ASP 140 CO 0.07 -0.47 1.69 0.11 0.52 0.00 0.00 175.17 177.09 2o3o h LYS 141 N 7.72 0.08 -0.75 4.34 1.57 -1.96 -1.09 116.57 126.49 2o3o h LYS 141 Ca -0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2o3o h LYS 141 Cb 1.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 2o3o h LYS 141 CO 0.67 0.56 0.39 0.66 -0.57 0.00 0.00 179.45 181.17 2o3o h SER 142 N 0.07 0.95 -0.10 0.86 4.64 -1.95 -2.11 113.55 115.91 2o3o h SER 142 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2o3o h SER 142 Cb 0.90 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2o3o h SER 142 CO 0.07 0.79 0.00 0.29 -0.87 0.00 0.00 176.83 177.11 2o3o n LYS 143 N -4.44 1.98 -3.85 4.77 5.02 -1.18 -4.97 118.16 115.50 2o3o n LYS 143 Ca 0.07 -1.44 -0.24 0.00 -2.02 0.00 0.00 58.31 54.68 2o3o n LYS 143 Cb 0.11 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.72 -3.94 -3.76 1.97 5.02 -0.51 -4.89 118.16 112.78 2o3o n LYS 144 Ca 0.17 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.83 2o3o n LYS 144 Cb 0.45 -4.79 -0.12 0.00 -0.02 0.00 0.00 35.03 30.56 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 -6.32 0.31 -0.09 1.97 -1.05 -0.62 -1.68 118.70 111.21 2o3o s GLU 145 Ca 0.00 0.46 -0.05 0.00 -0.15 0.00 0.00 54.97 55.23 2o3o s GLU 145 Cb -0.00 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 2o3o s GLU 145 CO 0.86 -0.08 0.12 0.42 0.95 0.00 0.00 175.26 177.54 2o3o s ILE 146 N 0.49 5.29 -0.08 1.83 1.01 -0.81 -1.67 121.20 127.25 2o3o s ILE 146 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.71 2o3o s ILE 146 Cb -0.04 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.12 2o3o s ILE 146 CO -0.03 0.57 -0.15 -0.63 0.00 0.00 0.00 174.94 174.70 2o3o s ILE 147 N -1.06 1.41 -0.05 2.92 1.01 -0.33 -0.13 121.20 124.98 2o3o s ILE 147 Ca 0.17 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2o3o s ILE 147 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2o3o s ILE 147 CO 0.06 0.42 -0.15 -0.36 0.00 0.00 0.00 174.94 174.91 2o3o s PHE 148 N 0.70 2.69 -0.10 3.97 0.40 0.30 0.28 117.98 126.22 2o3o s PHE 148 Ca -0.13 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2o3o s PHE 148 Cb -0.16 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 2o3o s PHE 148 CO 0.03 0.18 0.03 -0.06 0.70 0.00 0.00 175.22 176.09 2o3o s PHE 149 N -0.71 3.23 0.69 0.36 0.08 -0.35 -2.39 117.98 118.89 2o3o s PHE 149 Ca 0.11 0.21 -0.15 0.00 0.12 0.00 0.00 56.93 57.22 2o3o s PHE 149 Cb -0.11 -1.84 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2o3o s PHE 149 CO 0.00 0.46 1.15 -1.14 -0.10 0.00 0.00 175.22 175.59 2o3o s GLN 150 N -0.73 2.51 0.33 0.44 0.74 -0.51 -0.04 119.66 122.39 2o3o s GLN 150 Ca 0.12 1.54 0.06 0.00 0.05 0.00 0.00 55.36 57.12 2o3o s GLN 150 Cb -0.12 -1.90 -0.07 0.00 1.10 0.00 0.00 33.01 32.03 2o3o s GLN 150 CO 0.02 -1.50 0.00 0.95 -0.55 0.00 0.00 175.29 174.21 2o3o s THR 151 N -2.20 1.57 -0.10 -0.34 -4.23 -0.45 -1.64 115.64 108.25 2o3o s THR 151 Ca 0.70 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2o3o s THR 151 Cb -0.24 -2.71 0.05 0.00 1.34 0.00 0.00 72.50 70.94 2o3o s THR 151 CO 0.43 -0.11 0.19 -0.47 -0.54 0.00 0.00 174.62 174.12 2o3o s TYR 152 N -3.04 -0.25 -1.42 3.99 5.04 0.11 -4.88 117.35 116.90 2o3o s TYR 152 Ca 0.34 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.66 2o3o s TYR 152 Cb 0.07 -0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.23 2o3o s TYR 152 CO 0.15 -0.28 0.50 0.39 -1.34 0.00 0.00 175.55 174.96 2o3o n GLU 153 N 5.16 -3.56 0.00 4.97 1.02 -1.26 -1.39 120.64 125.58 2o3o n GLU 153 Ca -0.08 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2o3o n GLU 153 Cb 0.50 -4.68 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 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 -1.88 2.97 3.85 0.62 0.00 -1.26 -5.01 105.19 104.48 2o3o n GLY 154 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2o3o n GLY 154 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o3o s HIS 155 N -1.72 3.18 0.47 1.61 3.76 -0.48 -5.05 115.29 117.05 2o3o s HIS 155 Ca 0.00 -0.09 -0.21 0.00 -0.15 0.00 0.00 55.06 54.61 2o3o s HIS 155 Cb 0.00 -1.43 -0.08 0.00 1.11 0.00 0.00 32.58 32.17 2o3o s HIS 155 CO 0.00 0.51 1.06 0.71 -0.85 0.00 0.00 174.74 176.17 2o3o s TYR 156 N -2.10 3.01 -0.68 1.40 1.51 -1.26 0.09 117.35 119.33 2o3o s TYR 156 Ca 0.33 1.59 -0.17 0.00 -1.01 0.00 0.00 57.07 57.81 2o3o s TYR 156 Cb -0.08 -3.13 0.15 0.00 -0.11 0.00 0.00 41.96 38.78 2o3o s TYR 156 CO 0.26 -0.92 0.70 0.42 -1.11 0.00 0.00 175.55 174.89 2o3o s ILE 157 N -1.84 5.17 0.03 2.71 1.01 -0.65 -1.25 121.20 126.38 2o3o s ILE 157 Ca 0.65 -1.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.35 2o3o s ILE 157 Cb -0.20 -4.47 -0.06 0.00 0.01 0.00 0.00 42.46 37.75 2o3o s ILE 157 CO 0.24 -1.06 1.37 -0.31 0.00 0.00 0.00 174.94 175.18 2o3o s TYR 158 N 1.60 3.02 0.25 3.97 1.51 0.12 -4.67 117.35 123.15 2o3o s TYR 158 Ca 0.13 0.91 0.02 0.00 -1.01 0.00 0.00 57.07 57.12 2o3o s TYR 158 Cb -0.20 -3.63 -0.05 0.00 -0.11 0.00 0.00 41.96 37.96 2o3o s TYR 158 CO -0.01 -2.28 0.07 -0.65 -1.11 0.00 0.00 175.55 171.57 2o3o s GLN 159 N 1.94 1.40 0.43 -0.62 -0.21 -1.26 -4.52 119.66 116.82 2o3o s GLN 159 Ca 0.63 -1.75 -0.22 0.00 0.02 0.00 0.00 55.36 54.05 2o3o s GLN 159 Cb -0.32 -0.40 -0.10 0.00 1.00 0.00 0.00 33.01 33.18 2o3o s GLN 159 CO 0.28 -0.23 0.97 0.15 -2.12 0.00 0.00 175.29 174.33 2o3o s LYS 160 N -3.98 4.19 -0.32 2.91 1.02 -1.26 -4.99 119.74 117.31 2o3o s LYS 160 Ca 0.35 1.20 0.08 0.00 0.02 0.00 0.00 55.97 57.62 2o3o s LYS 160 Cb 0.07 -2.25 0.55 0.00 -0.52 0.00 0.00 37.83 35.68 2o3o s LYS 160 CO 0.12 -0.07 1.57 0.25 -0.92 0.00 0.00 175.35 176.30 2o3o n THR 161 N -0.54 2.69 0.00 2.17 -2.24 -1.26 -4.85 114.28 110.25 2o3o n THR 161 Ca 0.07 -2.55 0.00 0.00 -2.27 0.00 0.00 64.05 59.30 2o3o n THR 161 Cb 0.53 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2o3o n THR 161 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2o3o n ASP 162 N -1.10 0.00 -4.44 3.42 8.00 -1.26 -5.04 116.55 116.13 2o3o n ASP 162 Ca 0.39 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.58 2o3o n ASP 162 Cb 1.17 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 42.47 2o3o n ASP 162 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2o3o n ASN 163 N 0.00 -1.65 0.00 -2.24 2.04 -1.26 -4.94 115.26 107.20 2o3o n ASN 163 Ca 0.00 0.01 0.12 0.00 -0.44 0.00 0.00 54.58 54.27 2o3o n ASN 163 Cb 0.00 -1.20 0.67 0.00 -2.53 0.00 0.00 39.78 36.73 2o3o n ASN 163 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 2o3o n PRO 164 N -3.53 0.60 -0.16 -0.53 -0.02 -1.26 -3.50 135.00 126.61 2o3o n PRO 164 Ca 0.04 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 2o3o n PRO 164 Cb 0.56 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.57 2o3o n PRO 164 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2o3o h SER 165 N 0.00 0.98 -1.68 2.55 0.02 -1.99 -3.43 113.55 110.00 2o3o h SER 165 Ca 0.00 -0.33 -0.67 0.00 -0.84 0.00 0.00 61.79 59.95 2o3o h SER 165 Cb 0.08 -0.27 -0.14 0.00 0.14 0.00 0.00 62.40 62.22 2o3o h SER 165 CO 0.00 1.11 1.41 0.20 -1.14 0.00 0.00 176.83 178.41 2o3o s ASN 166 N -6.68 6.73 0.00 3.07 0.01 -1.23 -5.09 114.94 111.75 2o3o s ASN 166 Ca -0.11 -2.15 0.00 0.00 -0.71 0.00 0.00 52.86 49.89 2o3o s ASN 166 Cb 0.13 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.30 2o3o s ASN 166 CO 0.86 -1.15 0.00 2.30 -1.51 0.00 0.00 177.10 177.60 2o3o n ILE 168 N 5.89 0.00 -3.03 0.60 -5.35 -1.26 -4.39 119.36 111.82 2o3o n ILE 168 Ca 0.34 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.68 2o3o n ILE 168 Cb 0.48 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.59 3.19 3.28 0.00 -1.26 -3.96 105.19 107.02 2o3o n GLY 169 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 0.52 0.86 -0.12 1.61 -0.21 -0.60 -1.42 119.66 120.30 2o3o s GLN 170 Ca 0.31 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.52 2o3o s GLN 170 Cb 0.02 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.34 2o3o s GLN 170 CO -0.11 -0.25 -0.11 0.08 -2.12 0.00 0.00 175.29 172.78 2o3o s VAL 171 N -3.94 1.23 -0.21 1.09 1.01 -1.00 -0.68 120.40 117.89 2o3o s VAL 171 Ca 0.12 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2o3o s VAL 171 Cb 0.06 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2o3o s VAL 171 CO -0.06 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.60 2o3o s VAL 172 N 1.46 2.28 -0.07 2.92 1.01 -0.51 -0.53 120.40 126.96 2o3o s VAL 172 Ca 0.02 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 2o3o s VAL 172 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2o3o s VAL 172 CO -0.07 0.33 0.56 -0.76 0.00 0.00 0.00 175.10 175.16 2o3o s LEU 173 N 1.25 4.33 -0.22 3.92 1.43 0.82 -1.70 118.68 128.53 2o3o s LEU 173 Ca 0.00 1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 54.05 2o3o s LEU 173 Cb -0.16 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2o3o s LEU 173 CO -0.09 0.01 0.05 -1.00 0.23 0.00 0.00 176.35 175.55 2o3o s HIS 174 N 0.37 3.12 0.22 0.29 3.76 -0.69 -1.92 115.29 120.43 2o3o s HIS 174 Ca 0.30 -0.27 0.10 0.00 -0.15 0.00 0.00 55.06 55.03 2o3o s HIS 174 Cb -0.17 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2o3o s HIS 174 CO 0.14 -0.17 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.24 2o3o s LEU 175 N 1.08 2.89 -0.07 0.89 1.43 -0.68 -0.93 118.68 123.30 2o3o s LEU 175 Ca 0.04 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.22 2o3o s LEU 175 Cb -0.14 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.60 2o3o s LEU 175 CO 0.03 0.07 0.50 0.21 0.23 0.00 0.00 176.35 177.39 2o3o s ASN 176 N -3.10 -0.45 0.00 2.29 2.47 -1.06 -4.86 114.94 110.24 2o3o s ASN 176 Ca 0.26 0.54 0.00 0.00 0.42 0.00 0.00 52.86 54.08 2o3o s ASN 176 Cb -0.08 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 2o3o s ASN 176 CO 0.15 -0.46 0.00 0.61 -3.72 0.00 0.00 177.10 173.69 2o3o n GLY 177 N 1.44 0.36 3.69 1.21 0.00 -1.26 -3.95 105.19 106.67 2o3o n GLY 177 Ca -0.19 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2o3o n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o3o s LYS 178 N 0.00 4.27 0.00 1.61 1.02 -1.26 -4.71 119.74 120.68 2o3o s LYS 178 Ca 0.00 1.98 0.00 0.00 0.02 0.00 0.00 55.97 57.97 2o3o s LYS 178 Cb 0.00 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2o3o s LYS 178 CO 0.00 -0.60 0.00 0.09 -0.92 0.00 0.00 175.35 173.92 2o3o n ASN 179 N 5.48 0.00 -3.88 2.83 3.02 -1.26 -4.82 115.26 116.62 2o3o n ASN 179 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.46 2o3o n ASN 179 Cb 0.43 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.00 0.97 -0.12 3.52 2.02 -1.25 -0.06 118.70 123.78 2o3o s GLU 180 Ca 0.00 -0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 2o3o s GLU 180 Cb 0.00 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.18 2o3o s GLU 180 CO 0.00 -0.14 1.16 0.08 0.02 0.00 0.00 175.26 176.38 2o3o s VAL 181 N 1.22 4.42 -0.23 2.63 1.01 -0.34 -2.56 120.40 126.55 2o3o s VAL 181 Ca -0.06 1.72 0.09 0.00 0.00 0.00 0.00 61.98 63.73 2o3o s VAL 181 Cb -0.14 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 31.93 2o3o s VAL 181 CO -0.02 -0.06 -0.06 0.52 0.00 0.00 0.00 175.10 175.48 2o3o n VAL 182 N 4.91 1.46 -3.83 2.92 0.31 -0.10 -2.19 118.33 121.80 2o3o n VAL 182 Ca 0.11 -0.70 -0.07 0.00 -0.01 0.00 0.00 64.34 63.68 2o3o n VAL 182 Cb 0.46 -1.01 0.02 0.00 -0.91 0.00 0.00 33.84 32.40 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 -6.08 -0.01 0.08 4.52 1.04 -1.20 -1.98 113.70 110.07 2o3o s SER 183 Ca -0.23 -0.96 -0.20 0.00 0.48 0.00 0.00 55.95 55.04 2o3o s SER 183 Cb 0.08 0.72 0.04 0.00 0.10 0.00 0.00 66.02 66.97 2o3o s SER 183 CO 0.71 -1.43 0.47 -0.72 0.98 0.00 0.00 173.24 173.24 2o3o s TYR 184 N -2.33 -0.33 -0.01 5.02 -0.85 -1.26 -1.71 117.35 115.88 2o3o s TYR 184 Ca 0.17 0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.99 2o3o s TYR 184 Cb -0.04 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.57 2o3o s TYR 184 CO 0.09 -0.66 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.89 2o3o s ASP 185 N -2.26 4.64 -0.01 -0.18 1.01 -0.69 -4.10 116.67 115.08 2o3o s ASP 185 Ca -0.03 -0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.13 2o3o s ASP 185 Cb -0.00 -1.10 0.00 0.00 1.01 0.00 0.00 42.92 42.83 2o3o s ASP 185 CO -0.06 0.30 -0.04 -1.58 0.21 0.00 0.00 175.17 174.00 2o3o s GLN 186 N -1.30 0.41 0.02 8.23 0.74 -1.14 -1.42 119.66 125.20 2o3o s GLN 186 Ca 0.16 -0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.44 2o3o s GLN 186 Cb -0.11 -0.42 -0.01 0.00 1.10 0.00 0.00 33.01 33.57 2o3o s GLN 186 CO 0.06 0.08 -0.06 0.95 -0.55 0.00 0.00 175.29 175.77 2o3o s THR 187 N 0.03 0.41 0.00 -0.34 -4.23 0.14 -0.62 115.64 111.03 2o3o s THR 187 Ca 0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2o3o s THR 187 Cb -0.04 -0.42 -0.00 0.00 1.34 0.00 0.00 72.50 73.38 2o3o s THR 187 CO -0.00 -0.16 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.01 2o3o s THR 188 N -0.76 0.13 -0.07 3.99 2.01 -1.25 -1.55 115.64 118.14 2o3o s THR 188 Ca -0.05 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2o3o s THR 188 Cb -0.06 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2o3o s THR 188 CO 0.00 -0.06 0.03 -0.76 -0.69 0.00 0.00 174.62 173.15 2o3o s LEU 189 N -0.30 3.73 0.27 4.42 1.43 -1.26 -0.18 118.68 126.79 2o3o s LEU 189 Ca -0.02 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2o3o s LEU 189 Cb -0.02 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2o3o s LEU 189 CO -0.00 0.35 0.18 -1.83 0.23 0.00 0.00 176.35 175.28 2o3o s GLU 190 N -1.13 1.48 -1.19 1.70 -1.05 -0.45 -4.89 118.70 113.16 2o3o s GLU 190 Ca 0.16 -1.82 -0.07 0.00 -0.15 0.00 0.00 54.97 53.09 2o3o s GLU 190 Cb -0.12 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.71 2o3o s GLU 190 CO 0.05 -0.47 0.80 2.41 0.95 0.00 0.00 175.26 179.00 2o3o n THR 191 N -0.47 -6.08 -2.36 1.83 -1.04 -1.26 -0.57 114.28 104.34 2o3o n THR 191 Ca 0.03 -0.82 -0.42 0.00 -2.04 0.00 0.00 64.05 60.80 2o3o n THR 191 Cb 0.65 -4.69 -0.03 0.00 -1.82 0.00 0.00 70.33 64.44 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 -3.53 3.40 0.00 -1.42 0.40 -1.26 -4.18 117.98 111.39 2o3o s PHE 192 Ca 0.23 1.28 0.07 0.00 -0.60 0.00 0.00 56.93 57.91 2o3o s PHE 192 Cb -0.06 -3.47 -0.02 0.00 0.51 0.00 0.00 43.02 39.98 2o3o s PHE 192 CO 0.80 -1.45 -0.20 0.15 0.70 0.00 0.00 175.22 175.21 2o3o s LYS 193 N 0.55 1.55 -0.20 0.44 -0.14 -0.52 -4.95 119.74 116.48 2o3o s LYS 193 Ca 0.57 -0.80 -0.17 0.00 -1.36 0.00 0.00 55.97 54.22 2o3o s LYS 193 Cb -0.32 -1.55 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 2o3o s LYS 193 CO 0.32 0.42 0.43 -0.65 -0.76 0.00 0.00 175.35 175.11 2o3o s GLN 194 N -0.71 4.18 0.00 1.68 -0.21 -1.26 -1.08 119.66 122.26 2o3o s GLN 194 Ca 0.08 0.26 0.05 0.00 0.02 0.00 0.00 55.36 55.77 2o3o s GLN 194 Cb -0.08 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 2o3o s GLN 194 CO 0.00 -0.06 0.27 0.44 -2.12 0.00 0.00 175.29 173.82 2o3o n ILE 195 N 4.37 0.00 -3.35 1.08 -5.35 -0.27 -4.97 119.36 110.88 2o3o n ILE 195 Ca -0.07 -0.39 0.02 0.00 -0.27 0.00 0.00 62.75 62.04 2o3o n ILE 195 Cb 0.51 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.38 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 -1.40 0.25 0.01 6.28 0.74 -1.24 -4.98 119.66 119.32 2o3o s GLN 196 Ca 0.02 0.61 -0.20 0.00 0.05 0.00 0.00 55.36 55.84 2o3o s GLN 196 Cb 0.04 0.36 -0.06 0.00 1.10 0.00 0.00 33.01 34.46 2o3o s GLN 196 CO 0.20 -0.10 0.59 -1.59 -0.55 0.00 0.00 175.29 173.84 2o3o s LYS 197 N 2.43 4.29 0.14 1.67 -2.85 -1.26 -1.18 119.74 122.98 2o3o s LYS 197 Ca -0.02 0.73 -0.02 0.00 -1.00 0.00 0.00 55.97 55.66 2o3o s LYS 197 Cb -0.06 -3.32 -0.03 0.00 -2.06 0.00 0.00 37.83 32.36 2o3o s LYS 197 CO -0.17 0.42 0.11 -1.21 0.10 0.00 0.00 175.35 174.60 2o3o s GLU 198 N -0.37 1.00 0.03 1.78 2.02 -0.61 -4.99 118.70 117.56 2o3o s GLU 198 Ca 0.31 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.58 2o3o s GLU 198 Cb -0.18 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.26 2o3o s GLU 198 CO 0.17 -0.30 1.23 0.45 0.02 0.00 0.00 175.26 176.83 2o3o s SER 199 N -3.05 7.03 0.46 -0.19 0.15 -1.26 -0.56 113.70 116.28 2o3o s SER 199 Ca 0.24 2.00 -0.04 0.00 0.70 0.00 0.00 55.95 58.86 2o3o s SER 199 Cb 0.07 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2o3o s SER 199 CO 0.03 -0.53 0.74 -0.76 1.20 0.00 0.00 173.24 173.92 2o3o s LEU 200 N 1.46 3.70 0.39 3.45 1.43 0.21 -1.87 118.68 127.44 2o3o s LEU 200 Ca 0.59 0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 54.45 2o3o s LEU 200 Cb -0.29 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 2o3o s LEU 200 CO 0.27 -0.53 0.73 0.27 0.23 0.00 0.00 176.35 177.33 2o3o s ILE 201 N -2.66 4.84 0.68 -0.59 -4.36 0.21 -4.00 121.20 115.31 2o3o s ILE 201 Ca 0.46 0.48 -0.11 0.00 -0.26 0.00 0.00 60.65 61.23 2o3o s ILE 201 Cb -0.10 -3.74 -0.00 0.00 1.25 0.00 0.00 42.46 39.86 2o3o s ILE 201 CO 0.43 -0.51 1.06 0.42 0.24 0.00 0.00 174.94 176.58 2o3o s THR 202 N -2.35 4.14 -0.80 8.37 -4.23 -1.26 -4.80 115.64 114.71 2o3o s THR 202 Ca 0.50 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2o3o s THR 202 Cb -0.10 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2o3o s THR 202 CO 0.32 -0.91 0.00 -0.62 -0.54 0.00 0.00 174.62 172.87 2o3o n GLU 203 N -3.02 0.00 0.00 3.99 1.02 -1.08 -1.31 120.64 120.24 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 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 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 0.17 0.00 -0.22 1.62 10.43 -1.26 -2.50 116.55 124.79 2o3o n ASP 205 Ca 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.33 2o3o n ASP 205 Cb 0.00 0.00 0.15 0.00 1.84 0.00 0.00 41.12 43.11 2o3o n ASP 205 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2o3o h ALA 206 N 0.00 1.21 -0.41 2.24 0.00 -1.53 0.49 119.26 121.26 2o3o h ALA 206 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2o3o h ALA 206 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2o3o h ALA 206 CO 0.00 0.59 -0.15 0.28 0.00 0.00 0.00 179.25 179.96 2o3o h VAL 207 N 1.01 1.28 -0.80 0.00 2.07 -1.77 -2.47 116.25 115.55 2o3o h VAL 207 Ca 0.24 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.51 2o3o h VAL 207 Cb 0.15 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2o3o h VAL 207 CO -0.03 0.43 0.53 -0.33 0.02 0.00 0.00 177.57 178.19 2o3o h GLU 208 N 0.65 0.99 -0.56 1.57 5.08 -1.67 -1.80 114.58 118.84 2o3o h GLU 208 Ca 0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2o3o h GLU 208 Cb 0.70 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2o3o h GLU 208 CO 0.05 0.65 0.33 1.25 -1.00 0.00 0.00 179.01 180.30 2o3o h LEU 209 N 1.02 0.69 -0.51 1.33 5.85 -0.70 0.11 115.31 123.10 2o3o h LEU 209 Ca 0.31 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2o3o h LEU 209 Cb -0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2o3o h LEU 209 CO -0.08 0.56 0.30 -0.07 -0.34 0.00 0.00 178.44 178.80 2o3o h LEU 210 N 0.76 0.47 0.08 2.25 3.38 -0.91 -2.04 115.31 119.29 2o3o h LEU 210 Ca 0.20 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2o3o h LEU 210 Cb 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2o3o h LEU 210 CO -0.04 0.33 -0.04 0.22 0.09 0.00 0.00 178.44 179.01 2o3o h TYR 211 N 0.59 -0.10 -0.94 1.13 3.20 -0.86 -2.64 116.97 117.36 2o3o h TYR 211 Ca 0.21 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.31 2o3o h TYR 211 Cb 0.04 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.22 2o3o h TYR 211 CO -0.07 0.03 0.48 -0.92 -1.64 0.00 0.00 178.16 176.04 2o3o h TYR 212 N -0.20 0.82 -0.50 -3.82 3.20 -0.58 0.96 116.97 116.84 2o3o h TYR 212 Ca -0.01 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.71 2o3o h TYR 212 Cb 0.17 -0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.11 2o3o h TYR 212 CO -0.04 0.01 0.23 1.04 -1.64 0.00 0.00 178.16 177.76 2o3o n GLN 213 N -4.97 2.43 -2.85 1.82 6.02 -0.79 -4.90 117.38 114.14 2o3o n GLN 213 Ca 0.24 -1.86 -0.22 0.00 -0.01 0.00 0.00 57.00 55.15 2o3o n GLN 213 Cb 0.69 -1.82 0.02 0.00 1.02 0.00 0.00 30.24 30.15 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 -0.14 -5.90 0.01 1.08 4.05 0.33 -4.87 115.26 109.82 2o3o n ASN 214 Ca 0.28 -0.20 0.08 0.00 0.45 0.00 0.00 54.58 55.19 2o3o n ASN 214 Cb 1.06 -4.82 -0.12 0.00 1.23 0.00 0.00 39.78 37.12 2o3o n ASN 214 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2o3o n GLN 215 N -3.70 0.65 -3.62 1.20 1.13 -1.03 -4.93 117.38 107.07 2o3o n GLN 215 Ca -0.15 -0.07 -0.36 0.00 -1.94 0.00 0.00 57.00 54.48 2o3o n GLN 215 Cb 0.64 -1.61 -0.08 0.00 0.11 0.00 0.00 30.24 29.30 2o3o n GLN 215 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2o3o s LEU 216 N -4.92 4.19 0.54 1.08 1.43 -1.26 -5.03 118.68 114.72 2o3o s LEU 216 Ca -0.06 0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 53.20 2o3o s LEU 216 Cb 0.12 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 2o3o s LEU 216 CO 0.87 0.10 0.99 -0.54 0.23 0.00 0.00 176.35 178.00 2o3o s LYS 217 N 0.65 3.85 0.63 1.70 1.02 -1.26 -5.01 119.74 121.32 2o3o s LYS 217 Ca 0.11 0.88 -0.18 0.00 0.02 0.00 0.00 55.97 56.81 2o3o s LYS 217 Cb -0.12 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2o3o s LYS 217 CO 0.02 -0.34 0.81 0.39 -0.92 0.00 0.00 175.35 175.31 2o3o n GLU 218 N -1.87 0.66 -2.13 1.68 1.02 -1.26 -2.98 120.64 115.76 2o3o n GLU 218 Ca 0.06 0.27 -0.17 0.00 -0.02 0.00 0.00 57.16 57.30 2o3o n GLU 218 Cb 0.54 -2.02 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.94 -0.87 -3.50 -0.32 4.02 -0.19 -4.95 117.16 109.40 2o3o n TYR 219 Ca 0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.78 2o3o n TYR 219 Cb 0.48 -3.31 -0.02 0.00 -0.02 0.00 0.00 39.34 36.47 2o3o n TYR 219 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2o3o s SER 220 N -2.17 6.32 -0.10 7.72 1.04 -1.16 -4.72 113.70 120.64 2o3o s SER 220 Ca 0.00 0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.86 2o3o s SER 220 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 2o3o s SER 220 CO 0.00 -0.23 -0.16 -0.89 0.98 0.00 0.00 173.24 172.95 2o3o s THR 221 N -2.20 2.87 -0.57 2.02 2.01 0.14 -1.96 115.64 117.95 2o3o s THR 221 Ca 0.39 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 2o3o s THR 221 Cb -0.10 -2.16 0.07 0.00 0.01 0.00 0.00 72.50 70.33 2o3o s THR 221 CO 0.34 0.55 0.78 -0.69 -0.69 0.00 0.00 174.62 174.91 2o3o s VAL 222 N -0.04 4.65 0.10 3.82 1.01 0.06 -0.65 120.40 129.36 2o3o s VAL 222 Ca -0.04 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2o3o s VAL 222 Cb -0.14 -4.48 -0.14 0.00 0.00 0.00 0.00 36.38 31.62 2o3o s VAL 222 CO 0.04 -1.10 1.36 0.11 0.00 0.00 0.00 175.10 175.52 2o3o h LYS 223 N 9.23 0.00 -2.24 2.72 1.79 -1.28 -3.42 116.57 123.38 2o3o h LYS 223 Ca -0.28 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.20 2o3o h LYS 223 Cb 1.08 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.56 2o3o h LYS 223 CO 1.07 0.86 0.32 -1.54 -1.08 0.00 0.00 179.45 179.08 2o3o s SER 224 N -6.68 -0.53 -0.39 0.86 1.04 -1.13 -4.98 113.70 101.89 2o3o s SER 224 Ca 0.01 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.80 2o3o s SER 224 Cb 0.10 0.48 0.15 0.00 0.10 0.00 0.00 66.02 66.86 2o3o s SER 224 CO 0.80 -0.66 0.28 0.00 0.98 0.00 0.00 173.24 174.64 2o3o s LYS 226 N 0.51 3.56 0.09 0.00 -0.14 -0.98 -4.86 119.74 117.93 2o3o s LYS 226 Ca 0.25 -0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.68 2o3o s LYS 226 Cb -0.10 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 2o3o s LYS 226 CO -0.10 0.46 0.16 0.12 -0.76 0.00 0.00 175.35 175.24 2o3o s PHE 227 N -1.71 3.33 0.00 3.18 2.19 -1.26 -0.06 117.98 123.66 2o3o s PHE 227 Ca 0.40 0.13 0.00 0.00 0.33 0.00 0.00 56.93 57.78 2o3o s PHE 227 Cb -0.12 -1.66 0.00 0.00 -1.31 0.00 0.00 43.02 39.93 2o3o s PHE 227 CO 0.26 0.54 0.00 0.41 1.83 0.00 0.00 175.22 178.27 2o3o n GLY 228 N 0.15 0.57 3.19 13.12 0.00 -0.98 -4.23 105.19 117.01 2o3o n GLY 228 Ca -0.07 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2o3o n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o3o s TYR 229 N -2.13 1.18 0.09 1.61 1.51 -0.38 -0.71 117.35 118.52 2o3o s TYR 229 Ca 0.00 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.52 2o3o s TYR 229 Cb 0.00 -0.64 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 2o3o s TYR 229 CO 0.00 0.05 -0.12 0.14 -1.11 0.00 0.00 175.55 174.51 2o3o s VAL 230 N -2.14 1.06 -0.14 0.71 -7.23 -0.28 0.14 120.40 112.52 2o3o s VAL 230 Ca 0.05 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 2o3o s VAL 230 Cb -0.05 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 2o3o s VAL 230 CO 0.01 -0.41 1.34 0.00 -0.31 0.00 0.00 175.10 175.73 2o3o s ALA 231 N -1.95 3.65 -0.00 1.32 0.00 -1.26 -1.27 121.76 122.24 2o3o s ALA 231 Ca 0.03 0.57 0.11 0.00 0.00 0.00 0.00 51.96 52.67 2o3o s ALA 231 Cb -0.06 -3.64 -0.20 0.00 0.00 0.00 0.00 23.12 19.22 2o3o s ALA 231 CO 0.01 -1.19 0.94 0.37 0.00 0.00 0.00 175.76 175.89 2o3o h GLN 232 N 8.42 0.00 0.00 0.00 4.15 -1.19 -3.48 115.11 123.01 2o3o h GLN 232 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2o3o h GLN 232 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2o3o h GLN 232 CO 0.96 0.64 0.00 2.48 -1.93 0.00 0.00 178.83 180.98 2o3o n TYR 233 N -3.14 0.00 -2.64 3.99 0.18 -1.25 -5.06 117.16 109.25 2o3o n TYR 233 Ca -0.09 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.46 2o3o n TYR 233 Cb 0.97 0.00 0.11 0.00 -0.38 0.00 0.00 39.34 40.05 2o3o n TYR 233 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 2o3o n PRO 234 N -0.53 -0.05 -2.77 -3.48 -0.04 -1.26 -2.63 135.00 124.25 2o3o n PRO 234 Ca 0.00 -2.71 -0.02 0.00 -0.04 0.00 0.00 63.50 60.73 2o3o n PRO 234 Cb 0.00 -0.62 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 2o3o n PRO 234 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o3o s LEU 235 N 0.00 -0.75 0.00 1.53 1.43 -0.03 -4.87 118.68 115.98 2o3o s LEU 235 Ca 0.65 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2o3o s LEU 235 Cb -0.04 0.98 0.00 0.00 0.03 0.00 0.00 46.19 47.16 2o3o s LEU 235 CO 0.43 -0.04 0.00 0.41 0.23 0.00 0.00 176.35 177.38 2o3o n THR 236 N 3.04 0.00 0.75 5.49 -1.04 -1.26 -2.34 114.28 118.92 2o3o n THR 236 Ca 0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.25 2o3o n THR 236 Cb 0.61 0.00 0.49 0.00 -1.82 0.00 0.00 70.33 69.61 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 5.45 0.24 -4.77 8.00 2.88 -1.26 -4.83 113.62 119.32 2o3o n SER 237 Ca 0.00 0.53 -0.39 0.00 -1.33 0.00 0.00 58.87 57.68 2o3o n SER 237 Cb 0.00 -0.59 -0.06 0.00 -0.75 0.00 0.00 64.21 62.81 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 -3.05 4.66 -0.08 2.46 2.01 -0.99 -2.21 115.64 118.44 2o3o s THR 238 Ca 0.11 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.59 2o3o s THR 238 Cb 0.14 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2o3o s THR 238 CO 0.47 0.47 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.69 2o3o s GLN 239 N -0.65 2.84 -0.17 4.92 -1.52 0.09 -0.85 119.66 124.31 2o3o s GLN 239 Ca 0.34 -0.57 -0.07 0.00 -1.95 0.00 0.00 55.36 53.11 2o3o s GLN 239 Cb -0.21 -2.60 -0.04 0.00 -0.22 0.00 0.00 33.01 29.95 2o3o s GLN 239 CO 0.22 0.59 0.04 0.08 -0.25 0.00 0.00 175.29 175.97 2o3o s VAL 240 N -0.62 4.60 -0.06 1.09 1.01 -1.08 -1.41 120.40 123.93 2o3o s VAL 240 Ca 0.09 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2o3o s VAL 240 Cb -0.12 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 2o3o s VAL 240 CO 0.02 0.47 -0.20 -0.76 0.00 0.00 0.00 175.10 174.63 2o3o s LEU 241 N 0.32 1.96 0.06 3.92 1.43 0.91 -0.55 118.68 126.72 2o3o s LEU 241 Ca 0.02 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2o3o s LEU 241 Cb -0.13 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2o3o s LEU 241 CO 0.01 0.16 -0.18 0.00 0.23 0.00 0.00 176.35 176.57 2o3o s ALA 242 N 0.13 2.61 0.53 4.21 0.00 -0.40 -1.71 121.76 127.13 2o3o s ALA 242 Ca -0.08 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 2o3o s ALA 242 Cb -0.14 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 2o3o s ALA 242 CO 0.04 0.58 1.12 -1.25 0.00 0.00 0.00 175.76 176.24 2o3o s PRO 243 N -1.58 3.46 0.04 0.00 0.04 -1.26 -1.13 135.00 134.57 2o3o s PRO 243 Ca 0.15 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 2o3o s PRO 243 Cb -0.10 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2o3o s PRO 243 CO 0.06 -0.75 0.02 0.14 0.04 0.00 0.00 177.00 176.51 2o3o s VAL 244 N -1.79 0.16 -0.18 -0.36 -7.23 0.11 -1.04 120.40 110.08 2o3o s VAL 244 Ca 0.71 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 2o3o s VAL 244 Cb -0.23 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 2o3o s VAL 244 CO 0.26 -0.73 0.17 0.26 -0.31 0.00 0.00 175.10 174.76 2o3o s TRP 245 N -2.86 3.45 -0.60 2.82 0.52 0.16 -2.32 118.94 120.11 2o3o s TRP 245 Ca -0.03 0.42 -0.09 0.00 0.02 0.00 0.00 56.10 56.42 2o3o s TRP 245 Cb 0.00 -2.18 0.15 0.00 -1.15 0.00 0.00 33.47 30.30 2o3o s TRP 245 CO -0.06 0.33 0.48 0.50 0.02 0.00 0.00 176.95 178.22 2o3o s ARG 246 N 0.21 2.79 -0.24 4.98 3.00 0.92 -0.90 118.95 129.70 2o3o s ARG 246 Ca 0.11 -2.13 -0.14 0.00 -1.00 0.00 0.00 55.73 52.58 2o3o s ARG 246 Cb -0.12 -4.01 -0.04 0.00 0.00 0.00 0.00 34.95 30.78 2o3o s ARG 246 CO 0.00 -1.22 0.31 0.42 0.00 0.00 0.00 175.30 174.81 2o3o s ILE 247 N 0.72 5.24 -0.16 4.11 1.01 -0.03 -2.31 121.20 129.79 2o3o s ILE 247 Ca 0.11 0.47 -0.07 0.00 0.00 0.00 0.00 60.65 61.16 2o3o s ILE 247 Cb -0.21 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2o3o s ILE 247 CO -0.03 0.25 0.10 -0.89 0.00 0.00 0.00 174.94 174.36 2o3o s THR 248 N 1.52 5.13 0.04 2.92 2.01 -0.87 -0.94 115.64 125.45 2o3o s THR 248 Ca 0.14 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.26 2o3o s THR 248 Cb -0.15 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2o3o s THR 248 CO 0.08 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.70 2o3o s VAL 249 N -0.20 1.13 0.04 3.82 1.01 -0.59 -0.78 120.40 124.83 2o3o s VAL 249 Ca 0.09 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2o3o s VAL 249 Cb -0.12 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2o3o s VAL 249 CO 0.01 0.02 -0.07 -1.83 0.00 0.00 0.00 175.10 173.23 2o3o s GLU 250 N -1.12 0.51 0.25 2.72 -1.05 0.18 -0.79 118.70 119.40 2o3o s GLU 250 Ca 0.02 -0.78 -0.13 0.00 -0.15 0.00 0.00 54.97 53.93 2o3o s GLU 250 Cb -0.08 -0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.39 2o3o s GLU 250 CO 0.01 0.03 0.47 1.52 0.95 0.00 0.00 175.26 178.24 2o3o s TYR 251 N -1.58 0.37 0.52 4.83 -0.85 -0.68 -0.68 117.35 119.28 2o3o s TYR 251 Ca -0.09 -0.73 -0.07 0.00 -0.52 0.00 0.00 57.07 55.66 2o3o s TYR 251 Cb -0.09 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 2o3o s TYR 251 CO -0.00 -0.99 0.86 -1.21 -1.52 0.00 0.00 175.55 172.68 2o3o s GLU 252 N -4.02 3.54 -0.26 -3.49 0.41 -1.26 -1.46 118.70 112.16 2o3o s GLU 252 Ca 0.22 0.34 0.10 0.00 -0.41 0.00 0.00 54.97 55.23 2o3o s GLU 252 Cb -0.01 -2.29 0.32 0.00 -1.78 0.00 0.00 34.13 30.37 2o3o s GLU 252 CO 0.09 -0.32 1.42 1.17 -0.49 0.00 0.00 175.26 177.13 2o3o n LYS 253 N -2.40 1.05 -0.34 1.61 4.81 0.04 -4.86 118.16 118.07 2o3o n LYS 253 Ca 0.02 -1.19 0.00 0.00 -0.87 0.00 0.00 58.31 56.27 2o3o n LYS 253 Cb 0.55 0.43 0.00 0.00 0.02 0.00 0.00 35.03 36.02 2o3o n LYS 253 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2o3o n GLU 258 N -1.19 0.00 -2.60 1.64 2.13 -1.26 -3.61 120.64 115.75 2o3o n GLU 258 Ca -0.20 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.21 2o3o n GLU 258 Cb 0.84 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.50 2o3o n GLU 258 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2o3o s LYS 259 N 0.00 4.67 -0.04 5.31 1.02 -1.26 -5.06 119.74 124.38 2o3o s LYS 259 Ca 0.00 1.63 0.06 0.00 0.02 0.00 0.00 55.97 57.68 2o3o s LYS 259 Cb 0.00 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2o3o s LYS 259 CO 0.00 0.20 -0.23 0.21 -0.92 0.00 0.00 175.35 174.62 2o3o s LYS 260 N -0.57 2.33 -0.69 1.68 2.47 -1.24 -5.09 119.74 118.63 2o3o s LYS 260 Ca 0.47 -0.86 -0.20 0.00 -1.56 0.00 0.00 55.97 53.82 2o3o s LYS 260 Cb -0.28 -2.16 0.11 0.00 -1.46 0.00 0.00 37.83 34.04 2o3o s LYS 260 CO 0.34 0.53 0.87 0.99 0.16 0.00 0.00 175.35 178.24 2o3o s THR 261 N -0.53 4.71 -0.03 3.43 2.01 -1.26 -0.78 115.64 123.20 2o3o s THR 261 Ca 0.07 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 2o3o s THR 261 Cb -0.11 -4.60 -0.04 0.00 0.01 0.00 0.00 72.50 67.76 2o3o s THR 261 CO 0.00 -1.29 0.16 -0.69 -0.69 0.00 0.00 174.62 172.11 2o3o s VAL 262 N 2.91 5.34 0.13 3.82 1.01 -0.53 -4.93 120.40 128.15 2o3o s VAL 262 Ca 0.19 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2o3o s VAL 262 Cb -0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2o3o s VAL 262 CO 0.03 0.38 -0.19 -1.10 0.00 0.00 0.00 175.10 174.22 2o3o s GLN 263 N -1.76 1.74 0.00 2.72 -0.21 -1.26 -1.69 119.66 119.20 2o3o s GLN 263 Ca 0.25 -1.25 0.05 0.00 0.02 0.00 0.00 55.36 54.43 2o3o s GLN 263 Cb -0.12 -2.07 -0.02 0.00 1.00 0.00 0.00 33.01 31.80 2o3o s GLN 263 CO 0.16 0.46 -0.16 -1.21 -2.12 0.00 0.00 175.29 172.42 2o3o s GLU 264 N -2.27 1.24 -0.14 2.91 2.02 0.03 -5.00 118.70 117.49 2o3o s GLU 264 Ca 0.19 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.54 2o3o s GLU 264 Cb -0.10 -1.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.90 2o3o s GLU 264 CO 0.10 0.33 -0.16 0.71 0.02 0.00 0.00 175.26 176.26 2o3o s TYR 265 N -0.50 2.75 0.10 1.61 1.51 -1.26 -1.54 117.35 120.01 2o3o s TYR 265 Ca 0.06 -0.89 0.10 0.00 -1.01 0.00 0.00 57.07 55.32 2o3o s TYR 265 Cb -0.07 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2o3o s TYR 265 CO -0.00 -0.37 -0.25 -0.06 -1.11 0.00 0.00 175.55 173.77 2o3o s PHE 266 N 0.55 2.37 -0.21 2.71 0.40 -0.11 -5.00 117.98 118.70 2o3o s PHE 266 Ca -0.10 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 2o3o s PHE 266 Cb -0.16 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.09 2o3o s PHE 266 CO 0.04 0.28 -0.12 0.99 0.70 0.00 0.00 175.22 177.11 2o3o s THR 267 N -0.99 1.77 -0.14 0.64 2.01 -1.26 -0.85 115.64 116.83 2o3o s THR 267 Ca 0.14 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 2o3o s THR 267 Cb -0.10 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2o3o s THR 267 CO 0.05 0.18 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.44 2o3o s VAL 268 N 1.34 3.95 0.03 3.82 1.01 -0.08 -4.95 120.40 125.52 2o3o s VAL 268 Ca -0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2o3o s VAL 268 Cb -0.16 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 2o3o s VAL 268 CO -0.08 0.51 1.59 0.21 0.00 0.00 0.00 175.10 177.33 2o3o s ASN 269 N 0.12 6.67 0.27 3.32 3.04 -1.26 0.39 114.94 127.49 2o3o s ASN 269 Ca -0.01 2.35 0.25 0.00 0.04 0.00 0.00 52.86 55.49 2o3o s ASN 269 Cb -0.14 -2.56 0.60 0.00 -1.54 0.00 0.00 41.25 37.62 2o3o s ASN 269 CO 0.03 -0.85 1.66 0.00 -3.04 0.00 0.00 177.10 174.89 2o3o h ALA 270 N 8.43 0.94 -2.46 1.71 0.00 -1.39 -3.46 119.26 123.03 2o3o h ALA 270 Ca -0.41 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 2o3o h ALA 270 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2o3o h ALA 270 CO 0.93 0.00 0.60 -0.51 0.00 0.00 0.00 179.25 180.26 2o3o s LEU 271 N -5.01 4.36 -0.44 0.00 1.43 -1.26 -0.62 118.68 117.14 2o3o s LEU 271 Ca 0.09 2.01 -0.21 0.00 -1.03 0.00 0.00 54.13 54.99 2o3o s LEU 271 Cb 0.10 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.77 2o3o s LEU 271 CO 0.64 -0.50 0.66 -0.70 0.23 0.00 0.00 176.35 176.67 2o3o s GLU 272 N 1.26 3.28 -0.37 1.70 2.12 -0.78 -4.78 118.70 121.13 2o3o s GLU 272 Ca 0.59 -0.38 0.13 0.00 0.36 0.00 0.00 54.97 55.66 2o3o s GLU 272 Cb -0.29 -3.96 0.40 0.00 0.26 0.00 0.00 34.13 30.53 2o3o s GLU 272 CO 0.28 -1.04 1.00 -1.13 -0.54 0.00 0.00 175.26 173.84 2o3o n SER 273 N 6.31 0.03 -0.08 -1.70 3.41 -1.26 -4.68 113.62 115.64 2o3o n SER 273 Ca -0.02 -2.88 -0.17 0.00 -0.26 0.00 0.00 58.87 55.54 2o3o n SER 273 Cb 0.48 0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.43 2o3o n SER 273 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2o3o h THR 274 N 2.26 1.49 -3.68 6.66 1.35 -2.01 -3.44 112.91 115.54 2o3o h THR 274 Ca -0.08 -2.28 -0.65 0.00 -0.55 0.00 0.00 66.41 62.85 2o3o h THR 274 Cb 1.14 2.98 -0.22 0.00 -1.73 0.00 0.00 68.15 70.32 2o3o h THR 274 CO 0.33 0.50 -0.61 -0.63 -0.25 0.00 0.00 175.52 174.86 2o3o s ILE 275 N -2.27 4.47 -0.19 6.82 1.01 -1.26 -4.99 121.20 124.80 2o3o s ILE 275 Ca -0.22 -0.12 0.17 0.00 0.00 0.00 0.00 60.65 60.48 2o3o s ILE 275 Cb 0.00 -3.10 -0.24 0.00 0.01 0.00 0.00 42.46 39.13 2o3o s ILE 275 CO 0.65 0.33 0.10 0.18 0.00 0.00 0.00 174.94 176.20 2o3o n LEU 276 N 4.92 0.24 -3.78 2.97 4.77 -1.26 -5.01 117.00 119.85 2o3o n LEU 276 Ca -0.16 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 2o3o n LEU 276 Cb 0.51 0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.92 2o3o n LEU 276 CO 0.31 0.52 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.27 2o3o s ASP 277 N -5.60 -0.10 0.00 -1.43 2.15 -1.26 -5.23 116.67 105.20 2o3o s ASP 277 Ca -0.11 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2o3o s ASP 277 Cb 0.06 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 2o3o s ASP 277 CO 0.82 -0.57 0.16 0.41 -0.17 0.00 0.00 175.17 175.81