#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 1.62 0.00 1.64 4.07 -1.26 -4.72 120.64 121.98 2o3o n GLU 35 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 2o3o n GLU 35 Cb 0.00 -0.37 0.49 0.00 -0.06 0.00 0.00 31.44 31.50 2o3o n GLU 35 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2o3o n TYR 36 N -0.32 0.00 0.02 4.31 0.18 -1.26 -2.43 117.16 117.66 2o3o n TYR 36 Ca 0.00 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.75 2o3o n TYR 36 Cb 0.00 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.94 2o3o n TYR 36 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2o3o h GLU 37 N 0.00 -0.16 -0.98 -3.48 4.57 -1.98 -1.96 114.58 110.59 2o3o h GLU 37 Ca 0.00 0.01 0.33 0.00 -1.18 0.00 0.00 59.36 58.52 2o3o h GLU 37 Cb 0.00 0.04 -0.17 0.00 -0.16 0.00 0.00 28.75 28.46 2o3o h GLU 37 CO 0.00 -0.04 0.40 0.28 -1.18 0.00 0.00 179.01 178.47 2o3o h VAL 38 N -1.03 0.14 0.12 0.32 2.07 -1.79 0.10 116.25 116.18 2o3o h VAL 38 Ca -0.02 -0.04 -0.29 0.00 0.82 0.00 0.00 66.70 67.17 2o3o h VAL 38 Cb 0.19 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2o3o h VAL 38 CO 0.03 0.02 -1.42 0.40 0.02 0.00 0.00 177.57 176.62 2o3o h ILE 39 N 0.13 1.29 -0.15 4.57 1.08 -1.60 -1.21 117.51 121.61 2o3o h ILE 39 Ca 0.72 -2.90 -0.20 0.00 -0.39 0.00 0.00 64.86 62.09 2o3o h ILE 39 Cb 1.70 2.83 0.00 0.00 -3.07 0.00 0.00 36.82 38.28 2o3o h ILE 39 CO -0.73 0.84 -0.72 0.11 -0.69 0.00 0.00 178.15 176.95 2o3o h LYS 40 N 0.07 0.68 -0.00 2.37 1.57 -0.24 -1.90 116.57 119.13 2o3o h LYS 40 Ca -0.20 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 2o3o h LYS 40 Cb 2.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.41 2o3o h LYS 40 CO 0.18 1.15 -0.10 0.27 -0.57 0.00 0.00 179.45 180.38 2o3o n ASN 41 N -3.92 0.15 0.01 0.86 0.23 0.17 -1.46 115.26 111.30 2o3o n ASN 41 Ca -0.06 0.12 -0.13 0.00 -0.53 0.00 0.00 54.58 53.98 2o3o n ASN 41 Cb 0.71 -0.28 -0.09 0.00 -2.08 0.00 0.00 39.78 38.04 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 0.08 -0.05 -0.34 0.53 5.19 -0.88 -2.90 116.42 118.05 2o3o h ASP 42 Ca 0.00 -0.42 -0.04 0.00 -0.62 0.00 0.00 57.03 55.95 2o3o h ASP 42 Cb 0.44 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 2o3o h ASP 42 CO 0.00 0.41 0.10 0.58 -3.12 0.00 0.00 179.24 177.20 2o3o h VAL 43 N -0.53 1.19 -0.22 -1.35 2.07 -1.25 -1.83 116.25 114.33 2o3o h VAL 43 Ca -0.01 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2o3o h VAL 43 Cb 0.47 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2o3o h VAL 43 CO 0.01 0.25 0.11 -0.08 0.02 0.00 0.00 177.57 177.88 2o3o h GLU 44 N 0.61 0.32 -0.12 1.57 4.57 -1.31 -3.11 114.58 117.09 2o3o h GLU 44 Ca 0.14 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2o3o h GLU 44 Cb 0.24 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2o3o h GLU 44 CO -0.00 0.33 0.02 0.45 -1.18 0.00 0.00 179.01 178.62 2o3o h HIS 45 N 0.23 0.22 0.00 0.92 3.86 -1.29 -2.43 115.15 116.66 2o3o h HIS 45 Ca 0.08 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2o3o h HIS 45 Cb 0.11 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2o3o h HIS 45 CO -0.02 0.40 0.00 -0.25 0.86 0.00 0.00 177.93 178.92 2o3o n ASP 46 N -4.82 0.00 0.00 2.45 10.43 -0.71 -0.42 116.55 123.48 2o3o n ASP 46 Ca -0.06 -0.09 0.00 0.00 2.57 0.00 0.00 54.79 57.22 2o3o n ASP 46 Cb 0.18 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.14 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 1.01 0.00 0.16 -1.24 4.01 -0.92 -2.18 118.16 119.01 2o3o n LYS 48 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.81 2o3o n LYS 48 Cb 0.00 0.00 0.28 0.00 -0.51 0.00 0.00 35.03 34.80 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 1.21 -0.61 7.82 0.00 -1.03 -2.82 119.26 123.83 2o3o h ALA 49 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2o3o h ALA 49 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2o3o h ALA 49 CO 0.00 0.60 0.00 -0.25 0.00 0.00 0.00 179.25 179.60 2o3o n ASP 50 N -3.97 3.49 -3.80 0.00 8.00 -0.93 -4.96 116.55 114.38 2o3o n ASP 50 Ca -0.02 -2.08 -0.24 0.00 0.71 0.00 0.00 54.79 53.17 2o3o n ASP 50 Cb 0.50 -0.44 0.01 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 1.25 -1.80 -3.37 1.24 8.25 -1.07 -1.61 115.22 118.11 2o3o n HIS 51 Ca 0.21 0.77 -0.38 0.00 -0.26 0.00 0.00 57.72 58.06 2o3o n HIS 51 Cb 0.58 -4.04 -0.06 0.00 1.12 0.00 0.00 29.99 27.59 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 -3.78 5.19 -0.15 1.59 1.01 -1.26 -2.80 121.20 121.00 2o3o s ILE 52 Ca 0.05 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.59 2o3o s ILE 52 Cb -0.01 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.69 2o3o s ILE 52 CO 0.85 0.36 -0.20 -0.89 0.00 0.00 0.00 174.94 175.06 2o3o s THR 53 N 0.41 2.19 0.08 2.92 2.01 -0.79 -4.67 115.64 117.78 2o3o s THR 53 Ca 0.24 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2o3o s THR 53 Cb -0.15 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2o3o s THR 53 CO 0.10 0.54 -0.09 -0.72 -0.69 0.00 0.00 174.62 173.76 2o3o s TYR 54 N 0.92 0.89 -0.01 4.92 -0.85 -1.26 -0.54 117.35 121.42 2o3o s TYR 54 Ca -0.04 -0.65 -0.00 0.00 -0.52 0.00 0.00 57.07 55.86 2o3o s TYR 54 Cb -0.15 -0.51 0.01 0.00 0.38 0.00 0.00 41.96 41.69 2o3o s TYR 54 CO -0.04 -0.06 0.01 -1.21 -1.52 0.00 0.00 175.55 172.73 2o3o s GLU 55 N -2.52 -0.00 -1.46 -3.49 2.02 -1.26 -4.93 118.70 107.05 2o3o s GLU 55 Ca 0.01 0.06 -0.11 0.00 0.02 0.00 0.00 54.97 54.95 2o3o s GLU 55 Cb -0.04 -0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.18 2o3o s GLU 55 CO -0.01 -0.04 0.93 0.41 0.02 0.00 0.00 175.26 176.57 2o3o n GLY 56 N 3.35 -0.52 3.77 -1.39 0.00 -1.26 -4.96 105.19 104.19 2o3o n GLY 56 Ca -0.16 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -7.12 4.56 0.07 0.99 1.43 -1.26 -5.02 118.68 112.32 2o3o s LEU 57 Ca 0.56 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 55.12 2o3o s LEU 57 Cb -0.27 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.36 2o3o s LEU 57 CO 0.69 0.14 1.17 0.21 0.23 0.00 0.00 176.35 178.79 2o3o s ASN 58 N -1.27 7.12 0.00 2.29 3.84 -1.26 -4.91 114.94 120.76 2o3o s ASN 58 Ca 0.40 1.99 0.19 0.00 0.21 0.00 0.00 52.86 55.66 2o3o s ASN 58 Cb -0.23 -2.58 0.29 0.00 -0.55 0.00 0.00 41.25 38.18 2o3o s ASN 58 CO 0.27 -0.42 1.24 0.29 -2.79 0.00 0.00 177.10 175.69 2o3o n LYS 59 N 3.74 2.10 -3.95 0.43 5.02 -1.26 -2.69 118.16 121.55 2o3o n LYS 59 Ca 0.08 -1.96 -0.35 0.00 -2.02 0.00 0.00 58.31 54.06 2o3o n LYS 59 Cb 0.47 -1.41 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 2o3o n LYS 59 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2o3o s GLU 60 N -1.42 3.77 0.52 1.97 0.41 -1.26 -4.94 118.70 117.74 2o3o s GLU 60 Ca 0.29 -0.26 -0.22 0.00 -0.41 0.00 0.00 54.97 54.37 2o3o s GLU 60 Cb 0.18 -3.21 -0.06 0.00 -1.78 0.00 0.00 34.13 29.27 2o3o s GLU 60 CO 0.26 0.47 1.28 0.00 -0.49 0.00 0.00 175.26 176.77 2o3o s ALA 61 N -0.16 2.86 0.10 5.21 0.00 -1.26 -4.68 121.76 123.83 2o3o s ALA 61 Ca 0.09 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2o3o s ALA 61 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2o3o s ALA 61 CO 0.01 -1.10 -0.08 0.95 0.00 0.00 0.00 175.76 175.53 2o3o s THR 62 N -1.41 0.83 -0.10 0.00 -4.23 -1.26 -4.99 115.64 104.48 2o3o s THR 62 Ca 0.69 -1.76 -0.09 0.00 -1.18 0.00 0.00 61.69 59.35 2o3o s THR 62 Cb -0.36 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 2o3o s THR 62 CO 0.42 -0.70 0.20 -1.61 -0.54 0.00 0.00 174.62 172.40 2o3o s GLU 63 N -3.22 3.63 0.00 3.99 0.41 -1.26 -0.17 118.70 122.08 2o3o s GLU 63 Ca 0.08 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 2o3o s GLU 63 Cb 0.00 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2o3o s GLU 63 CO -0.02 0.71 0.00 0.41 -0.49 0.00 0.00 175.26 175.87 2o3o n GLY 64 N 2.10 4.24 3.50 -1.39 0.00 0.14 -4.90 105.19 108.89 2o3o n GLY 64 Ca -0.18 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 2o3o n GLY 64 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2o3o s TYR 65 N -2.22 -0.61 0.43 1.61 -0.85 -1.26 0.16 117.35 114.62 2o3o s TYR 65 Ca 0.00 0.90 -0.22 0.00 -0.52 0.00 0.00 57.07 57.23 2o3o s TYR 65 Cb 0.00 0.45 -0.10 0.00 0.38 0.00 0.00 41.96 42.69 2o3o s TYR 65 CO 0.00 -0.64 0.99 1.03 -1.52 0.00 0.00 175.55 175.41 2o3o s ARG 66 N -1.81 4.12 0.05 -3.49 0.52 -1.10 -4.40 118.95 112.84 2o3o s ARG 66 Ca -0.07 1.28 0.01 0.00 -0.52 0.00 0.00 55.73 56.43 2o3o s ARG 66 Cb -0.00 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 2o3o s ARG 66 CO 0.04 -0.15 -0.05 0.96 0.02 0.00 0.00 175.30 176.12 2o3o s ILE 67 N -1.97 0.37 0.29 1.52 -4.36 -0.58 -1.44 121.20 115.03 2o3o s ILE 67 Ca 0.62 -1.29 0.09 0.00 -0.26 0.00 0.00 60.65 59.81 2o3o s ILE 67 Cb -0.14 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.70 2o3o s ILE 67 CO 0.19 -0.60 0.09 0.42 0.24 0.00 0.00 174.94 175.27 2o3o s THR 68 N -2.19 3.47 0.09 8.37 -4.23 -0.53 0.43 115.64 121.04 2o3o s THR 68 Ca -0.06 -1.73 -0.26 0.00 -1.18 0.00 0.00 61.69 58.47 2o3o s THR 68 Cb -0.05 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.87 2o3o s THR 68 CO -0.03 -0.30 0.64 0.00 -0.54 0.00 0.00 174.62 174.40 2o3o s ALA 69 N -2.33 -1.66 0.30 3.99 0.00 -0.82 -1.80 121.76 119.44 2o3o s ALA 69 Ca 0.34 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 2o3o s ALA 69 Cb -0.05 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 2o3o s ALA 69 CO 0.22 -0.65 0.60 -0.80 0.00 0.00 0.00 175.76 175.13 2o3o s ASN 70 N -2.29 6.51 -0.16 0.00 0.01 -0.41 -2.19 114.94 116.41 2o3o s ASN 70 Ca -0.02 0.86 -0.26 0.00 -0.71 0.00 0.00 52.86 52.73 2o3o s ASN 70 Cb -0.01 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 2o3o s ASN 70 CO -0.06 -0.20 0.86 -1.58 -1.51 0.00 0.00 177.10 174.60 2o3o s GLN 71 N -3.40 4.32 0.03 -0.60 2.00 -1.26 -1.68 119.66 119.07 2o3o s GLN 71 Ca 0.46 1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 54.59 2o3o s GLN 71 Cb -0.11 -3.57 -0.06 0.00 0.80 0.00 0.00 33.01 30.07 2o3o s GLN 71 CO 0.28 -0.32 1.49 0.21 -0.50 0.00 0.00 175.29 176.45 2o3o s LYS 72 N 2.11 4.25 -0.17 1.67 2.20 -0.14 -4.94 119.74 124.72 2o3o s LYS 72 Ca 0.40 2.10 -0.20 0.00 -0.36 0.00 0.00 55.97 57.91 2o3o s LYS 72 Cb -0.17 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2o3o s LYS 72 CO 0.13 -0.63 0.57 0.45 -0.36 0.00 0.00 175.35 175.50 2o3o s SER 73 N 2.06 6.67 -0.26 1.43 0.15 -1.26 -4.45 113.70 118.03 2o3o s SER 73 Ca 0.67 0.80 -0.22 0.00 0.70 0.00 0.00 55.95 57.91 2o3o s SER 73 Cb -0.34 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 2o3o s SER 73 CO 0.28 -0.17 0.71 -0.36 1.20 0.00 0.00 173.24 174.90 2o3o s PHE 74 N 1.47 3.27 0.42 3.44 0.40 0.53 -5.01 117.98 122.51 2o3o s PHE 74 Ca 0.27 0.89 -0.10 0.00 -0.60 0.00 0.00 56.93 57.39 2o3o s PHE 74 Cb -0.16 -2.96 -0.06 0.00 0.51 0.00 0.00 43.02 40.35 2o3o s PHE 74 CO 0.11 -0.39 0.78 -1.54 0.70 0.00 0.00 175.22 174.88 2o3o s SER 75 N 1.47 6.49 0.22 1.36 1.04 -1.26 -4.56 113.70 118.45 2o3o s SER 75 Ca 0.29 1.13 -0.08 0.00 0.48 0.00 0.00 55.95 57.77 2o3o s SER 75 Cb -0.15 -2.32 0.29 0.00 0.10 0.00 0.00 66.02 63.94 2o3o s SER 75 CO 0.09 -0.43 1.78 0.50 0.98 0.00 0.00 173.24 176.15 2o3o h LYS 76 N 1.11 0.54 -0.22 4.02 3.64 -1.96 -1.45 116.57 122.26 2o3o h LYS 76 Ca -0.47 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2o3o h LYS 76 Cb 1.19 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.82 2o3o h LYS 76 CO 0.63 0.36 -0.55 0.93 -2.27 0.00 0.00 179.45 178.56 2o3o h GLU 77 N 0.56 -0.51 -0.80 1.90 5.08 -1.99 -2.25 114.58 116.58 2o3o h GLU 77 Ca 0.32 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.83 2o3o h GLU 77 Cb 0.32 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 2o3o h GLU 77 CO -0.25 -0.34 0.42 0.93 -1.00 0.00 0.00 179.01 178.77 2o3o h GLU 78 N -0.53 0.65 -0.29 2.33 5.08 -1.68 -0.04 114.58 120.11 2o3o h GLU 78 Ca 0.04 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2o3o h GLU 78 Cb 0.65 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2o3o h GLU 78 CO -0.48 0.43 -0.43 0.82 -1.00 0.00 0.00 179.01 178.35 2o3o h ILE 79 N 0.67 1.29 -0.00 3.13 2.04 -0.82 -2.71 117.51 121.10 2o3o h ILE 79 Ca 0.40 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2o3o h ILE 79 Cb 0.47 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2o3o h ILE 79 CO -0.30 0.52 -0.25 -1.84 0.00 0.00 0.00 178.15 176.28 2o3o n GLU 80 N -4.12 0.26 0.28 2.37 0.28 -0.93 -3.36 120.64 115.41 2o3o n GLU 80 Ca -0.04 -0.11 0.16 0.00 -0.16 0.00 0.00 57.16 57.01 2o3o n GLU 80 Cb 0.56 -1.50 0.80 0.00 1.43 0.00 0.00 31.44 32.73 2o3o n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2o3o h ALA 81 N 3.22 1.14 -2.06 -1.84 0.00 -0.66 -3.44 119.26 115.62 2o3o h ALA 81 Ca 0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 2o3o h ALA 81 Cb 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2o3o h ALA 81 CO 0.00 0.09 0.91 -0.51 0.00 0.00 0.00 179.25 179.74 2o3o s LEU 82 N -6.75 4.05 0.23 0.00 1.43 -1.21 -4.99 118.68 111.43 2o3o s LEU 82 Ca -0.02 1.43 -0.30 0.00 -1.03 0.00 0.00 54.13 54.22 2o3o s LEU 82 Cb 0.12 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 2o3o s LEU 82 CO 0.54 -0.87 1.12 -0.75 0.23 0.00 0.00 176.35 176.62 2o3o s LYS 83 N 3.71 4.60 -1.55 1.70 2.47 -1.26 -3.37 119.74 126.04 2o3o s LYS 83 Ca 0.53 1.79 -0.10 0.00 -1.56 0.00 0.00 55.97 56.62 2o3o s LYS 83 Cb -0.18 -3.23 0.08 0.00 -1.46 0.00 0.00 37.83 33.04 2o3o s LYS 83 CO 0.17 0.11 0.70 -0.25 0.16 0.00 0.00 175.35 176.24 2o3o n ASP 84 N 1.84 -2.50 -3.84 1.43 8.00 -1.26 -4.97 116.55 115.25 2o3o n ASP 84 Ca 0.01 -0.95 -0.12 0.00 0.71 0.00 0.00 54.79 54.44 2o3o n ASP 84 Cb 0.45 -3.17 -0.14 0.00 -0.02 0.00 0.00 41.12 38.25 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 -6.69 0.04 0.03 -1.24 -0.21 -1.22 -1.79 119.66 108.59 2o3o s GLN 85 Ca 0.44 0.08 0.07 0.00 0.02 0.00 0.00 55.36 55.97 2o3o s GLN 85 Cb -0.23 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.74 2o3o s GLN 85 CO 0.89 -0.03 -0.19 0.15 -2.12 0.00 0.00 175.29 173.98 2o3o s LYS 86 N 0.18 1.35 0.36 2.91 -0.14 0.69 -4.89 119.74 120.21 2o3o s LYS 86 Ca -0.01 -0.87 -0.26 0.00 -1.36 0.00 0.00 55.97 53.47 2o3o s LYS 86 Cb -0.02 -1.42 -0.09 0.00 -1.68 0.00 0.00 37.83 34.62 2o3o s LYS 86 CO -0.01 0.37 1.07 -1.25 -0.76 0.00 0.00 175.35 174.77 2o3o s PRO 87 N -1.05 4.30 -0.55 -1.68 0.04 -1.26 0.16 135.00 134.96 2o3o s PRO 87 Ca 0.07 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.75 2o3o s PRO 87 Cb -0.08 -2.74 0.42 0.00 0.04 0.00 0.00 34.50 32.14 2o3o s PRO 87 CO 0.01 -0.05 1.58 1.28 0.04 0.00 0.00 177.00 179.86 2o3o n LEU 88 N 0.31 6.18 0.00 -3.56 4.77 0.13 -4.86 117.00 119.98 2o3o n LEU 88 Ca 0.03 -4.76 0.00 0.00 -0.03 0.00 0.00 56.01 51.25 2o3o n LEU 88 Cb 0.48 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2o3o n LEU 88 CO 0.48 1.90 0.00 0.47 -1.33 0.00 0.00 177.39 178.91 2o3o n ASP 90 N -0.68 0.00 -4.96 -1.43 9.92 -1.26 -4.98 116.55 113.16 2o3o n ASP 90 Ca 0.50 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.54 2o3o n ASP 90 Cb 0.66 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.12 2o3o n ASP 90 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2o3o s PRO 92 N 2.73 3.39 0.00 -0.24 0.04 -1.26 -4.94 135.00 134.71 2o3o s PRO 92 Ca 0.00 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.39 2o3o s PRO 92 Cb 0.00 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2o3o s PRO 92 CO 0.00 0.25 0.00 -1.13 0.04 0.00 0.00 177.00 176.16 2o3o n SER 93 N -1.59 0.00 -0.02 6.66 3.41 -0.14 -4.98 113.62 116.95 2o3o n SER 93 Ca -0.06 -0.88 -0.11 0.00 -0.26 0.00 0.00 58.87 57.56 2o3o n SER 93 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 2o3o n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2o3o h ASP 94 N 0.00 0.16 0.10 4.04 3.32 -2.07 -3.33 116.42 118.65 2o3o h ASP 94 Ca 0.00 -0.13 -0.34 0.00 0.02 0.00 0.00 57.03 56.59 2o3o h ASP 94 Cb 0.00 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2o3o h ASP 94 CO 0.00 0.24 -1.83 0.44 -1.72 0.00 0.00 179.24 176.36 2o3o h ASP 95 N 0.06 0.34 -3.44 6.45 5.19 -2.08 -3.45 116.42 119.48 2o3o h ASP 95 Ca 0.04 -0.86 -0.64 0.00 -0.62 0.00 0.00 57.03 54.95 2o3o h ASP 95 Cb 0.13 -0.11 -0.14 0.00 0.18 0.00 0.00 39.33 39.38 2o3o h ASP 95 CO -0.00 1.78 0.28 -2.28 -3.12 0.00 0.00 179.24 175.90 2o3o s HIS 96 N -2.52 2.98 0.54 4.55 2.46 -1.25 -5.04 115.29 117.01 2o3o s HIS 96 Ca -0.23 -0.08 -0.11 0.00 0.47 0.00 0.00 55.06 55.10 2o3o s HIS 96 Cb 0.06 -3.65 -0.05 0.00 -0.13 0.00 0.00 32.58 28.81 2o3o s HIS 96 CO 0.74 -1.05 0.94 0.15 -2.47 0.00 0.00 174.74 173.05 2o3o s LYS 97 N 3.18 3.69 -0.27 2.88 3.01 -1.26 -0.97 119.74 130.00 2o3o s LYS 97 Ca 0.25 0.66 0.02 0.00 -1.01 0.00 0.00 55.97 55.89 2o3o s LYS 97 Cb -0.14 -2.19 0.07 0.00 -1.01 0.00 0.00 37.83 34.56 2o3o s LYS 97 CO 0.19 -0.36 -0.03 0.08 0.51 0.00 0.00 175.35 175.73 2o3o s VAL 98 N -2.86 1.83 -1.00 3.17 1.01 -1.26 -4.95 120.40 116.33 2o3o s VAL 98 Ca 0.54 -1.62 0.14 0.00 0.00 0.00 0.00 61.98 61.05 2o3o s VAL 98 Cb -0.11 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 2o3o s VAL 98 CO 0.44 -0.25 0.70 0.35 0.00 0.00 0.00 175.10 176.34 2o3o n THR 99 N 4.52 0.00 -3.65 3.92 -2.24 -1.26 -0.35 114.28 115.23 2o3o n THR 99 Ca -0.08 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 2o3o n THR 99 Cb 0.43 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 2o3o n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2o3o s SER 100 N -2.05 3.47 0.61 3.42 0.15 -1.26 -4.53 113.70 113.51 2o3o s SER 100 Ca 0.09 -1.25 -0.13 0.00 0.70 0.00 0.00 55.95 55.35 2o3o s SER 100 Cb 0.11 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 2o3o s SER 100 CO 0.47 -0.40 1.03 -0.76 1.20 0.00 0.00 173.24 174.79 2o3o s LEU 101 N 1.90 3.37 -0.20 3.45 1.43 0.19 -4.89 118.68 123.93 2o3o s LEU 101 Ca 0.07 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 2o3o s LEU 101 Cb -0.17 -4.50 0.07 0.00 0.03 0.00 0.00 46.19 41.62 2o3o s LEU 101 CO -0.25 -1.02 0.48 -0.75 0.23 0.00 0.00 176.35 175.04 2o3o s LYS 102 N -4.60 0.47 -0.28 1.70 2.20 -1.26 -2.22 119.74 115.75 2o3o s LYS 102 Ca 0.59 0.93 -0.20 0.00 -0.36 0.00 0.00 55.97 56.93 2o3o s LYS 102 Cb -0.13 0.07 0.08 0.00 -1.51 0.00 0.00 37.83 36.35 2o3o s LYS 102 CO 0.44 -0.17 0.74 0.21 -0.36 0.00 0.00 175.35 176.22 2o3o s LYS 104 N 1.61 0.72 0.07 4.03 2.20 0.12 0.22 119.74 128.72 2o3o s LYS 104 Ca -0.09 1.06 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 2o3o s LYS 104 Cb -0.08 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 2o3o s LYS 104 CO -0.15 -0.12 0.95 -0.06 -0.36 0.00 0.00 175.35 175.61 2o3o s PHE 105 N 1.04 3.76 0.22 4.03 0.40 -0.83 -0.22 117.98 126.37 2o3o s PHE 105 Ca -0.05 1.74 -0.11 0.00 -0.60 0.00 0.00 56.93 57.91 2o3o s PHE 105 Cb -0.05 -3.05 0.31 0.00 0.51 0.00 0.00 43.02 40.74 2o3o s PHE 105 CO -0.11 0.15 1.64 0.00 0.70 0.00 0.00 175.22 177.60 2o3o h ALA 106 N 5.94 0.57 -3.23 5.36 0.00 -1.69 -3.36 119.26 122.85 2o3o h ALA 106 Ca -0.42 0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 2o3o h ALA 106 Cb 1.21 0.43 -0.35 0.00 0.00 0.00 0.00 17.79 19.08 2o3o h ALA 106 CO 0.73 -0.42 -0.83 -0.80 0.00 0.00 0.00 179.25 177.93 2o3o s ASN 107 N -5.22 2.48 0.42 0.00 0.01 -1.26 -5.12 114.94 106.26 2o3o s ASN 107 Ca -0.14 -0.44 -0.26 0.00 -0.71 0.00 0.00 52.86 51.32 2o3o s ASN 107 Cb 0.20 -1.10 -0.09 0.00 0.41 0.00 0.00 41.25 40.67 2o3o s ASN 107 CO 0.74 -0.01 1.35 -0.81 -1.51 0.00 0.00 177.10 176.87 2o3o n PRO 108 N 4.38 2.13 -3.29 -0.60 -0.04 -1.26 -4.91 135.00 131.41 2o3o n PRO 108 Ca -0.18 0.76 -0.40 0.00 -0.04 0.00 0.00 63.50 63.64 2o3o n PRO 108 Cb 0.51 -2.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.39 2o3o n PRO 108 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2o3o s ILE 109 N -1.18 5.11 -0.12 0.52 1.01 -0.24 -4.77 121.20 121.53 2o3o s ILE 109 Ca 0.60 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.74 2o3o s ILE 109 Cb -0.49 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2o3o s ILE 109 CO 0.59 0.12 1.85 0.00 0.00 0.00 0.00 174.94 177.49 2o3o s ALA 110 N 2.19 3.31 0.09 9.38 0.00 -1.26 -1.34 121.76 134.13 2o3o s ALA 110 Ca 0.19 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 2o3o s ALA 110 Cb -0.16 -3.88 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 2o3o s ALA 110 CO 0.09 -1.92 0.32 -0.51 0.00 0.00 0.00 175.76 173.74 2o3o s LEU 111 N 5.43 4.31 0.86 0.00 1.43 -0.79 -4.98 118.68 124.94 2o3o s LEU 111 Ca 0.83 0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 2o3o s LEU 111 Cb -0.33 -3.09 0.11 0.00 0.03 0.00 0.00 46.19 42.91 2o3o s LEU 111 CO 0.34 0.12 1.13 -0.55 0.23 0.00 0.00 176.35 177.63 2o3o s SER 112 N -2.26 3.96 -0.06 2.29 0.15 -1.26 -4.83 113.70 111.69 2o3o s SER 112 Ca 0.37 1.02 -0.04 0.00 0.70 0.00 0.00 55.95 58.00 2o3o s SER 112 Cb -0.13 -1.62 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 2o3o s SER 112 CO 0.23 -2.27 -0.07 0.11 1.20 0.00 0.00 173.24 172.44 2o3o h LYS 113 N -1.30 0.00 0.00 5.44 1.57 -1.96 -3.34 116.57 116.97 2o3o h LYS 113 Ca -0.49 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.15 2o3o h LYS 113 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2o3o h LYS 113 CO 0.62 0.00 -0.85 0.87 -0.57 0.00 0.00 179.45 179.53 2o3o h LYS 114 N -0.41 0.00 -1.02 3.15 1.57 -2.05 -3.32 116.57 114.49 2o3o h LYS 114 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2o3o h LYS 114 Cb 0.20 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.22 2o3o h LYS 114 CO 0.00 0.49 0.73 -3.47 -0.57 0.00 0.00 179.45 176.63 2o3o n ASP 115 N -3.14 5.48 -0.09 0.86 2.03 -1.26 -4.80 116.55 115.63 2o3o n ASP 115 Ca -0.02 -3.62 -0.12 0.00 0.52 0.00 0.00 54.79 51.54 2o3o n ASP 115 Cb 0.79 -0.90 -0.04 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 0.98 1.30 -0.92 5.18 2.10 -1.68 -2.70 117.51 121.76 2o3o h ILE 116 Ca 0.60 -1.27 0.05 0.00 1.08 0.00 0.00 64.86 65.32 2o3o h ILE 116 Cb 1.90 1.53 -0.06 0.00 -1.09 0.00 0.00 36.82 39.11 2o3o h ILE 116 CO 1.27 0.40 0.59 -0.33 -1.08 0.00 0.00 178.15 179.00 2o3o h GLU 117 N 0.32 1.07 -0.29 2.19 5.08 -1.90 -0.35 114.58 120.70 2o3o h GLU 117 Ca 0.06 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2o3o h GLU 117 Cb 0.68 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2o3o h GLU 117 CO 0.05 0.71 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.17 2o3o h ASP 118 N 1.10 0.63 -0.39 1.42 3.32 -1.93 -1.99 116.42 118.58 2o3o h ASP 118 Ca 0.38 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2o3o h ASP 118 Cb 0.09 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2o3o h ASP 118 CO -0.15 0.90 0.22 0.44 -1.72 0.00 0.00 179.24 178.94 2o3o h ASP 119 N 0.35 0.36 -0.36 6.45 5.19 -1.11 -0.75 116.42 126.55 2o3o h ASP 119 Ca 0.06 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.56 2o3o h ASP 119 Cb 0.67 -0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.03 2o3o h ASP 119 CO 0.04 0.26 -0.22 0.00 -3.12 0.00 0.00 179.24 176.20 2o3o h ALA 120 N 1.18 0.02 -0.93 3.45 0.00 -1.01 -1.39 119.26 120.58 2o3o h ALA 120 Ca 0.16 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2o3o h ALA 120 Cb 0.02 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2o3o h ALA 120 CO -0.08 -0.60 0.60 1.96 0.00 0.00 0.00 179.25 181.13 2o3o h GLN 121 N -0.16 1.09 -0.72 0.00 4.20 -0.62 -0.83 115.11 118.06 2o3o h GLN 121 Ca 0.18 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 2o3o h GLN 121 Cb 0.44 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2o3o h GLN 121 CO -0.46 0.72 0.29 0.00 -0.67 0.00 0.00 178.83 178.71 2o3o h ALA 122 N 1.41 0.94 0.38 3.87 0.00 -0.63 -0.03 119.26 125.19 2o3o h ALA 122 Ca 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2o3o h ALA 122 Cb 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2o3o h ALA 122 CO -0.15 0.56 -0.18 1.25 0.00 0.00 0.00 179.25 180.73 2o3o h LEU 123 N 1.04 -0.43 -0.52 0.00 5.85 -0.52 -1.40 115.31 119.34 2o3o h LEU 123 Ca 0.24 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2o3o h LEU 123 Cb 0.20 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2o3o h LEU 123 CO -0.02 -0.26 0.32 0.58 -0.34 0.00 0.00 178.44 178.72 2o3o h VAL 124 N -0.57 1.15 0.00 1.05 2.07 -1.08 -1.07 116.25 117.80 2o3o h VAL 124 Ca -0.05 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2o3o h VAL 124 Cb 0.43 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2o3o h VAL 124 CO 0.09 0.16 0.00 -1.20 0.02 0.00 0.00 177.57 176.63 2o3o n SER 125 N -4.69 0.08 -0.00 0.57 7.64 -0.04 -2.46 113.62 114.72 2o3o n SER 125 Ca 0.03 0.51 0.01 0.00 1.01 0.00 0.00 58.87 60.43 2o3o n SER 125 Cb 0.05 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 2o3o n SER 125 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2o3o n SER 126 N -1.58 0.83 0.00 6.43 3.41 -0.53 -4.67 113.62 117.51 2o3o n SER 126 Ca 0.05 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 2o3o n SER 126 Cb 0.24 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 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 -1.13 4.42 -4.90 4.33 5.02 -0.44 -5.05 118.16 120.41 2o3o n LYS 127 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 2o3o n LYS 127 Cb 0.03 -0.40 -0.15 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.76 2.85 -0.02 -0.18 1.01 -1.03 -4.96 121.20 118.11 2o3o s ILE 128 Ca 0.00 -0.75 -0.40 0.00 0.00 0.00 0.00 60.65 59.50 2o3o s ILE 128 Cb 0.00 -2.15 -0.20 0.00 0.01 0.00 0.00 42.46 40.12 2o3o s ILE 128 CO 0.00 0.55 1.12 1.67 0.00 0.00 0.00 174.94 178.28 2o3o n GLN 129 N 3.18 0.10 -1.83 2.79 7.27 -1.26 -1.39 117.38 126.24 2o3o n GLN 129 Ca -0.18 0.04 -0.15 0.00 0.07 0.00 0.00 57.00 56.77 2o3o n GLN 129 Cb 0.53 -1.55 -0.04 0.00 2.41 0.00 0.00 30.24 31.58 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 1.73 -4.30 -0.22 1.69 10.43 -1.26 -4.86 116.55 119.76 2o3o n ASP 130 Ca 0.20 0.28 0.15 0.00 2.57 0.00 0.00 54.79 57.99 2o3o n ASP 130 Cb 0.08 -3.80 0.46 0.00 1.84 0.00 0.00 41.12 39.70 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 0.92 2.00 0.44 0.00 -1.40 -0.93 103.07 104.10 2o3o h GLY 131 Ca -0.34 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2o3o h GLY 131 CO 0.45 0.06 0.00 1.05 0.00 0.00 0.00 176.54 178.10 2o3o h GLU 132 N 0.51 0.00 0.00 4.80 9.09 -1.83 -2.00 114.58 125.15 2o3o h GLU 132 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 2o3o h GLU 132 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 2o3o h GLU 132 CO -0.16 0.00 -0.13 1.63 0.05 0.00 0.00 179.01 180.40 2o3o n LYS 133 N -2.58 0.20 -4.08 1.06 5.02 -0.35 -4.82 118.16 112.61 2o3o n LYS 133 Ca -0.00 0.14 -0.36 0.00 -2.02 0.00 0.00 58.31 56.07 2o3o n LYS 133 Cb 0.14 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.37 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 -3.09 3.39 -0.10 2.13 1.51 -0.75 -0.54 117.35 119.91 2o3o s TYR 134 Ca 0.11 0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 56.51 2o3o s TYR 134 Cb 0.14 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 2o3o s TYR 134 CO 0.61 0.56 -0.07 0.21 -1.11 0.00 0.00 175.55 175.75 2o3o s LYS 135 N -0.79 3.04 0.27 -0.62 2.20 -0.19 -4.93 119.74 118.72 2o3o s LYS 135 Ca 0.13 -0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 54.87 2o3o s LYS 135 Cb -0.12 -2.66 -0.12 0.00 -1.51 0.00 0.00 37.83 33.42 2o3o s LYS 135 CO 0.03 0.50 1.53 -0.11 -0.36 0.00 0.00 175.35 176.94 2o3o n LEU 136 N 2.70 3.87 -0.09 5.43 7.94 -1.26 -1.64 117.00 133.95 2o3o n LEU 136 Ca -0.18 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 55.70 2o3o n LEU 136 Cb 0.53 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 2o3o n LEU 136 CO 0.29 -0.09 -1.11 1.87 -1.11 0.00 0.00 177.39 177.23 2o3o n TRP 137 N 2.09 0.00 -3.64 1.96 -0.00 0.17 -4.84 117.44 113.18 2o3o n TRP 137 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.55 2o3o n TRP 137 Cb 0.35 -0.67 -0.07 0.00 -0.00 0.00 0.00 31.31 30.92 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 -2.34 0.49 -0.22 5.87 2.20 -1.05 -5.01 119.74 119.68 2o3o s LYS 138 Ca -0.25 0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 55.99 2o3o s LYS 138 Cb 0.08 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2o3o s LYS 138 CO 0.36 -0.09 0.37 0.08 -0.36 0.00 0.00 175.35 175.71 2o3o s VAL 139 N 1.17 5.21 -0.33 4.02 1.01 -1.26 -0.95 120.40 129.26 2o3o s VAL 139 Ca -0.07 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2o3o s VAL 139 Cb -0.04 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.73 2o3o s VAL 139 CO -0.14 0.24 0.04 -0.62 0.00 0.00 0.00 175.10 174.62 2o3o s ASP 140 N 1.17 4.76 0.20 3.32 -1.08 0.14 -4.98 116.67 120.19 2o3o s ASP 140 Ca 0.17 -2.04 -0.01 0.00 -0.52 0.00 0.00 52.55 50.16 2o3o s ASP 140 Cb -0.15 -1.63 0.12 0.00 -1.46 0.00 0.00 42.92 39.80 2o3o s ASP 140 CO 0.08 -0.36 1.49 0.11 0.52 0.00 0.00 175.17 177.00 2o3o h LYS 141 N 7.66 0.41 -0.54 4.34 1.57 -1.97 -1.57 116.57 126.48 2o3o h LYS 141 Ca -0.07 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.35 2o3o h LYS 141 Cb 1.02 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2o3o h LYS 141 CO 0.52 0.92 0.09 0.66 -0.57 0.00 0.00 179.45 181.07 2o3o h SER 142 N 0.30 0.85 0.37 0.86 4.64 -1.95 -2.48 113.55 116.14 2o3o h SER 142 Ca -0.01 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2o3o h SER 142 Cb 1.19 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2o3o h SER 142 CO 0.11 0.90 -0.03 0.29 -0.87 0.00 0.00 176.83 177.23 2o3o n LYS 143 N -4.37 0.66 -3.75 4.77 5.02 -1.16 -4.95 118.16 114.39 2o3o n LYS 143 Ca 0.02 -0.09 -0.33 0.00 -2.02 0.00 0.00 58.31 55.89 2o3o n LYS 143 Cb 0.26 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 2o3o n LYS 143 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o3o n LYS 144 N -1.09 -1.03 -3.46 1.97 5.02 -0.67 -4.89 118.16 114.00 2o3o n LYS 144 Ca 0.17 0.44 -0.13 0.00 -2.02 0.00 0.00 58.31 56.76 2o3o n LYS 144 Cb 0.22 -3.72 -0.03 0.00 -0.02 0.00 0.00 35.03 31.48 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 -6.10 1.22 -0.06 1.97 -1.05 -0.72 -1.75 118.70 112.21 2o3o s GLU 145 Ca 0.43 -0.35 0.06 0.00 -0.15 0.00 0.00 54.97 54.96 2o3o s GLU 145 Cb -0.17 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 2o3o s GLU 145 CO 0.88 -0.50 -0.24 0.42 0.95 0.00 0.00 175.26 176.77 2o3o s ILE 146 N -3.25 1.98 -0.06 1.83 1.01 -0.39 -0.69 121.20 121.64 2o3o s ILE 146 Ca -0.01 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.66 2o3o s ILE 146 Cb -0.01 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2o3o s ILE 146 CO -0.08 0.55 -0.22 -0.63 0.00 0.00 0.00 174.94 174.55 2o3o s ILE 147 N -0.14 2.32 -0.04 2.92 1.01 -0.12 -0.38 121.20 126.76 2o3o s ILE 147 Ca -0.04 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.69 2o3o s ILE 147 Cb -0.13 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2o3o s ILE 147 CO 0.04 0.57 -0.20 -0.36 0.00 0.00 0.00 174.94 174.99 2o3o s PHE 148 N -0.24 1.94 -0.17 3.97 0.40 0.12 0.43 117.98 124.43 2o3o s PHE 148 Ca -0.01 -0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 55.70 2o3o s PHE 148 Cb -0.13 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 2o3o s PHE 148 CO 0.03 -0.17 0.08 -0.06 0.70 0.00 0.00 175.22 175.80 2o3o s PHE 149 N -0.07 3.31 0.65 0.36 0.08 -0.65 -2.10 117.98 119.55 2o3o s PHE 149 Ca -0.03 0.18 -0.18 0.00 0.12 0.00 0.00 56.93 57.02 2o3o s PHE 149 Cb -0.12 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2o3o s PHE 149 CO 0.02 0.27 1.16 0.94 -0.10 0.00 0.00 175.22 177.52 2o3o n GLN 150 N 3.21 0.95 -4.49 0.44 7.27 -0.27 -1.02 117.38 123.47 2o3o n GLN 150 Ca -0.17 0.38 -0.26 0.00 0.07 0.00 0.00 57.00 57.02 2o3o n GLN 150 Cb 0.53 -2.40 -0.10 0.00 2.41 0.00 0.00 30.24 30.68 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 -1.49 2.33 -0.05 1.69 -4.23 0.30 -1.73 115.64 112.47 2o3o s THR 151 Ca 0.80 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2o3o s THR 151 Cb -0.38 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 70.78 2o3o s THR 151 CO 0.43 -0.19 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.82 2o3o s TYR 152 N -2.59 0.64 -1.31 3.99 5.04 0.84 -4.86 117.35 119.11 2o3o s TYR 152 Ca 0.33 -0.16 -0.11 0.00 -2.44 0.00 0.00 57.07 54.69 2o3o s TYR 152 Cb 0.02 -0.63 0.09 0.00 0.35 0.00 0.00 41.96 41.79 2o3o s TYR 152 CO 0.17 -0.20 0.51 0.39 -1.34 0.00 0.00 175.55 175.09 2o3o n GLU 153 N 4.24 -3.13 0.00 4.97 1.02 -1.26 -0.35 120.64 126.13 2o3o n GLU 153 Ca -0.22 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2o3o n GLU 153 Cb 0.51 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 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 -1.15 3.37 3.90 0.62 0.00 -1.26 -5.05 105.19 105.61 2o3o n GLY 154 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2o3o n GLY 154 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o3o s HIS 155 N -2.76 3.49 0.46 1.61 3.76 0.53 -5.03 115.29 117.35 2o3o s HIS 155 Ca 0.00 0.27 -0.24 0.00 -0.15 0.00 0.00 55.06 54.94 2o3o s HIS 155 Cb 0.00 -1.77 -0.07 0.00 1.11 0.00 0.00 32.58 31.85 2o3o s HIS 155 CO 0.00 0.60 1.30 0.71 -0.85 0.00 0.00 174.74 176.50 2o3o s TYR 156 N -1.43 2.66 -0.64 1.40 1.51 -1.26 -0.11 117.35 119.48 2o3o s TYR 156 Ca 0.32 1.41 -0.18 0.00 -1.01 0.00 0.00 57.07 57.61 2o3o s TYR 156 Cb -0.13 -3.67 0.12 0.00 -0.11 0.00 0.00 41.96 38.18 2o3o s TYR 156 CO 0.24 -2.25 0.73 0.42 -1.11 0.00 0.00 175.55 173.58 2o3o s ILE 157 N -1.33 4.93 0.13 2.71 1.01 -0.70 -1.64 121.20 126.31 2o3o s ILE 157 Ca 0.62 -1.25 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 2o3o s ILE 157 Cb -0.37 -4.50 -0.08 0.00 0.01 0.00 0.00 42.46 37.51 2o3o s ILE 157 CO 0.46 -1.13 1.40 -0.31 0.00 0.00 0.00 174.94 175.36 2o3o s TYR 158 N 2.32 3.23 0.16 3.97 1.51 0.12 -4.67 117.35 123.99 2o3o s TYR 158 Ca 0.13 0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 57.12 2o3o s TYR 158 Cb -0.21 -3.70 -0.04 0.00 -0.11 0.00 0.00 41.96 37.90 2o3o s TYR 158 CO 0.03 -2.44 0.12 -0.65 -1.11 0.00 0.00 175.55 171.49 2o3o s GLN 159 N 0.98 1.07 0.31 -0.62 -0.21 -1.26 -4.49 119.66 115.45 2o3o s GLN 159 Ca 0.64 -1.49 -0.17 0.00 0.02 0.00 0.00 55.36 54.36 2o3o s GLN 159 Cb -0.38 0.27 -0.09 0.00 1.00 0.00 0.00 33.01 33.81 2o3o s GLN 159 CO 0.31 -0.34 0.76 0.15 -2.12 0.00 0.00 175.29 174.05 2o3o s LYS 160 N -4.09 4.09 -0.05 2.91 1.02 -1.26 -5.00 119.74 117.36 2o3o s LYS 160 Ca 0.30 0.77 0.15 0.00 0.02 0.00 0.00 55.97 57.20 2o3o s LYS 160 Cb 0.07 -2.51 0.46 0.00 -0.52 0.00 0.00 37.83 35.32 2o3o s LYS 160 CO 0.06 0.19 1.39 0.25 -0.92 0.00 0.00 175.35 176.32 2o3o n THR 161 N -0.14 1.34 0.00 2.17 -2.24 -1.26 -4.83 114.28 109.32 2o3o n THR 161 Ca 0.03 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2o3o n THR 161 Cb 0.53 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2o3o n THR 161 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2o3o n ASP 162 N 0.62 0.00 -4.40 3.42 9.92 -1.26 -4.99 116.55 119.87 2o3o n ASP 162 Ca 0.17 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.11 2o3o n ASP 162 Cb 0.61 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 41.23 2o3o n ASP 162 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2o3o n ASN 163 N 0.00 -1.98 0.21 -2.24 2.04 -1.26 -4.96 115.26 107.07 2o3o n ASN 163 Ca 0.00 0.18 0.06 0.00 -0.44 0.00 0.00 54.58 54.38 2o3o n ASN 163 Cb 0.00 -1.16 0.45 0.00 -2.53 0.00 0.00 39.78 36.54 2o3o n ASN 163 CO 0.00 0.00 0.00 -0.65 -0.44 0.00 0.00 177.26 176.17 2o3o h PRO 164 N -1.80 0.00 0.00 -0.53 0.11 -1.97 -3.32 132.00 124.50 2o3o h PRO 164 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2o3o h PRO 164 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2o3o h PRO 164 CO 0.37 0.31 0.00 0.77 -0.21 0.00 0.00 178.00 179.23 2o3o h SER 165 N 0.00 0.00 -3.93 -2.05 0.02 -1.99 -3.43 113.55 102.17 2o3o h SER 165 Ca -0.00 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.19 2o3o h SER 165 Cb 0.64 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.89 2o3o h SER 165 CO 0.04 0.00 -0.07 0.20 -1.14 0.00 0.00 176.83 175.86 2o3o s ASN 166 N -4.18 6.20 0.00 3.07 -0.87 -1.25 -5.17 114.94 112.75 2o3o s ASN 166 Ca -0.02 -2.74 0.00 0.00 -1.57 0.00 0.00 52.86 48.53 2o3o s ASN 166 Cb 0.07 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 2o3o s ASN 166 CO 0.24 -0.50 0.00 2.30 -2.57 0.00 0.00 177.10 176.57 2o3o n ILE 168 N 3.81 0.00 -3.03 0.60 -5.35 -1.26 -4.42 119.36 109.71 2o3o n ILE 168 Ca 0.11 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.46 2o3o n ILE 168 Cb 0.44 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.30 2o3o n ILE 168 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2o3o s GLY 169 N 0.00 -0.26 0.08 3.28 0.00 -1.26 -3.96 107.32 105.20 2o3o s GLY 169 Ca 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 44.72 43.45 2o3o s GLY 169 CO 0.00 3.03 0.09 1.20 0.00 0.00 0.00 173.10 177.42 2o3o s GLN 170 N 0.58 0.78 -0.08 2.90 -0.21 -1.02 -1.11 119.66 121.50 2o3o s GLN 170 Ca 0.31 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.56 2o3o s GLN 170 Cb 0.01 0.28 0.02 0.00 1.00 0.00 0.00 33.01 34.32 2o3o s GLN 170 CO -0.11 -0.21 -0.10 0.08 -2.12 0.00 0.00 175.29 172.83 2o3o s VAL 171 N -3.91 1.06 -0.17 1.09 1.01 -0.89 -0.90 120.40 117.68 2o3o s VAL 171 Ca 0.09 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2o3o s VAL 171 Cb 0.06 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.46 2o3o s VAL 171 CO -0.08 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.47 2o3o s VAL 172 N 0.94 2.06 -0.08 2.92 1.01 -0.42 -0.70 120.40 126.14 2o3o s VAL 172 Ca -0.10 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 2o3o s VAL 172 Cb -0.15 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2o3o s VAL 172 CO 0.00 0.54 0.35 -0.76 0.00 0.00 0.00 175.10 175.24 2o3o s LEU 173 N 1.12 4.37 -0.13 3.92 1.43 0.48 -1.17 118.68 128.70 2o3o s LEU 173 Ca 0.01 0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2o3o s LEU 173 Cb -0.14 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2o3o s LEU 173 CO -0.09 0.22 0.00 -1.00 0.23 0.00 0.00 176.35 175.71 2o3o s HIS 174 N -0.37 3.13 0.19 0.29 3.76 -0.45 -1.26 115.29 120.59 2o3o s HIS 174 Ca 0.21 -0.02 0.10 0.00 -0.15 0.00 0.00 55.06 55.20 2o3o s HIS 174 Cb -0.15 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 2o3o s HIS 174 CO 0.09 0.21 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.51 2o3o s LEU 175 N -0.13 2.68 -0.14 0.89 1.43 -0.72 -0.86 118.68 121.83 2o3o s LEU 175 Ca 0.04 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.24 2o3o s LEU 175 Cb -0.13 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.75 2o3o s LEU 175 CO 0.02 0.11 0.44 0.21 0.23 0.00 0.00 176.35 177.36 2o3o s ASN 176 N -2.76 -0.43 0.00 2.29 2.47 -0.89 -4.84 114.94 110.78 2o3o s ASN 176 Ca 0.23 0.77 0.00 0.00 0.42 0.00 0.00 52.86 54.28 2o3o s ASN 176 Cb -0.08 0.80 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 2o3o s ASN 176 CO 0.12 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 2o3o n GLY 177 N 2.50 0.69 3.34 1.21 0.00 -1.26 -3.80 105.19 107.88 2o3o n GLY 177 Ca -0.15 -1.21 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 2o3o n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o3o s LYS 178 N 0.00 3.14 -0.31 1.61 1.02 -1.26 -4.86 119.74 119.08 2o3o s LYS 178 Ca 0.00 -1.69 -0.01 0.00 0.02 0.00 0.00 55.97 54.29 2o3o s LYS 178 Cb 0.00 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 2o3o s LYS 178 CO 0.00 -1.42 0.22 0.09 -0.92 0.00 0.00 175.35 173.32 2o3o n ASN 179 N 5.50 -1.75 -4.10 2.83 3.02 -1.26 -4.79 115.26 114.71 2o3o n ASN 179 Ca -0.06 -0.37 -0.27 0.00 -0.03 0.00 0.00 54.58 53.85 2o3o n ASN 179 Cb 0.42 -0.59 -0.17 0.00 -0.61 0.00 0.00 39.78 38.84 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 -3.26 2.05 -0.41 3.52 2.02 -1.25 -1.88 118.70 119.49 2o3o s GLU 180 Ca 0.01 -0.57 -0.25 0.00 0.02 0.00 0.00 54.97 54.18 2o3o s GLU 180 Cb -0.01 -1.66 0.02 0.00 0.10 0.00 0.00 34.13 32.59 2o3o s GLU 180 CO 0.33 0.11 0.88 0.08 0.02 0.00 0.00 175.26 176.68 2o3o s VAL 181 N 0.45 4.58 -0.05 2.63 1.01 -0.45 -2.09 120.40 126.48 2o3o s VAL 181 Ca -0.13 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 2o3o s VAL 181 Cb -0.15 -4.34 -0.27 0.00 0.00 0.00 0.00 36.38 31.62 2o3o s VAL 181 CO 0.05 -0.64 0.63 0.58 0.00 0.00 0.00 175.10 175.72 2o3o h VAL 182 N 5.92 0.89 -2.87 2.92 2.07 -1.34 -0.62 116.25 123.22 2o3o h VAL 182 Ca -0.24 -2.58 0.06 0.00 0.82 0.00 0.00 66.70 64.75 2o3o h VAL 182 Cb 1.08 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.44 2o3o h VAL 182 CO 0.98 0.80 0.32 -0.94 0.02 0.00 0.00 177.57 178.74 2o3o s SER 183 N -6.89 -0.11 0.03 0.57 1.04 -1.23 -1.97 113.70 105.13 2o3o s SER 183 Ca -0.14 -0.81 -0.15 0.00 0.48 0.00 0.00 55.95 55.33 2o3o s SER 183 Cb 0.07 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.94 2o3o s SER 183 CO 0.82 -1.40 0.33 -0.72 0.98 0.00 0.00 173.24 173.25 2o3o s TYR 184 N -3.00 -0.16 0.11 5.02 -0.85 -1.26 -1.34 117.35 115.87 2o3o s TYR 184 Ca 0.14 0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.80 2o3o s TYR 184 Cb -0.05 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 2o3o s TYR 184 CO 0.08 -0.49 0.23 -0.51 -1.52 0.00 0.00 175.55 173.34 2o3o s ASP 185 N -1.86 6.23 -0.20 -0.18 1.01 -0.32 -4.08 116.67 117.27 2o3o s ASP 185 Ca -0.07 0.18 -0.20 0.00 0.71 0.00 0.00 52.55 53.17 2o3o s ASP 185 Cb -0.02 -1.87 0.06 0.00 1.01 0.00 0.00 42.92 42.10 2o3o s ASP 185 CO -0.01 0.11 0.57 -1.58 0.21 0.00 0.00 175.17 174.47 2o3o s GLN 186 N -2.84 0.69 0.04 8.23 0.74 -0.94 -1.30 119.66 124.28 2o3o s GLN 186 Ca 0.34 0.73 0.01 0.00 0.05 0.00 0.00 55.36 56.50 2o3o s GLN 186 Cb -0.12 0.33 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 2o3o s GLN 186 CO 0.27 -0.10 -0.06 0.95 -0.55 0.00 0.00 175.29 175.81 2o3o s THR 187 N 0.16 0.41 0.02 -0.34 -4.23 -0.08 -0.64 115.64 110.95 2o3o s THR 187 Ca -0.01 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 2o3o s THR 187 Cb -0.04 -0.59 -0.02 0.00 1.34 0.00 0.00 72.50 73.19 2o3o s THR 187 CO 0.01 -0.46 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.62 2o3o s THR 188 N -1.61 0.94 0.16 3.99 2.01 -1.26 -2.42 115.64 117.44 2o3o s THR 188 Ca -0.10 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 2o3o s THR 188 Cb -0.09 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 2o3o s THR 188 CO -0.01 0.04 0.35 -0.76 -0.69 0.00 0.00 174.62 173.56 2o3o s LEU 189 N -0.86 4.26 0.13 4.42 1.43 -1.25 -0.96 118.68 125.84 2o3o s LEU 189 Ca 0.01 0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 2o3o s LEU 189 Cb -0.07 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 2o3o s LEU 189 CO 0.01 0.03 0.23 -1.83 0.23 0.00 0.00 176.35 175.02 2o3o s GLU 190 N -2.94 1.00 -1.07 1.70 -1.05 -0.67 -4.86 118.70 110.79 2o3o s GLU 190 Ca 0.39 -1.07 -0.11 0.00 -0.15 0.00 0.00 54.97 54.02 2o3o s GLU 190 Cb -0.12 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 2o3o s GLU 190 CO 0.27 -0.34 0.87 2.41 0.95 0.00 0.00 175.26 179.42 2o3o n THR 191 N -0.14 -8.12 -2.26 1.83 -1.04 -1.26 -1.29 114.28 102.00 2o3o n THR 191 Ca -0.11 -1.21 -0.40 0.00 -2.04 0.00 0.00 64.05 60.29 2o3o n THR 191 Cb 0.63 -5.82 -0.03 0.00 -1.82 0.00 0.00 70.33 63.29 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 -3.40 3.19 -0.01 -1.42 0.40 -1.26 -4.29 117.98 111.18 2o3o s PHE 192 Ca 0.46 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 58.32 2o3o s PHE 192 Cb -0.10 -3.50 0.02 0.00 0.51 0.00 0.00 43.02 39.96 2o3o s PHE 192 CO 0.78 -1.37 0.02 0.15 0.70 0.00 0.00 175.22 175.51 2o3o s LYS 193 N -1.84 -0.02 -0.41 0.44 1.02 -0.74 -4.97 119.74 113.21 2o3o s LYS 193 Ca 0.50 0.13 -0.24 0.00 0.02 0.00 0.00 55.97 56.39 2o3o s LYS 193 Cb -0.35 -0.19 0.02 0.00 -0.52 0.00 0.00 37.83 36.79 2o3o s LYS 193 CO 0.46 -0.12 0.83 -0.65 -0.92 0.00 0.00 175.35 174.95 2o3o s GLN 194 N 0.78 3.60 0.04 1.68 -0.21 -1.26 -1.45 119.66 122.84 2o3o s GLN 194 Ca -0.07 0.17 0.15 0.00 0.02 0.00 0.00 55.36 55.64 2o3o s GLN 194 Cb -0.09 -3.88 -0.16 0.00 1.00 0.00 0.00 33.01 29.88 2o3o s GLN 194 CO -0.02 -1.03 0.81 -0.84 -2.12 0.00 0.00 175.29 172.09 2o3o h ILE 195 N 5.91 0.62 -1.56 1.08 3.07 -1.61 -3.47 117.51 121.54 2o3o h ILE 195 Ca -0.24 -2.21 0.11 0.00 1.55 0.00 0.00 64.86 64.07 2o3o h ILE 195 Cb 1.09 2.16 -0.25 0.00 -0.27 0.00 0.00 36.82 39.55 2o3o h ILE 195 CO 0.96 0.35 0.23 -1.58 -1.05 0.00 0.00 178.15 177.06 2o3o s GLN 196 N -2.84 0.44 0.21 0.16 0.74 -1.25 -5.04 119.66 112.08 2o3o s GLN 196 Ca -0.03 0.86 -0.17 0.00 0.05 0.00 0.00 55.36 56.08 2o3o s GLN 196 Cb 0.08 0.25 -0.08 0.00 1.10 0.00 0.00 33.01 34.37 2o3o s GLN 196 CO 0.81 -0.11 0.66 -1.59 -0.55 0.00 0.00 175.29 174.51 2o3o s LYS 197 N 1.80 4.11 0.07 1.67 -2.85 -1.26 -2.70 119.74 120.58 2o3o s LYS 197 Ca -0.08 0.69 -0.13 0.00 -1.00 0.00 0.00 55.97 55.46 2o3o s LYS 197 Cb -0.05 -2.84 0.02 0.00 -2.06 0.00 0.00 37.83 32.89 2o3o s LYS 197 CO -0.17 0.40 0.29 -1.21 0.10 0.00 0.00 175.35 174.76 2o3o s GLU 198 N -2.10 0.86 0.26 1.78 2.02 0.12 -4.96 118.70 116.68 2o3o s GLU 198 Ca 0.42 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 2o3o s GLU 198 Cb -0.15 0.37 -0.09 0.00 0.10 0.00 0.00 34.13 34.35 2o3o s GLU 198 CO 0.20 -0.29 1.22 0.45 0.02 0.00 0.00 175.26 176.86 2o3o s SER 199 N -2.37 7.02 0.28 -0.19 0.15 -1.26 0.25 113.70 117.58 2o3o s SER 199 Ca -0.01 2.40 0.06 0.00 0.70 0.00 0.00 55.95 59.10 2o3o s SER 199 Cb 0.01 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2o3o s SER 199 CO -0.07 -0.37 0.32 -0.76 1.20 0.00 0.00 173.24 173.57 2o3o s LEU 200 N -1.01 3.98 0.36 3.45 1.43 0.76 -2.91 118.68 124.75 2o3o s LEU 200 Ca 0.50 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 2o3o s LEU 200 Cb -0.35 -2.58 -0.10 0.00 0.03 0.00 0.00 46.19 43.19 2o3o s LEU 200 CO 0.43 -0.18 0.81 0.27 0.23 0.00 0.00 176.35 177.90 2o3o s ILE 201 N -2.12 4.58 0.62 -0.59 -4.36 0.04 -4.15 121.20 115.22 2o3o s ILE 201 Ca 0.37 1.13 -0.15 0.00 -0.26 0.00 0.00 60.65 61.74 2o3o s ILE 201 Cb -0.08 -3.61 -0.03 0.00 1.25 0.00 0.00 42.46 39.99 2o3o s ILE 201 CO 0.28 -0.23 1.06 0.42 0.24 0.00 0.00 174.94 176.71 2o3o s THR 202 N -2.05 3.87 -0.39 8.37 -4.23 -1.26 -4.79 115.64 115.16 2o3o s THR 202 Ca 0.57 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 2o3o s THR 202 Cb -0.10 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2o3o s THR 202 CO 0.16 -0.59 0.00 -0.62 -0.54 0.00 0.00 174.62 173.03 2o3o n GLU 203 N -2.28 0.00 0.00 3.99 1.02 -1.10 -0.54 120.64 121.74 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 0.53 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 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 0.34 0.00 -0.24 1.62 8.00 -1.26 -2.26 116.55 122.74 2o3o n ASP 205 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2o3o n ASP 205 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.97 -0.08 2.24 0.00 -1.12 -1.39 119.26 119.88 2o3o h ALA 206 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2o3o h ALA 206 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2o3o h ALA 206 CO 0.00 -0.08 -0.11 0.28 0.00 0.00 0.00 179.25 179.34 2o3o h VAL 207 N 0.57 1.39 -0.94 0.00 2.07 -1.73 -2.53 116.25 115.09 2o3o h VAL 207 Ca 0.35 -1.34 0.19 0.00 0.82 0.00 0.00 66.70 66.72 2o3o h VAL 207 Cb 0.40 2.10 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 2o3o h VAL 207 CO -0.28 0.38 0.60 -0.33 0.02 0.00 0.00 177.57 177.95 2o3o h GLU 208 N -0.25 0.54 -0.16 1.57 5.08 -1.81 -0.99 114.58 118.55 2o3o h GLU 208 Ca 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2o3o h GLU 208 Cb 0.66 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2o3o h GLU 208 CO 0.03 0.36 0.08 1.25 -1.00 0.00 0.00 179.01 179.72 2o3o h LEU 209 N 0.55 0.21 -0.28 1.33 5.85 -1.01 0.42 115.31 122.39 2o3o h LEU 209 Ca 0.50 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.15 2o3o h LEU 209 Cb 1.03 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2o3o h LEU 209 CO -0.24 0.27 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.06 2o3o h LEU 210 N 0.14 -0.11 -0.60 2.25 3.38 -0.81 -0.93 115.31 118.62 2o3o h LEU 210 Ca 0.06 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2o3o h LEU 210 Cb 0.11 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2o3o h LEU 210 CO -0.01 -0.02 0.36 0.22 0.09 0.00 0.00 178.44 179.08 2o3o h TYR 211 N 0.08 0.68 -0.56 1.13 3.20 -0.77 -2.40 116.97 118.34 2o3o h TYR 211 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2o3o h TYR 211 Cb 0.18 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2o3o h TYR 211 CO -0.21 0.38 0.24 -0.92 -1.64 0.00 0.00 178.16 176.01 2o3o h TYR 212 N 0.71 0.80 -0.18 -3.82 3.20 0.51 -1.55 116.97 116.65 2o3o h TYR 212 Ca 0.25 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2o3o h TYR 212 Cb 0.04 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2o3o h TYR 212 CO -0.06 0.61 0.02 1.04 -1.64 0.00 0.00 178.16 178.13 2o3o n GLN 213 N -4.35 2.07 -3.56 1.82 6.02 -0.42 -4.89 117.38 114.08 2o3o n GLN 213 Ca 0.05 -0.92 -0.19 0.00 -0.01 0.00 0.00 57.00 55.93 2o3o n GLN 213 Cb 0.15 -1.69 0.06 0.00 1.02 0.00 0.00 30.24 29.78 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 0.17 -1.61 -0.01 1.08 5.15 -0.58 -4.92 115.26 114.54 2o3o n ASN 214 Ca 0.09 -0.71 0.05 0.00 -0.60 0.00 0.00 54.58 53.41 2o3o n ASN 214 Cb 0.56 -4.62 -0.09 0.00 -0.53 0.00 0.00 39.78 35.10 2o3o n ASN 214 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2o3o n GLN 215 N -4.20 0.43 -3.98 1.20 1.13 -1.05 -5.02 117.38 105.89 2o3o n GLN 215 Ca -0.30 -0.10 -0.30 0.00 -1.94 0.00 0.00 57.00 54.37 2o3o n GLN 215 Cb 0.67 -1.26 -0.05 0.00 0.11 0.00 0.00 30.24 29.71 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 -3.81 4.12 0.19 1.08 1.43 -1.26 -5.02 118.68 115.40 2o3o s LEU 216 Ca -0.04 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2o3o s LEU 216 Cb 0.07 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2o3o s LEU 216 CO 0.45 0.15 0.34 -0.54 0.23 0.00 0.00 176.35 176.99 2o3o s LYS 217 N -2.58 3.47 0.61 1.70 1.02 -1.26 -5.05 119.74 117.66 2o3o s LYS 217 Ca 0.33 -0.51 -0.18 0.00 0.02 0.00 0.00 55.97 55.62 2o3o s LYS 217 Cb -0.12 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2o3o s LYS 217 CO 0.26 0.45 0.96 0.39 -0.92 0.00 0.00 175.35 176.48 2o3o n GLU 218 N -0.75 0.86 -3.30 1.68 1.02 -1.26 -2.93 120.64 115.96 2o3o n GLU 218 Ca -0.06 0.34 -0.24 0.00 -0.02 0.00 0.00 57.16 57.18 2o3o n GLU 218 Cb 0.54 -2.17 0.05 0.00 -0.02 0.00 0.00 31.44 29.84 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 -1.79 -2.30 -4.01 -0.32 4.02 -0.63 -4.94 117.16 107.19 2o3o n TYR 219 Ca 0.14 0.71 -0.29 0.00 -0.01 0.00 0.00 57.90 58.46 2o3o n TYR 219 Cb 0.48 -4.55 -0.05 0.00 -0.02 0.00 0.00 39.34 35.19 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 -2.95 5.89 -0.07 7.72 1.04 -1.15 -4.50 113.70 119.68 2o3o s SER 220 Ca 0.43 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.95 2o3o s SER 220 Cb -0.20 -1.67 -0.02 0.00 0.10 0.00 0.00 66.02 64.23 2o3o s SER 220 CO 0.54 0.12 -0.14 -0.89 0.98 0.00 0.00 173.24 173.85 2o3o s THR 221 N -1.59 3.08 -0.31 2.02 2.01 0.71 -1.89 115.64 119.68 2o3o s THR 221 Ca 0.32 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.42 2o3o s THR 221 Cb -0.12 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2o3o s THR 221 CO 0.25 0.57 0.66 -0.69 -0.69 0.00 0.00 174.62 174.72 2o3o s VAL 222 N -0.44 4.90 -0.03 3.82 1.01 0.30 -0.14 120.40 129.82 2o3o s VAL 222 Ca 0.05 0.87 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2o3o s VAL 222 Cb -0.12 -4.04 -0.25 0.00 0.00 0.00 0.00 36.38 31.97 2o3o s VAL 222 CO 0.02 -0.19 0.70 0.11 0.00 0.00 0.00 175.10 175.74 2o3o h LYS 223 N 8.22 0.15 -1.56 2.72 1.79 -0.68 -3.41 116.57 123.80 2o3o h LYS 223 Ca -0.26 -0.25 0.08 0.00 -2.18 0.00 0.00 60.65 58.04 2o3o h LYS 223 Cb 1.11 0.09 -0.24 0.00 -1.58 0.00 0.00 32.23 31.62 2o3o h LYS 223 CO 0.82 0.91 0.54 -1.54 -1.08 0.00 0.00 179.45 179.09 2o3o s SER 224 N -6.66 -0.38 -0.45 0.86 1.04 -1.14 -4.99 113.70 101.99 2o3o s SER 224 Ca -0.10 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.84 2o3o s SER 224 Cb 0.07 0.40 0.13 0.00 0.10 0.00 0.00 66.02 66.73 2o3o s SER 224 CO 0.82 -0.30 0.22 0.00 0.98 0.00 0.00 173.24 174.96 2o3o s LYS 226 N 0.29 3.64 -0.01 0.00 -0.14 -0.38 -4.89 119.74 118.26 2o3o s LYS 226 Ca 0.16 -0.04 -0.04 0.00 -1.36 0.00 0.00 55.97 54.69 2o3o s LYS 226 Cb -0.24 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 2o3o s LYS 226 CO -0.02 0.49 0.21 0.12 -0.76 0.00 0.00 175.35 175.39 2o3o s PHE 227 N -1.59 3.56 0.00 3.18 2.19 -1.26 -0.18 117.98 123.88 2o3o s PHE 227 Ca 0.39 0.44 0.00 0.00 0.33 0.00 0.00 56.93 58.09 2o3o s PHE 227 Cb -0.12 -1.89 0.00 0.00 -1.31 0.00 0.00 43.02 39.70 2o3o s PHE 227 CO 0.23 0.64 0.00 0.41 1.83 0.00 0.00 175.22 178.33 2o3o n GLY 228 N 1.04 1.65 3.08 13.12 0.00 -0.83 -4.42 105.19 118.84 2o3o n GLY 228 Ca -0.11 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.56 0.78 0.07 1.61 1.51 -0.65 -1.22 117.35 115.89 2o3o s TYR 229 Ca 0.00 -0.48 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 2o3o s TYR 229 Cb 0.00 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.36 2o3o s TYR 229 CO 0.00 -0.05 -0.15 0.14 -1.11 0.00 0.00 175.55 174.38 2o3o s VAL 230 N -1.32 1.14 0.25 0.71 -7.23 -0.54 0.12 120.40 113.54 2o3o s VAL 230 Ca -0.08 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 2o3o s VAL 230 Cb -0.10 -1.09 -0.10 0.00 0.56 0.00 0.00 36.38 35.66 2o3o s VAL 230 CO 0.01 -0.19 1.32 0.00 -0.31 0.00 0.00 175.10 175.93 2o3o s ALA 231 N -1.22 3.53 -0.13 1.32 0.00 -1.26 -1.02 121.76 122.99 2o3o s ALA 231 Ca -0.01 1.18 0.17 0.00 0.00 0.00 0.00 51.96 53.30 2o3o s ALA 231 Cb -0.10 -3.49 -0.23 0.00 0.00 0.00 0.00 23.12 19.30 2o3o s ALA 231 CO 0.02 -0.59 0.41 0.94 0.00 0.00 0.00 175.76 176.55 2o3o n GLN 232 N 1.96 0.66 0.00 0.00 7.27 -0.30 -4.89 117.38 122.08 2o3o n GLN 232 Ca 0.04 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.22 2o3o n GLN 232 Cb 0.42 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.42 2o3o n GLN 232 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 2o3o n TYR 233 N -2.82 0.00 -3.08 3.69 0.18 -1.26 -5.09 117.16 108.79 2o3o n TYR 233 Ca -0.22 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.37 2o3o n TYR 233 Cb 1.02 0.00 0.06 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 -1.59 0.61 0.00 -3.48 -0.04 -1.26 -3.65 135.00 125.59 2o3o n PRO 234 Ca 0.00 -3.13 0.00 0.00 -0.04 0.00 0.00 63.50 60.33 2o3o n PRO 234 Cb 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 2o3o n PRO 234 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2o3o n LEU 235 N 0.00 0.00 0.00 1.53 4.77 -0.89 -4.94 117.00 117.47 2o3o n LEU 235 Ca 0.16 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.17 2o3o n LEU 235 Cb 0.60 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 2o3o n LEU 235 CO 0.39 0.00 -0.04 0.41 -1.33 0.00 0.00 177.39 176.82 2o3o n THR 236 N 0.00 0.00 -0.33 -5.08 -1.04 -1.26 -3.77 114.28 102.80 2o3o n THR 236 Ca 0.00 0.00 0.35 0.00 -2.04 0.00 0.00 64.05 62.36 2o3o n THR 236 Cb 0.00 -0.07 0.63 0.00 -1.82 0.00 0.00 70.33 69.07 2o3o n THR 236 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2o3o h SER 237 N -0.20 0.00 -1.67 8.00 0.87 -2.00 -3.38 113.55 115.18 2o3o h SER 237 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.05 2o3o h SER 237 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2o3o h SER 237 CO 0.00 0.00 1.58 0.41 -0.53 0.00 0.00 176.83 178.29 2o3o n THR 238 N -3.62 0.08 -3.08 2.23 -1.04 -1.25 -4.00 114.28 103.61 2o3o n THR 238 Ca 0.27 -0.63 -0.39 0.00 -2.04 0.00 0.00 64.05 61.26 2o3o n THR 238 Cb 1.51 -2.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 2o3o n THR 238 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2o3o s GLN 239 N 7.53 4.42 -0.26 -2.82 -1.52 -0.93 -2.08 119.66 124.00 2o3o s GLN 239 Ca 1.01 0.84 -0.11 0.00 -1.95 0.00 0.00 55.36 55.14 2o3o s GLN 239 Cb -0.30 -3.44 -0.05 0.00 -0.22 0.00 0.00 33.01 29.01 2o3o s GLN 239 CO 0.31 0.10 0.20 0.08 -0.25 0.00 0.00 175.29 175.73 2o3o s VAL 240 N 0.69 5.32 -0.18 1.09 1.01 -1.24 -1.94 120.40 125.15 2o3o s VAL 240 Ca 0.36 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 2o3o s VAL 240 Cb -0.18 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2o3o s VAL 240 CO 0.18 0.28 0.04 -0.76 0.00 0.00 0.00 175.10 174.84 2o3o s LEU 241 N 1.50 3.70 0.01 3.92 1.43 0.17 -1.15 118.68 128.26 2o3o s LEU 241 Ca 0.08 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2o3o s LEU 241 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2o3o s LEU 241 CO 0.08 0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.84 2o3o s ALA 242 N 0.36 3.29 0.37 4.21 0.00 -0.19 -1.52 121.76 128.29 2o3o s ALA 242 Ca 0.02 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 2o3o s ALA 242 Cb -0.13 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.57 2o3o s ALA 242 CO 0.01 0.65 1.26 -1.25 0.00 0.00 0.00 175.76 176.43 2o3o s PRO 243 N -1.64 4.14 0.03 0.00 0.04 -1.26 -1.46 135.00 134.85 2o3o s PRO 243 Ca 0.20 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2o3o s PRO 243 Cb -0.12 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 2o3o s PRO 243 CO 0.11 -0.32 -0.04 0.14 0.04 0.00 0.00 177.00 176.93 2o3o s VAL 244 N -1.25 0.25 -0.14 -0.36 -7.23 -0.35 -1.77 120.40 109.53 2o3o s VAL 244 Ca 0.54 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.43 2o3o s VAL 244 Cb -0.36 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 2o3o s VAL 244 CO 0.47 -0.57 0.36 0.26 -0.31 0.00 0.00 175.10 175.32 2o3o s TRP 245 N -1.91 3.48 -0.43 2.82 0.52 0.45 -1.97 118.94 121.91 2o3o s TRP 245 Ca -0.10 0.71 -0.12 0.00 0.02 0.00 0.00 56.10 56.61 2o3o s TRP 245 Cb -0.07 -2.42 0.06 0.00 -1.15 0.00 0.00 33.47 29.89 2o3o s TRP 245 CO -0.02 0.22 0.30 0.50 0.02 0.00 0.00 176.95 177.96 2o3o s ARG 246 N 0.50 2.81 -0.25 4.98 3.00 0.75 -1.05 118.95 129.69 2o3o s ARG 246 Ca 0.20 -1.30 -0.09 0.00 -1.00 0.00 0.00 55.73 53.55 2o3o s ARG 246 Cb -0.14 -3.90 -0.04 0.00 0.00 0.00 0.00 34.95 30.87 2o3o s ARG 246 CO 0.06 -0.90 0.11 0.42 0.00 0.00 0.00 175.30 174.99 2o3o s ILE 247 N 1.55 4.76 -0.19 4.11 1.01 -0.53 -1.25 121.20 130.66 2o3o s ILE 247 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 2o3o s ILE 247 Cb -0.22 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2o3o s ILE 247 CO 0.05 0.33 0.11 -0.89 0.00 0.00 0.00 174.94 174.54 2o3o s THR 248 N 1.42 5.19 -0.03 2.92 2.01 -0.39 -1.07 115.64 125.70 2o3o s THR 248 Ca 0.06 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.20 2o3o s THR 248 Cb -0.15 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.01 2o3o s THR 248 CO 0.05 0.46 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 2o3o s VAL 249 N 0.23 0.94 0.20 3.82 1.01 -0.69 0.08 120.40 125.99 2o3o s VAL 249 Ca 0.07 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2o3o s VAL 249 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2o3o s VAL 249 CO -0.01 0.29 -0.15 -1.83 0.00 0.00 0.00 175.10 173.39 2o3o s GLU 250 N 0.12 1.33 0.25 2.72 -1.05 0.80 -0.50 118.70 122.38 2o3o s GLU 250 Ca -0.03 -1.55 -0.19 0.00 -0.15 0.00 0.00 54.97 53.06 2o3o s GLU 250 Cb -0.09 -1.19 0.02 0.00 -0.44 0.00 0.00 34.13 32.43 2o3o s GLU 250 CO 0.01 0.21 0.63 1.52 0.95 0.00 0.00 175.26 178.58 2o3o s TYR 251 N -2.73 -0.07 0.21 4.83 -0.85 -0.77 -0.20 117.35 117.77 2o3o s TYR 251 Ca 0.21 -0.34 -0.01 0.00 -0.52 0.00 0.00 57.07 56.41 2o3o s TYR 251 Cb -0.02 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 2o3o s TYR 251 CO 0.07 -1.12 0.40 -1.21 -1.52 0.00 0.00 175.55 172.17 2o3o s GLU 252 N -3.93 3.53 -0.28 -3.49 0.41 -1.26 -1.31 118.70 112.37 2o3o s GLU 252 Ca 0.13 -0.30 -0.17 0.00 -0.41 0.00 0.00 54.97 54.22 2o3o s GLU 252 Cb -0.04 -2.82 0.11 0.00 -1.78 0.00 0.00 34.13 29.60 2o3o s GLU 252 CO 0.05 0.39 0.85 0.21 -0.49 0.00 0.00 175.26 176.27 2o3o s LYS 253 N -3.32 0.54 -1.15 1.61 2.20 -0.57 -4.92 119.74 114.12 2o3o s LYS 253 Ca 0.39 0.91 -0.21 0.00 -0.36 0.00 0.00 55.97 56.69 2o3o s LYS 253 Cb -0.11 0.12 -0.00 0.00 -1.51 0.00 0.00 37.83 36.33 2o3o s LYS 253 CO 0.29 -0.11 1.78 0.15 -0.36 0.00 0.00 175.35 177.10 2o3o s LYS 254 N 1.40 3.21 -0.76 4.03 1.02 -1.26 -1.38 119.74 126.01 2o3o s LYS 254 Ca -0.09 -1.31 -0.25 0.00 0.02 0.00 0.00 55.97 54.34 2o3o s LYS 254 Cb -0.04 -5.34 -0.05 0.00 -0.52 0.00 0.00 37.83 31.88 2o3o s LYS 254 CO -0.16 -2.98 2.00 0.08 -0.92 0.00 0.00 175.35 173.36 2o3o s VAL 255 N 7.46 3.34 0.00 3.17 1.01 0.19 -4.62 120.40 130.95 2o3o s VAL 255 Ca 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2o3o s VAL 255 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2o3o s VAL 255 CO 0.05 -0.77 0.00 -3.20 0.00 0.00 0.00 175.10 171.18 2o3o n ASN 256 N 14.16 0.00 0.07 3.32 2.85 -1.26 -3.44 115.26 130.96 2o3o n ASN 256 Ca 0.33 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.82 2o3o n ASN 256 Cb 0.49 0.00 0.35 0.00 1.24 0.00 0.00 39.78 41.86 2o3o n ASN 256 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2o3o h GLY 257 N 0.00 0.38 -3.55 8.20 0.00 -2.02 -3.45 103.07 102.64 2o3o h GLY 257 Ca 0.00 -0.23 -0.49 0.00 0.00 0.00 0.00 47.33 46.61 2o3o h GLY 257 CO 0.00 0.21 0.39 -0.54 0.00 0.00 0.00 176.54 176.60 2o3o s GLU 258 N -4.83 4.70 0.25 4.80 2.02 -1.22 -4.99 118.70 119.42 2o3o s GLU 258 Ca -0.06 1.54 -0.22 0.00 0.02 0.00 0.00 54.97 56.25 2o3o s GLU 258 Cb 0.15 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 2o3o s GLU 258 CO 0.74 0.35 0.80 0.21 0.02 0.00 0.00 175.26 177.38 2o3o s LYS 259 N -1.51 4.37 -0.05 1.61 2.20 -1.26 -0.63 119.74 124.46 2o3o s LYS 259 Ca 0.45 1.03 -0.19 0.00 -0.36 0.00 0.00 55.97 56.90 2o3o s LYS 259 Cb -0.26 -2.88 0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2o3o s LYS 259 CO 0.32 0.37 0.42 0.21 -0.36 0.00 0.00 175.35 176.31 2o3o s LYS 260 N -1.94 0.73 -0.36 4.03 2.20 -0.48 -4.82 119.74 119.10 2o3o s LYS 260 Ca 0.45 0.05 -0.27 0.00 -0.36 0.00 0.00 55.97 55.84 2o3o s LYS 260 Cb -0.18 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2o3o s LYS 260 CO 0.22 -0.19 0.96 0.99 -0.36 0.00 0.00 175.35 176.97 2o3o s THR 261 N -1.02 4.56 0.10 3.43 2.01 -1.26 -1.51 115.64 121.95 2o3o s THR 261 Ca -0.11 1.32 0.02 0.00 0.31 0.00 0.00 61.69 63.24 2o3o s THR 261 Cb -0.04 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2o3o s THR 261 CO 0.05 -0.53 0.18 -0.69 -0.69 0.00 0.00 174.62 172.94 2o3o s VAL 262 N 3.53 5.01 -0.03 3.82 1.01 -0.43 -4.97 120.40 128.34 2o3o s VAL 262 Ca 0.40 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.79 2o3o s VAL 262 Cb -0.12 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2o3o s VAL 262 CO 0.18 0.05 -0.22 -1.10 0.00 0.00 0.00 175.10 174.02 2o3o s GLN 263 N -2.71 1.95 0.15 2.72 -0.21 -1.26 -1.84 119.66 118.46 2o3o s GLN 263 Ca 0.33 -0.78 0.10 0.00 0.02 0.00 0.00 55.36 55.03 2o3o s GLN 263 Cb -0.12 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 2o3o s GLN 263 CO 0.26 0.41 -0.24 -1.21 -2.12 0.00 0.00 175.29 172.39 2o3o s GLU 264 N -0.33 1.36 0.04 2.91 2.02 0.35 -5.00 118.70 120.04 2o3o s GLU 264 Ca 0.04 -1.37 0.05 0.00 0.02 0.00 0.00 54.97 53.70 2o3o s GLU 264 Cb -0.10 -1.72 -0.02 0.00 0.10 0.00 0.00 34.13 32.38 2o3o s GLU 264 CO 0.01 0.39 -0.14 0.71 0.02 0.00 0.00 175.26 176.25 2o3o s TYR 265 N -1.35 1.20 0.06 1.61 1.51 -1.26 -1.71 117.35 117.40 2o3o s TYR 265 Ca 0.15 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 2o3o s TYR 265 Cb -0.09 -0.71 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 2o3o s TYR 265 CO 0.07 0.03 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.40 2o3o s PHE 266 N -0.84 0.70 -0.19 2.71 0.40 -0.23 -5.01 117.98 115.52 2o3o s PHE 266 Ca 0.01 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.73 2o3o s PHE 266 Cb -0.08 -0.42 0.04 0.00 0.51 0.00 0.00 43.02 43.08 2o3o s PHE 266 CO 0.01 -0.11 -0.08 0.99 0.70 0.00 0.00 175.22 176.73 2o3o s THR 267 N -2.01 1.45 -0.10 0.64 2.01 -1.26 -1.46 115.64 114.91 2o3o s THR 267 Ca -0.04 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 2o3o s THR 267 Cb -0.06 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2o3o s THR 267 CO -0.01 0.11 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.28 2o3o s VAL 268 N 1.47 3.69 0.06 3.82 1.01 -0.22 -4.96 120.40 125.27 2o3o s VAL 268 Ca -0.01 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 2o3o s VAL 268 Cb -0.16 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 2o3o s VAL 268 CO -0.08 0.56 1.47 0.21 0.00 0.00 0.00 175.10 177.26 2o3o s ASN 269 N -0.31 6.77 0.19 3.32 3.84 -1.26 -0.42 114.94 127.07 2o3o s ASN 269 Ca 0.04 2.29 0.09 0.00 0.21 0.00 0.00 52.86 55.50 2o3o s ASN 269 Cb -0.13 -2.57 -0.01 0.00 -0.55 0.00 0.00 41.25 37.99 2o3o s ASN 269 CO 0.02 -0.75 1.39 0.00 -2.79 0.00 0.00 177.10 174.98 2o3o h ALA 270 N 7.60 0.56 -2.05 1.71 0.00 -1.66 -3.45 119.26 121.97 2o3o h ALA 270 Ca -0.40 -0.75 -0.57 0.00 0.00 0.00 0.00 54.91 53.19 2o3o h ALA 270 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2o3o h ALA 270 CO 0.90 1.03 1.21 -0.51 0.00 0.00 0.00 179.25 181.88 2o3o s LEU 271 N -6.89 3.84 -0.33 0.00 1.43 -1.26 -0.78 118.68 114.70 2o3o s LEU 271 Ca 0.01 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 2o3o s LEU 271 Cb 0.10 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.81 2o3o s LEU 271 CO 0.79 -1.39 1.07 -0.70 0.23 0.00 0.00 176.35 176.34 2o3o s GLU 272 N 5.02 4.05 -0.37 1.70 2.12 -1.14 -4.88 118.70 125.20 2o3o s GLU 272 Ca 0.79 1.03 0.03 0.00 0.36 0.00 0.00 54.97 57.18 2o3o s GLU 272 Cb -0.28 -3.74 0.18 0.00 0.26 0.00 0.00 34.13 30.55 2o3o s GLU 272 CO 0.32 -0.91 0.74 -1.54 -0.54 0.00 0.00 175.26 173.33 2o3o s SER 273 N 1.69 -1.21 -0.10 -1.70 1.04 -1.26 -4.73 113.70 107.43 2o3o s SER 273 Ca 0.45 -0.47 -0.09 0.00 0.48 0.00 0.00 55.95 56.33 2o3o s SER 273 Cb -0.12 1.58 -0.05 0.00 0.10 0.00 0.00 66.02 67.53 2o3o s SER 273 CO 0.16 -0.15 -0.19 0.35 0.98 0.00 0.00 173.24 174.39 2o3o n THR 274 N 4.42 1.09 -3.64 2.02 -2.24 -1.26 -5.00 114.28 109.66 2o3o n THR 274 Ca 0.09 0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.52 2o3o n THR 274 Cb 0.58 -1.85 -0.08 0.00 -2.10 0.00 0.00 70.33 66.88 2o3o n THR 274 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2o3o s ILE 275 N -2.38 5.35 0.00 2.28 1.01 -1.26 -5.09 121.20 121.12 2o3o s ILE 275 Ca -0.18 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2o3o s ILE 275 Cb 0.05 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2o3o s ILE 275 CO 0.25 0.38 0.00 0.18 0.00 0.00 0.00 174.94 175.74 2o3o n LEU 276 N 3.94 0.00 -0.26 2.97 4.32 -1.26 -5.23 117.00 121.47 2o3o n LEU 276 Ca -0.14 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.88 2o3o n LEU 276 Cb 0.52 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.35 2o3o n LEU 276 CO 0.37 0.00 0.35 0.47 -1.22 0.00 0.00 177.39 177.36