#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 0.46 0.00 -1.58 4.57 -2.06 -2.45 114.58 113.52 2o3o h GLU 35 Ca 0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2o3o h GLU 35 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2o3o h GLU 35 CO 0.00 0.95 0.00 0.10 -1.18 0.00 0.00 179.01 178.88 2o3o h TYR 36 N 0.34 0.00 -0.53 0.92 -0.00 -2.04 -1.88 116.97 113.78 2o3o h TYR 36 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.60 2o3o h TYR 36 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.90 2o3o h TYR 36 CO 0.04 0.00 -0.14 1.49 -0.00 0.00 0.00 178.16 179.55 2o3o h GLU 37 N 0.00 1.03 -0.34 0.10 4.57 -1.87 0.44 114.58 118.51 2o3o h GLU 37 Ca 0.00 -0.40 0.01 0.00 -1.18 0.00 0.00 59.36 57.79 2o3o h GLU 37 Cb 0.16 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2o3o h GLU 37 CO 0.00 1.09 0.22 0.28 -1.18 0.00 0.00 179.01 179.42 2o3o h VAL 38 N 0.90 1.07 0.05 0.32 2.07 -1.45 -2.23 116.25 116.99 2o3o h VAL 38 Ca 0.13 -0.15 -0.23 0.00 0.82 0.00 0.00 66.70 67.27 2o3o h VAL 38 Cb 0.72 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2o3o h VAL 38 CO 0.06 0.08 -1.06 0.40 0.02 0.00 0.00 177.57 177.06 2o3o h ILE 39 N 0.45 1.59 0.66 4.57 1.08 -1.33 -1.84 117.51 122.69 2o3o h ILE 39 Ca 0.13 -3.12 -0.03 0.00 -0.39 0.00 0.00 64.86 61.44 2o3o h ILE 39 Cb -0.04 2.81 0.01 0.00 -3.07 0.00 0.00 36.82 36.53 2o3o h ILE 39 CO -0.04 0.90 -0.32 0.11 -0.69 0.00 0.00 178.15 178.12 2o3o h LYS 40 N 0.05 -0.85 0.00 2.37 1.57 -0.12 -2.54 116.57 117.05 2o3o h LYS 40 Ca -0.06 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2o3o h LYS 40 Cb 1.79 0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.29 2o3o h LYS 40 CO 0.16 -0.54 0.00 0.27 -0.57 0.00 0.00 179.45 178.76 2o3o n ASN 41 N -5.44 0.44 0.21 0.86 6.94 -0.84 -0.73 115.26 116.70 2o3o n ASN 41 Ca -0.13 0.63 -0.09 0.00 -0.02 0.00 0.00 54.58 54.97 2o3o n ASN 41 Cb 0.37 -0.71 -0.04 0.00 -2.36 0.00 0.00 39.78 37.03 2o3o n ASN 41 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2o3o h ASP 42 N 0.00 -0.48 -0.80 0.53 3.32 -1.16 -2.82 116.42 115.01 2o3o h ASP 42 Ca 0.00 0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.24 2o3o h ASP 42 Cb 0.26 0.12 -0.15 0.00 0.22 0.00 0.00 39.33 39.79 2o3o h ASP 42 CO 0.00 -0.22 -0.11 0.58 -1.72 0.00 0.00 179.24 177.77 2o3o h VAL 43 N -0.83 0.24 -0.70 -1.35 2.07 -0.79 0.23 116.25 115.12 2o3o h VAL 43 Ca -0.06 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.60 2o3o h VAL 43 Cb 0.44 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.30 2o3o h VAL 43 CO 0.10 0.01 0.13 -0.08 0.02 0.00 0.00 177.57 177.74 2o3o h GLU 44 N 0.03 0.23 -0.06 1.57 4.57 -1.02 -2.70 114.58 117.20 2o3o h GLU 44 Ca 0.41 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.47 2o3o h GLU 44 Cb 0.69 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2o3o h GLU 44 CO -0.77 0.15 -0.37 0.45 -1.18 0.00 0.00 179.01 177.29 2o3o h HIS 45 N 0.23 0.48 0.00 0.92 3.86 -0.40 -2.43 115.15 117.82 2o3o h HIS 45 Ca 0.38 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2o3o h HIS 45 Cb 0.64 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2o3o h HIS 45 CO -0.29 0.98 0.00 -0.25 0.86 0.00 0.00 177.93 179.23 2o3o n ASP 46 N -4.38 0.00 0.00 2.45 10.43 0.20 -0.87 116.55 124.38 2o3o n ASP 46 Ca -0.09 -0.12 0.00 0.00 2.57 0.00 0.00 54.79 57.15 2o3o n ASP 46 Cb 0.53 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.49 2o3o n ASP 46 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2o3o n LYS 48 N 1.01 0.00 -0.08 -1.24 3.00 -0.92 -2.06 118.16 117.88 2o3o n LYS 48 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 2o3o n LYS 48 Cb 0.00 0.00 0.47 0.00 0.00 0.00 0.00 35.03 35.50 2o3o n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2o3o h ALA 49 N 0.00 1.94 -0.32 3.14 0.00 -1.30 0.22 119.26 122.94 2o3o h ALA 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2o3o h ALA 49 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2o3o h ALA 49 CO 0.00 -0.05 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 2o3o n ASP 50 N -4.47 3.43 -4.11 0.00 8.00 -0.87 -4.94 116.55 113.59 2o3o n ASP 50 Ca 0.09 -2.45 -0.28 0.00 0.71 0.00 0.00 54.79 52.86 2o3o n ASP 50 Cb 0.31 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.38 -1.50 -3.56 1.24 8.25 0.78 -2.07 115.22 118.74 2o3o n HIS 51 Ca 0.15 0.70 -0.37 0.00 -0.26 0.00 0.00 57.72 57.94 2o3o n HIS 51 Cb 0.72 -3.34 -0.08 0.00 1.12 0.00 0.00 29.99 28.42 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 -4.09 5.31 -0.15 1.59 1.01 -1.26 -2.83 121.20 120.78 2o3o s ILE 52 Ca 0.04 0.44 -0.04 0.00 0.00 0.00 0.00 60.65 61.10 2o3o s ILE 52 Cb -0.02 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 2o3o s ILE 52 CO 0.93 0.35 -0.03 -0.89 0.00 0.00 0.00 174.94 175.30 2o3o s THR 53 N 0.83 3.96 0.02 2.92 2.01 -0.87 -4.67 115.64 119.84 2o3o s THR 53 Ca 0.14 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 2o3o s THR 53 Cb -0.13 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 2o3o s THR 53 CO 0.04 0.50 -0.01 -0.72 -0.69 0.00 0.00 174.62 173.74 2o3o s TYR 54 N 0.30 0.26 -0.02 4.92 1.13 -1.26 -0.98 117.35 121.69 2o3o s TYR 54 Ca -0.03 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.10 2o3o s TYR 54 Cb -0.14 -0.19 0.02 0.00 -1.10 0.00 0.00 41.96 40.55 2o3o s TYR 54 CO 0.03 -0.22 0.00 -1.21 -2.51 0.00 0.00 175.55 171.64 2o3o s GLU 55 N -1.65 0.20 -1.39 -3.49 2.02 -1.26 -4.92 118.70 108.21 2o3o s GLU 55 Ca -0.14 0.07 -0.08 0.00 0.02 0.00 0.00 54.97 54.84 2o3o s GLU 55 Cb -0.08 -0.37 0.03 0.00 0.10 0.00 0.00 34.13 33.81 2o3o s GLU 55 CO -0.01 -0.11 1.03 0.41 0.02 0.00 0.00 175.26 176.60 2o3o n GLY 56 N 3.92 -0.47 3.76 -1.39 0.00 -1.26 -4.97 105.19 104.79 2o3o n GLY 56 Ca -0.24 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -7.08 4.43 0.27 0.99 1.43 -1.26 -5.05 118.68 112.42 2o3o s LEU 57 Ca 0.45 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 2o3o s LEU 57 Cb -0.21 -3.05 -0.10 0.00 0.03 0.00 0.00 46.19 42.86 2o3o s LEU 57 CO 0.77 0.07 1.40 0.21 0.23 0.00 0.00 176.35 179.04 2o3o s ASN 58 N -0.18 6.68 0.00 2.29 3.84 -1.26 -4.93 114.94 121.38 2o3o s ASN 58 Ca 0.34 2.68 0.11 0.00 0.21 0.00 0.00 52.86 56.20 2o3o s ASN 58 Cb -0.19 -2.63 -0.02 0.00 -0.55 0.00 0.00 41.25 37.85 2o3o s ASN 58 CO 0.20 -0.66 0.64 0.29 -2.79 0.00 0.00 177.10 174.78 2o3o n LYS 59 N 1.86 2.26 -3.25 0.43 5.02 -1.26 -3.12 118.16 120.10 2o3o n LYS 59 Ca 0.05 -0.53 -0.39 0.00 -2.02 0.00 0.00 58.31 55.42 2o3o n LYS 59 Cb 0.41 -1.10 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.56 4.24 0.70 1.97 0.41 -1.26 -4.90 118.70 118.29 2o3o s GLU 60 Ca 0.08 0.78 -0.13 0.00 -0.41 0.00 0.00 54.97 55.29 2o3o s GLU 60 Cb 0.09 -3.24 0.02 0.00 -1.78 0.00 0.00 34.13 29.22 2o3o s GLU 60 CO 0.31 0.63 1.10 0.00 -0.49 0.00 0.00 175.26 176.81 2o3o s ALA 61 N -1.10 2.40 0.26 5.21 0.00 -1.26 -4.70 121.76 122.57 2o3o s ALA 61 Ca 0.30 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2o3o s ALA 61 Cb -0.20 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2o3o s ALA 61 CO 0.20 -1.44 0.26 0.95 0.00 0.00 0.00 175.76 175.72 2o3o s THR 62 N -2.56 0.00 -0.16 0.00 -4.23 -1.26 -5.04 115.64 102.39 2o3o s THR 62 Ca 0.65 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 2o3o s THR 62 Cb -0.19 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.18 2o3o s THR 62 CO 0.47 0.00 -0.18 -1.61 -0.54 0.00 0.00 174.62 172.76 2o3o s GLU 63 N -3.78 2.69 0.00 3.99 0.41 -1.26 -0.70 118.70 120.06 2o3o s GLU 63 Ca 0.37 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 2o3o s GLU 63 Cb 0.04 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 2o3o s GLU 63 CO 0.18 -0.21 0.00 0.41 -0.49 0.00 0.00 175.26 175.14 2o3o n GLY 64 N 4.66 6.37 3.17 -1.39 0.00 -0.25 -4.91 105.19 112.83 2o3o n GLY 64 Ca -0.19 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 2o3o n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o3o s TYR 65 N 0.54 -0.39 0.06 1.61 1.51 -1.26 -2.09 117.35 117.33 2o3o s TYR 65 Ca 0.00 0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 56.68 2o3o s TYR 65 Cb 0.00 0.13 -0.05 0.00 -0.11 0.00 0.00 41.96 41.93 2o3o s TYR 65 CO 0.00 -0.22 1.05 0.50 -1.11 0.00 0.00 175.55 175.77 2o3o s ARG 66 N 0.73 4.56 0.11 -0.62 3.52 -0.91 -4.28 118.95 122.05 2o3o s ARG 66 Ca -0.05 1.56 0.07 0.00 -0.13 0.00 0.00 55.73 57.18 2o3o s ARG 66 Cb -0.06 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 2o3o s ARG 66 CO -0.05 -0.04 -0.16 0.96 -0.81 0.00 0.00 175.30 175.20 2o3o s ILE 67 N 0.66 1.43 0.13 4.11 -4.36 -0.52 -1.30 121.20 121.35 2o3o s ILE 67 Ca 0.52 -1.57 0.06 0.00 -0.26 0.00 0.00 60.65 59.41 2o3o s ILE 67 Cb -0.25 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 2o3o s ILE 67 CO 0.30 -0.25 -0.02 0.42 0.24 0.00 0.00 174.94 175.62 2o3o s THR 68 N -1.60 3.74 -0.08 8.37 -4.23 -0.52 0.33 115.64 121.64 2o3o s THR 68 Ca 0.06 -1.25 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 2o3o s THR 68 Cb -0.08 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.99 2o3o s THR 68 CO 0.04 0.01 0.47 0.00 -0.54 0.00 0.00 174.62 174.60 2o3o s ALA 69 N -1.48 -1.20 0.56 3.99 0.00 -0.77 -1.06 121.76 121.80 2o3o s ALA 69 Ca 0.26 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 2o3o s ALA 69 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2o3o s ALA 69 CO 0.17 -0.28 0.89 -0.80 0.00 0.00 0.00 175.76 175.74 2o3o s ASN 70 N -0.79 5.90 -0.45 0.00 -0.87 -0.02 -0.77 114.94 117.94 2o3o s ASN 70 Ca -0.09 0.92 -0.20 0.00 -1.57 0.00 0.00 52.86 51.92 2o3o s ASN 70 Cb -0.03 -2.02 0.03 0.00 -0.02 0.00 0.00 41.25 39.21 2o3o s ASN 70 CO 0.05 -0.89 0.65 -1.58 -2.57 0.00 0.00 177.10 172.76 2o3o s GLN 71 N -4.96 3.25 0.01 -0.60 2.00 -1.10 -1.69 119.66 116.57 2o3o s GLN 71 Ca 0.52 -0.47 -0.36 0.00 -2.00 0.00 0.00 55.36 53.05 2o3o s GLN 71 Cb -0.11 -3.98 -0.14 0.00 0.80 0.00 0.00 33.01 29.58 2o3o s GLN 71 CO 0.47 -1.06 1.61 1.17 -0.50 0.00 0.00 175.29 176.97 2o3o n LYS 72 N 6.28 1.72 -4.08 1.67 3.00 0.58 -4.94 118.16 122.39 2o3o n LYS 72 Ca -0.02 0.62 -0.34 0.00 -0.00 0.00 0.00 58.31 58.56 2o3o n LYS 72 Cb 0.47 -2.36 -0.10 0.00 0.00 0.00 0.00 35.03 33.04 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 1.94 5.52 -0.08 3.14 0.15 -1.26 -4.54 113.70 118.56 2o3o s SER 73 Ca 0.87 0.07 -0.13 0.00 0.70 0.00 0.00 55.95 57.46 2o3o s SER 73 Cb -0.82 -1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 2o3o s SER 73 CO 0.48 0.19 0.31 -0.36 1.20 0.00 0.00 173.24 175.07 2o3o s PHE 74 N 0.25 3.62 0.21 3.44 0.40 0.43 -4.99 117.98 121.33 2o3o s PHE 74 Ca 0.03 0.77 0.05 0.00 -0.60 0.00 0.00 56.93 57.17 2o3o s PHE 74 Cb -0.12 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 2o3o s PHE 74 CO 0.01 0.54 0.30 -1.54 0.70 0.00 0.00 175.22 175.23 2o3o s SER 75 N -0.58 6.17 0.14 1.36 1.04 -1.26 -4.40 113.70 116.16 2o3o s SER 75 Ca 0.20 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 2o3o s SER 75 Cb -0.14 -1.79 -0.06 0.00 0.10 0.00 0.00 66.02 64.13 2o3o s SER 75 CO 0.08 -0.02 1.57 0.50 0.98 0.00 0.00 173.24 176.35 2o3o h LYS 76 N 1.58 -0.43 -0.92 4.02 3.64 -1.98 -0.45 116.57 122.04 2o3o h LYS 76 Ca -0.50 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.05 2o3o h LYS 76 Cb 1.22 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.98 2o3o h LYS 76 CO 0.63 -0.28 -0.37 0.93 -2.27 0.00 0.00 179.45 178.09 2o3o h GLU 77 N -0.44 -0.03 -0.04 1.90 5.08 -1.96 -1.26 114.58 117.83 2o3o h GLU 77 Ca 0.09 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2o3o h GLU 77 Cb 0.62 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2o3o h GLU 77 CO -0.49 -0.02 -0.06 0.93 -1.00 0.00 0.00 179.01 178.37 2o3o h GLU 78 N -0.03 -0.09 0.34 2.33 5.08 -1.54 -2.52 114.58 118.15 2o3o h GLU 78 Ca 0.33 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2o3o h GLU 78 Cb 0.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2o3o h GLU 78 CO -0.93 -0.06 -0.16 0.82 -1.00 0.00 0.00 179.01 177.68 2o3o h ILE 79 N -0.09 0.67 -0.21 3.13 2.04 -0.01 -2.56 117.51 120.48 2o3o h ILE 79 Ca 0.04 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2o3o h ILE 79 Cb 0.14 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2o3o h ILE 79 CO -0.09 0.01 0.00 -1.84 0.00 0.00 0.00 178.15 176.23 2o3o n GLU 80 N -5.27 2.36 0.00 2.37 0.28 -0.79 -2.68 120.64 116.90 2o3o n GLU 80 Ca -0.10 -1.13 0.10 0.00 -0.16 0.00 0.00 57.16 55.86 2o3o n GLU 80 Cb 0.21 -1.73 0.07 0.00 1.43 0.00 0.00 31.44 31.41 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 0.23 2.60 -2.57 -1.84 0.00 -0.95 -4.88 120.51 113.10 2o3o n ALA 81 Ca 0.10 -0.64 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2o3o n ALA 81 Cb 0.57 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.70 3.91 0.28 0.00 1.43 -1.09 -5.03 118.68 116.48 2o3o s LEU 82 Ca 0.21 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 2o3o s LEU 82 Cb 0.16 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.00 2o3o s LEU 82 CO 0.28 -1.11 1.09 -0.75 0.23 0.00 0.00 176.35 176.09 2o3o s LYS 83 N 3.95 4.63 -1.34 1.70 2.20 -1.26 -3.54 119.74 126.08 2o3o s LYS 83 Ca 0.40 1.78 -0.05 0.00 -0.36 0.00 0.00 55.97 57.73 2o3o s LYS 83 Cb -0.09 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2o3o s LYS 83 CO 0.28 0.21 0.72 -0.25 -0.36 0.00 0.00 175.35 175.95 2o3o n ASP 84 N 1.15 -5.76 -3.82 1.43 8.00 -1.26 -4.99 116.55 111.30 2o3o n ASP 84 Ca -0.01 -0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.03 2o3o n ASP 84 Cb 0.45 -4.52 -0.14 0.00 -0.02 0.00 0.00 41.12 36.89 2o3o n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2o3o s GLN 85 N -5.78 0.05 0.09 -1.24 -0.21 -1.23 -0.53 119.66 110.81 2o3o s GLN 85 Ca 0.36 0.15 0.10 0.00 0.02 0.00 0.00 55.36 55.98 2o3o s GLN 85 Cb -0.16 -0.05 -0.03 0.00 1.00 0.00 0.00 33.01 33.77 2o3o s GLN 85 CO 0.44 -0.06 -0.25 0.15 -2.12 0.00 0.00 175.29 173.44 2o3o s LYS 86 N 0.40 1.51 0.43 2.91 -0.14 0.77 -4.90 119.74 120.72 2o3o s LYS 86 Ca -0.03 -1.20 -0.24 0.00 -1.36 0.00 0.00 55.97 53.14 2o3o s LYS 86 Cb -0.04 -1.83 -0.08 0.00 -1.68 0.00 0.00 37.83 34.19 2o3o s LYS 86 CO -0.01 0.45 1.14 -1.25 -0.76 0.00 0.00 175.35 174.92 2o3o s PRO 87 N -1.66 3.92 -0.51 -1.68 0.04 -1.26 -0.63 135.00 133.22 2o3o s PRO 87 Ca 0.12 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.93 2o3o s PRO 87 Cb -0.10 -2.50 0.39 0.00 0.04 0.00 0.00 34.50 32.33 2o3o s PRO 87 CO 0.04 -0.40 1.10 1.28 0.04 0.00 0.00 177.00 179.06 2o3o n LEU 88 N -0.26 4.79 0.00 -3.56 4.77 0.24 -4.83 117.00 118.16 2o3o n LEU 88 Ca 0.06 -5.35 0.00 0.00 -0.03 0.00 0.00 56.01 50.69 2o3o n LEU 88 Cb 0.48 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2o3o n LEU 88 CO 0.48 2.26 0.00 0.47 -1.33 0.00 0.00 177.39 179.26 2o3o n ASP 90 N -0.40 0.00 -4.85 -1.43 8.00 -1.26 -4.87 116.55 111.73 2o3o n ASP 90 Ca 0.37 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.50 2o3o n ASP 90 Cb 0.55 0.00 -0.06 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 0.16 3.38 0.05 -0.24 0.04 -1.26 -4.89 135.00 132.23 2o3o s PRO 92 Ca 0.00 -0.17 0.01 0.00 0.04 0.00 0.00 61.00 60.88 2o3o s PRO 92 Cb 0.00 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 2o3o s PRO 92 CO 0.00 0.77 0.03 -1.13 0.04 0.00 0.00 177.00 176.71 2o3o n SER 93 N 1.99 0.51 -0.29 6.66 3.41 0.92 -4.93 113.62 121.89 2o3o n SER 93 Ca -0.20 -1.31 -0.06 0.00 -0.26 0.00 0.00 58.87 57.04 2o3o n SER 93 Cb 0.55 0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.26 1.11 0.41 4.04 5.19 -2.07 -3.27 116.42 122.09 2o3o h ASP 94 Ca -0.04 -0.18 -0.31 0.00 -0.62 0.00 0.00 57.03 55.88 2o3o h ASP 94 Cb 0.17 -0.29 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 2o3o h ASP 94 CO 0.06 0.99 -1.73 0.44 -3.12 0.00 0.00 179.24 175.88 2o3o h ASP 95 N 1.16 0.16 -3.37 6.45 3.32 -2.08 -3.46 116.42 118.60 2o3o h ASP 95 Ca 0.26 -0.33 -0.64 0.00 0.02 0.00 0.00 57.03 56.34 2o3o h ASP 95 Cb 0.24 -0.05 -0.23 0.00 0.22 0.00 0.00 39.33 39.51 2o3o h ASP 95 CO -0.02 1.29 -0.67 -2.28 -1.72 0.00 0.00 179.24 175.84 2o3o s HIS 96 N -2.59 3.01 0.09 4.55 2.46 -1.23 -5.11 115.29 116.46 2o3o s HIS 96 Ca -0.10 -0.44 0.01 0.00 0.47 0.00 0.00 55.06 55.00 2o3o s HIS 96 Cb 0.08 -2.02 -0.04 0.00 -0.13 0.00 0.00 32.58 30.47 2o3o s HIS 96 CO 0.81 -0.18 0.20 0.15 -2.47 0.00 0.00 174.74 173.25 2o3o s LYS 97 N 0.74 3.31 -0.43 2.88 1.02 -1.26 -0.06 119.74 125.94 2o3o s LYS 97 Ca -0.01 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 55.33 2o3o s LYS 97 Cb -0.14 -2.95 0.07 0.00 -0.52 0.00 0.00 37.83 34.29 2o3o s LYS 97 CO 0.02 0.58 0.30 0.08 -0.92 0.00 0.00 175.35 175.40 2o3o s VAL 98 N -1.55 4.55 -1.62 3.17 1.01 -1.26 -4.90 120.40 119.79 2o3o s VAL 98 Ca 0.34 -1.26 0.15 0.00 0.00 0.00 0.00 61.98 61.21 2o3o s VAL 98 Cb -0.12 -3.74 0.28 0.00 0.00 0.00 0.00 36.38 32.79 2o3o s VAL 98 CO 0.27 -0.51 1.18 0.35 0.00 0.00 0.00 175.10 176.39 2o3o n THR 99 N 5.01 0.51 -3.41 3.92 -2.24 -1.26 -0.43 114.28 116.38 2o3o n THR 99 Ca -0.11 -0.76 -0.18 0.00 -2.27 0.00 0.00 64.05 60.73 2o3o n THR 99 Cb 0.43 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 2o3o n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2o3o s SER 100 N -1.15 1.77 0.28 3.42 0.15 -1.26 -4.63 113.70 112.29 2o3o s SER 100 Ca 0.26 -0.94 -0.29 0.00 0.70 0.00 0.00 55.95 55.67 2o3o s SER 100 Cb 0.15 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.80 2o3o s SER 100 CO 0.21 -0.37 1.03 -0.76 1.20 0.00 0.00 173.24 174.55 2o3o s LEU 101 N 2.18 4.52 -0.01 3.45 1.43 -0.36 -4.90 118.68 125.00 2o3o s LEU 101 Ca 0.11 2.11 0.02 0.00 -1.03 0.00 0.00 54.13 55.34 2o3o s LEU 101 Cb -0.14 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 2o3o s LEU 101 CO -0.28 -0.08 -0.08 -0.75 0.23 0.00 0.00 176.35 175.39 2o3o s LYS 102 N -1.53 0.63 -0.19 1.70 2.20 -1.26 -1.13 119.74 120.16 2o3o s LYS 102 Ca 0.45 -0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.52 2o3o s LYS 102 Cb -0.28 -0.61 0.09 0.00 -1.51 0.00 0.00 37.83 35.52 2o3o s LYS 102 CO 0.35 0.16 0.80 0.21 -0.36 0.00 0.00 175.35 176.51 2o3o s LYS 104 N -0.15 0.81 -0.15 4.03 2.20 0.19 -0.59 119.74 126.08 2o3o s LYS 104 Ca 0.03 0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 56.05 2o3o s LYS 104 Cb -0.03 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 2o3o s LYS 104 CO -0.00 -0.17 0.48 -0.06 -0.36 0.00 0.00 175.35 175.23 2o3o s PHE 105 N -0.31 3.45 0.32 4.03 0.40 -0.50 -0.16 117.98 125.21 2o3o s PHE 105 Ca -0.03 0.82 0.09 0.00 -0.60 0.00 0.00 56.93 57.21 2o3o s PHE 105 Cb -0.03 -2.58 0.91 0.00 0.51 0.00 0.00 43.02 41.83 2o3o s PHE 105 CO 0.02 0.07 1.68 0.00 0.70 0.00 0.00 175.22 177.69 2o3o h ALA 106 N 7.02 1.71 -3.41 5.36 0.00 -1.15 -3.36 119.26 125.43 2o3o h ALA 106 Ca -0.38 0.18 -0.37 0.00 0.00 0.00 0.00 54.91 54.33 2o3o h ALA 106 Cb 1.17 0.15 -0.36 0.00 0.00 0.00 0.00 17.79 18.75 2o3o h ALA 106 CO 0.75 -0.44 -0.75 -0.80 0.00 0.00 0.00 179.25 178.00 2o3o s ASN 107 N -5.05 0.82 0.68 0.00 0.01 -1.26 -5.08 114.94 105.06 2o3o s ASN 107 Ca -0.11 -0.03 -0.17 0.00 -0.71 0.00 0.00 52.86 51.84 2o3o s ASN 107 Cb 0.28 -0.27 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 2o3o s ASN 107 CO 0.79 -0.14 0.29 -2.65 -1.51 0.00 0.00 177.10 173.87 2o3o n PRO 108 N 4.53 0.25 -3.97 -0.60 -0.01 -1.26 -4.97 135.00 128.96 2o3o n PRO 108 Ca -0.19 0.11 -0.34 0.00 -0.01 0.00 0.00 63.50 63.07 2o3o n PRO 108 Cb 0.50 -1.58 -0.15 0.00 -0.01 0.00 0.00 33.50 32.27 2o3o n PRO 108 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 2o3o s ILE 109 N -1.91 2.90 -0.55 4.25 1.01 -0.83 -4.92 121.20 121.15 2o3o s ILE 109 Ca 0.62 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 2o3o s ILE 109 Cb -0.38 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2o3o s ILE 109 CO 0.61 0.38 1.45 0.00 0.00 0.00 0.00 174.94 177.38 2o3o s ALA 110 N 1.38 2.80 0.36 9.38 0.00 -1.26 -1.71 121.76 132.71 2o3o s ALA 110 Ca 0.04 -0.61 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 2o3o s ALA 110 Cb -0.15 -4.10 -0.10 0.00 0.00 0.00 0.00 23.12 18.77 2o3o s ALA 110 CO -0.06 -2.93 0.91 -0.51 0.00 0.00 0.00 175.76 173.17 2o3o s LEU 111 N 6.19 4.13 1.31 0.00 1.43 -0.36 -5.03 118.68 126.35 2o3o s LEU 111 Ca 0.55 1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 55.14 2o3o s LEU 111 Cb -0.11 -4.22 0.33 0.00 0.03 0.00 0.00 46.19 42.21 2o3o s LEU 111 CO 0.26 -0.20 0.98 -0.55 0.23 0.00 0.00 176.35 177.06 2o3o s SER 112 N -1.94 -0.18 -0.10 2.29 0.15 -1.26 -4.86 113.70 107.80 2o3o s SER 112 Ca 0.55 1.05 -0.10 0.00 0.70 0.00 0.00 55.95 58.16 2o3o s SER 112 Cb -0.13 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.59 2o3o s SER 112 CO 0.18 -4.85 -0.19 0.29 1.20 0.00 0.00 173.24 169.87 2o3o n LYS 113 N -5.31 0.30 0.11 5.44 5.02 -1.26 -4.21 118.16 118.25 2o3o n LYS 113 Ca 0.09 0.17 0.09 0.00 -2.02 0.00 0.00 58.31 56.64 2o3o n LYS 113 Cb 0.58 -1.08 0.01 0.00 -0.02 0.00 0.00 35.03 34.52 2o3o n LYS 113 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2o3o h LYS 114 N -0.58 0.00 -2.11 1.97 1.57 -2.07 -3.35 116.57 112.01 2o3o h LYS 114 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2o3o h LYS 114 Cb 0.53 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.44 2o3o h LYS 114 CO 0.00 0.07 -0.48 -3.47 -0.57 0.00 0.00 179.45 175.00 2o3o n ASP 115 N -2.80 4.85 0.11 0.86 2.03 -1.26 -4.84 116.55 115.51 2o3o n ASP 115 Ca -0.01 -3.70 -0.24 0.00 0.52 0.00 0.00 54.79 51.36 2o3o n ASP 115 Cb 0.61 -0.60 -0.15 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 2.81 1.14 -0.28 5.18 2.10 -1.73 -3.06 117.51 123.66 2o3o h ILE 116 Ca 0.21 -2.61 0.02 0.00 1.08 0.00 0.00 64.86 63.56 2o3o h ILE 116 Cb 0.57 2.93 -0.02 0.00 -1.09 0.00 0.00 36.82 39.20 2o3o h ILE 116 CO 0.87 0.83 0.14 -0.33 -1.08 0.00 0.00 178.15 178.57 2o3o h GLU 117 N 0.12 0.28 -0.58 2.19 5.08 -1.93 -0.49 114.58 119.24 2o3o h GLU 117 Ca -0.29 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 2o3o h GLU 117 Cb 2.13 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 2o3o h GLU 117 CO 0.23 0.19 0.02 -0.44 -1.00 0.00 0.00 179.01 178.01 2o3o h ASP 118 N 0.29 0.97 0.65 1.42 5.19 -1.97 -2.26 116.42 120.71 2o3o h ASP 118 Ca 0.12 -0.26 -0.12 0.00 -0.62 0.00 0.00 57.03 56.15 2o3o h ASP 118 Cb 0.04 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 2o3o h ASP 118 CO -0.09 1.02 -0.56 0.44 -3.12 0.00 0.00 179.24 176.93 2o3o h ASP 119 N 0.92 0.00 -0.22 6.45 5.19 -1.33 -1.66 116.42 125.78 2o3o h ASP 119 Ca 0.17 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.46 2o3o h ASP 119 Cb 0.51 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 2o3o h ASP 119 CO 0.02 0.56 -0.26 0.00 -3.12 0.00 0.00 179.24 176.44 2o3o h ALA 120 N 1.44 0.89 -0.21 3.45 0.00 -0.88 -2.83 119.26 121.13 2o3o h ALA 120 Ca -0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2o3o h ALA 120 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2o3o h ALA 120 CO 0.07 0.62 -0.27 1.96 0.00 0.00 0.00 179.25 181.64 2o3o h GLN 121 N 0.61 0.39 -0.25 0.00 4.20 -0.78 -1.19 115.11 118.09 2o3o h GLN 121 Ca 0.08 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 2o3o h GLN 121 Cb 0.76 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2o3o h GLN 121 CO 0.06 0.63 -0.26 0.00 -0.67 0.00 0.00 178.83 178.59 2o3o h ALA 122 N 1.38 1.08 -0.08 3.87 0.00 -1.25 -2.05 119.26 122.21 2o3o h ALA 122 Ca 0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2o3o h ALA 122 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2o3o h ALA 122 CO 0.05 0.57 -0.15 1.25 0.00 0.00 0.00 179.25 180.96 2o3o h LEU 123 N 0.43 0.27 -1.11 0.00 5.85 -1.22 -1.14 115.31 118.38 2o3o h LEU 123 Ca 0.06 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2o3o h LEU 123 Cb 0.69 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2o3o h LEU 123 CO 0.05 0.77 0.06 0.58 -0.34 0.00 0.00 178.44 179.57 2o3o h VAL 124 N -0.22 1.21 0.02 1.05 2.07 -1.20 -1.89 116.25 117.30 2o3o h VAL 124 Ca 0.00 -0.81 -0.25 0.00 0.82 0.00 0.00 66.70 66.46 2o3o h VAL 124 Cb 0.73 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2o3o h VAL 124 CO 0.03 0.29 -1.28 0.28 0.02 0.00 0.00 177.57 176.91 2o3o h SER 125 N 0.66 0.08 0.65 0.57 0.02 -1.35 -3.07 113.55 111.10 2o3o h SER 125 Ca 0.14 -0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 2o3o h SER 125 Cb 0.32 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 2o3o h SER 125 CO 0.01 1.08 -1.49 0.77 -1.14 0.00 0.00 176.83 176.05 2o3o h SER 126 N 0.01 0.00 0.00 3.07 4.64 -1.14 -3.42 113.55 116.72 2o3o h SER 126 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2o3o h SER 126 Cb 1.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 2o3o h SER 126 CO 0.12 0.80 -0.47 0.29 -0.87 0.00 0.00 176.83 176.70 2o3o n LYS 127 N -3.00 3.84 -4.44 4.77 5.02 -0.72 -5.02 118.16 118.61 2o3o n LYS 127 Ca -0.12 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 2o3o n LYS 127 Cb 0.94 -0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 35.10 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 -1.51 4.00 0.24 -0.18 1.01 -1.16 -4.96 121.20 118.65 2o3o s ILE 128 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 2o3o s ILE 128 Cb 0.01 -2.70 -0.12 0.00 0.01 0.00 0.00 42.46 39.65 2o3o s ILE 128 CO 0.04 0.52 1.58 1.67 0.00 0.00 0.00 174.94 178.75 2o3o n GLN 129 N 1.90 2.49 -2.09 2.79 7.27 -1.26 -2.04 117.38 126.43 2o3o n GLN 129 Ca -0.17 0.89 -0.19 0.00 0.07 0.00 0.00 57.00 57.61 2o3o n GLN 129 Cb 0.53 -2.66 -0.03 0.00 2.41 0.00 0.00 30.24 30.49 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 2.81 -5.20 0.27 1.69 10.43 -1.26 -4.86 116.55 120.43 2o3o n ASP 130 Ca 0.12 0.19 0.11 0.00 2.57 0.00 0.00 54.79 57.79 2o3o n ASP 130 Cb 0.34 -4.45 0.74 0.00 1.84 0.00 0.00 41.12 39.59 2o3o n ASP 130 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2o3o h GLY 131 N 0.00 0.00 2.00 0.44 0.00 -1.55 -0.79 103.07 103.17 2o3o h GLY 131 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2o3o h GLY 131 CO 0.53 0.00 -0.03 1.05 0.00 0.00 0.00 176.54 178.10 2o3o h GLU 132 N 0.00 0.00 0.00 4.80 9.09 -1.83 -2.65 114.58 123.99 2o3o h GLU 132 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2o3o h GLU 132 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 2o3o h GLU 132 CO 0.00 0.03 0.00 0.87 0.05 0.00 0.00 179.01 179.96 2o3o h LYS 133 N 0.00 0.00 -5.69 1.06 1.57 -1.52 -3.44 116.57 108.55 2o3o h LYS 133 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2o3o h LYS 133 Cb 0.62 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.86 2o3o h LYS 133 CO 0.00 0.00 -0.42 0.71 -0.57 0.00 0.00 179.45 179.17 2o3o s TYR 134 N -3.51 3.61 -0.07 -1.35 1.51 -1.00 -1.43 117.35 115.11 2o3o s TYR 134 Ca 0.03 0.61 0.05 0.00 -1.01 0.00 0.00 57.07 56.75 2o3o s TYR 134 Cb 0.08 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2o3o s TYR 134 CO 0.58 0.69 -0.24 0.21 -1.11 0.00 0.00 175.55 175.67 2o3o s LYS 135 N -0.93 2.69 0.23 -0.62 2.20 -0.45 -4.93 119.74 117.94 2o3o s LYS 135 Ca 0.16 -0.89 -0.32 0.00 -0.36 0.00 0.00 55.97 54.57 2o3o s LYS 135 Cb -0.13 -2.19 -0.14 0.00 -1.51 0.00 0.00 37.83 33.87 2o3o s LYS 135 CO 0.05 0.31 1.41 -0.11 -0.36 0.00 0.00 175.35 176.65 2o3o n LEU 136 N 3.15 3.02 -0.09 5.43 7.94 -1.26 -1.48 117.00 133.71 2o3o n LEU 136 Ca -0.18 1.14 -0.14 0.00 -1.11 0.00 0.00 56.01 55.71 2o3o n LEU 136 Cb 0.52 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.98 2o3o n LEU 136 CO 0.26 -0.51 -1.07 1.87 -1.11 0.00 0.00 177.39 176.83 2o3o n TRP 137 N 2.00 0.00 -3.64 1.96 -0.00 0.56 -4.81 117.44 113.50 2o3o n TRP 137 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.58 2o3o n TRP 137 Cb 0.31 -0.64 -0.07 0.00 -0.00 0.00 0.00 31.31 30.91 2o3o n TRP 137 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2o3o s LYS 138 N -2.33 0.44 -0.20 5.87 2.20 -1.10 -5.03 119.74 119.60 2o3o s LYS 138 Ca -0.23 0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 55.97 2o3o s LYS 138 Cb 0.07 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.46 2o3o s LYS 138 CO 0.36 -0.08 0.24 0.08 -0.36 0.00 0.00 175.35 175.59 2o3o s VAL 139 N 1.16 5.33 -0.41 4.02 1.01 -1.26 -1.05 120.40 129.20 2o3o s VAL 139 Ca -0.07 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2o3o s VAL 139 Cb -0.04 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.88 2o3o s VAL 139 CO -0.14 0.36 0.17 -0.62 0.00 0.00 0.00 175.10 174.88 2o3o s ASP 140 N 0.71 4.11 0.21 3.32 -1.08 -0.34 -4.99 116.67 118.61 2o3o s ASP 140 Ca 0.13 -2.41 -0.07 0.00 -0.52 0.00 0.00 52.55 49.67 2o3o s ASP 140 Cb -0.13 -1.26 0.15 0.00 -1.46 0.00 0.00 42.92 40.22 2o3o s ASP 140 CO 0.03 -0.31 1.68 0.11 0.52 0.00 0.00 175.17 177.20 2o3o h LYS 141 N 7.14 0.99 0.44 4.34 1.57 -1.97 -1.64 116.57 127.45 2o3o h LYS 141 Ca -0.06 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 2o3o h LYS 141 Cb 0.96 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2o3o h LYS 141 CO 0.54 0.98 -0.21 0.66 -0.57 0.00 0.00 179.45 180.84 2o3o h SER 142 N 0.91 -0.50 0.00 0.86 4.64 -1.94 -1.96 113.55 115.56 2o3o h SER 142 Ca 0.16 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2o3o h SER 142 Cb 0.54 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2o3o h SER 142 CO 0.03 -0.33 0.00 0.29 -0.87 0.00 0.00 176.83 175.95 2o3o n LYS 143 N -5.33 0.78 -3.85 4.77 5.02 -1.22 -4.91 118.16 113.41 2o3o n LYS 143 Ca -0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.86 2o3o n LYS 143 Cb 0.26 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.95 -1.77 -3.72 1.97 5.02 -0.74 -4.89 118.16 113.10 2o3o n LYS 144 Ca 0.17 0.37 -0.11 0.00 -2.02 0.00 0.00 58.31 56.71 2o3o n LYS 144 Cb 0.08 -4.00 -0.06 0.00 -0.02 0.00 0.00 35.03 31.02 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 -6.43 0.90 -0.14 1.97 -1.05 -0.68 -1.53 118.70 111.74 2o3o s GLU 145 Ca 0.31 -0.57 0.02 0.00 -0.15 0.00 0.00 54.97 54.58 2o3o s GLU 145 Cb -0.12 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2o3o s GLU 145 CO 0.89 -0.31 -0.20 0.42 0.95 0.00 0.00 175.26 177.01 2o3o s ILE 146 N -2.97 1.89 -0.13 1.83 1.01 -1.00 -1.20 121.20 120.63 2o3o s ILE 146 Ca -0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2o3o s ILE 146 Cb 0.00 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2o3o s ILE 146 CO -0.06 0.52 0.05 -0.63 0.00 0.00 0.00 174.94 174.81 2o3o s ILE 147 N 0.95 4.68 0.01 2.92 1.01 -0.21 -1.26 121.20 129.29 2o3o s ILE 147 Ca -0.05 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.59 2o3o s ILE 147 Cb -0.15 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2o3o s ILE 147 CO -0.03 0.56 -0.26 -0.36 0.00 0.00 0.00 174.94 174.84 2o3o s PHE 148 N -0.43 2.31 -0.13 3.97 0.40 0.34 -0.32 117.98 124.12 2o3o s PHE 148 Ca 0.09 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2o3o s PHE 148 Cb -0.12 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 2o3o s PHE 148 CO 0.02 0.03 -0.03 -0.06 0.70 0.00 0.00 175.22 175.88 2o3o s PHE 149 N -0.69 3.05 0.60 0.36 0.08 -0.55 -1.96 117.98 118.86 2o3o s PHE 149 Ca 0.11 -0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.84 2o3o s PHE 149 Cb -0.10 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 2o3o s PHE 149 CO 0.00 0.14 1.27 -1.14 -0.10 0.00 0.00 175.22 175.39 2o3o s GLN 150 N -0.08 2.89 0.36 0.44 0.74 -0.37 -1.34 119.66 122.31 2o3o s GLN 150 Ca 0.02 2.01 0.09 0.00 0.05 0.00 0.00 55.36 57.53 2o3o s GLN 150 Cb -0.13 -2.00 -0.07 0.00 1.10 0.00 0.00 33.01 31.91 2o3o s GLN 150 CO 0.02 -1.32 -0.06 0.95 -0.55 0.00 0.00 175.29 174.33 2o3o s THR 151 N -1.44 2.16 -0.08 -0.34 -4.23 -0.51 -1.61 115.64 109.59 2o3o s THR 151 Ca 0.77 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2o3o s THR 151 Cb -0.35 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 70.77 2o3o s THR 151 CO 0.39 -0.14 0.16 -0.47 -0.54 0.00 0.00 174.62 174.02 2o3o s TYR 152 N -2.64 -0.19 -1.61 3.99 5.04 0.65 -4.83 117.35 117.76 2o3o s TYR 152 Ca 0.33 0.58 -0.12 0.00 -2.44 0.00 0.00 57.07 55.43 2o3o s TYR 152 Cb 0.05 -0.17 0.10 0.00 0.35 0.00 0.00 41.96 42.30 2o3o s TYR 152 CO 0.17 -0.23 0.60 0.39 -1.34 0.00 0.00 175.55 175.14 2o3o n GLU 153 N 4.82 -2.89 -1.88 4.97 1.02 -1.26 -0.83 120.64 124.60 2o3o n GLU 153 Ca -0.15 0.35 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 2o3o n GLU 153 Cb 0.51 -4.78 -0.03 0.00 -0.02 0.00 0.00 31.44 27.12 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 -1.66 0.51 3.28 0.62 0.00 -1.26 -5.02 105.19 101.66 2o3o n GLY 154 Ca -0.07 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 2o3o n GLY 154 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o3o s HIS 155 N -2.59 1.73 0.45 1.61 3.76 -0.01 -5.10 115.29 115.14 2o3o s HIS 155 Ca 0.00 -0.43 -0.24 0.00 -0.15 0.00 0.00 55.06 54.23 2o3o s HIS 155 Cb 0.00 -0.94 -0.08 0.00 1.11 0.00 0.00 32.58 32.68 2o3o s HIS 155 CO 0.00 0.21 1.28 0.71 -0.85 0.00 0.00 174.74 176.09 2o3o s TYR 156 N -1.32 2.72 -0.68 1.40 1.51 -1.26 -0.25 117.35 119.46 2o3o s TYR 156 Ca 0.07 1.43 -0.18 0.00 -1.01 0.00 0.00 57.07 57.38 2o3o s TYR 156 Cb -0.09 -3.62 0.13 0.00 -0.11 0.00 0.00 41.96 38.26 2o3o s TYR 156 CO 0.04 -2.11 0.77 0.42 -1.11 0.00 0.00 175.55 173.56 2o3o s ILE 157 N -1.35 4.95 0.09 2.71 1.01 -0.63 -1.44 121.20 126.55 2o3o s ILE 157 Ca 0.62 -1.34 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 2o3o s ILE 157 Cb -0.36 -4.53 -0.07 0.00 0.01 0.00 0.00 42.46 37.52 2o3o s ILE 157 CO 0.45 -1.16 1.26 -0.31 0.00 0.00 0.00 174.94 175.18 2o3o s TYR 158 N 2.24 3.37 0.24 3.97 1.51 0.29 -4.68 117.35 124.29 2o3o s TYR 158 Ca 0.15 1.21 -0.14 0.00 -1.01 0.00 0.00 57.07 57.28 2o3o s TYR 158 Cb -0.19 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.15 2o3o s TYR 158 CO 0.01 -1.62 0.50 1.14 -1.11 0.00 0.00 175.55 174.47 2o3o s GLN 159 N 0.89 1.53 0.47 -0.62 -2.07 -1.26 -4.33 119.66 114.28 2o3o s GLN 159 Ca 0.60 -1.17 -0.20 0.00 -1.82 0.00 0.00 55.36 52.77 2o3o s GLN 159 Cb -0.32 0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 31.99 2o3o s GLN 159 CO 0.31 -0.64 1.01 0.15 -1.32 0.00 0.00 175.29 174.80 2o3o s LYS 160 N -3.99 3.92 -0.30 9.60 1.02 -1.26 -4.97 119.74 123.77 2o3o s LYS 160 Ca 0.19 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.54 2o3o s LYS 160 Cb -0.01 -2.12 0.49 0.00 -0.52 0.00 0.00 37.83 35.67 2o3o s LYS 160 CO 0.07 -0.32 1.42 0.25 -0.92 0.00 0.00 175.35 175.85 2o3o n THR 161 N -0.91 2.55 0.00 2.17 -2.24 -1.26 -4.77 114.28 109.82 2o3o n THR 161 Ca 0.09 -3.01 0.00 0.00 -2.27 0.00 0.00 64.05 58.85 2o3o n THR 161 Cb 0.53 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.08 0.00 -4.90 3.42 9.92 -1.26 -5.09 116.55 117.56 2o3o n ASP 162 Ca 0.33 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.39 2o3o n ASP 162 Cb 0.96 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.42 2o3o n ASP 162 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2o3o s ASN 163 N -1.00 5.59 0.28 -2.24 6.03 -1.26 -5.03 114.94 117.31 2o3o s ASN 163 Ca 0.00 -0.35 -0.02 0.00 -1.03 0.00 0.00 52.86 51.47 2o3o s ASN 163 Cb 0.00 -1.13 0.38 0.00 -3.03 0.00 0.00 41.25 37.48 2o3o s ASN 163 CO 0.00 -0.35 1.82 -0.65 -2.03 0.00 0.00 177.10 175.89 2o3o h PRO 164 N 1.13 0.85 -0.99 3.55 0.11 -1.98 -3.01 132.00 131.65 2o3o h PRO 164 Ca -0.46 -0.17 0.25 0.00 0.11 0.00 0.00 66.00 65.74 2o3o h PRO 164 Cb 1.25 -0.13 -0.19 0.00 0.11 0.00 0.00 31.00 32.05 2o3o h PRO 164 CO 0.57 0.76 -0.04 0.43 -0.21 0.00 0.00 178.00 179.50 2o3o n SER 165 N -4.27 -0.17 -4.46 -2.05 7.64 -1.26 -4.54 113.62 104.50 2o3o n SER 165 Ca 0.04 1.69 -0.44 0.00 1.01 0.00 0.00 58.87 61.17 2o3o n SER 165 Cb 0.23 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 62.83 2o3o n SER 165 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2o3o s ASN 166 N -5.07 6.90 0.00 6.43 0.01 -1.14 -5.13 114.94 116.94 2o3o s ASN 166 Ca -0.13 -2.62 0.00 0.00 -0.71 0.00 0.00 52.86 49.40 2o3o s ASN 166 Cb 0.29 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.54 2o3o s ASN 166 CO 0.77 -0.88 0.00 2.30 -1.51 0.00 0.00 177.10 177.78 2o3o n ILE 168 N 5.00 0.00 -3.14 0.60 -5.35 -1.26 -4.21 119.36 111.00 2o3o n ILE 168 Ca 0.32 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.65 2o3o n ILE 168 Cb 0.45 0.00 -0.05 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 -0.06 0.12 3.28 0.00 -1.26 -4.01 107.32 105.39 2o3o s GLY 169 Ca 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 2o3o s GLY 169 CO 0.00 2.88 0.17 1.20 0.00 0.00 0.00 173.10 177.36 2o3o s GLN 170 N 0.69 0.96 -0.08 2.90 -0.21 -0.90 -1.24 119.66 121.77 2o3o s GLN 170 Ca 0.28 -1.18 -0.00 0.00 0.02 0.00 0.00 55.36 54.48 2o3o s GLN 170 Cb -0.02 0.32 0.02 0.00 1.00 0.00 0.00 33.01 34.34 2o3o s GLN 170 CO -0.10 -0.31 -0.05 0.08 -2.12 0.00 0.00 175.29 172.79 2o3o s VAL 171 N -3.95 0.73 -0.21 1.09 1.01 -0.83 -1.05 120.40 117.20 2o3o s VAL 171 Ca 0.14 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2o3o s VAL 171 Cb 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.68 2o3o s VAL 171 CO -0.04 0.31 -0.17 -0.69 0.00 0.00 0.00 175.10 174.51 2o3o s VAL 172 N 1.59 2.10 0.23 2.92 1.01 -0.46 -0.50 120.40 127.28 2o3o s VAL 172 Ca 0.01 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 2o3o s VAL 172 Cb -0.13 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.17 2o3o s VAL 172 CO -0.05 0.36 0.78 -0.76 0.00 0.00 0.00 175.10 175.43 2o3o s LEU 173 N 1.23 4.40 -0.06 3.92 1.43 -0.39 -1.43 118.68 127.78 2o3o s LEU 173 Ca 0.01 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 2o3o s LEU 173 Cb -0.15 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2o3o s LEU 173 CO -0.10 0.05 -0.13 -1.00 0.23 0.00 0.00 176.35 175.40 2o3o s HIS 174 N -1.45 2.75 -0.06 0.29 3.76 -0.09 -2.38 115.29 118.11 2o3o s HIS 174 Ca 0.43 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 2o3o s HIS 174 Cb -0.19 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 31.84 2o3o s HIS 174 CO 0.23 0.16 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.62 2o3o s LEU 175 N -0.61 1.79 -0.00 0.89 1.43 -0.59 -0.88 118.68 120.71 2o3o s LEU 175 Ca 0.09 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 2o3o s LEU 175 Cb -0.11 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 2o3o s LEU 175 CO 0.01 0.09 -0.24 0.21 0.23 0.00 0.00 176.35 176.65 2o3o s ASN 176 N 0.42 3.28 0.20 2.29 2.47 -1.14 -4.83 114.94 117.63 2o3o s ASN 176 Ca -0.12 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 52.70 2o3o s ASN 176 Cb -0.15 -0.42 0.00 0.00 -1.45 0.00 0.00 41.25 39.23 2o3o s ASN 176 CO 0.04 0.30 0.00 0.61 -3.72 0.00 0.00 177.10 174.33 2o3o n GLY 177 N 2.18 -0.12 3.55 1.21 0.00 -1.26 -3.74 105.19 107.01 2o3o n GLY 177 Ca -0.16 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 2o3o n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o3o s LYS 178 N 0.00 2.84 -1.35 1.61 1.02 -1.26 -4.58 119.74 118.01 2o3o s LYS 178 Ca 0.00 0.29 -0.09 0.00 0.02 0.00 0.00 55.97 56.18 2o3o s LYS 178 Cb 0.00 -4.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.01 2o3o s LYS 178 CO 0.00 -2.52 0.18 0.09 -0.92 0.00 0.00 175.35 172.18 2o3o n ASN 179 N 11.50 -0.43 -4.46 2.83 3.02 -1.26 -4.86 115.26 121.59 2o3o n ASN 179 Ca 0.14 -1.20 -0.33 0.00 -0.03 0.00 0.00 54.58 53.16 2o3o n ASN 179 Cb 0.51 -1.47 -0.13 0.00 -0.61 0.00 0.00 39.78 38.08 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 -7.15 3.55 -0.19 3.52 2.02 -1.25 -1.23 118.70 117.98 2o3o s GLU 180 Ca 0.13 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 2o3o s GLU 180 Cb -0.07 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2o3o s GLU 180 CO 0.92 0.25 1.00 0.08 0.02 0.00 0.00 175.26 177.54 2o3o s VAL 181 N 0.30 4.74 -0.09 2.63 1.01 -0.70 -2.88 120.40 125.41 2o3o s VAL 181 Ca -0.06 1.97 0.10 0.00 0.00 0.00 0.00 61.98 64.00 2o3o s VAL 181 Cb -0.15 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 2o3o s VAL 181 CO 0.04 -0.11 0.08 0.52 0.00 0.00 0.00 175.10 175.63 2o3o n VAL 182 N 5.06 0.62 -4.04 2.92 0.31 -0.06 -1.96 118.33 121.17 2o3o n VAL 182 Ca 0.10 -0.43 -0.11 0.00 -0.01 0.00 0.00 64.34 63.89 2o3o n VAL 182 Cb 0.47 -0.54 -0.05 0.00 -0.91 0.00 0.00 33.84 32.80 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 -4.17 0.23 0.07 4.52 1.04 -1.22 -1.40 113.70 112.77 2o3o s SER 183 Ca -0.05 -1.16 -0.13 0.00 0.48 0.00 0.00 55.95 55.09 2o3o s SER 183 Cb 0.04 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2o3o s SER 183 CO 0.46 -1.17 0.29 -0.72 0.98 0.00 0.00 173.24 173.08 2o3o s TYR 184 N -3.70 -0.05 0.09 5.02 -0.85 -1.26 -0.91 117.35 115.68 2o3o s TYR 184 Ca 0.27 -0.19 0.04 0.00 -0.52 0.00 0.00 57.07 56.67 2o3o s TYR 184 Cb 0.00 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 2o3o s TYR 184 CO 0.13 -0.55 0.02 -0.51 -1.52 0.00 0.00 175.55 173.12 2o3o s ASP 185 N -2.39 5.16 -0.08 -0.18 1.01 -0.52 -4.15 116.67 115.53 2o3o s ASP 185 Ca -0.01 -0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.06 2o3o s ASP 185 Cb 0.01 -1.28 0.02 0.00 1.01 0.00 0.00 42.92 42.69 2o3o s ASP 185 CO -0.07 0.17 0.20 -1.58 0.21 0.00 0.00 175.17 174.10 2o3o s GLN 186 N -2.33 0.21 0.04 8.23 0.74 -0.28 -1.35 119.66 124.92 2o3o s GLN 186 Ca 0.27 0.32 0.03 0.00 0.05 0.00 0.00 55.36 56.02 2o3o s GLN 186 Cb -0.12 0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 2o3o s GLN 186 CO 0.19 -0.06 -0.09 0.95 -0.55 0.00 0.00 175.29 175.74 2o3o s THR 187 N 0.36 0.65 0.00 -0.34 -4.23 -0.21 -1.22 115.64 110.65 2o3o s THR 187 Ca -0.02 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2o3o s THR 187 Cb -0.04 -0.66 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 2o3o s THR 187 CO -0.02 -0.24 -0.01 -0.89 -0.54 0.00 0.00 174.62 172.92 2o3o s THR 188 N -1.10 0.10 0.09 3.99 2.01 -1.26 -2.12 115.64 117.36 2o3o s THR 188 Ca -0.06 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2o3o s THR 188 Cb -0.08 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 2o3o s THR 188 CO 0.01 0.00 0.31 -0.76 -0.69 0.00 0.00 174.62 173.49 2o3o s LEU 189 N -0.10 4.31 0.19 4.42 1.43 -1.26 -0.31 118.68 127.37 2o3o s LEU 189 Ca -0.00 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2o3o s LEU 189 Cb -0.01 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2o3o s LEU 189 CO -0.00 0.13 0.11 -1.83 0.23 0.00 0.00 176.35 174.99 2o3o s GLU 190 N -2.40 1.17 -0.98 1.70 -1.05 -0.68 -4.83 118.70 111.63 2o3o s GLU 190 Ca 0.36 -1.61 -0.11 0.00 -0.15 0.00 0.00 54.97 53.46 2o3o s GLU 190 Cb -0.13 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 2o3o s GLU 190 CO 0.23 -0.36 0.75 2.41 0.95 0.00 0.00 175.26 179.24 2o3o n THR 191 N -0.26 -6.65 -2.36 1.83 -1.04 -1.26 -0.84 114.28 103.69 2o3o n THR 191 Ca 0.01 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.05 60.95 2o3o n THR 191 Cb 0.66 -4.85 -0.04 0.00 -1.82 0.00 0.00 70.33 64.28 2o3o n THR 191 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2o3o s PHE 192 N -3.26 3.42 -0.01 -1.42 0.40 -1.26 -4.09 117.98 111.76 2o3o s PHE 192 Ca 0.28 1.55 0.01 0.00 -0.60 0.00 0.00 56.93 58.17 2o3o s PHE 192 Cb -0.09 -3.42 0.01 0.00 0.51 0.00 0.00 43.02 40.03 2o3o s PHE 192 CO 0.83 -1.04 -0.02 0.15 0.70 0.00 0.00 175.22 175.85 2o3o s LYS 193 N -1.16 0.26 -0.26 0.44 1.02 -0.23 -4.98 119.74 114.83 2o3o s LYS 193 Ca 0.48 -0.05 -0.21 0.00 0.02 0.00 0.00 55.97 56.21 2o3o s LYS 193 Cb -0.34 -0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 36.65 2o3o s LYS 193 CO 0.42 -0.00 0.68 -0.65 -0.92 0.00 0.00 175.35 174.89 2o3o s GLN 194 N 0.28 4.11 -0.03 1.68 -0.21 -1.26 -1.44 119.66 122.78 2o3o s GLN 194 Ca -0.03 0.63 0.12 0.00 0.02 0.00 0.00 55.36 56.11 2o3o s GLN 194 Cb -0.05 -3.66 -0.19 0.00 1.00 0.00 0.00 33.01 30.11 2o3o s GLN 194 CO -0.01 -0.46 0.24 0.44 -2.12 0.00 0.00 175.29 173.38 2o3o n ILE 195 N 5.24 0.14 -3.31 1.08 -5.35 -0.42 -4.93 119.36 111.80 2o3o n ILE 195 Ca 0.01 -0.33 -0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2o3o n ILE 195 Cb 0.49 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.41 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 -2.78 0.51 0.04 6.28 0.74 -1.20 -5.00 119.66 118.25 2o3o s GLN 196 Ca -0.05 1.00 -0.30 0.00 0.05 0.00 0.00 55.36 56.06 2o3o s GLN 196 Cb 0.07 0.40 -0.06 0.00 1.10 0.00 0.00 33.01 34.53 2o3o s GLN 196 CO 0.52 -0.52 1.32 0.21 -0.55 0.00 0.00 175.29 176.27 2o3o s LYS 197 N 2.79 4.34 0.12 1.67 2.20 -1.26 -2.14 119.74 127.45 2o3o s LYS 197 Ca 0.13 1.91 -0.07 0.00 -0.36 0.00 0.00 55.97 57.58 2o3o s LYS 197 Cb -0.14 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 2o3o s LYS 197 CO -0.19 -0.45 0.17 -1.21 -0.36 0.00 0.00 175.35 173.32 2o3o s GLU 198 N 1.72 0.93 -0.06 4.03 2.02 -0.89 -5.00 118.70 121.45 2o3o s GLU 198 Ca 0.62 -1.14 -0.26 0.00 0.02 0.00 0.00 54.97 54.20 2o3o s GLU 198 Cb -0.31 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.21 2o3o s GLU 198 CO 0.28 -0.30 0.83 0.45 0.02 0.00 0.00 175.26 176.54 2o3o s SER 199 N -2.93 7.13 0.61 -0.19 0.15 -1.26 -1.09 113.70 116.11 2o3o s SER 199 Ca 0.12 1.36 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 2o3o s SER 199 Cb 0.05 -2.48 0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2o3o s SER 199 CO -0.05 -0.22 0.88 -0.76 1.20 0.00 0.00 173.24 174.29 2o3o s LEU 200 N 1.12 3.09 0.31 3.45 1.43 0.13 -2.43 118.68 125.78 2o3o s LEU 200 Ca 0.43 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2o3o s LEU 200 Cb -0.19 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2o3o s LEU 200 CO 0.21 -1.31 0.48 0.27 0.23 0.00 0.00 176.35 176.23 2o3o s ILE 201 N -2.97 5.11 0.65 -0.59 -4.36 0.51 -4.25 121.20 115.30 2o3o s ILE 201 Ca 0.58 -0.66 -0.12 0.00 -0.26 0.00 0.00 60.65 60.19 2o3o s ILE 201 Cb -0.10 -3.84 -0.02 0.00 1.25 0.00 0.00 42.46 39.74 2o3o s ILE 201 CO 0.41 -0.47 1.04 0.42 0.24 0.00 0.00 174.94 176.59 2o3o s THR 202 N -2.20 4.25 -0.46 8.37 -4.23 -1.26 -4.80 115.64 115.31 2o3o s THR 202 Ca 0.38 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 2o3o s THR 202 Cb -0.09 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2o3o s THR 202 CO 0.33 -0.89 0.00 -0.62 -0.54 0.00 0.00 174.62 172.90 2o3o n GLU 203 N -2.76 0.00 0.00 3.99 1.02 -1.18 -1.27 120.64 120.44 2o3o n GLU 203 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2o3o n GLU 203 Cb 0.54 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 2o3o n GLU 203 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2o3o n ASP 205 N 0.56 0.00 -0.09 1.62 10.43 -1.26 -2.37 116.55 125.44 2o3o n ASP 205 Ca 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.30 2o3o n ASP 205 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 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 0.06 -0.32 2.24 0.00 -1.52 0.84 119.26 120.56 2o3o h ALA 206 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2o3o h ALA 206 Cb 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2o3o h ALA 206 CO 0.00 -0.57 -0.01 0.28 0.00 0.00 0.00 179.25 178.95 2o3o h VAL 207 N -0.14 1.26 -0.75 0.00 2.07 -1.76 -1.34 116.25 115.60 2o3o h VAL 207 Ca 0.17 -0.97 0.12 0.00 0.82 0.00 0.00 66.70 66.85 2o3o h VAL 207 Cb 0.40 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2o3o h VAL 207 CO -0.42 0.32 0.49 -0.33 0.02 0.00 0.00 177.57 177.65 2o3o h GLU 208 N 0.37 0.52 -0.19 1.57 5.08 -1.74 -0.98 114.58 119.22 2o3o h GLU 208 Ca 0.09 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2o3o h GLU 208 Cb 0.45 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2o3o h GLU 208 CO 0.02 0.35 -0.12 1.25 -1.00 0.00 0.00 179.01 179.50 2o3o h LEU 209 N 0.54 0.43 -0.33 1.33 5.85 0.22 0.33 115.31 123.67 2o3o h LEU 209 Ca 0.36 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.72 2o3o h LEU 209 Cb 0.65 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 2o3o h LEU 209 CO -0.13 0.77 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.49 2o3o h LEU 210 N 0.08 -0.61 0.07 2.25 3.38 -0.57 -0.44 115.31 119.47 2o3o h LEU 210 Ca 0.04 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2o3o h LEU 210 Cb 0.62 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2o3o h LEU 210 CO 0.03 -0.22 -0.03 0.22 0.09 0.00 0.00 178.44 178.54 2o3o h TYR 211 N -0.13 -0.08 -1.01 1.13 3.20 -1.04 -2.38 116.97 116.66 2o3o h TYR 211 Ca 0.17 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.26 2o3o h TYR 211 Cb 0.39 0.03 -0.11 0.00 1.54 0.00 0.00 36.73 38.58 2o3o h TYR 211 CO -0.39 -0.01 0.61 -0.92 -1.64 0.00 0.00 178.16 175.80 2o3o h TYR 212 N -0.13 1.01 -0.23 -3.82 3.20 0.10 0.29 116.97 117.39 2o3o h TYR 212 Ca -0.01 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2o3o h TYR 212 Cb 0.10 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 2o3o h TYR 212 CO -0.06 0.14 0.09 1.04 -1.64 0.00 0.00 178.16 177.73 2o3o n GLN 213 N -4.81 1.80 -2.58 1.82 6.02 -0.21 -4.89 117.38 114.52 2o3o n GLN 213 Ca 0.25 -0.92 -0.19 0.00 -0.01 0.00 0.00 57.00 56.14 2o3o n GLN 213 Cb 0.68 -1.55 -0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 0.10 -5.29 -0.01 1.08 2.85 0.10 -4.86 115.26 109.24 2o3o n ASN 214 Ca 0.13 -0.03 0.11 0.00 -0.11 0.00 0.00 54.58 54.67 2o3o n ASN 214 Cb 0.68 -4.39 0.03 0.00 1.24 0.00 0.00 39.78 37.33 2o3o n ASN 214 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2o3o n GLN 215 N -3.18 0.02 -4.36 1.20 1.13 -0.93 -4.94 117.38 106.30 2o3o n GLN 215 Ca -0.18 -0.01 -0.35 0.00 -1.94 0.00 0.00 57.00 54.52 2o3o n GLN 215 Cb 0.65 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.40 2o3o n GLN 215 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2o3o s LEU 216 N -2.99 3.53 0.39 1.08 1.43 -1.26 -4.99 118.68 115.87 2o3o s LEU 216 Ca 0.09 0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2o3o s LEU 216 Cb 0.17 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 2o3o s LEU 216 CO 0.80 0.33 0.72 -0.54 0.23 0.00 0.00 176.35 177.89 2o3o s LYS 217 N -0.59 3.69 0.64 1.70 1.02 -1.26 -5.03 119.74 119.91 2o3o s LYS 217 Ca 0.10 0.29 -0.18 0.00 0.02 0.00 0.00 55.97 56.20 2o3o s LYS 217 Cb -0.12 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2o3o s LYS 217 CO 0.02 -0.01 1.24 -1.21 -0.92 0.00 0.00 175.35 174.47 2o3o s GLU 218 N -3.97 2.64 -1.48 1.68 2.02 -1.26 -3.18 118.70 115.15 2o3o s GLU 218 Ca 0.48 1.89 -0.07 0.00 0.02 0.00 0.00 54.97 57.30 2o3o s GLU 218 Cb -0.10 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.27 2o3o s GLU 218 CO 0.34 -1.48 0.83 0.66 0.02 0.00 0.00 175.26 175.63 2o3o n TYR 219 N -1.96 -2.31 -4.15 1.61 4.02 -0.88 -4.96 117.16 108.53 2o3o n TYR 219 Ca 0.14 0.72 -0.22 0.00 -0.01 0.00 0.00 57.90 58.53 2o3o n TYR 219 Cb 0.49 -4.56 -0.05 0.00 -0.02 0.00 0.00 39.34 35.20 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 -2.96 5.18 -0.07 7.72 1.04 -1.19 -4.62 113.70 118.80 2o3o s SER 220 Ca 0.44 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.49 2o3o s SER 220 Cb -0.20 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2o3o s SER 220 CO 0.54 -0.06 -0.19 -0.89 0.98 0.00 0.00 173.24 173.61 2o3o s THR 221 N -2.22 1.67 -0.51 2.02 2.01 0.68 -2.04 115.64 117.26 2o3o s THR 221 Ca 0.33 -0.82 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 2o3o s THR 221 Cb -0.07 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 71.02 2o3o s THR 221 CO 0.23 0.47 0.86 -0.69 -0.69 0.00 0.00 174.62 174.81 2o3o s VAL 222 N 0.29 4.52 0.14 3.82 1.01 -0.15 -0.48 120.40 129.55 2o3o s VAL 222 Ca -0.12 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2o3o s VAL 222 Cb -0.15 -4.44 -0.18 0.00 0.00 0.00 0.00 36.38 31.60 2o3o s VAL 222 CO 0.05 -0.95 1.32 0.11 0.00 0.00 0.00 175.10 175.64 2o3o h LYS 223 N 9.16 0.16 -2.21 2.72 1.79 -1.07 -3.41 116.57 123.71 2o3o h LYS 223 Ca -0.26 -0.20 0.16 0.00 -2.18 0.00 0.00 60.65 58.17 2o3o h LYS 223 Cb 1.08 0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 31.67 2o3o h LYS 223 CO 1.03 1.00 0.53 -1.54 -1.08 0.00 0.00 179.45 179.39 2o3o s SER 224 N -6.92 -0.25 -0.31 0.86 1.04 -1.18 -4.98 113.70 101.96 2o3o s SER 224 Ca -0.02 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 2o3o s SER 224 Cb 0.10 0.40 0.13 0.00 0.10 0.00 0.00 66.02 66.75 2o3o s SER 224 CO 0.83 -0.70 0.25 0.00 0.98 0.00 0.00 173.24 174.60 2o3o s LYS 226 N 1.92 2.74 0.11 0.00 -0.14 -0.15 -4.89 119.74 119.34 2o3o s LYS 226 Ca 0.12 -0.64 -0.08 0.00 -1.36 0.00 0.00 55.97 54.01 2o3o s LYS 226 Cb -0.16 -2.64 -0.06 0.00 -1.68 0.00 0.00 37.83 33.29 2o3o s LYS 226 CO -0.24 0.62 0.39 0.12 -0.76 0.00 0.00 175.35 175.48 2o3o s PHE 227 N -1.09 3.53 0.00 3.18 5.36 -1.26 -0.12 117.98 127.58 2o3o s PHE 227 Ca 0.20 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 2o3o s PHE 227 Cb -0.11 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2o3o s PHE 227 CO 0.10 0.47 0.00 0.41 -1.46 0.00 0.00 175.22 174.75 2o3o n GLY 228 N 0.54 1.05 3.13 13.12 0.00 -0.97 -4.37 105.19 117.67 2o3o n GLY 228 Ca -0.05 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.47 1.02 0.12 1.61 1.51 -0.52 -0.52 117.35 118.10 2o3o s TYR 229 Ca 0.00 -0.45 0.07 0.00 -1.01 0.00 0.00 57.07 55.69 2o3o s TYR 229 Cb 0.00 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 2o3o s TYR 229 CO 0.00 0.01 -0.18 0.14 -1.11 0.00 0.00 175.55 174.41 2o3o s VAL 230 N -1.21 1.58 0.03 0.71 -7.23 -0.90 0.11 120.40 113.48 2o3o s VAL 230 Ca -0.04 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 2o3o s VAL 230 Cb -0.09 -1.55 -0.06 0.00 0.56 0.00 0.00 36.38 35.24 2o3o s VAL 230 CO 0.01 -0.22 1.33 0.00 -0.31 0.00 0.00 175.10 175.91 2o3o s ALA 231 N -1.60 3.53 -0.06 1.32 0.00 -1.26 -2.00 121.76 121.70 2o3o s ALA 231 Ca 0.08 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 2o3o s ALA 231 Cb -0.08 -3.54 -0.30 0.00 0.00 0.00 0.00 23.12 19.20 2o3o s ALA 231 CO 0.04 -0.74 0.71 0.37 0.00 0.00 0.00 175.76 176.14 2o3o h GLN 232 N 7.37 0.34 -1.65 0.00 4.15 -0.66 -3.47 115.11 121.18 2o3o h GLN 232 Ca -0.39 -0.58 0.27 0.00 0.77 0.00 0.00 58.65 58.73 2o3o h GLN 232 Cb 1.19 0.21 -0.13 0.00 0.21 0.00 0.00 27.48 28.96 2o3o h GLN 232 CO 0.87 1.28 0.75 1.52 -1.93 0.00 0.00 178.83 181.32 2o3o s TYR 233 N -2.51 -0.10 0.54 3.99 -0.85 -1.23 -5.05 117.35 112.14 2o3o s TYR 233 Ca -0.16 -0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2o3o s TYR 233 Cb 0.04 0.55 0.03 0.00 0.38 0.00 0.00 41.96 42.96 2o3o s TYR 233 CO 0.83 -0.37 0.77 -1.25 -1.52 0.00 0.00 175.55 174.01 2o3o s PRO 234 N -2.61 2.66 -0.41 -3.49 0.04 -1.26 -2.29 135.00 127.63 2o3o s PRO 234 Ca 0.12 -0.64 0.09 0.00 0.04 0.00 0.00 61.00 60.61 2o3o s PRO 234 Cb 0.02 -2.47 0.34 0.00 0.04 0.00 0.00 34.50 32.43 2o3o s PRO 234 CO -0.03 -0.64 0.91 1.28 0.04 0.00 0.00 177.00 178.56 2o3o n LEU 235 N -2.33 -0.65 0.00 -3.56 4.77 0.04 -4.90 117.00 110.37 2o3o n LEU 235 Ca 0.06 -4.39 0.00 0.00 -0.03 0.00 0.00 56.01 51.65 2o3o n LEU 235 Cb 0.59 0.82 0.00 0.00 -2.33 0.00 0.00 43.42 42.50 2o3o n LEU 235 CO 0.46 2.19 0.00 0.41 -1.33 0.00 0.00 177.39 179.12 2o3o n THR 236 N 0.31 0.00 0.67 -5.08 -1.04 -1.26 -2.60 114.28 105.28 2o3o n THR 236 Ca 0.16 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.29 2o3o n THR 236 Cb 0.68 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 69.66 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 9.50 0.37 -4.70 8.00 2.88 -1.26 -4.77 113.62 123.64 2o3o n SER 237 Ca 0.00 0.55 -0.30 0.00 -1.33 0.00 0.00 58.87 57.79 2o3o n SER 237 Cb 0.00 -0.65 -0.08 0.00 -0.75 0.00 0.00 64.21 62.74 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 -3.09 4.10 0.05 2.46 2.01 -1.07 -2.72 115.64 117.38 2o3o s THR 238 Ca 0.10 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.25 2o3o s THR 238 Cb 0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 2o3o s THR 238 CO 0.47 0.14 -0.22 -1.10 -0.69 0.00 0.00 174.62 173.22 2o3o s GLN 239 N -2.27 1.93 -0.22 4.92 -1.52 0.05 -0.78 119.66 121.77 2o3o s GLN 239 Ca 0.26 -1.05 -0.05 0.00 -1.95 0.00 0.00 55.36 52.57 2o3o s GLN 239 Cb -0.12 -2.09 -0.02 0.00 -0.22 0.00 0.00 33.01 30.57 2o3o s GLN 239 CO 0.18 0.52 -0.02 0.08 -0.25 0.00 0.00 175.29 175.81 2o3o s VAL 240 N -0.88 3.67 -0.14 1.09 1.01 -0.97 -1.85 120.40 122.32 2o3o s VAL 240 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2o3o s VAL 240 Cb -0.10 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2o3o s VAL 240 CO 0.04 0.41 -0.08 -0.76 0.00 0.00 0.00 175.10 174.71 2o3o s LEU 241 N 1.35 3.01 0.02 3.92 1.43 0.15 0.14 118.68 128.70 2o3o s LEU 241 Ca 0.04 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2o3o s LEU 241 Cb -0.14 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2o3o s LEU 241 CO -0.01 0.17 0.02 0.00 0.23 0.00 0.00 176.35 176.77 2o3o s ALA 242 N 0.31 3.34 0.54 4.21 0.00 -0.85 -1.43 121.76 127.89 2o3o s ALA 242 Ca -0.07 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 2o3o s ALA 242 Cb -0.15 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.55 2o3o s ALA 242 CO 0.04 0.67 1.12 -1.25 0.00 0.00 0.00 175.76 176.33 2o3o s PRO 243 N -1.74 3.39 0.11 0.00 0.04 -1.26 -2.11 135.00 133.43 2o3o s PRO 243 Ca 0.21 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 2o3o s PRO 243 Cb -0.12 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2o3o s PRO 243 CO 0.13 -0.81 0.07 0.14 0.04 0.00 0.00 177.00 176.56 2o3o s VAL 244 N -1.83 0.13 -0.18 -0.36 -7.23 0.32 -2.01 120.40 109.24 2o3o s VAL 244 Ca 0.72 -1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2o3o s VAL 244 Cb -0.23 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 2o3o s VAL 244 CO 0.27 -0.59 -0.04 0.26 -0.31 0.00 0.00 175.10 174.69 2o3o s TRP 245 N -4.00 2.99 -0.30 2.82 0.52 0.20 -2.30 118.94 118.86 2o3o s TRP 245 Ca 0.18 -0.50 -0.09 0.00 0.02 0.00 0.00 56.10 55.71 2o3o s TRP 245 Cb 0.07 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 2o3o s TRP 245 CO -0.02 -0.21 0.14 0.50 0.02 0.00 0.00 176.95 177.38 2o3o s ARG 246 N 0.76 3.35 -0.16 4.98 3.52 0.83 -0.83 118.95 131.39 2o3o s ARG 246 Ca -0.01 -0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 54.85 2o3o s ARG 246 Cb -0.14 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2o3o s ARG 246 CO 0.02 -0.39 -0.04 0.42 -0.81 0.00 0.00 175.30 174.49 2o3o s ILE 247 N 1.61 3.81 -0.17 4.11 1.01 0.34 -0.98 121.20 130.92 2o3o s ILE 247 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 2o3o s ILE 247 Cb -0.17 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2o3o s ILE 247 CO 0.06 0.49 0.02 -0.89 0.00 0.00 0.00 174.94 174.61 2o3o s THR 248 N 0.46 4.38 0.05 2.92 2.01 -0.92 -0.63 115.64 123.91 2o3o s THR 248 Ca -0.04 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.84 2o3o s THR 248 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2o3o s THR 248 CO 0.03 0.47 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.57 2o3o s VAL 249 N 0.43 1.35 0.10 3.82 1.01 -0.32 -0.43 120.40 126.37 2o3o s VAL 249 Ca 0.00 -1.17 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 2o3o s VAL 249 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2o3o s VAL 249 CO 0.02 0.02 -0.01 -1.83 0.00 0.00 0.00 175.10 173.30 2o3o s GLU 250 N -1.33 0.82 0.28 2.72 -1.05 0.37 -0.50 118.70 120.00 2o3o s GLU 250 Ca 0.03 -1.35 -0.20 0.00 -0.15 0.00 0.00 54.97 53.30 2o3o s GLU 250 Cb -0.09 0.07 0.02 0.00 -0.44 0.00 0.00 34.13 33.69 2o3o s GLU 250 CO 0.02 -0.14 0.70 1.52 0.95 0.00 0.00 175.26 178.30 2o3o s TYR 251 N -3.86 -0.13 0.46 4.83 -0.85 -0.90 -0.23 117.35 116.66 2o3o s TYR 251 Ca 0.15 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.38 2o3o s TYR 251 Cb 0.07 0.66 -0.01 0.00 0.38 0.00 0.00 41.96 43.06 2o3o s TYR 251 CO -0.03 -1.22 0.70 -1.21 -1.52 0.00 0.00 175.55 172.27 2o3o s GLU 252 N -3.93 3.15 0.00 -3.49 0.41 -1.26 -0.93 118.70 112.66 2o3o s GLU 252 Ca 0.12 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.35 2o3o s GLU 252 Cb -0.05 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 2o3o s GLU 252 CO 0.07 -0.26 0.00 1.17 -0.49 0.00 0.00 175.26 175.75 2o3o n LYS 253 N -2.13 0.00 -4.04 1.61 4.81 -1.26 -4.87 118.16 112.28 2o3o n LYS 253 Ca 0.01 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.14 2o3o n LYS 253 Cb 0.57 -0.03 -0.16 0.00 0.02 0.00 0.00 35.03 35.43 2o3o n LYS 253 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2o3o s LYS 259 N -1.88 2.33 0.06 1.64 1.02 -1.26 -5.09 119.74 116.57 2o3o s LYS 259 Ca 0.00 -0.89 -0.10 0.00 0.02 0.00 0.00 55.97 55.00 2o3o s LYS 259 Cb 0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2o3o s LYS 259 CO 0.00 -0.38 0.20 0.21 -0.92 0.00 0.00 175.35 174.47 2o3o s LYS 260 N 1.33 0.77 -0.28 1.68 2.20 -1.26 -5.12 119.74 119.06 2o3o s LYS 260 Ca -0.00 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.55 2o3o s LYS 260 Cb -0.16 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2o3o s LYS 260 CO -0.09 -0.24 1.27 0.99 -0.36 0.00 0.00 175.35 176.92 2o3o s THR 261 N -3.15 4.21 0.03 3.43 2.01 -1.26 -4.31 115.64 116.59 2o3o s THR 261 Ca -0.01 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.39 2o3o s THR 261 Cb 0.02 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2o3o s THR 261 CO -0.07 -0.41 0.07 -0.69 -0.69 0.00 0.00 174.62 172.83 2o3o s VAL 262 N 4.15 4.59 -0.09 3.82 1.01 -0.11 -4.96 120.40 128.81 2o3o s VAL 262 Ca 0.55 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2o3o s VAL 262 Cb -0.17 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2o3o s VAL 262 CO 0.21 0.25 -0.16 -1.10 0.00 0.00 0.00 175.10 174.30 2o3o s GLN 263 N -2.03 2.99 0.06 2.72 -0.21 -1.26 -2.13 119.66 119.80 2o3o s GLN 263 Ca 0.26 -0.73 0.05 0.00 0.02 0.00 0.00 55.36 54.96 2o3o s GLN 263 Cb -0.12 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2o3o s GLN 263 CO 0.17 0.36 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.44 2o3o s GLU 264 N -0.05 2.42 -0.03 2.91 2.02 0.34 -4.98 118.70 121.34 2o3o s GLU 264 Ca -0.04 -0.85 0.06 0.00 0.02 0.00 0.00 54.97 54.16 2o3o s GLU 264 Cb -0.14 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 2o3o s GLU 264 CO 0.04 0.56 -0.19 0.71 0.02 0.00 0.00 175.26 176.39 2o3o s TYR 265 N -1.16 1.78 0.03 1.61 2.02 -1.26 -1.17 117.35 119.20 2o3o s TYR 265 Ca 0.21 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 2o3o s TYR 265 Cb -0.11 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 2o3o s TYR 265 CO 0.13 -0.08 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.87 2o3o s PHE 266 N -0.30 0.83 -0.14 2.71 0.40 0.20 -4.98 117.98 116.71 2o3o s PHE 266 Ca 0.04 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 2o3o s PHE 266 Cb -0.09 -0.50 0.00 0.00 0.51 0.00 0.00 43.02 42.94 2o3o s PHE 266 CO 0.00 -0.02 -0.20 0.99 0.70 0.00 0.00 175.22 176.70 2o3o s THR 267 N -0.86 2.29 -0.01 0.64 2.01 -1.26 -0.51 115.64 117.95 2o3o s THR 267 Ca -0.03 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.14 2o3o s THR 267 Cb -0.07 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 2o3o s THR 267 CO 0.01 0.54 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.54 2o3o s VAL 268 N 0.72 1.94 -0.10 3.82 1.01 -0.01 -4.96 120.40 122.81 2o3o s VAL 268 Ca -0.09 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 2o3o s VAL 268 Cb -0.16 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2o3o s VAL 268 CO 0.01 0.52 1.48 0.21 0.00 0.00 0.00 175.10 177.32 2o3o s ASN 269 N -0.66 6.78 0.47 3.32 3.04 -1.26 -0.63 114.94 126.00 2o3o s ASN 269 Ca 0.10 1.99 0.26 0.00 0.04 0.00 0.00 52.86 55.25 2o3o s ASN 269 Cb -0.09 -2.54 0.73 0.00 -1.54 0.00 0.00 41.25 37.81 2o3o s ASN 269 CO -0.01 -0.86 1.75 0.00 -3.04 0.00 0.00 177.10 174.94 2o3o h ALA 270 N 8.98 0.98 -2.68 1.71 0.00 -1.70 -3.46 119.26 123.09 2o3o h ALA 270 Ca -0.34 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.01 2o3o h ALA 270 Cb 1.14 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.95 2o3o h ALA 270 CO 0.96 0.05 0.59 -0.51 0.00 0.00 0.00 179.25 180.35 2o3o s LEU 271 N -6.25 4.44 -0.93 0.00 1.43 -1.26 -0.36 118.68 115.75 2o3o s LEU 271 Ca 0.04 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 2o3o s LEU 271 Cb 0.07 -3.61 0.24 0.00 0.03 0.00 0.00 46.19 42.92 2o3o s LEU 271 CO 0.63 -0.43 0.88 -0.70 0.23 0.00 0.00 176.35 176.95 2o3o s GLU 272 N -0.27 3.74 -0.31 1.70 2.12 -1.02 -4.80 118.70 119.86 2o3o s GLU 272 Ca 0.54 -2.81 0.12 0.00 0.36 0.00 0.00 54.97 53.19 2o3o s GLU 272 Cb -0.34 -4.40 0.47 0.00 0.26 0.00 0.00 34.13 30.12 2o3o s GLU 272 CO 0.38 -1.26 1.13 -1.13 -0.54 0.00 0.00 175.26 173.83 2o3o n SER 273 N 3.35 3.54 0.23 -1.70 3.41 -1.26 -4.77 113.62 116.43 2o3o n SER 273 Ca 0.18 -3.14 -0.10 0.00 -0.26 0.00 0.00 58.87 55.55 2o3o n SER 273 Cb 0.43 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 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 3.31 0.00 -3.65 6.66 1.35 -2.01 -3.43 112.91 115.15 2o3o h THR 274 Ca 0.16 -0.48 -0.66 0.00 -0.55 0.00 0.00 66.41 64.88 2o3o h THR 274 Cb 1.31 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 67.57 2o3o h THR 274 CO 0.58 0.00 -0.23 -0.63 -0.25 0.00 0.00 175.52 174.99 2o3o s ILE 275 N -3.67 5.13 -2.91 6.82 1.01 -1.26 -5.34 121.20 120.98 2o3o s ILE 275 Ca -0.09 0.11 0.25 0.00 0.00 0.00 0.00 60.65 60.92 2o3o s ILE 275 Cb 0.01 -3.86 0.26 0.00 0.01 0.00 0.00 42.46 38.88 2o3o s ILE 275 CO 0.28 -0.12 1.35 0.18 0.00 0.00 0.00 174.94 176.63