#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxs s VAL 2 N 0.00 -0.00 -0.02 2.03 0.11 -1.26 -4.90 120.40 116.36 1oxs s VAL 2 Ca 0.00 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 1oxs s VAL 2 Cb 0.00 -0.03 -0.05 0.00 -1.53 0.00 0.00 36.38 34.76 1oxs s VAL 2 CO 0.00 0.00 0.47 -0.60 -3.33 0.00 0.00 175.10 171.64 1oxs s ARG 3 N 0.01 4.13 -0.17 1.54 3.52 -1.26 -3.76 118.95 122.96 1oxs s ARG 3 Ca -0.00 0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1oxs s ARG 3 Cb -0.00 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 1oxs s ARG 3 CO 0.00 0.51 -0.15 0.42 -0.81 0.00 0.00 175.30 175.27 1oxs s ILE 4 N -0.54 2.59 -0.25 4.11 1.01 -0.22 -0.14 121.20 127.76 1oxs s ILE 4 Ca 0.26 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1oxs s ILE 4 Cb -0.17 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1oxs s ILE 4 CO 0.14 0.51 0.00 -0.63 0.00 0.00 0.00 174.94 174.96 1oxs s ILE 5 N 1.04 3.57 -0.35 2.92 1.01 -0.24 -0.30 121.20 128.85 1oxs s ILE 5 Ca -0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 1oxs s ILE 5 Cb -0.15 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1oxs s ILE 5 CO -0.04 0.27 0.19 -0.69 0.00 0.00 0.00 174.94 174.67 1oxs s VAL 6 N 1.47 4.60 -0.28 2.92 1.01 0.19 -1.26 120.40 129.05 1oxs s VAL 6 Ca 0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1oxs s VAL 6 Cb -0.16 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1oxs s VAL 6 CO -0.01 -0.12 -0.04 -0.75 0.00 0.00 0.00 175.10 174.18 1oxs s LYS 7 N 1.58 2.40 -1.53 2.72 2.47 -0.08 -1.95 119.74 125.36 1oxs s LYS 7 Ca 0.03 -1.27 -0.05 0.00 -1.56 0.00 0.00 55.97 53.12 1oxs s LYS 7 Cb -0.18 -3.08 0.04 0.00 -1.46 0.00 0.00 37.83 33.15 1oxs s LYS 7 CO 0.07 -0.59 0.40 0.09 0.16 0.00 0.00 175.35 175.47 1oxs n ASN 8 N 4.57 -0.67 -4.68 1.43 3.02 -1.09 -1.17 115.26 116.67 1oxs n ASN 8 Ca -0.14 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 52.91 1oxs n ASN 8 Cb 0.43 -2.55 -0.04 0.00 -0.61 0.00 0.00 39.78 37.01 1oxs n ASN 8 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oxs s VAL 9 N -3.90 4.86 0.11 2.41 1.01 -0.47 -3.47 120.40 120.96 1oxs s VAL 9 Ca 0.19 1.73 0.07 0.00 0.00 0.00 0.00 61.98 63.98 1oxs s VAL 9 Cb -0.11 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1oxs s VAL 9 CO 0.93 0.03 -0.17 -0.44 0.00 0.00 0.00 175.10 175.45 1oxs s SER 10 N 1.12 2.27 -0.08 3.32 0.01 -0.30 -0.48 113.70 119.56 1oxs s SER 10 Ca 0.41 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 1oxs s SER 10 Cb -0.17 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 65.99 1oxs s SER 10 CO 0.14 -0.04 0.17 -0.75 0.41 0.00 0.00 173.24 173.17 1oxs s LYS 11 N -2.24 0.11 0.25 12.44 2.47 -0.34 -0.32 119.74 132.12 1oxs s LYS 11 Ca 0.07 0.42 0.11 0.00 -1.56 0.00 0.00 55.97 55.01 1oxs s LYS 11 Cb -0.08 -0.17 -0.05 0.00 -1.46 0.00 0.00 37.83 36.07 1oxs s LYS 11 CO 0.04 -0.18 -0.20 0.14 0.16 0.00 0.00 175.35 175.31 1oxs s VAL 12 N 1.27 2.36 0.34 4.02 -7.23 -1.26 -0.35 120.40 119.55 1oxs s VAL 12 Ca -0.08 -2.30 0.03 0.00 -1.81 0.00 0.00 61.98 57.82 1oxs s VAL 12 Cb -0.11 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1oxs s VAL 12 CO -0.07 -0.36 0.12 -0.36 -0.31 0.00 0.00 175.10 174.12 1oxs s PHE 13 N -2.37 1.75 -1.55 2.82 0.40 -0.09 -4.84 117.98 114.10 1oxs s PHE 13 Ca 0.27 -1.21 -0.13 0.00 -0.60 0.00 0.00 56.93 55.26 1oxs s PHE 13 Cb -0.05 -1.08 0.09 0.00 0.51 0.00 0.00 43.02 42.49 1oxs s PHE 13 CO 0.13 -0.29 0.87 1.63 0.70 0.00 0.00 175.22 178.26 1oxs n LYS 14 N -0.72 -4.72 -1.69 0.44 5.02 -1.26 -1.20 118.16 114.02 1oxs n LYS 14 Ca -0.02 0.53 -0.16 0.00 -2.02 0.00 0.00 58.31 56.63 1oxs n LYS 14 Cb 0.65 -5.29 -0.05 0.00 -0.02 0.00 0.00 35.03 30.32 1oxs n LYS 14 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oxs n LYS 15 N -4.56 -1.15 0.00 1.97 5.02 -1.26 -2.15 118.16 116.03 1oxs n LYS 15 Ca -0.01 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1oxs n LYS 15 Cb 0.54 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1oxs n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oxs n GLY 16 N -1.02 1.46 0.22 0.72 0.00 -0.34 -4.97 105.19 101.26 1oxs n GLY 16 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1oxs n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1oxs h LYS 17 N 1.73 0.31 -4.92 1.61 3.64 -1.15 -3.40 116.57 114.40 1oxs h LYS 17 Ca 0.00 -0.12 -0.65 0.00 -1.27 0.00 0.00 60.65 58.61 1oxs h LYS 17 Cb 0.00 -0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 31.57 1oxs h LYS 17 CO 0.00 0.57 -0.62 0.08 -2.27 0.00 0.00 179.45 177.21 1oxs s VAL 18 N -4.42 4.29 -0.51 2.00 1.01 -0.96 -5.03 120.40 116.78 1oxs s VAL 18 Ca -0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1oxs s VAL 18 Cb 0.14 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.61 1oxs s VAL 18 CO 0.77 0.30 0.40 -0.69 0.00 0.00 0.00 175.10 175.88 1oxs s VAL 19 N 1.60 4.48 0.11 2.92 1.01 -1.26 -0.91 120.40 128.36 1oxs s VAL 19 Ca 0.06 -1.80 -0.09 0.00 0.00 0.00 0.00 61.98 60.15 1oxs s VAL 19 Cb -0.15 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.13 1oxs s VAL 19 CO 0.04 -0.81 1.30 0.00 0.00 0.00 0.00 175.10 175.62 1oxs h ALA 20 N 8.46 0.32 -3.84 5.51 0.00 -1.05 -3.42 119.26 125.25 1oxs h ALA 20 Ca -0.21 -0.66 -0.37 0.00 0.00 0.00 0.00 54.91 53.67 1oxs h ALA 20 Cb 1.07 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 1oxs h ALA 20 CO 0.89 0.73 -0.77 -0.51 0.00 0.00 0.00 179.25 179.59 1oxs s LEU 21 N -8.08 1.83 -0.35 0.00 1.43 -0.99 -3.99 118.68 108.53 1oxs s LEU 21 Ca -0.08 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1oxs s LEU 21 Cb 0.09 -0.39 0.11 0.00 0.03 0.00 0.00 46.19 46.02 1oxs s LEU 21 CO 0.89 0.05 0.12 -0.62 0.23 0.00 0.00 176.35 177.02 1oxs s ASP 22 N 0.11 4.12 -1.23 2.29 3.68 0.29 -1.20 116.67 124.74 1oxs s ASP 22 Ca -0.01 -1.96 -0.10 0.00 2.13 0.00 0.00 52.55 52.60 1oxs s ASP 22 Cb -0.06 -1.07 -0.01 0.00 -1.45 0.00 0.00 42.92 40.33 1oxs s ASP 22 CO -0.00 -0.38 0.71 -3.20 0.13 0.00 0.00 175.17 172.43 1oxs n ASN 23 N 4.44 -3.37 -4.71 -0.34 5.15 -0.84 -4.64 115.26 110.95 1oxs n ASN 23 Ca 0.01 -0.93 -0.42 0.00 -0.60 0.00 0.00 54.58 52.64 1oxs n ASN 23 Cb 0.40 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 35.95 1oxs n ASN 23 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1oxs s VAL 24 N -3.61 4.75 -0.12 3.44 1.01 0.37 -4.66 120.40 121.59 1oxs s VAL 24 Ca 0.26 2.01 -0.01 0.00 0.00 0.00 0.00 61.98 64.24 1oxs s VAL 24 Cb -0.08 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.04 1oxs s VAL 24 CO 0.84 0.18 -0.05 0.20 0.00 0.00 0.00 175.10 176.28 1oxs s ASN 25 N 0.85 2.19 -0.07 3.32 0.01 -1.26 -1.37 114.94 118.61 1oxs s ASN 25 Ca 0.52 -0.34 -0.09 0.00 -0.71 0.00 0.00 52.86 52.24 1oxs s ASN 25 Cb -0.22 -0.74 0.02 0.00 0.41 0.00 0.00 41.25 40.72 1oxs s ASN 25 CO 0.28 -0.16 0.24 -0.63 -1.51 0.00 0.00 177.10 175.32 1oxs s ILE 26 N 1.77 0.02 -0.26 0.60 1.01 -0.82 -5.01 121.20 118.51 1oxs s ILE 26 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1oxs s ILE 26 Cb -0.13 -0.39 0.05 0.00 0.01 0.00 0.00 42.46 42.00 1oxs s ILE 26 CO -0.07 -0.08 -0.09 0.20 0.00 0.00 0.00 174.94 174.89 1oxs s ASN 27 N -0.23 4.42 -0.23 3.58 0.01 -1.26 -0.64 114.94 120.59 1oxs s ASN 27 Ca -0.03 -1.28 -0.13 0.00 -0.71 0.00 0.00 52.86 50.70 1oxs s ASN 27 Cb -0.03 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 1oxs s ASN 27 CO 0.01 -0.18 0.29 -0.63 -1.51 0.00 0.00 177.10 175.07 1oxs s ILE 28 N 1.16 5.27 0.57 0.60 1.01 0.59 -4.97 121.20 125.43 1oxs s ILE 28 Ca -0.07 0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.90 1oxs s ILE 28 Cb -0.19 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 1oxs s ILE 28 CO -0.05 0.28 1.01 -1.61 0.00 0.00 0.00 174.94 174.57 1oxs s GLU 29 N 1.29 3.74 0.15 2.79 0.41 -1.26 -1.05 118.70 124.76 1oxs s GLU 29 Ca 0.13 0.82 -0.31 0.00 -0.41 0.00 0.00 54.97 55.20 1oxs s GLU 29 Cb -0.14 -2.11 -0.11 0.00 -1.78 0.00 0.00 34.13 29.99 1oxs s GLU 29 CO 0.07 -0.44 1.77 1.21 -0.49 0.00 0.00 175.26 177.38 1oxs s ASN 30 N -3.73 6.42 0.00 -0.19 3.04 -1.25 -1.32 114.94 117.92 1oxs s ASN 30 Ca 0.56 2.78 0.00 0.00 0.04 0.00 0.00 52.86 56.25 1oxs s ASN 30 Cb -0.11 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 37.02 1oxs s ASN 30 CO 0.45 -0.98 0.00 0.61 -3.04 0.00 0.00 177.10 174.14 1oxs n GLY 31 N 4.11 0.70 3.80 1.21 0.00 -1.26 -4.59 105.19 109.15 1oxs n GLY 31 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1oxs n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oxs s GLU 32 N -0.04 4.17 -0.41 1.61 2.12 -0.43 -4.64 118.70 121.08 1oxs s GLU 32 Ca 0.00 1.33 -0.14 0.00 0.36 0.00 0.00 54.97 56.52 1oxs s GLU 32 Cb 0.00 -2.38 0.03 0.00 0.26 0.00 0.00 34.13 32.04 1oxs s GLU 32 CO 0.00 -0.10 0.28 1.03 -0.54 0.00 0.00 175.26 175.93 1oxs s ARG 33 N -2.79 2.91 -0.04 4.30 0.52 -1.26 -1.15 118.95 121.44 1oxs s ARG 33 Ca 0.60 -1.09 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1oxs s ARG 33 Cb -0.16 -3.92 -0.02 0.00 0.52 0.00 0.00 34.95 31.37 1oxs s ARG 33 CO 0.21 -0.77 -0.23 0.12 0.02 0.00 0.00 175.30 174.65 1oxs s PHE 34 N 1.63 2.46 0.22 -0.53 5.36 0.15 -0.71 117.98 126.57 1oxs s PHE 34 Ca 0.04 -0.49 0.10 0.00 -0.96 0.00 0.00 56.93 55.63 1oxs s PHE 34 Cb -0.20 -1.58 -0.05 0.00 -0.34 0.00 0.00 43.02 40.86 1oxs s PHE 34 CO 0.08 -0.06 -0.19 0.20 -1.46 0.00 0.00 175.22 173.79 1oxs s GLY 35 N -0.44 1.65 -0.07 13.12 0.00 -0.22 -1.38 107.32 119.98 1oxs s GLY 35 Ca 0.05 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.09 1oxs s GLY 35 CO 0.01 -1.78 -0.15 -0.42 0.00 0.00 0.00 173.10 170.77 1oxs s ILE 36 N -2.36 1.32 0.30 0.90 -1.09 0.09 -0.91 121.20 119.46 1oxs s ILE 36 Ca 0.24 -0.60 0.11 0.00 -2.23 0.00 0.00 60.65 58.17 1oxs s ILE 36 Cb -0.05 -1.18 -0.06 0.00 -1.58 0.00 0.00 42.46 39.60 1oxs s ILE 36 CO 0.10 0.39 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.30 1oxs s LEU 37 N 0.51 2.68 0.00 2.97 1.43 -0.56 -2.78 118.68 122.94 1oxs s LEU 37 Ca -0.14 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1oxs s LEU 37 Cb -0.15 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1oxs s LEU 37 CO 0.04 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1oxs n GLY 38 N -0.71 2.34 0.27 -3.19 0.00 -1.26 -1.02 105.19 101.63 1oxs n GLY 38 Ca -0.05 -0.91 0.17 0.00 0.00 0.00 0.00 46.02 45.23 1oxs n GLY 38 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1oxs h PRO 39 N 0.00 0.00 -4.17 1.61 0.11 -1.98 -3.42 132.00 124.15 1oxs h PRO 39 Ca 0.00 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.36 1oxs h PRO 39 Cb 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 30.85 1oxs h PRO 39 CO 0.00 0.00 -0.29 0.45 -0.21 0.00 0.00 178.00 177.95 1oxs s SER 40 N -5.62 6.00 0.26 -2.05 0.15 -1.26 -4.92 113.70 106.26 1oxs s SER 40 Ca 0.01 -1.84 -0.04 0.00 0.70 0.00 0.00 55.95 54.78 1oxs s SER 40 Cb 0.09 -2.13 0.38 0.00 -1.71 0.00 0.00 66.02 62.64 1oxs s SER 40 CO 0.54 -0.79 1.87 1.23 1.20 0.00 0.00 173.24 177.28 1oxs h GLY 41 N 8.71 1.43 0.93 9.45 0.00 -2.00 -1.54 103.07 120.06 1oxs h GLY 41 Ca -0.26 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1oxs h GLY 41 CO 0.97 0.30 0.12 0.00 0.00 0.00 0.00 176.54 177.92 1oxs h ALA 42 N 1.44 0.29 -0.36 3.60 0.00 -1.98 0.93 119.26 123.18 1oxs h ALA 42 Ca 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1oxs h ALA 42 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1oxs h ALA 42 CO -0.18 -0.16 0.17 0.78 0.00 0.00 0.00 179.25 179.85 1oxs h GLY 43 N 0.24 0.56 0.80 0.00 0.00 -1.83 0.43 103.07 103.28 1oxs h GLY 43 Ca 0.08 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1oxs h GLY 43 CO -0.01 0.27 0.55 0.50 0.00 0.00 0.00 176.54 177.84 1oxs h LYS 44 N 0.44 1.00 -0.28 4.80 1.57 -1.23 0.25 116.57 123.12 1oxs h LYS 44 Ca 0.12 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1oxs h LYS 44 Cb 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1oxs h LYS 44 CO -0.01 0.66 -0.28 1.15 -0.57 0.00 0.00 179.45 180.40 1oxs h THR 45 N 1.03 1.28 -0.29 -0.16 2.02 -0.30 -1.06 112.91 115.43 1oxs h THR 45 Ca 0.36 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1oxs h THR 45 Cb 0.09 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1oxs h THR 45 CO -0.14 0.44 0.19 0.74 0.37 0.00 0.00 175.52 177.11 1oxs h THR 46 N 0.50 1.07 -0.37 3.16 2.02 0.37 0.17 112.91 119.82 1oxs h THR 46 Ca 0.06 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1oxs h THR 46 Cb 0.75 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1oxs h THR 46 CO 0.06 0.07 0.18 0.15 0.37 0.00 0.00 175.52 176.35 1oxs h PHE 47 N 0.38 0.34 -0.39 3.16 3.57 -0.59 -0.73 116.94 122.68 1oxs h PHE 47 Ca 0.11 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1oxs h PHE 47 Cb -0.04 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1oxs h PHE 47 CO -0.06 0.18 -0.08 1.98 -2.23 0.00 0.00 178.31 178.10 1oxs h MET 48 N 0.38 0.66 -0.19 1.11 4.05 -0.51 -1.63 114.93 118.80 1oxs h MET 48 Ca 0.16 -0.19 -0.12 0.00 -0.28 0.00 0.00 59.70 59.27 1oxs h MET 48 Cb 0.06 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1oxs h MET 48 CO -0.11 0.74 -0.38 0.00 0.23 0.00 0.00 176.91 177.39 1oxs h ARG 49 N 0.61 0.42 -0.42 0.39 3.08 -0.32 -0.12 114.38 118.03 1oxs h ARG 49 Ca 0.11 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1oxs h ARG 49 Cb 0.50 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1oxs h ARG 49 CO 0.03 0.74 0.08 0.82 -1.07 0.00 0.00 179.97 180.57 1oxs h ILE 50 N 0.36 1.24 -0.73 2.04 2.04 -0.63 -0.37 117.51 121.45 1oxs h ILE 50 Ca 0.04 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1oxs h ILE 50 Cb 0.83 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1oxs h ILE 50 CO 0.07 0.30 0.36 0.40 0.00 0.00 0.00 178.15 179.27 1oxs h ILE 51 N 0.54 1.23 0.00 -0.67 1.08 -1.01 -2.71 117.51 115.97 1oxs h ILE 51 Ca 0.13 -0.64 -0.08 0.00 -0.39 0.00 0.00 64.86 63.88 1oxs h ILE 51 Cb 0.36 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1oxs h ILE 51 CO 0.01 0.27 -0.37 0.00 -0.69 0.00 0.00 178.15 177.36 1oxs h ALA 52 N 1.36 1.10 0.00 1.87 0.00 -0.86 -3.47 119.26 119.25 1oxs h ALA 52 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1oxs h ALA 52 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1oxs h ALA 52 CO -0.03 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1oxs n GLY 53 N -0.00 0.85 0.14 0.00 0.00 -0.50 -4.20 105.19 101.48 1oxs n GLY 53 Ca -0.01 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1oxs n GLY 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oxs h LEU 54 N 0.00 0.00 -8.47 0.99 3.38 -1.38 -3.39 115.31 106.44 1oxs h LEU 54 Ca 0.00 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1oxs h LEU 54 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 1oxs h LEU 54 CO 0.00 0.01 -0.45 -0.62 0.09 0.00 0.00 178.44 177.47 1oxs s ASP 55 N -5.10 0.07 0.16 -0.43 -1.08 -1.00 -4.97 116.67 104.33 1oxs s ASP 55 Ca 0.08 -1.23 0.06 0.00 -0.52 0.00 0.00 52.55 50.94 1oxs s ASP 55 Cb 0.10 0.45 -0.04 0.00 -1.46 0.00 0.00 42.92 41.97 1oxs s ASP 55 CO 0.64 -0.94 -0.13 0.68 0.52 0.00 0.00 175.17 175.94 1oxs s VAL 56 N -4.11 1.44 0.40 1.11 -7.23 -1.26 -4.25 120.40 106.49 1oxs s VAL 56 Ca 0.33 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.21 1oxs s VAL 56 Cb 0.04 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.05 1oxs s VAL 56 CO 0.11 -0.60 1.33 -2.84 -0.31 0.00 0.00 175.10 172.79 1oxs s PRO 57 N -3.41 4.00 0.07 4.82 0.02 -1.26 -4.86 135.00 134.38 1oxs s PRO 57 Ca 0.17 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.23 1oxs s PRO 57 Cb -0.01 -2.80 -0.10 0.00 0.02 0.00 0.00 34.50 31.61 1oxs s PRO 57 CO 0.04 -0.49 1.44 0.77 -0.33 0.00 0.00 177.00 178.43 1oxs h SER 58 N 2.76 0.48 -4.75 2.53 0.02 -1.04 0.31 113.55 113.86 1oxs h SER 58 Ca -0.50 -0.40 -0.25 0.00 -0.84 0.00 0.00 61.79 59.80 1oxs h SER 58 Cb 1.24 -0.13 -0.19 0.00 0.14 0.00 0.00 62.40 63.46 1oxs h SER 58 CO 0.63 0.77 -0.72 0.42 -1.14 0.00 0.00 176.83 176.79 1oxs s THR 59 N -4.64 0.56 0.00 -2.27 -4.23 -1.16 -3.25 115.64 100.65 1oxs s THR 59 Ca -0.14 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1oxs s THR 59 Cb 0.07 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 73.02 1oxs s THR 59 CO 0.76 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1oxs n GLY 60 N 1.05 0.65 3.13 3.99 0.00 -1.23 -1.16 105.19 111.62 1oxs n GLY 60 Ca -0.20 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 1oxs n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxs s GLU 61 N -1.18 0.71 -0.07 1.61 8.01 -0.32 -1.15 118.70 126.30 1oxs s GLU 61 Ca 0.00 -1.02 0.01 0.00 0.01 0.00 0.00 54.97 53.97 1oxs s GLU 61 Cb 0.00 -0.37 0.02 0.00 -4.31 0.00 0.00 34.13 29.47 1oxs s GLU 61 CO 0.00 0.05 -0.07 -1.17 0.01 0.00 0.00 175.26 174.08 1oxs s LEU 62 N -2.18 1.30 -0.03 1.80 2.96 -0.62 -0.90 118.68 121.01 1oxs s LEU 62 Ca 0.00 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1oxs s LEU 62 Cb -0.04 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 1oxs s LEU 62 CO -0.01 -0.06 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.42 1oxs s TYR 63 N 1.17 2.16 -0.27 5.38 1.51 -0.39 -0.78 117.35 126.13 1oxs s TYR 63 Ca -0.06 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.49 1oxs s TYR 63 Cb -0.14 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1oxs s TYR 63 CO -0.02 -0.08 0.02 -0.06 -1.11 0.00 0.00 175.55 174.31 1oxs s PHE 64 N -0.46 3.10 0.00 2.71 0.40 -0.08 -1.08 117.98 122.58 1oxs s PHE 64 Ca 0.06 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.24 1oxs s PHE 64 Cb -0.10 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.25 1oxs s PHE 64 CO 0.00 -0.62 0.00 -0.25 0.70 0.00 0.00 175.22 175.05 1oxs n ASP 65 N 4.80 0.00 -1.13 1.36 8.00 0.80 -0.93 116.55 129.45 1oxs n ASP 65 Ca -0.15 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.46 1oxs n ASP 65 Cb 0.48 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.84 1oxs n ASP 65 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1oxs n ASP 66 N 5.05 3.35 -4.64 -2.24 9.92 -1.26 -4.83 116.55 121.91 1oxs n ASP 66 Ca 0.00 -1.97 -0.40 0.00 -0.53 0.00 0.00 54.79 51.88 1oxs n ASP 66 Cb 0.00 -0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.12 1oxs n ASP 66 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1oxs s ARG 67 N -1.40 4.15 -0.38 -1.24 0.52 -0.10 -5.01 118.95 115.49 1oxs s ARG 67 Ca 0.40 0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 55.92 1oxs s ARG 67 Cb 0.23 -3.62 0.01 0.00 0.52 0.00 0.00 34.95 32.08 1oxs s ARG 67 CO 0.31 -0.36 1.33 -1.17 0.02 0.00 0.00 175.30 175.43 1oxs s LEU 68 N 2.31 3.70 -0.04 2.53 2.96 -1.26 -0.90 118.68 127.98 1oxs s LEU 68 Ca 0.28 0.91 0.21 0.00 -0.22 0.00 0.00 54.13 55.31 1oxs s LEU 68 Cb -0.16 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.70 1oxs s LEU 68 CO 0.09 -1.27 0.45 1.33 -1.32 0.00 0.00 176.35 175.63 1oxs n VAL 69 N 6.71 0.34 -3.57 1.68 0.24 0.04 -4.52 118.33 119.25 1oxs n VAL 69 Ca 0.15 -0.58 -0.17 0.00 -2.04 0.00 0.00 64.34 61.71 1oxs n VAL 69 Cb 0.48 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.65 1oxs n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oxs s ALA 70 N -3.30 -1.61 -0.30 2.33 0.00 -1.20 -1.44 121.76 116.25 1oxs s ALA 70 Ca -0.08 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1oxs s ALA 70 Cb 0.12 -0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.27 1oxs s ALA 70 CO 0.88 -0.35 0.76 0.45 0.00 0.00 0.00 175.76 177.51 1oxs s SER 71 N -1.04 -0.94 -1.32 0.00 0.15 -0.43 -1.59 113.70 108.53 1oxs s SER 71 Ca -0.10 1.32 -0.10 0.00 0.70 0.00 0.00 55.95 57.77 1oxs s SER 71 Cb -0.01 1.97 0.00 0.00 -1.71 0.00 0.00 66.02 66.27 1oxs s SER 71 CO 0.08 -0.19 0.53 0.59 1.20 0.00 0.00 173.24 175.45 1oxs n ASN 72 N 5.10 -2.07 0.00 5.45 3.02 -0.30 -0.70 115.26 125.76 1oxs n ASN 72 Ca -0.13 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 1oxs n ASN 72 Cb 0.52 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 1oxs n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oxs n GLY 73 N -1.95 0.91 3.35 7.41 0.00 0.10 -4.89 105.19 110.12 1oxs n GLY 73 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1oxs n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxs s LYS 74 N -0.48 3.11 -0.37 1.61 1.02 0.12 -4.99 119.74 119.77 1oxs s LYS 74 Ca 0.00 -0.74 -0.23 0.00 0.02 0.00 0.00 55.97 55.02 1oxs s LYS 74 Cb 0.00 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1oxs s LYS 74 CO 0.00 0.29 0.77 -1.17 -0.92 0.00 0.00 175.35 174.32 1oxs s LEU 75 N 0.13 4.14 -0.24 3.17 2.96 -1.26 -1.32 118.68 126.27 1oxs s LEU 75 Ca -0.08 0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 54.07 1oxs s LEU 75 Cb -0.15 -3.01 -0.17 0.00 0.50 0.00 0.00 46.19 43.36 1oxs s LEU 75 CO 0.05 -0.73 -0.11 -0.38 -1.32 0.00 0.00 176.35 173.87 1oxs n ILE 76 N 5.78 1.56 -4.08 6.68 5.41 -0.52 -4.84 119.36 129.36 1oxs n ILE 76 Ca 0.03 -0.44 -0.32 0.00 1.00 0.00 0.00 62.75 63.01 1oxs n ILE 76 Cb 0.48 -1.72 -0.15 0.00 -0.71 0.00 0.00 39.64 37.54 1oxs n ILE 76 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1oxs s VAL 77 N -2.50 2.11 0.86 1.39 1.01 -0.56 -5.01 120.40 117.70 1oxs s VAL 77 Ca -0.33 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.10 1oxs s VAL 77 Cb 0.10 -2.15 0.11 0.00 0.00 0.00 0.00 36.38 34.44 1oxs s VAL 77 CO 0.59 0.11 1.10 -2.16 0.00 0.00 0.00 175.10 174.74 1oxs s PRO 78 N 1.16 1.51 0.25 2.72 0.04 -1.26 -4.85 135.00 134.57 1oxs s PRO 78 Ca -0.05 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 1oxs s PRO 78 Cb -0.18 -1.82 0.52 0.00 0.04 0.00 0.00 34.50 33.06 1oxs s PRO 78 CO -0.07 -2.14 1.70 -1.35 0.04 0.00 0.00 177.00 175.18 1oxs h PRO 79 N -1.49 0.34 0.00 0.56 0.11 -1.76 -1.65 132.00 128.11 1oxs h PRO 79 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1oxs h PRO 79 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1oxs h PRO 79 CO 0.51 0.23 0.00 1.05 -0.21 0.00 0.00 178.00 179.58 1oxs h GLU 80 N 0.35 0.00 -0.49 1.05 9.09 -1.92 -1.89 114.58 120.77 1oxs h GLU 80 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1oxs h GLU 80 Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 1oxs h GLU 80 CO -0.48 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.33 1oxs n ASP 81 N -3.01 3.59 -0.76 3.06 8.00 -0.62 -4.58 116.55 122.24 1oxs n ASP 81 Ca -0.01 -1.99 0.12 0.00 0.71 0.00 0.00 54.79 53.62 1oxs n ASP 81 Cb 0.18 -0.32 0.10 0.00 -0.02 0.00 0.00 41.12 41.06 1oxs n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1oxs n ARG 82 N 1.51 1.87 -3.39 -1.24 1.74 -0.71 -4.95 116.66 111.49 1oxs n ARG 82 Ca 0.21 -1.52 -0.17 0.00 -0.77 0.00 0.00 57.85 55.60 1oxs n ARG 82 Cb 0.60 -1.47 0.09 0.00 -1.02 0.00 0.00 32.46 30.66 1oxs n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1oxs n LYS 83 N 0.76 -5.84 -4.71 5.56 5.02 -1.26 -4.82 118.16 112.87 1oxs n LYS 83 Ca 0.13 0.85 -0.31 0.00 -2.02 0.00 0.00 58.31 56.96 1oxs n LYS 83 Cb 0.53 -5.84 -0.13 0.00 -0.02 0.00 0.00 35.03 29.58 1oxs n LYS 83 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1oxs s ILE 84 N -3.36 2.72 -0.09 -0.18 1.01 -1.26 -0.28 121.20 119.75 1oxs s ILE 84 Ca 0.08 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.56 1oxs s ILE 84 Cb -0.01 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1oxs s ILE 84 CO 0.73 0.35 -0.17 -0.83 0.00 0.00 0.00 174.94 175.02 1oxs s GLY 85 N -1.37 1.47 -0.12 6.18 0.00 -0.24 -4.87 107.32 108.36 1oxs s GLY 85 Ca 0.14 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.92 1oxs s GLY 85 CO 0.05 -0.44 -0.16 1.06 0.00 0.00 0.00 173.10 173.61 1oxs s MET 86 N -0.03 3.30 -0.31 2.90 -1.94 -1.26 -0.75 119.30 121.21 1oxs s MET 86 Ca -0.05 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.23 1oxs s MET 86 Cb -0.14 -2.56 0.09 0.00 2.01 0.00 0.00 34.83 34.23 1oxs s MET 86 CO 0.04 0.19 0.01 0.08 -0.01 0.00 0.00 175.02 175.34 1oxs s VAL 87 N 0.38 2.07 -0.04 -6.03 1.01 -0.16 -4.58 120.40 113.05 1oxs s VAL 87 Ca -0.12 -2.01 0.05 0.00 0.00 0.00 0.00 61.98 59.90 1oxs s VAL 87 Cb -0.16 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1oxs s VAL 87 CO 0.06 -0.43 -0.20 -0.36 0.00 0.00 0.00 175.10 174.17 1oxs s PHE 88 N 1.05 1.95 0.47 5.22 0.08 -1.26 -1.20 117.98 124.29 1oxs s PHE 88 Ca 0.05 -0.53 0.19 0.00 0.12 0.00 0.00 56.93 56.75 1oxs s PHE 88 Cb -0.19 -1.29 1.17 0.00 -0.57 0.00 0.00 43.02 42.14 1oxs s PHE 88 CO -0.09 -0.15 1.96 0.37 -0.10 0.00 0.00 175.22 177.21 1oxs h GLN 89 N 6.07 0.26 0.00 0.44 4.15 -1.34 -1.28 115.11 123.41 1oxs h GLN 89 Ca -0.34 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1oxs h GLN 89 Cb 1.17 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1oxs h GLN 89 CO 0.48 0.17 -0.07 0.25 -1.93 0.00 0.00 178.83 177.72 1oxs n THR 90 N -4.44 0.18 -3.48 2.39 -2.24 -1.26 -4.53 114.28 100.90 1oxs n THR 90 Ca 0.11 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1oxs n THR 90 Cb 0.51 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 1oxs n THR 90 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1oxs s TRP 91 N -3.04 3.66 0.80 4.78 -0.00 -0.48 -5.08 118.94 119.58 1oxs s TRP 91 Ca 0.12 -2.33 -0.12 0.00 -0.00 0.00 0.00 56.10 53.78 1oxs s TRP 91 Cb 0.17 -3.57 0.07 0.00 -0.00 0.00 0.00 33.47 30.14 1oxs s TRP 91 CO 0.57 -0.92 1.16 0.00 -0.00 0.00 0.00 176.95 177.76 1oxs s ALA 92 N -0.05 2.58 0.53 5.86 0.00 -1.26 -4.64 121.76 124.77 1oxs s ALA 92 Ca 0.19 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 1oxs s ALA 92 Cb -0.14 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1oxs s ALA 92 CO -0.07 -1.65 1.17 -0.51 0.00 0.00 0.00 175.76 174.70 1oxs s LEU 93 N -5.60 3.82 -0.17 0.00 1.43 -1.26 -4.97 118.68 111.93 1oxs s LEU 93 Ca 0.61 2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 55.72 1oxs s LEU 93 Cb -0.12 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 1oxs s LEU 93 CO 0.50 -1.23 1.29 -0.31 0.23 0.00 0.00 176.35 176.84 1oxs s TYR 94 N -1.63 2.77 0.47 0.29 1.51 -1.26 -4.91 117.35 114.59 1oxs s TYR 94 Ca 0.71 0.94 0.20 0.00 -1.01 0.00 0.00 57.07 57.91 1oxs s TYR 94 Cb -0.28 -3.56 1.28 0.00 -0.11 0.00 0.00 41.96 39.29 1oxs s TYR 94 CO 0.32 -1.84 2.08 -1.00 -1.11 0.00 0.00 175.55 173.99 1oxs h PRO 95 N 8.39 0.00 -0.39 -1.71 0.13 -1.99 -2.63 132.00 133.80 1oxs h PRO 95 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1oxs h PRO 95 Cb 1.11 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1oxs h PRO 95 CO 0.97 0.11 0.04 -1.71 -0.23 0.00 0.00 178.00 177.19 1oxs n ASN 96 N -4.12 3.76 -4.47 1.44 5.15 -1.26 -4.43 115.26 111.34 1oxs n ASN 96 Ca -0.02 -3.25 -0.32 0.00 -0.60 0.00 0.00 54.58 50.39 1oxs n ASN 96 Cb 0.19 -0.61 -0.13 0.00 -0.53 0.00 0.00 39.78 38.70 1oxs n ASN 96 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1oxs s LEU 97 N -2.97 2.66 1.08 1.20 1.02 -0.99 -5.12 118.68 115.56 1oxs s LEU 97 Ca 0.46 -0.32 -0.14 0.00 0.02 0.00 0.00 54.13 54.15 1oxs s LEU 97 Cb 0.38 -1.55 0.23 0.00 0.02 0.00 0.00 46.19 45.27 1oxs s LEU 97 CO 0.08 0.29 1.08 0.42 0.02 0.00 0.00 176.35 178.24 1oxs s THR 98 N -0.84 1.93 0.19 5.49 -4.23 -1.26 -4.28 115.64 112.64 1oxs s THR 98 Ca 0.13 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1oxs s THR 98 Cb -0.11 -2.39 0.13 0.00 1.34 0.00 0.00 72.50 71.47 1oxs s THR 98 CO 0.03 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.82 1oxs h ALA 99 N -2.21 0.58 -0.16 3.99 0.00 -0.71 0.16 119.26 120.91 1oxs h ALA 99 Ca -0.55 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1oxs h ALA 99 Cb 1.33 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1oxs h ALA 99 CO 0.53 -0.32 -0.12 0.35 0.00 0.00 0.00 179.25 179.68 1oxs h PHE 100 N 0.22 -0.31 -0.90 0.00 3.57 -1.48 -1.05 116.94 116.99 1oxs h PHE 100 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1oxs h PHE 100 Cb 0.37 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1oxs h PHE 100 CO -0.25 -0.19 0.58 0.93 -2.23 0.00 0.00 178.31 177.15 1oxs h GLU 101 N -0.13 1.19 -0.69 1.11 5.08 -1.68 0.47 114.58 119.94 1oxs h GLU 101 Ca 0.10 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1oxs h GLU 101 Cb 0.28 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1oxs h GLU 101 CO -0.24 0.80 0.25 -0.91 -1.00 0.00 0.00 179.01 177.91 1oxs h ASN 102 N 1.22 0.96 0.75 1.42 2.35 -0.20 -1.90 115.58 120.19 1oxs h ASN 102 Ca 0.33 -0.18 -0.17 0.00 -0.55 0.00 0.00 56.30 55.72 1oxs h ASN 102 Cb -0.11 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 1oxs h ASN 102 CO -0.07 0.89 -0.80 0.40 -1.65 0.00 0.00 177.43 176.20 1oxs h ILE 103 N 0.98 1.55 0.00 2.81 2.04 -0.83 -3.17 117.51 120.89 1oxs h ILE 103 Ca 0.23 -2.67 -0.04 0.00 1.00 0.00 0.00 64.86 63.37 1oxs h ILE 103 Cb 0.24 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1oxs h ILE 103 CO -0.01 0.77 -0.21 0.00 0.00 0.00 0.00 178.15 178.69 1oxs h ALA 104 N 1.18 0.91 -0.59 1.87 0.00 -0.80 -3.37 119.26 118.46 1oxs h ALA 104 Ca -0.01 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1oxs h ALA 104 Cb 1.40 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1oxs h ALA 104 CO 0.11 0.26 -0.06 0.35 0.00 0.00 0.00 179.25 179.90 1oxs h PHE 105 N 0.00 -0.16 0.00 0.00 3.57 -1.32 0.59 116.94 119.62 1oxs h PHE 105 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1oxs h PHE 105 Cb 0.97 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1oxs h PHE 105 CO 0.00 -0.20 0.00 -2.30 -2.23 0.00 0.00 178.31 173.58 1oxs n PRO 106 N -5.33 0.16 0.00 6.41 -0.02 -1.26 -1.81 135.00 133.14 1oxs n PRO 106 Ca 0.07 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1oxs n PRO 106 Cb 0.33 -1.92 0.39 0.00 -0.02 0.00 0.00 33.50 32.27 1oxs n PRO 106 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1oxs n LEU 107 N -2.23 1.00 -0.31 2.45 4.77 0.20 -4.51 117.00 118.37 1oxs n LEU 107 Ca -0.00 -0.25 0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1oxs n LEU 107 Cb 0.10 -0.13 0.28 0.00 -2.33 0.00 0.00 43.42 41.34 1oxs n LEU 107 CO 0.13 0.19 1.08 0.74 -1.33 0.00 0.00 177.39 178.20 1oxs h THR 108 N 1.18 0.60 -0.17 -5.08 2.02 -1.36 -2.56 112.91 107.54 1oxs h THR 108 Ca 0.00 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 1oxs h THR 108 Cb 0.50 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1oxs h THR 108 CO 0.00 0.10 -0.26 0.59 0.37 0.00 0.00 175.52 176.31 1oxs n ASN 109 N -4.95 2.17 -1.70 4.18 3.02 -1.26 -4.69 115.26 112.04 1oxs n ASN 109 Ca 0.20 -3.76 0.01 0.00 -0.03 0.00 0.00 54.58 51.00 1oxs n ASN 109 Cb 0.56 -0.57 0.29 0.00 -0.61 0.00 0.00 39.78 39.45 1oxs n ASN 109 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1oxs n MET 110 N -1.12 3.72 -3.75 3.52 2.81 -0.97 -4.95 117.12 116.39 1oxs n MET 110 Ca 0.25 -2.51 -0.29 0.00 -1.81 0.00 0.00 57.70 53.34 1oxs n MET 110 Cb 0.85 -2.09 0.02 0.00 -0.71 0.00 0.00 33.22 31.29 1oxs n MET 110 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1oxs n LYS 111 N 0.24 -4.99 -4.20 0.03 5.02 -1.26 -4.99 118.16 107.99 1oxs n LYS 111 Ca 0.28 0.59 -0.33 0.00 -2.02 0.00 0.00 58.31 56.83 1oxs n LYS 111 Cb 1.10 -5.45 -0.08 0.00 -0.02 0.00 0.00 35.03 30.59 1oxs n LYS 111 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1oxs s MET 112 N -6.44 2.95 0.98 1.97 -1.94 -1.26 -5.12 119.30 110.43 1oxs s MET 112 Ca 0.59 -0.52 -0.13 0.00 -1.71 0.00 0.00 55.69 53.93 1oxs s MET 112 Cb -0.30 -2.78 0.18 0.00 2.01 0.00 0.00 34.83 33.94 1oxs s MET 112 CO 0.73 0.65 1.11 -1.54 -0.01 0.00 0.00 175.02 175.96 1oxs s SER 113 N -1.53 2.86 0.18 3.03 1.04 -1.26 -4.80 113.70 113.20 1oxs s SER 113 Ca 0.20 1.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.55 1oxs s SER 113 Cb -0.12 -1.67 0.08 0.00 0.10 0.00 0.00 66.02 64.41 1oxs s SER 113 CO 0.11 -2.97 1.83 0.50 0.98 0.00 0.00 173.24 173.69 1oxs h LYS 114 N -1.78 0.68 -0.48 4.02 3.64 -1.99 -0.41 116.57 120.24 1oxs h LYS 114 Ca -0.53 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 58.71 1oxs h LYS 114 Cb 1.33 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1oxs h LYS 114 CO 0.59 0.45 -0.09 0.93 -2.27 0.00 0.00 179.45 179.06 1oxs h GLU 115 N 0.70 0.87 -0.45 1.90 5.08 -1.99 -1.35 114.58 119.34 1oxs h GLU 115 Ca 0.20 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1oxs h GLU 115 Cb -0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1oxs h GLU 115 CO -0.06 0.93 0.21 0.93 -1.00 0.00 0.00 179.01 180.02 1oxs h GLU 116 N 0.79 0.65 -0.10 2.33 5.08 -1.77 -0.02 114.58 121.55 1oxs h GLU 116 Ca 0.13 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1oxs h GLU 116 Cb 0.60 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1oxs h GLU 116 CO 0.04 0.56 0.07 0.82 -1.00 0.00 0.00 179.01 179.50 1oxs h ILE 117 N 0.59 1.03 -0.15 3.13 2.04 -0.94 -1.87 117.51 121.33 1oxs h ILE 117 Ca 0.15 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1oxs h ILE 117 Cb 0.13 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1oxs h ILE 117 CO -0.02 0.03 0.03 -0.09 0.00 0.00 0.00 178.15 178.09 1oxs h ARG 118 N 0.13 0.08 -0.55 2.37 2.43 -1.01 -0.55 114.38 117.29 1oxs h ARG 118 Ca 0.04 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1oxs h ARG 118 Cb -0.01 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1oxs h ARG 118 CO -0.01 0.06 0.29 0.87 -1.51 0.00 0.00 179.97 179.67 1oxs h LYS 119 N 0.09 0.54 -0.30 0.20 1.57 -0.96 0.15 116.57 117.86 1oxs h LYS 119 Ca 0.07 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1oxs h LYS 119 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1oxs h LYS 119 CO -0.09 0.36 0.03 -0.09 -0.57 0.00 0.00 179.45 179.08 1oxs h ARG 120 N 0.55 0.51 -0.37 3.15 9.65 -0.95 -1.06 114.38 125.86 1oxs h ARG 120 Ca 0.24 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1oxs h ARG 120 Cb 0.14 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1oxs h ARG 120 CO -0.16 0.63 0.23 0.28 2.80 0.00 0.00 179.97 183.75 1oxs h VAL 121 N 0.32 1.12 -0.50 0.20 2.07 -0.90 -1.80 116.25 116.76 1oxs h VAL 121 Ca 0.09 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1oxs h VAL 121 Cb 0.38 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1oxs h VAL 121 CO 0.01 0.12 0.04 -0.33 0.02 0.00 0.00 177.57 177.42 1oxs h GLU 122 N 0.49 0.81 -0.16 1.57 5.08 -0.86 -0.02 114.58 121.48 1oxs h GLU 122 Ca 0.13 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1oxs h GLU 122 Cb -0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1oxs h GLU 122 CO -0.03 0.79 0.02 1.49 -1.00 0.00 0.00 179.01 180.29 1oxs h GLU 123 N 0.76 0.27 -0.64 2.33 4.81 -0.89 0.57 114.58 121.80 1oxs h GLU 123 Ca 0.15 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1oxs h GLU 123 Cb 0.41 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1oxs h GLU 123 CO 0.01 0.45 0.08 0.28 -0.73 0.00 0.00 179.01 179.11 1oxs h VAL 124 N 0.06 1.26 -0.42 0.32 2.07 -1.18 -2.09 116.25 116.27 1oxs h VAL 124 Ca 0.05 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1oxs h VAL 124 Cb 0.31 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1oxs h VAL 124 CO 0.00 0.39 -0.05 0.00 0.02 0.00 0.00 177.57 177.93 1oxs h ALA 125 N 1.03 1.13 -0.41 1.67 0.00 -0.76 -1.27 119.26 120.65 1oxs h ALA 125 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1oxs h ALA 125 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1oxs h ALA 125 CO 0.02 0.55 0.20 0.87 0.00 0.00 0.00 179.25 180.88 1oxs h LYS 126 N 0.66 0.59 -0.58 0.00 1.57 -0.61 -0.24 116.57 117.95 1oxs h LYS 126 Ca 0.12 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1oxs h LYS 126 Cb 0.48 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1oxs h LYS 126 CO 0.02 0.51 0.23 0.82 -0.57 0.00 0.00 179.45 180.47 1oxs h ILE 127 N 0.52 1.21 -0.36 1.86 2.04 -0.98 -2.08 117.51 119.72 1oxs h ILE 127 Ca 0.14 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1oxs h ILE 127 Cb 0.12 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1oxs h ILE 127 CO -0.02 0.26 0.00 0.18 0.00 0.00 0.00 178.15 178.57 1oxs n LEU 128 N -4.33 2.34 -3.65 1.44 4.77 -0.51 -4.95 117.00 112.10 1oxs n LEU 128 Ca 0.05 -1.10 -0.24 0.00 -0.03 0.00 0.00 56.01 54.69 1oxs n LEU 128 Cb 0.16 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1oxs n LEU 128 CO 0.39 0.55 0.16 -0.67 -1.33 0.00 0.00 177.39 176.48 1oxs n ASP 129 N 0.76 -4.69 -0.16 -1.43 2.03 -0.26 -4.88 116.55 107.92 1oxs n ASP 129 Ca 0.16 -0.64 0.03 0.00 0.52 0.00 0.00 54.79 54.87 1oxs n ASP 129 Cb 0.40 -4.69 0.05 0.00 -0.72 0.00 0.00 41.12 36.15 1oxs n ASP 129 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1oxs n ILE 130 N -4.70 0.86 0.18 5.18 -5.35 -0.29 -4.81 119.36 110.44 1oxs n ILE 130 Ca -0.07 -0.99 0.07 0.00 -0.27 0.00 0.00 62.75 61.50 1oxs n ILE 130 Cb 0.58 0.33 0.59 0.00 -1.74 0.00 0.00 39.64 39.40 1oxs n ILE 130 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 1oxs h HIS 131 N 0.00 0.13 -0.00 4.28 2.76 -1.84 -2.18 115.15 118.30 1oxs h HIS 131 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1oxs h HIS 131 Cb 1.01 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.92 1oxs h HIS 131 CO 0.03 0.08 -0.01 -2.39 -1.30 0.00 0.00 177.93 174.34 1oxs n HIS 132 N -4.52 0.00 -1.13 5.26 1.44 -1.26 -3.05 115.22 111.96 1oxs n HIS 132 Ca -0.01 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 1oxs n HIS 132 Cb 0.10 -0.34 0.14 0.00 0.12 0.00 0.00 29.99 30.01 1oxs n HIS 132 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1oxs n VAL 133 N -1.34 1.87 0.17 0.61 0.24 -0.83 -4.78 118.33 114.27 1oxs n VAL 133 Ca 0.12 -2.29 0.09 0.00 -2.04 0.00 0.00 64.34 60.22 1oxs n VAL 133 Cb 0.27 -0.22 0.60 0.00 -1.47 0.00 0.00 33.84 33.02 1oxs n VAL 133 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1oxs h LEU 134 N 0.07 0.10 -0.16 1.34 3.38 -1.50 -2.11 115.31 116.44 1oxs h LEU 134 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oxs h LEU 134 Cb 1.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1oxs h LEU 134 CO 0.00 0.07 -0.04 0.59 0.09 0.00 0.00 178.44 179.15 1oxs n ASN 135 N -4.51 0.29 -4.78 -0.43 4.13 -1.26 -1.29 115.26 107.41 1oxs n ASN 135 Ca 0.00 -0.64 -0.37 0.00 1.68 0.00 0.00 54.58 55.25 1oxs n ASN 135 Cb 0.16 -0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.23 1oxs n ASN 135 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1oxs s HIS 136 N -2.34 3.67 0.62 3.10 3.76 -0.79 -4.76 115.29 118.55 1oxs s HIS 136 Ca 0.35 1.77 -0.14 0.00 -0.15 0.00 0.00 55.06 56.89 1oxs s HIS 136 Cb 0.21 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 1oxs s HIS 136 CO 0.43 0.17 1.05 -0.06 -0.85 0.00 0.00 174.74 175.48 1oxs s PHE 137 N -1.63 3.12 0.39 1.40 0.40 -1.26 -0.59 117.98 119.81 1oxs s PHE 137 Ca 0.51 1.46 0.14 0.00 -0.60 0.00 0.00 56.93 58.44 1oxs s PHE 137 Cb -0.19 -2.92 0.99 0.00 0.51 0.00 0.00 43.02 41.41 1oxs s PHE 137 CO 0.24 -1.04 1.83 -1.35 0.70 0.00 0.00 175.22 175.60 1oxs h PRO 138 N 0.04 0.49 0.00 0.24 0.11 -1.77 -1.05 132.00 130.06 1oxs h PRO 138 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1oxs h PRO 138 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1oxs h PRO 138 CO 0.58 0.33 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.54 1oxs h ARG 139 N 0.51 0.00 -0.14 1.05 2.43 -1.93 -2.16 114.38 114.14 1oxs h ARG 139 Ca 0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1oxs h ARG 139 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1oxs h ARG 139 CO -0.23 0.07 0.00 0.39 -1.51 0.00 0.00 179.97 178.69 1oxs n GLU 140 N -3.87 1.84 -3.53 0.20 4.71 -0.40 -4.87 120.64 114.72 1oxs n GLU 140 Ca -0.02 -1.25 -0.34 0.00 -0.01 0.00 0.00 57.16 55.53 1oxs n GLU 140 Cb 0.16 -1.44 -0.05 0.00 -1.01 0.00 0.00 31.44 29.10 1oxs n GLU 140 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1oxs s LEU 141 N -1.70 4.32 1.07 -4.62 1.43 -0.82 -4.98 118.68 113.39 1oxs s LEU 141 Ca 0.34 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 1oxs s LEU 141 Cb 0.19 -3.12 0.23 0.00 0.03 0.00 0.00 46.19 43.52 1oxs s LEU 141 CO 0.29 0.13 1.08 -0.94 0.23 0.00 0.00 176.35 177.13 1oxs s SER 142 N -1.86 1.94 0.20 2.29 1.04 -1.26 -4.78 113.70 111.27 1oxs s SER 142 Ca 0.36 1.18 -0.11 0.00 0.48 0.00 0.00 55.95 57.86 1oxs s SER 142 Cb -0.14 -1.84 0.19 0.00 0.10 0.00 0.00 66.02 64.34 1oxs s SER 142 CO 0.19 -3.56 1.82 1.23 0.98 0.00 0.00 173.24 173.90 1oxs h GLY 143 N -2.19 0.92 1.07 7.32 0.00 -1.98 0.43 103.07 108.64 1oxs h GLY 143 Ca -0.56 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 1oxs h GLY 143 CO 0.54 0.20 0.07 -1.33 0.00 0.00 0.00 176.54 176.02 1oxs h GLY 144 N 0.71 1.16 1.16 4.60 0.00 -1.98 -1.05 103.07 107.67 1oxs h GLY 144 Ca 0.27 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1oxs h GLY 144 CO -0.14 0.74 -0.01 1.46 0.00 0.00 0.00 176.54 178.58 1oxs h GLN 145 N 0.99 1.01 -0.63 4.80 4.20 -1.80 -1.49 115.11 122.19 1oxs h GLN 145 Ca 0.19 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1oxs h GLN 145 Cb 0.48 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1oxs h GLN 145 CO 0.02 0.99 0.31 1.96 -0.67 0.00 0.00 178.83 181.45 1oxs h GLN 146 N 0.92 0.89 -0.67 1.46 4.20 -0.64 0.37 115.11 121.65 1oxs h GLN 146 Ca 0.16 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1oxs h GLN 146 Cb 0.55 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1oxs h GLN 146 CO 0.03 0.70 0.41 0.37 -0.67 0.00 0.00 178.83 179.67 1oxs h GLN 147 N 0.86 0.77 -0.42 1.46 5.75 -0.93 -0.76 115.11 121.83 1oxs h GLN 147 Ca 0.22 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.55 1oxs h GLN 147 Cb 0.09 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1oxs h GLN 147 CO -0.03 0.51 -0.23 0.00 -2.65 0.00 0.00 178.83 176.43 1oxs h ARG 148 N 0.79 0.85 -0.56 1.69 3.08 -0.80 -0.51 114.38 118.92 1oxs h ARG 148 Ca 0.28 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1oxs h ARG 148 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1oxs h ARG 148 CO -0.12 0.99 0.00 0.28 -1.07 0.00 0.00 179.97 180.05 1oxs h VAL 149 N 0.74 1.26 -0.68 2.04 2.07 -0.60 0.64 116.25 121.72 1oxs h VAL 149 Ca 0.10 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1oxs h VAL 149 Cb 0.76 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1oxs h VAL 149 CO 0.06 0.40 0.31 0.00 0.02 0.00 0.00 177.57 178.36 1oxs h ALA 150 N 0.96 0.88 -0.49 1.67 0.00 -0.94 0.68 119.26 122.03 1oxs h ALA 150 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1oxs h ALA 150 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1oxs h ALA 150 CO 0.03 0.46 -0.06 1.25 0.00 0.00 0.00 179.25 180.93 1oxs h LEU 151 N 0.96 0.85 -0.53 0.00 5.85 -0.82 -1.96 115.31 119.66 1oxs h LEU 151 Ca 0.23 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1oxs h LEU 151 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1oxs h LEU 151 CO -0.03 0.95 0.29 0.00 -0.34 0.00 0.00 178.44 179.32 1oxs h ALA 152 N 1.13 0.67 -0.99 1.25 0.00 -0.44 -0.66 119.26 120.22 1oxs h ALA 152 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1oxs h ALA 152 Cb 0.57 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1oxs h ALA 152 CO 0.03 0.19 0.64 -0.09 0.00 0.00 0.00 179.25 180.03 1oxs h ARG 153 N 0.70 1.19 0.00 0.00 2.43 -0.68 -1.52 114.38 116.51 1oxs h ARG 153 Ca 0.19 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1oxs h ARG 153 Cb 0.04 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1oxs h ARG 153 CO -0.03 0.79 -0.19 0.00 -1.51 0.00 0.00 179.97 179.03 1oxs h ALA 154 N 1.42 1.10 -0.02 2.80 0.00 -0.57 -3.22 119.26 120.78 1oxs h ALA 154 Ca 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1oxs h ALA 154 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1oxs h ALA 154 CO -0.14 0.24 -0.35 1.28 0.00 0.00 0.00 179.25 180.28 1oxs n LEU 155 N -3.47 2.12 0.17 0.00 4.77 -0.33 -4.10 117.00 116.16 1oxs n LEU 155 Ca -0.01 -0.81 0.02 0.00 -0.03 0.00 0.00 56.01 55.19 1oxs n LEU 155 Cb 0.36 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.83 1oxs n LEU 155 CO 0.32 0.39 0.79 1.62 -1.33 0.00 0.00 177.39 179.17 1oxs h VAL 156 N 2.70 1.23 -0.42 4.08 3.04 -1.32 -1.24 116.25 124.32 1oxs h VAL 156 Ca 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 1oxs h VAL 156 Cb 0.75 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1oxs h VAL 156 CO 0.00 0.31 0.00 0.29 -1.01 0.00 0.00 177.57 177.16 1oxs n LYS 157 N -4.17 2.28 -3.25 4.17 5.02 -1.26 -4.97 118.16 115.98 1oxs n LYS 157 Ca -0.02 -1.65 -0.09 0.00 -2.02 0.00 0.00 58.31 54.53 1oxs n LYS 157 Cb 0.35 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1oxs n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1oxs n ASP 158 N 0.71 -6.98 -4.82 4.39 2.03 -0.47 -4.97 116.55 106.45 1oxs n ASP 158 Ca 0.15 -0.41 -0.30 0.00 0.52 0.00 0.00 54.79 54.75 1oxs n ASP 158 Cb 0.46 -4.70 0.07 0.00 -0.72 0.00 0.00 41.12 36.22 1oxs n ASP 158 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1oxs s PRO 159 N -3.83 2.57 0.05 -0.67 0.04 -1.26 -4.98 135.00 126.92 1oxs s PRO 159 Ca 0.15 0.74 0.22 0.00 0.04 0.00 0.00 61.00 62.16 1oxs s PRO 159 Cb -0.03 -1.97 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 1oxs s PRO 159 CO 0.78 -1.30 0.76 0.43 0.04 0.00 0.00 177.00 177.70 1oxs n SER 160 N -3.23 0.40 -3.77 6.66 7.64 0.61 -4.90 113.62 117.03 1oxs n SER 160 Ca 0.07 -0.02 -0.17 0.00 1.01 0.00 0.00 58.87 59.76 1oxs n SER 160 Cb 0.55 1.30 -0.17 0.00 -1.01 0.00 0.00 64.21 64.89 1oxs n SER 160 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1oxs s LEU 161 N -4.52 0.92 -0.17 -3.43 2.96 -0.98 -1.75 118.68 111.70 1oxs s LEU 161 Ca -0.03 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1oxs s LEU 161 Cb 0.13 -0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.64 1oxs s LEU 161 CO 0.86 -0.14 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.41 1oxs s LEU 162 N 1.30 2.68 -0.19 -0.68 2.96 -0.26 -1.08 118.68 123.41 1oxs s LEU 162 Ca -0.06 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1oxs s LEU 162 Cb -0.13 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1oxs s LEU 162 CO -0.03 0.06 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.23 1oxs s LEU 163 N 0.96 2.81 -0.17 -0.68 1.43 0.07 -1.40 118.68 121.70 1oxs s LEU 163 Ca -0.02 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1oxs s LEU 163 Cb -0.15 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1oxs s LEU 163 CO -0.01 0.03 -0.19 -0.76 0.23 0.00 0.00 176.35 175.65 1oxs s LEU 164 N 1.15 2.06 -0.28 1.79 1.43 0.14 -0.99 118.68 123.99 1oxs s LEU 164 Ca 0.02 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1oxs s LEU 164 Cb -0.14 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.72 1oxs s LEU 164 CO -0.02 -0.00 -0.07 -0.62 0.23 0.00 0.00 176.35 175.87 1oxs s ASP 165 N 1.28 4.52 -1.36 2.29 -1.08 -0.34 -1.23 116.67 120.75 1oxs s ASP 165 Ca 0.04 -1.58 -0.04 0.00 -0.52 0.00 0.00 52.55 50.45 1oxs s ASP 165 Cb -0.13 -1.57 -0.00 0.00 -1.46 0.00 0.00 42.92 39.76 1oxs s ASP 165 CO -0.12 -0.23 0.49 -0.62 0.52 0.00 0.00 175.17 175.21 1oxs n GLU 166 N 4.39 -3.00 0.19 4.34 -0.58 -0.59 -1.27 120.64 124.12 1oxs n GLU 166 Ca -0.10 0.42 0.14 0.00 -0.42 0.00 0.00 57.16 57.20 1oxs n GLU 166 Cb 0.42 -4.45 0.56 0.00 -0.57 0.00 0.00 31.44 27.40 1oxs n GLU 166 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1oxs h PRO 167 N -1.87 0.00 -0.22 3.49 0.13 -1.82 -3.03 132.00 128.68 1oxs h PRO 167 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1oxs h PRO 167 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1oxs h PRO 167 CO 0.60 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.56 1oxs n PHE 168 N -2.60 0.29 0.48 1.56 0.99 -1.26 -4.70 117.46 112.22 1oxs n PHE 168 Ca 0.02 -0.41 0.11 0.00 -0.00 0.00 0.00 57.45 57.17 1oxs n PHE 168 Cb 0.27 -0.03 0.46 0.00 -1.00 0.00 0.00 39.48 39.18 1oxs n PHE 168 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1oxs n SER 169 N 0.30 0.57 0.05 4.37 7.64 -1.14 -1.84 113.62 123.57 1oxs n SER 169 Ca 0.08 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.70 1oxs n SER 169 Cb 0.35 -0.75 0.23 0.00 -1.01 0.00 0.00 64.21 63.04 1oxs n SER 169 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1oxs n ASN 170 N -2.10 0.64 -4.85 6.43 3.02 -1.26 -4.92 115.26 112.21 1oxs n ASN 170 Ca 0.03 0.13 -0.33 0.00 -0.03 0.00 0.00 54.58 54.38 1oxs n ASN 170 Cb 0.26 0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.41 1oxs n ASN 170 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1oxs s LEU 171 N -4.00 4.11 0.48 3.41 1.43 -0.77 -5.05 118.68 118.31 1oxs s LEU 171 Ca 0.08 1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 54.18 1oxs s LEU 171 Cb 0.14 -3.96 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 1oxs s LEU 171 CO 0.69 -0.16 1.34 -0.67 0.23 0.00 0.00 176.35 177.79 1oxs n ASP 172 N -0.20 2.76 -0.30 2.29 2.03 -1.26 -4.85 116.55 117.02 1oxs n ASP 172 Ca 0.02 1.05 0.16 0.00 0.52 0.00 0.00 54.79 56.54 1oxs n ASP 172 Cb 0.53 -1.55 0.41 0.00 -0.72 0.00 0.00 41.12 39.79 1oxs n ASP 172 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oxs h ALA 173 N 1.84 1.94 0.00 -1.67 0.00 -1.96 0.64 119.26 120.05 1oxs h ALA 173 Ca -0.50 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1oxs h ALA 173 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1oxs h ALA 173 CO 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.55 1oxs h ARG 174 N 0.60 0.00 -0.01 0.00 3.08 -2.02 -2.60 114.38 113.43 1oxs h ARG 174 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1oxs h ARG 174 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1oxs h ARG 174 CO -0.26 0.03 -0.50 -1.33 -1.07 0.00 0.00 179.97 176.83 1oxs n MET 175 N -3.17 0.80 0.16 0.04 2.81 0.21 -4.46 117.12 113.50 1oxs n MET 175 Ca -0.01 -0.60 0.01 0.00 -1.81 0.00 0.00 57.70 55.29 1oxs n MET 175 Cb 0.24 -1.49 0.24 0.00 -0.71 0.00 0.00 33.22 31.50 1oxs n MET 175 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1oxs h ARG 176 N 1.47 0.00 -0.33 0.03 3.08 -1.37 -2.52 114.38 114.74 1oxs h ARG 176 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1oxs h ARG 176 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1oxs h ARG 176 CO 0.00 0.53 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.70 1oxs h ASP 177 N 0.00 0.71 -0.44 7.04 3.32 -1.78 -0.15 116.42 125.12 1oxs h ASP 177 Ca -0.01 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.67 1oxs h ASP 177 Cb 1.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1oxs h ASP 177 CO 0.07 0.96 -0.10 0.77 -1.72 0.00 0.00 179.24 179.21 1oxs h SER 178 N 0.59 0.86 -0.75 6.45 4.64 -1.81 -1.20 113.55 122.33 1oxs h SER 178 Ca 0.07 -0.36 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1oxs h SER 178 Cb 0.79 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1oxs h SER 178 CO 0.06 1.02 0.24 0.00 -0.87 0.00 0.00 176.83 177.29 1oxs h ALA 179 N 0.87 0.98 -0.73 5.18 0.00 -1.20 -1.31 119.26 123.06 1oxs h ALA 179 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1oxs h ALA 179 Cb 0.64 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1oxs h ALA 179 CO 0.04 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.17 1oxs h ARG 180 N 1.11 1.14 -0.60 0.00 3.08 -0.70 -2.14 114.38 116.27 1oxs h ARG 180 Ca 0.24 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1oxs h ARG 180 Cb 0.30 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1oxs h ARG 180 CO -0.01 0.98 0.09 0.00 -1.07 0.00 0.00 179.97 179.95 1oxs h ALA 181 N 1.11 1.02 -0.26 0.04 0.00 -0.94 -1.51 119.26 118.72 1oxs h ALA 181 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1oxs h ALA 181 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1oxs h ALA 181 CO -0.01 0.62 0.13 1.25 0.00 0.00 0.00 179.25 181.25 1oxs h LEU 182 N 0.92 0.34 -1.07 0.00 5.85 -0.95 -1.47 115.31 118.93 1oxs h LEU 182 Ca 0.18 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1oxs h LEU 182 Cb 0.41 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1oxs h LEU 182 CO 0.01 0.36 0.55 0.58 -0.34 0.00 0.00 178.44 179.60 1oxs h VAL 183 N 0.30 1.24 -0.31 1.05 2.07 -1.08 -0.27 116.25 119.24 1oxs h VAL 183 Ca 0.09 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1oxs h VAL 183 Cb 0.11 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1oxs h VAL 183 CO -0.01 0.24 0.20 0.50 0.02 0.00 0.00 177.57 178.52 1oxs h LYS 184 N 1.20 0.42 -0.09 1.57 3.64 -0.93 -0.83 116.57 121.54 1oxs h LYS 184 Ca 0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1oxs h LYS 184 Cb -0.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1oxs h LYS 184 CO -0.06 0.29 0.05 0.93 -2.27 0.00 0.00 179.45 178.39 1oxs h GLU 185 N 0.41 0.11 -0.22 1.90 5.08 -0.75 -1.60 114.58 119.52 1oxs h GLU 185 Ca 0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1oxs h GLU 185 Cb -0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1oxs h GLU 185 CO -0.02 0.07 0.12 0.28 -1.00 0.00 0.00 179.01 178.46 1oxs h VAL 186 N 0.11 1.02 -0.89 3.13 2.07 -0.91 -1.31 116.25 119.48 1oxs h VAL 186 Ca 0.04 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1oxs h VAL 186 Cb -0.00 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1oxs h VAL 186 CO -0.02 0.05 0.58 -0.61 0.02 0.00 0.00 177.57 177.59 1oxs h GLN 187 N 0.26 1.09 -0.57 1.57 -0.00 -0.99 -0.70 115.11 115.77 1oxs h GLN 187 Ca 0.09 -0.07 -0.10 0.00 -0.00 0.00 0.00 58.65 58.57 1oxs h GLN 187 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 27.48 27.21 1oxs h GLN 187 CO -0.04 0.72 -0.04 0.66 0.00 0.00 0.00 178.83 180.12 1oxs h SER 188 N 1.12 1.01 -0.40 -0.69 4.64 -1.09 0.34 113.55 118.47 1oxs h SER 188 Ca 0.35 -0.30 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 1oxs h SER 188 Cb -0.00 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1oxs h SER 188 CO -0.12 1.08 -0.29 -0.09 -0.87 0.00 0.00 176.83 176.55 1oxs h ARG 189 N 0.92 0.93 0.00 4.77 2.43 -0.77 -3.29 114.38 119.38 1oxs h ARG 189 Ca 0.16 -0.43 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 1oxs h ARG 189 Cb 0.60 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1oxs h ARG 189 CO 0.04 1.09 -1.69 1.28 -1.51 0.00 0.00 179.97 179.18 1oxs n LEU 190 N -4.09 0.35 -0.63 3.80 4.77 -0.31 -4.98 117.00 115.92 1oxs n LEU 190 Ca -0.01 0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1oxs n LEU 190 Cb 0.49 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1oxs n LEU 190 CO 0.47 0.02 -0.08 0.61 -1.33 0.00 0.00 177.39 177.09 1oxs n GLY 191 N 1.31 1.00 3.77 -0.72 0.00 0.12 -4.93 105.19 105.74 1oxs n GLY 191 Ca -0.07 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1oxs n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oxs s VAL 192 N -2.26 2.96 0.47 1.61 -7.23 -1.24 -2.36 120.40 112.34 1oxs s VAL 192 Ca 0.00 0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 60.64 1oxs s VAL 192 Cb 0.00 -3.35 -0.07 0.00 0.56 0.00 0.00 36.38 33.52 1oxs s VAL 192 CO 0.00 -0.03 1.31 -0.89 -0.31 0.00 0.00 175.10 175.18 1oxs s THR 193 N -1.54 2.47 -0.03 5.32 2.01 -0.72 -4.50 115.64 118.64 1oxs s THR 193 Ca 0.66 0.38 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1oxs s THR 193 Cb -0.30 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1oxs s THR 193 CO 0.35 0.02 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.09 1oxs s LEU 194 N -2.96 1.10 -0.10 4.42 0.20 -0.30 -1.10 118.68 119.95 1oxs s LEU 194 Ca 0.64 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 55.46 1oxs s LEU 194 Cb -0.38 -0.25 0.00 0.00 -0.43 0.00 0.00 46.19 45.14 1oxs s LEU 194 CO 0.47 -0.11 -0.22 -0.22 -0.29 0.00 0.00 176.35 175.97 1oxs s LEU 195 N 1.12 2.03 -0.07 -0.68 2.96 -0.49 -0.67 118.68 122.88 1oxs s LEU 195 Ca -0.08 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 1oxs s LEU 195 Cb -0.13 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.22 1oxs s LEU 195 CO -0.02 0.14 -0.14 0.54 -1.32 0.00 0.00 176.35 175.54 1oxs s VAL 196 N 0.42 1.30 -0.04 1.68 0.11 -0.48 -0.68 120.40 122.71 1oxs s VAL 196 Ca -0.17 -0.58 0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1oxs s VAL 196 Cb -0.18 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 1oxs s VAL 196 CO 0.07 0.39 -0.21 0.68 -3.33 0.00 0.00 175.10 172.70 1oxs s VAL 197 N 0.54 2.43 -0.03 2.04 -7.23 -0.37 -0.73 120.40 117.06 1oxs s VAL 197 Ca -0.14 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 1oxs s VAL 197 Cb -0.16 -1.89 0.09 0.00 0.56 0.00 0.00 36.38 34.98 1oxs s VAL 197 CO 0.04 0.58 0.80 -0.55 -0.31 0.00 0.00 175.10 175.66 1oxs s SER 198 N -0.56 -0.50 0.19 4.85 0.15 -1.12 -1.55 113.70 115.17 1oxs s SER 198 Ca 0.08 0.32 0.25 0.00 0.70 0.00 0.00 55.95 57.31 1oxs s SER 198 Cb -0.11 0.45 0.59 0.00 -1.71 0.00 0.00 66.02 65.24 1oxs s SER 198 CO 0.00 -0.61 1.58 1.12 1.20 0.00 0.00 173.24 176.53 1oxs h HIS 199 N 2.45 0.00 -3.73 3.44 2.07 -1.88 -3.40 115.15 114.11 1oxs h HIS 199 Ca -0.25 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.61 1oxs h HIS 199 Cb 1.20 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 30.98 1oxs h HIS 199 CO 0.30 0.00 -0.54 0.34 -3.07 0.00 0.00 177.93 174.96 1oxs s ASP 200 N -4.57 5.72 0.56 3.10 -1.08 -1.26 -4.95 116.67 114.20 1oxs s ASP 200 Ca 0.09 -0.33 0.24 0.00 -0.52 0.00 0.00 52.55 52.03 1oxs s ASP 200 Cb 0.12 -2.05 1.61 0.00 -1.46 0.00 0.00 42.92 41.14 1oxs s ASP 200 CO 0.65 -0.15 2.21 -0.65 0.52 0.00 0.00 175.17 177.76 1oxs h PRO 201 N 8.37 0.00 -0.23 4.34 0.11 -1.88 -2.39 132.00 140.32 1oxs h PRO 201 Ca -0.34 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.80 1oxs h PRO 201 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1oxs h PRO 201 CO 0.60 0.00 0.15 0.00 -0.21 0.00 0.00 178.00 178.54 1oxs h ALA 202 N 2.00 1.99 -0.28 -0.75 0.00 -1.93 0.10 119.26 120.38 1oxs h ALA 202 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1oxs h ALA 202 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1oxs h ALA 202 CO 0.00 -0.02 -0.06 -0.44 0.00 0.00 0.00 179.25 178.72 1oxs h ASP 203 N 0.18 0.55 -0.37 0.00 3.45 -1.86 -1.68 116.42 116.70 1oxs h ASP 203 Ca 0.10 -0.36 -0.07 0.00 0.43 0.00 0.00 57.03 57.13 1oxs h ASP 203 Cb 0.16 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1oxs h ASP 203 CO -0.02 0.78 -0.03 0.40 -1.57 0.00 0.00 179.24 178.81 1oxs h ILE 204 N 0.31 1.27 -0.65 0.35 5.03 -1.29 -2.00 117.51 120.52 1oxs h ILE 204 Ca 0.07 -1.04 -0.01 0.00 -0.12 0.00 0.00 64.86 63.76 1oxs h ILE 204 Cb 0.54 1.21 -0.03 0.00 -3.03 0.00 0.00 36.82 35.51 1oxs h ILE 204 CO 0.03 0.35 0.37 -0.26 -0.68 0.00 0.00 178.15 177.95 1oxs h PHE 205 N 0.48 0.86 -0.04 1.37 -1.00 -1.04 0.21 116.94 117.78 1oxs h PHE 205 Ca 0.10 -0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.71 1oxs h PHE 205 Cb 0.51 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1oxs h PHE 205 CO 0.04 0.59 -0.72 0.00 -1.61 0.00 0.00 178.31 176.62 1oxs h ALA 206 N 1.51 0.70 0.00 2.45 0.00 -1.14 -3.40 119.26 119.38 1oxs h ALA 206 Ca 0.23 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1oxs h ALA 206 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1oxs h ALA 206 CO -0.04 0.80 -1.12 -0.89 0.00 0.00 0.00 179.25 177.99 1oxs n ILE 207 N -3.79 0.12 -3.45 0.00 5.41 -0.77 -4.96 119.36 111.92 1oxs n ILE 207 Ca -0.03 -0.07 -0.37 0.00 1.00 0.00 0.00 62.75 63.28 1oxs n ILE 207 Cb 0.69 -0.88 -0.06 0.00 -0.71 0.00 0.00 39.64 38.69 1oxs n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1oxs s ALA 208 N -2.04 3.66 -0.20 -1.39 0.00 0.73 -4.84 121.76 117.68 1oxs s ALA 208 Ca -0.01 -0.20 0.22 0.00 0.00 0.00 0.00 51.96 51.97 1oxs s ALA 208 Cb 0.01 -2.43 -0.17 0.00 0.00 0.00 0.00 23.12 20.53 1oxs s ALA 208 CO 0.07 0.48 0.75 -0.25 0.00 0.00 0.00 175.76 176.82 1oxs n ASP 209 N 1.31 0.39 -3.89 0.00 8.00 0.11 -4.77 116.55 117.70 1oxs n ASP 209 Ca -0.10 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.35 1oxs n ASP 209 Cb 0.52 1.29 -0.13 0.00 -0.02 0.00 0.00 41.12 42.78 1oxs n ASP 209 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1oxs s ARG 210 N -3.41 0.12 0.02 -1.24 3.52 -1.14 -4.34 118.95 112.48 1oxs s ARG 210 Ca -0.04 -0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.44 1oxs s ARG 210 Cb 0.13 0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 1oxs s ARG 210 CO 0.85 -0.02 -0.07 0.08 -0.81 0.00 0.00 175.30 175.33 1oxs s VAL 211 N -0.41 0.53 0.06 7.11 1.01 0.75 -1.05 120.40 128.39 1oxs s VAL 211 Ca -0.05 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1oxs s VAL 211 Cb -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1oxs s VAL 211 CO -0.00 -0.07 -0.09 -0.83 0.00 0.00 0.00 175.10 174.11 1oxs s GLY 212 N -0.72 1.76 -0.18 4.51 0.00 -0.08 -1.35 107.32 111.25 1oxs s GLY 212 Ca -0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 44.72 43.53 1oxs s GLY 212 CO 0.00 -1.08 -0.10 0.14 0.00 0.00 0.00 173.10 172.06 1oxs s VAL 213 N -1.11 3.06 -0.25 1.40 1.01 -0.52 -1.49 120.40 122.49 1oxs s VAL 213 Ca 0.19 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1oxs s VAL 213 Cb -0.11 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1oxs s VAL 213 CO 0.11 0.48 0.12 -0.22 0.00 0.00 0.00 175.10 175.59 1oxs s LEU 214 N 1.00 3.75 -0.08 3.92 2.96 -0.19 -0.72 118.68 129.34 1oxs s LEU 214 Ca -0.01 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1oxs s LEU 214 Cb -0.15 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.55 1oxs s LEU 214 CO -0.01 -0.01 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.29 1oxs s VAL 215 N 1.47 0.63 -1.46 1.68 1.01 -0.13 -3.74 120.40 119.87 1oxs s VAL 215 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1oxs s VAL 215 Cb -0.15 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.58 1oxs s VAL 215 CO 0.06 0.29 0.80 0.29 0.00 0.00 0.00 175.10 176.54 1oxs n LYS 216 N 4.79 -5.19 -0.86 2.72 5.02 -1.26 -1.01 118.16 122.36 1oxs n LYS 216 Ca -0.13 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1oxs n LYS 216 Cb 0.50 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 1oxs n LYS 216 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oxs n GLY 217 N -1.57 1.07 3.55 0.72 0.00 -1.26 -4.79 105.19 102.91 1oxs n GLY 217 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1oxs n GLY 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxs s LYS 218 N -0.08 2.61 -0.53 1.61 1.02 -0.18 -0.55 119.74 123.64 1oxs s LYS 218 Ca 0.00 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.07 1oxs s LYS 218 Cb 0.00 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 1oxs s LYS 218 CO 0.00 0.64 1.10 -1.17 -0.92 0.00 0.00 175.35 175.00 1oxs s LEU 219 N -0.93 3.68 0.10 3.17 2.96 -1.26 -0.95 118.68 125.44 1oxs s LEU 219 Ca 0.13 0.16 0.22 0.00 -0.22 0.00 0.00 54.13 54.43 1oxs s LEU 219 Cb -0.11 -3.25 -0.15 0.00 0.50 0.00 0.00 46.19 43.18 1oxs s LEU 219 CO 0.02 -1.31 0.79 1.33 -1.32 0.00 0.00 176.35 175.87 1oxs n VAL 220 N 6.63 0.33 -3.58 1.68 0.24 0.10 -4.94 118.33 118.81 1oxs n VAL 220 Ca 0.08 -0.52 -0.15 0.00 -2.04 0.00 0.00 64.34 61.72 1oxs n VAL 220 Cb 0.49 -0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.62 1oxs n VAL 220 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1oxs s GLN 221 N -3.43 0.87 -0.02 7.34 0.74 -1.25 -4.97 119.66 118.94 1oxs s GLN 221 Ca -0.04 0.54 -0.01 0.00 0.05 0.00 0.00 55.36 55.91 1oxs s GLN 221 Cb 0.12 0.42 0.02 0.00 1.10 0.00 0.00 33.01 34.66 1oxs s GLN 221 CO 0.84 -0.20 0.04 0.08 -0.55 0.00 0.00 175.29 175.50 1oxs s VAL 222 N -0.48 -0.03 -1.31 1.34 1.01 -1.26 -1.44 120.40 118.23 1oxs s VAL 222 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1oxs s VAL 222 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.28 1oxs s VAL 222 CO 0.04 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1oxs n GLY 223 N 3.67 -1.38 3.77 4.51 0.00 -0.46 -4.98 105.19 110.32 1oxs n GLY 223 Ca -0.20 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1oxs n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxs s LYS 224 N -1.04 3.90 0.25 1.61 1.02 -1.26 -0.18 119.74 124.03 1oxs s LYS 224 Ca 0.00 2.13 -0.03 0.00 0.02 0.00 0.00 55.97 58.09 1oxs s LYS 224 Cb 0.00 -2.69 0.50 0.00 -0.52 0.00 0.00 37.83 35.12 1oxs s LYS 224 CO 0.00 -0.54 1.71 -1.35 -0.92 0.00 0.00 175.35 174.24 1oxs h PRO 225 N 2.54 0.37 0.00 -1.68 0.11 -1.86 -0.71 132.00 130.77 1oxs h PRO 225 Ca -0.50 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1oxs h PRO 225 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1oxs h PRO 225 CO 0.62 0.24 -0.30 0.93 -0.21 0.00 0.00 178.00 179.28 1oxs h GLU 226 N 0.38 0.00 -0.12 1.05 5.08 -1.95 -0.80 114.58 118.22 1oxs h GLU 226 Ca 0.44 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.67 1oxs h GLU 226 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1oxs h GLU 226 CO -0.46 0.30 -0.44 -0.44 -1.00 0.00 0.00 179.01 176.97 1oxs h ASP 227 N 0.00 0.60 -0.65 1.42 3.32 -1.52 -1.60 116.42 117.99 1oxs h ASP 227 Ca -0.00 -0.61 -0.01 0.00 0.02 0.00 0.00 57.03 56.42 1oxs h ASP 227 Cb 0.55 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1oxs h ASP 227 CO 0.04 1.11 0.37 -0.07 -1.72 0.00 0.00 179.24 178.98 1oxs h LEU 228 N 0.13 0.82 -0.38 1.55 4.07 -1.10 0.37 115.31 120.76 1oxs h LEU 228 Ca -0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1oxs h LEU 228 Cb 1.07 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.59 1oxs h LEU 228 CO 0.09 0.65 0.10 0.22 -1.08 0.00 0.00 178.44 178.43 1oxs h TYR 229 N 0.93 0.64 0.00 1.13 3.20 -0.94 -2.74 116.97 119.18 1oxs h TYR 229 Ca 0.24 -0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 1oxs h TYR 229 Cb 0.01 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1oxs h TYR 229 CO 0.01 0.61 -1.43 -0.25 -1.64 0.00 0.00 178.16 175.46 1oxs n ASP 230 N -4.59 0.83 -3.06 -2.11 8.00 -0.62 -4.52 116.55 110.48 1oxs n ASP 230 Ca -0.01 0.36 -0.23 0.00 0.71 0.00 0.00 54.79 55.63 1oxs n ASP 230 Cb 0.19 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1oxs n ASP 230 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1oxs n ASN 231 N -2.87 2.69 -4.77 -2.24 3.02 0.13 -5.00 115.26 106.22 1oxs n ASN 231 Ca -0.10 -3.35 -0.37 0.00 -0.03 0.00 0.00 54.58 50.73 1oxs n ASN 231 Cb 0.83 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1oxs n ASN 231 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1oxs s PRO 232 N -2.97 3.74 0.45 3.52 0.04 -1.04 -4.66 135.00 134.09 1oxs s PRO 232 Ca 0.44 1.85 0.25 0.00 0.04 0.00 0.00 61.00 63.58 1oxs s PRO 232 Cb 0.32 -2.44 0.74 0.00 0.04 0.00 0.00 34.50 33.16 1oxs s PRO 232 CO -0.11 -0.59 1.75 -0.39 0.04 0.00 0.00 177.00 177.70 1oxs h VAL 233 N 1.91 0.26 -3.57 -0.36 -1.51 -1.93 -3.47 116.25 107.58 1oxs h VAL 233 Ca -0.49 -1.06 -0.06 0.00 -1.23 0.00 0.00 66.70 63.86 1oxs h VAL 233 Cb 1.25 1.86 -0.11 0.00 -2.13 0.00 0.00 31.29 32.16 1oxs h VAL 233 CO 0.60 0.12 -0.13 -0.94 -1.23 0.00 0.00 177.57 175.99 1oxs s SER 234 N -6.09 -0.12 0.39 4.19 1.04 -1.26 -5.03 113.70 106.82 1oxs s SER 234 Ca 0.03 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 55.95 1oxs s SER 234 Cb 0.08 0.51 0.81 0.00 0.10 0.00 0.00 66.02 67.52 1oxs s SER 234 CO 0.64 -0.98 1.85 -0.29 0.98 0.00 0.00 173.24 175.44 1oxs h ILE 235 N 2.36 1.14 -0.33 -1.02 6.09 -1.98 -1.15 117.51 122.62 1oxs h ILE 235 Ca -0.30 -1.19 -0.02 0.00 -1.37 0.00 0.00 64.86 61.97 1oxs h ILE 235 Cb 1.25 1.66 -0.01 0.00 0.47 0.00 0.00 36.82 40.18 1oxs h ILE 235 CO 0.42 0.33 0.12 -0.61 -3.07 0.00 0.00 178.15 175.34 1oxs h GLN 236 N 0.00 0.51 -0.71 2.19 4.15 -1.99 -1.59 115.11 117.66 1oxs h GLN 236 Ca -0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 1oxs h GLN 236 Cb 0.63 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1oxs h GLN 236 CO 0.04 0.53 0.25 0.28 -1.93 0.00 0.00 178.83 178.01 1oxs h VAL 237 N 0.39 1.25 -0.80 2.39 2.07 -1.89 -2.16 116.25 117.50 1oxs h VAL 237 Ca 0.11 -0.84 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1oxs h VAL 237 Cb 0.22 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1oxs h VAL 237 CO -0.01 0.33 0.45 0.00 0.02 0.00 0.00 177.57 178.37 1oxs h ALA 238 N 1.12 1.14 0.00 1.67 0.00 -0.86 -1.99 119.26 120.34 1oxs h ALA 238 Ca 0.23 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1oxs h ALA 238 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1oxs h ALA 238 CO -0.01 0.08 -0.31 0.66 0.00 0.00 0.00 179.25 179.67 1oxs h SER 239 N 0.76 0.00 0.98 0.00 4.64 -1.00 -3.10 113.55 115.84 1oxs h SER 239 Ca 0.39 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.59 1oxs h SER 239 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1oxs h SER 239 CO -0.25 0.31 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.40 1oxs h LEU 240 N 0.00 0.00 -0.59 5.97 3.38 -0.72 -3.17 115.31 120.18 1oxs h LEU 240 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oxs h LEU 240 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1oxs h LEU 240 CO 0.04 0.55 -0.41 0.00 0.09 0.00 0.00 178.44 178.71 1oxs n ILE 241 N -3.48 0.00 0.00 1.22 0.13 -0.99 -4.59 119.36 111.66 1oxs n ILE 241 Ca 0.00 -0.15 0.00 0.00 -1.10 0.00 0.00 62.75 61.50 1oxs n ILE 241 Cb 0.65 0.72 0.00 0.00 -0.84 0.00 0.00 39.64 40.17 1oxs n ILE 241 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1oxs n GLY 242 N 1.39 1.16 3.77 4.50 0.00 -1.17 -4.84 105.19 110.01 1oxs n GLY 242 Ca 0.10 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1oxs n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxs s GLU 243 N -2.00 4.04 -0.14 1.61 2.02 -1.26 -4.14 118.70 118.84 1oxs s GLU 243 Ca 0.00 2.31 -0.19 0.00 0.02 0.00 0.00 54.97 57.11 1oxs s GLU 243 Cb 0.00 -2.86 0.05 0.00 0.10 0.00 0.00 34.13 31.42 1oxs s GLU 243 CO 0.00 -0.49 0.50 -1.50 0.02 0.00 0.00 175.26 173.79 1oxs s ILE 244 N -1.19 0.01 0.02 -1.63 2.07 -1.26 -4.38 121.20 114.84 1oxs s ILE 244 Ca 0.55 -0.09 -0.24 0.00 -1.41 0.00 0.00 60.65 59.46 1oxs s ILE 244 Cb -0.41 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.38 1oxs s ILE 244 CO 0.54 -0.05 0.73 0.20 -1.91 0.00 0.00 174.94 174.45 1oxs s ASN 245 N -0.26 7.14 -0.21 4.50 0.01 -0.20 -4.94 114.94 120.98 1oxs s ASN 245 Ca -0.04 1.36 -0.01 0.00 -0.71 0.00 0.00 52.86 53.46 1oxs s ASN 245 Cb -0.03 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.20 1oxs s ASN 245 CO 0.03 0.02 -0.13 -1.61 -1.51 0.00 0.00 177.10 173.90 1oxs s GLU 246 N 0.01 3.06 0.06 -0.60 2.02 -1.26 -1.68 118.70 120.31 1oxs s GLU 246 Ca 0.37 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.61 1oxs s GLU 246 Cb -0.20 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 1oxs s GLU 246 CO 0.21 -0.25 -0.16 -0.51 0.02 0.00 0.00 175.26 174.57 1oxs s LEU 247 N 1.35 2.22 -0.09 1.80 1.02 -0.12 -4.78 118.68 120.08 1oxs s LEU 247 Ca 0.04 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.66 1oxs s LEU 247 Cb -0.14 -0.68 -0.02 0.00 0.02 0.00 0.00 46.19 45.37 1oxs s LEU 247 CO -0.08 0.02 -0.15 -0.70 0.02 0.00 0.00 176.35 175.46 1oxs s GLU 248 N -1.44 2.91 0.36 1.70 2.12 -1.26 0.58 118.70 123.67 1oxs s GLU 248 Ca 0.02 -0.71 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 1oxs s GLU 248 Cb -0.09 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.84 1oxs s GLU 248 CO 0.02 0.42 0.50 0.20 -0.54 0.00 0.00 175.26 175.85 1oxs s GLY 249 N -0.19 1.54 -0.08 -1.50 0.00 -0.17 -4.82 107.32 102.10 1oxs s GLY 249 Ca -0.00 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.01 1oxs s GLY 249 CO 0.03 -1.00 0.44 1.25 0.00 0.00 0.00 173.10 173.82 1oxs s LYS 250 N -2.91 4.21 -0.10 2.90 2.20 -0.67 -1.30 119.74 124.07 1oxs s LYS 250 Ca 0.30 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 1oxs s LYS 250 Cb -0.01 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1oxs s LYS 250 CO 0.21 0.33 1.30 0.08 -0.36 0.00 0.00 175.35 176.91 1oxs s VAL 251 N 0.08 4.14 0.31 4.02 1.01 -0.65 -0.61 120.40 128.69 1oxs s VAL 251 Ca 0.24 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1oxs s VAL 251 Cb -0.15 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1oxs s VAL 251 CO 0.11 -0.07 0.07 0.42 0.00 0.00 0.00 175.10 175.63 1oxs s THR 252 N 3.02 0.98 0.55 3.92 -4.23 -0.09 -4.95 115.64 114.84 1oxs s THR 252 Ca 0.58 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.44 1oxs s THR 252 Cb -0.25 -2.74 0.38 0.00 1.34 0.00 0.00 72.50 71.24 1oxs s THR 252 CO 0.20 0.00 2.24 0.78 -0.54 0.00 0.00 174.62 177.30 1oxs h ASN 253 N 2.19 0.00 0.02 3.99 -0.26 -1.98 -1.54 115.58 117.99 1oxs h ASN 253 Ca -0.40 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 1oxs h ASN 253 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1oxs h ASN 253 CO 0.67 0.03 -0.46 -0.62 -1.06 0.00 0.00 177.43 175.98 1oxs n GLU 254 N -3.45 1.12 0.00 0.81 -0.58 -1.26 -5.07 120.64 112.22 1oxs n GLU 254 Ca -0.02 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 1oxs n GLU 254 Cb 0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1oxs n GLU 254 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oxs n GLY 255 N 1.41 0.84 3.62 0.62 0.00 -0.58 -4.69 105.19 106.41 1oxs n GLY 255 Ca 0.09 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1oxs n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oxs s VAL 256 N -1.24 4.91 -0.22 1.61 1.01 0.13 -0.91 120.40 125.68 1oxs s VAL 256 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 1oxs s VAL 256 Cb 0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1oxs s VAL 256 CO 0.00 -0.09 0.15 -0.69 0.00 0.00 0.00 175.10 174.47 1oxs s VAL 257 N 2.68 5.38 -0.39 2.92 1.01 0.22 -1.04 120.40 131.19 1oxs s VAL 257 Ca 0.29 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1oxs s VAL 257 Cb -0.15 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 32.88 1oxs s VAL 257 CO 0.10 0.39 0.22 -0.63 0.00 0.00 0.00 175.10 175.17 1oxs s ILE 258 N 0.75 0.82 0.00 2.22 1.01 0.13 -1.67 121.20 124.45 1oxs s ILE 258 Ca 0.08 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.62 1oxs s ILE 258 Cb -0.12 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1oxs s ILE 258 CO 0.02 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 174.65 1oxs n GLY 259 N 3.85 3.74 0.00 6.18 0.00 -1.26 -0.79 105.19 116.91 1oxs n GLY 259 Ca 0.09 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1oxs n GLY 259 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oxs n SER 260 N 5.62 0.00 -4.84 1.61 3.41 -0.98 -4.78 113.62 113.65 1oxs n SER 260 Ca 0.00 -1.04 -0.33 0.00 -0.26 0.00 0.00 58.87 57.25 1oxs n SER 260 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1oxs n SER 260 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oxs s LEU 261 N -1.90 4.12 -0.06 1.04 1.43 0.03 -3.36 118.68 119.98 1oxs s LEU 261 Ca 0.41 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1oxs s LEU 261 Cb 0.19 -2.47 0.04 0.00 0.03 0.00 0.00 46.19 43.97 1oxs s LEU 261 CO 0.31 0.25 0.10 -0.60 0.23 0.00 0.00 176.35 176.65 1oxs s ARG 262 N -1.92 -0.03 -0.18 1.70 3.52 0.21 -0.69 118.95 121.56 1oxs s ARG 262 Ca 0.26 0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 56.22 1oxs s ARG 262 Cb -0.12 -0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 32.78 1oxs s ARG 262 CO 0.17 -0.33 0.09 -0.06 -0.81 0.00 0.00 175.30 174.37 1oxs s PHE 263 N 2.22 3.35 -1.56 5.12 0.40 -0.20 -4.63 117.98 122.67 1oxs s PHE 263 Ca 0.04 0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.50 1oxs s PHE 263 Cb -0.12 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 1oxs s PHE 263 CO -0.04 0.28 2.79 -0.35 0.70 0.00 0.00 175.22 178.60 1oxs n PRO 264 N 3.32 3.78 -4.13 0.24 -0.04 -1.26 -0.70 135.00 136.22 1oxs n PRO 264 Ca -0.17 -2.47 -0.10 0.00 -0.04 0.00 0.00 63.50 60.72 1oxs n PRO 264 Cb 0.52 -2.81 -0.09 0.00 -0.04 0.00 0.00 33.50 31.07 1oxs n PRO 264 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1oxs s VAL 265 N 1.67 0.07 0.10 0.52 -7.23 -1.26 -5.02 120.40 109.26 1oxs s VAL 265 Ca 0.65 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 1oxs s VAL 265 Cb 0.18 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 35.01 1oxs s VAL 265 CO -0.07 -0.33 0.31 -0.55 -0.31 0.00 0.00 175.10 174.16 1oxs s SER 266 N -3.06 -0.09 0.21 4.85 0.15 -1.26 -3.31 113.70 111.18 1oxs s SER 266 Ca 0.26 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 1oxs s SER 266 Cb 0.07 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1oxs s SER 266 CO 0.04 -0.78 0.18 0.68 1.20 0.00 0.00 173.24 174.56 1oxs s VAL 267 N -3.66 0.00 -0.40 4.45 -7.23 -1.26 -5.02 120.40 107.29 1oxs s VAL 267 Ca 0.03 -1.91 0.27 0.00 -1.81 0.00 0.00 61.98 58.55 1oxs s VAL 267 Cb 0.03 -2.45 0.30 0.00 0.56 0.00 0.00 36.38 34.82 1oxs s VAL 267 CO -0.11 -0.01 1.78 0.28 -0.31 0.00 0.00 175.10 176.74 1oxs h SER 268 N 2.57 0.00 -4.12 4.85 0.02 -1.99 -3.46 113.55 111.43 1oxs h SER 268 Ca -0.35 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.14 1oxs h SER 268 Cb 1.25 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.88 1oxs h SER 268 CO 0.51 0.00 0.31 -0.94 -1.14 0.00 0.00 176.83 175.57 1oxs s SER 269 N -4.89 4.59 0.22 3.07 1.04 -1.26 -4.99 113.70 111.49 1oxs s SER 269 Ca 0.05 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.12 1oxs s SER 269 Cb 0.09 -1.12 0.18 0.00 0.10 0.00 0.00 66.02 65.27 1oxs s SER 269 CO 0.51 -1.79 1.50 0.44 0.98 0.00 0.00 173.24 174.88 1oxs h ASP 270 N -0.84 0.13 -3.38 7.02 3.32 -1.89 -3.43 116.42 117.34 1oxs h ASP 270 Ca -0.45 -0.09 -0.43 0.00 0.02 0.00 0.00 57.03 56.08 1oxs h ASP 270 Cb 1.32 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.69 1oxs h ASP 270 CO 0.61 0.80 -0.70 -0.13 -1.72 0.00 0.00 179.24 178.11 1oxs s ARG 271 N -3.45 1.35 0.03 3.56 0.52 -1.26 -1.64 118.95 118.06 1oxs s ARG 271 Ca -0.02 -1.64 -0.04 0.00 -0.52 0.00 0.00 55.73 53.51 1oxs s ARG 271 Cb 0.12 -0.95 -0.02 0.00 0.52 0.00 0.00 34.95 34.62 1oxs s ARG 271 CO 0.79 0.07 0.05 0.00 0.02 0.00 0.00 175.30 176.23 1oxs s ALA 272 N -3.13 0.04 -0.20 2.13 0.00 -0.42 -2.46 121.76 117.72 1oxs s ALA 272 Ca 0.25 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 1oxs s ALA 272 Cb 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1oxs s ALA 272 CO 0.08 -0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.05 1oxs s ILE 273 N -2.34 4.59 -0.16 0.00 -1.09 0.09 -1.00 121.20 121.30 1oxs s ILE 273 Ca -0.07 -0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.18 1oxs s ILE 273 Cb -0.03 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1oxs s ILE 273 CO -0.04 0.42 0.09 -0.63 -1.23 0.00 0.00 174.94 173.56 1oxs s ILE 274 N 0.76 5.07 -0.12 2.92 -1.09 0.20 -0.99 121.20 127.95 1oxs s ILE 274 Ca 0.03 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1oxs s ILE 274 Cb -0.13 -3.26 -0.01 0.00 -1.58 0.00 0.00 42.46 37.48 1oxs s ILE 274 CO 0.02 0.51 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.22 1oxs s GLY 275 N -0.08 1.43 -0.05 6.18 0.00 0.50 -0.95 107.32 114.35 1oxs s GLY 275 Ca 0.08 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1oxs s GLY 275 CO 0.01 -0.23 0.08 -1.50 0.00 0.00 0.00 173.10 171.45 1oxs s ILE 276 N 0.41 -0.13 0.53 0.90 1.10 -0.68 -0.99 121.20 122.33 1oxs s ILE 276 Ca -0.14 0.41 -0.18 0.00 -0.51 0.00 0.00 60.65 60.22 1oxs s ILE 276 Cb -0.17 -0.17 -0.07 0.00 0.15 0.00 0.00 42.46 42.20 1oxs s ILE 276 CO 0.06 0.17 1.04 -0.13 -2.11 0.00 0.00 174.94 173.98 1oxs s ARG 277 N 2.15 3.63 0.37 3.50 0.52 -1.26 -1.04 118.95 126.82 1oxs s ARG 277 Ca 0.04 1.30 0.11 0.00 -0.52 0.00 0.00 55.73 56.65 1oxs s ARG 277 Cb -0.12 -2.07 0.88 0.00 0.52 0.00 0.00 34.95 34.15 1oxs s ARG 277 CO -0.03 -0.57 1.88 -1.00 0.02 0.00 0.00 175.30 175.60 1oxs h PRO 278 N 1.14 0.61 0.00 3.54 0.13 -1.76 -0.33 132.00 135.31 1oxs h PRO 278 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1oxs h PRO 278 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1oxs h PRO 278 CO 0.58 0.40 0.00 -0.85 -0.23 0.00 0.00 178.00 177.91 1oxs n GLU 279 N -4.54 0.17 -0.67 0.86 0.00 -1.26 -2.56 120.64 112.64 1oxs n GLU 279 Ca 0.17 0.49 0.08 0.00 0.00 0.00 0.00 57.16 57.90 1oxs n GLU 279 Cb 0.49 -1.89 0.35 0.00 0.00 0.00 0.00 31.44 30.38 1oxs n GLU 279 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1oxs n ASP 280 N -2.23 4.89 -4.21 -1.84 8.00 -0.14 -4.89 116.55 116.14 1oxs n ASP 280 Ca 0.01 -2.73 -0.27 0.00 0.71 0.00 0.00 54.79 52.51 1oxs n ASP 280 Cb 0.17 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 40.51 1oxs n ASP 280 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1oxs s VAL 281 N -2.37 1.57 0.00 2.53 1.01 -1.06 -1.79 120.40 120.30 1oxs s VAL 281 Ca 0.49 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1oxs s VAL 281 Cb 0.36 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 1oxs s VAL 281 CO 0.18 0.45 -0.02 -0.75 0.00 0.00 0.00 175.10 174.95 1oxs s LYS 282 N -0.45 0.19 0.06 2.72 2.20 -0.21 -4.86 119.74 119.39 1oxs s LYS 282 Ca 0.07 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.62 1oxs s LYS 282 Cb -0.08 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 1oxs s LYS 282 CO -0.01 0.04 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.39 1oxs s LEU 283 N -0.18 2.88 0.22 5.43 1.43 -1.26 -0.82 118.68 126.37 1oxs s LEU 283 Ca -0.00 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1oxs s LEU 283 Cb -0.02 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1oxs s LEU 283 CO -0.00 0.23 0.41 -0.94 0.23 0.00 0.00 176.35 176.28 1oxs s SER 284 N -1.76 -0.06 0.05 2.29 1.04 -0.67 -4.98 113.70 109.62 1oxs s SER 284 Ca 0.18 -0.91 0.22 0.00 0.48 0.00 0.00 55.95 55.92 1oxs s SER 284 Cb -0.11 0.54 -0.21 0.00 0.10 0.00 0.00 66.02 66.34 1oxs s SER 284 CO 0.09 -1.05 0.69 0.29 0.98 0.00 0.00 173.24 174.23 1oxs n LYS 285 N -0.33 0.64 -4.27 4.02 4.76 -1.26 0.20 118.16 121.92 1oxs n LYS 285 Ca -0.03 -0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.17 1oxs n LYS 285 Cb 0.63 -1.64 -0.09 0.00 -1.84 0.00 0.00 35.03 32.08 1oxs n LYS 285 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1oxs s ASP 286 N -4.88 1.13 0.48 4.39 -1.08 -1.26 -4.72 116.67 110.74 1oxs s ASP 286 Ca -0.05 -1.58 -0.23 0.00 -0.52 0.00 0.00 52.55 50.17 1oxs s ASP 286 Cb 0.12 0.45 -0.07 0.00 -1.46 0.00 0.00 42.92 41.97 1oxs s ASP 286 CO 0.86 -0.94 1.22 0.68 0.52 0.00 0.00 175.17 177.51 1oxs s VAL 287 N -3.73 2.82 0.47 1.11 -7.23 -1.26 -4.92 120.40 107.67 1oxs s VAL 287 Ca 0.39 0.62 0.04 0.00 -1.81 0.00 0.00 61.98 61.22 1oxs s VAL 287 Cb 0.05 -3.32 0.02 0.00 0.56 0.00 0.00 36.38 33.69 1oxs s VAL 287 CO 0.20 -0.00 0.66 0.27 -0.31 0.00 0.00 175.10 175.91 1oxs s ILE 288 N -1.47 3.02 -0.82 -0.62 -4.36 -1.26 -5.05 121.20 110.64 1oxs s ILE 288 Ca 0.65 -0.81 0.01 0.00 -0.26 0.00 0.00 60.65 60.25 1oxs s ILE 288 Cb -0.32 -3.07 0.20 0.00 1.25 0.00 0.00 42.46 40.52 1oxs s ILE 288 CO 0.39 -0.04 0.68 0.29 0.24 0.00 0.00 174.94 176.49 1oxs n LYS 289 N -2.07 2.33 -3.15 0.37 5.02 -1.26 -4.96 118.16 114.44 1oxs n LYS 289 Ca 0.07 -4.49 0.04 0.00 -2.02 0.00 0.00 58.31 51.90 1oxs n LYS 289 Cb 0.59 -2.36 -0.00 0.00 -0.02 0.00 0.00 35.03 33.24 1oxs n LYS 289 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1oxs s ASP 290 N -0.78 -1.63 0.00 4.39 -1.08 -1.26 -5.03 116.67 111.29 1oxs s ASP 290 Ca 0.27 0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.61 1oxs s ASP 290 Cb -0.05 2.03 0.71 0.00 -1.46 0.00 0.00 42.92 44.15 1oxs s ASP 290 CO -0.14 -0.30 1.24 -0.90 0.52 0.00 0.00 175.17 175.59 1oxs n ASP 291 N 5.41 0.00 -0.30 -0.34 5.75 -1.26 -2.16 116.55 123.65 1oxs n ASP 291 Ca 0.05 -0.20 0.14 0.00 -0.01 0.00 0.00 54.79 54.78 1oxs n ASP 291 Cb 0.54 -0.11 0.66 0.00 -1.03 0.00 0.00 41.12 41.18 1oxs n ASP 291 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1oxs n SER 292 N -1.11 0.94 -4.30 -1.12 3.41 -1.26 -4.78 113.62 105.39 1oxs n SER 292 Ca 0.08 -1.34 -0.26 0.00 -0.26 0.00 0.00 58.87 57.10 1oxs n SER 292 Cb 0.07 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 1oxs n SER 292 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1oxs s TRP 293 N -1.99 1.92 0.04 7.33 0.52 -0.92 -4.66 118.94 121.19 1oxs s TRP 293 Ca 0.41 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 56.21 1oxs s TRP 293 Cb 0.21 -1.08 -0.03 0.00 -1.15 0.00 0.00 33.47 31.42 1oxs s TRP 293 CO 0.34 0.19 -0.24 0.96 0.02 0.00 0.00 176.95 178.23 1oxs s ILE 294 N -1.02 1.90 0.17 2.03 -4.36 -0.13 -4.93 121.20 114.85 1oxs s ILE 294 Ca 0.08 -1.27 -0.30 0.00 -0.26 0.00 0.00 60.65 58.90 1oxs s ILE 294 Cb -0.10 -1.63 -0.08 0.00 1.25 0.00 0.00 42.46 41.91 1oxs s ILE 294 CO 0.04 0.30 1.12 -0.22 0.24 0.00 0.00 174.94 176.42 1oxs s LEU 295 N -1.16 4.47 0.00 0.37 2.96 -1.26 -0.94 118.68 123.12 1oxs s LEU 295 Ca 0.10 2.11 0.02 0.00 -0.22 0.00 0.00 54.13 56.13 1oxs s LEU 295 Cb -0.09 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1oxs s LEU 295 CO 0.02 -0.26 0.15 1.33 -1.32 0.00 0.00 176.35 176.27 1oxs n VAL 296 N 2.49 0.00 -0.29 1.68 0.24 0.02 -4.93 118.33 117.54 1oxs n VAL 296 Ca 0.03 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1oxs n VAL 296 Cb 0.46 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 1oxs n VAL 296 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oxs n GLY 297 N 0.90 0.87 3.87 7.63 0.00 -1.20 -0.62 105.19 116.64 1oxs n GLY 297 Ca 0.00 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 1oxs n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxs s LYS 298 N -2.00 3.16 0.35 1.61 1.02 -1.21 -1.00 119.74 121.66 1oxs s LYS 298 Ca 0.00 -0.73 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 1oxs s LYS 298 Cb 0.00 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1oxs s LYS 298 CO 0.00 0.51 0.54 0.20 -0.92 0.00 0.00 175.35 175.67 1oxs s GLY 299 N -3.12 1.25 -0.03 -3.33 0.00 0.20 -4.05 107.32 98.24 1oxs s GLY 299 Ca 0.33 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1oxs s GLY 299 CO 0.26 -0.86 -0.11 1.25 0.00 0.00 0.00 173.10 173.64 1oxs s LYS 300 N -2.93 1.17 0.03 2.90 2.20 0.21 -1.03 119.74 122.27 1oxs s LYS 300 Ca 0.27 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 1oxs s LYS 300 Cb -0.01 -1.07 -0.06 0.00 -1.51 0.00 0.00 37.83 35.18 1oxs s LYS 300 CO 0.18 0.16 1.44 0.08 -0.36 0.00 0.00 175.35 176.85 1oxs s VAL 301 N 0.12 3.54 -0.23 4.02 1.01 -0.27 -1.63 120.40 126.96 1oxs s VAL 301 Ca -0.03 0.97 -0.17 0.00 0.00 0.00 0.00 61.98 62.75 1oxs s VAL 301 Cb -0.09 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.50 1oxs s VAL 301 CO 0.01 0.01 -0.01 1.17 0.00 0.00 0.00 175.10 176.28 1oxs n LYS 302 N 5.19 0.59 -3.52 2.72 4.81 0.38 -0.38 118.16 127.95 1oxs n LYS 302 Ca 0.13 0.43 -0.18 0.00 -0.87 0.00 0.00 58.31 57.82 1oxs n LYS 302 Cb 0.43 -1.64 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 1oxs n LYS 302 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1oxs s VAL 303 N -2.44 0.00 -0.04 3.15 0.11 -1.14 -4.77 120.40 115.27 1oxs s VAL 303 Ca -0.32 -0.00 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 1oxs s VAL 303 Cb 0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1oxs s VAL 303 CO 0.56 -0.00 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.49 1oxs s ILE 304 N -1.35 2.43 0.40 7.04 1.01 -1.26 -0.99 121.20 128.49 1oxs s ILE 304 Ca -0.10 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.67 1oxs s ILE 304 Cb -0.00 -1.90 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 1oxs s ILE 304 CO 0.09 0.58 0.03 -0.83 0.00 0.00 0.00 174.94 174.81 1oxs s GLY 305 N -0.49 2.41 -0.13 6.18 0.00 0.44 -4.97 107.32 110.77 1oxs s GLY 305 Ca 0.06 -2.23 -0.02 0.00 0.00 0.00 0.00 44.72 42.54 1oxs s GLY 305 CO 0.01 -2.04 -0.01 -0.47 0.00 0.00 0.00 173.10 170.59 1oxs s TYR 306 N -2.67 1.07 -0.14 1.90 5.04 -1.26 -0.69 117.35 120.60 1oxs s TYR 306 Ca 0.36 -0.62 -0.11 0.00 -2.44 0.00 0.00 57.07 54.26 1oxs s TYR 306 Cb 0.07 -1.02 0.04 0.00 0.35 0.00 0.00 41.96 41.41 1oxs s TYR 306 CO 0.19 -0.49 0.36 1.14 -1.34 0.00 0.00 175.55 175.41 1oxs s GLN 307 N 1.84 0.39 -1.61 4.97 -2.07 -0.22 -4.90 119.66 118.06 1oxs s GLN 307 Ca 0.02 0.58 0.00 0.00 -1.82 0.00 0.00 55.36 54.14 1oxs s GLN 307 Cb -0.14 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 31.89 1oxs s GLN 307 CO -0.07 -0.09 0.00 0.41 -1.32 0.00 0.00 175.29 174.22 1oxs n GLY 308 N 3.37 -0.30 2.46 2.60 0.00 -1.26 -1.44 105.19 110.62 1oxs n GLY 308 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1oxs n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oxs n GLY 309 N -1.00 0.47 3.47 -0.02 0.00 -1.26 -5.00 105.19 101.84 1oxs n GLY 309 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1oxs n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oxs s LEU 310 N 0.00 2.57 -0.16 0.99 1.43 -0.52 -4.94 118.68 118.06 1oxs s LEU 310 Ca 0.00 -1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 51.94 1oxs s LEU 310 Cb 0.00 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 1oxs s LEU 310 CO 0.00 0.05 0.33 -0.36 0.23 0.00 0.00 176.35 176.60 1oxs s PHE 311 N -2.42 3.47 -0.48 0.29 0.40 0.05 -1.06 117.98 118.23 1oxs s PHE 311 Ca 0.29 0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 57.11 1oxs s PHE 311 Cb -0.05 -2.39 0.07 0.00 0.51 0.00 0.00 43.02 41.16 1oxs s PHE 311 CO 0.14 0.21 0.43 0.50 0.70 0.00 0.00 175.22 177.21 1oxs s ARG 312 N 0.54 3.00 -0.27 0.44 3.52 0.13 -0.28 118.95 126.03 1oxs s ARG 312 Ca 0.18 -1.29 -0.10 0.00 -0.13 0.00 0.00 55.73 54.40 1oxs s ARG 312 Cb -0.13 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 1oxs s ARG 312 CO 0.05 -1.06 0.14 0.42 -0.81 0.00 0.00 175.30 174.04 1oxs s ILE 313 N 1.79 4.88 -0.18 4.11 1.01 0.32 -0.42 121.20 132.70 1oxs s ILE 313 Ca 0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1oxs s ILE 313 Cb -0.24 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1oxs s ILE 313 CO 0.07 0.26 0.07 -0.89 0.00 0.00 0.00 174.94 174.46 1oxs s THR 314 N 1.69 4.85 0.33 2.92 2.01 -0.16 -1.51 115.64 125.78 1oxs s THR 314 Ca 0.07 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.15 1oxs s THR 314 Cb -0.16 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 1oxs s THR 314 CO 0.08 0.46 -0.11 0.27 -0.69 0.00 0.00 174.62 174.63 1oxs s ILE 315 N 0.34 2.23 0.16 1.82 -5.25 0.84 -0.47 121.20 120.87 1oxs s ILE 315 Ca 0.04 -2.23 0.07 0.00 -0.99 0.00 0.00 60.65 57.54 1oxs s ILE 315 Cb -0.12 -2.57 -0.04 0.00 2.95 0.00 0.00 42.46 42.68 1oxs s ILE 315 CO -0.00 -0.24 -0.15 0.42 -1.79 0.00 0.00 174.94 173.17 1oxs s THR 316 N -2.63 1.60 0.81 8.37 -4.23 -0.65 -1.25 115.64 117.67 1oxs s THR 316 Ca 0.32 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 1oxs s THR 316 Cb 0.01 -1.80 0.08 0.00 1.34 0.00 0.00 72.50 72.13 1oxs s THR 316 CO 0.16 -0.45 1.10 -2.84 -0.54 0.00 0.00 174.62 172.04 1oxs s PRO 317 N -3.05 1.91 0.44 3.99 0.02 -1.26 -0.62 135.00 136.42 1oxs s PRO 317 Ca 0.15 1.16 -0.24 0.00 0.02 0.00 0.00 61.00 62.10 1oxs s PRO 317 Cb -0.04 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 1oxs s PRO 317 CO 0.05 -1.89 1.15 -0.51 -0.33 0.00 0.00 177.00 175.48 1oxs s LEU 318 N -6.07 4.08 -1.38 -5.54 1.02 -1.26 -3.25 118.68 106.28 1oxs s LEU 318 Ca 0.62 2.29 -0.04 0.00 0.02 0.00 0.00 54.13 57.02 1oxs s LEU 318 Cb -0.18 -4.17 0.00 0.00 0.02 0.00 0.00 46.19 41.86 1oxs s LEU 318 CO 0.57 -0.80 0.50 -0.67 0.02 0.00 0.00 176.35 175.96 1oxs n ASP 319 N -0.28 -5.56 -3.55 2.29 2.03 -1.26 -2.32 116.55 107.90 1oxs n ASP 319 Ca 0.06 -0.23 -0.17 0.00 0.52 0.00 0.00 54.79 54.96 1oxs n ASP 319 Cb 0.48 -4.41 -0.06 0.00 -0.72 0.00 0.00 41.12 36.41 1oxs n ASP 319 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1oxs s SER 320 N -2.71 -0.63 0.00 1.67 0.15 -1.20 -4.42 113.70 106.57 1oxs s SER 320 Ca 0.25 0.72 0.21 0.00 0.70 0.00 0.00 55.95 57.82 1oxs s SER 320 Cb -0.11 0.58 0.29 0.00 -1.71 0.00 0.00 66.02 65.07 1oxs s SER 320 CO 0.31 -0.57 1.26 -0.62 1.20 0.00 0.00 173.24 174.81 1oxs n GLU 321 N 1.06 2.15 -2.00 5.44 1.02 -1.26 -4.41 120.64 122.65 1oxs n GLU 321 Ca -0.19 -1.98 -0.39 0.00 -0.02 0.00 0.00 57.16 54.59 1oxs n GLU 321 Cb 0.57 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.57 1oxs n GLU 321 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1oxs s GLU 322 N -1.51 3.67 0.10 3.49 0.41 -1.26 -5.00 118.70 118.60 1oxs s GLU 322 Ca 0.30 2.11 0.08 0.00 -0.41 0.00 0.00 54.97 57.05 1oxs s GLU 322 Cb 0.19 -2.53 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 1oxs s GLU 322 CO 0.27 -0.73 -0.14 -1.21 -0.49 0.00 0.00 175.26 172.96 1oxs s GLU 323 N -2.55 1.96 -0.04 1.61 2.02 -1.26 -3.98 118.70 116.46 1oxs s GLU 323 Ca 0.63 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 54.54 1oxs s GLU 323 Cb -0.37 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 31.68 1oxs s GLU 323 CO 0.46 0.50 -0.04 0.42 0.02 0.00 0.00 175.26 176.62 1oxs s ILE 324 N -1.15 0.51 0.20 -1.63 1.01 -0.38 -4.67 121.20 115.08 1oxs s ILE 324 Ca 0.19 -0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.84 1oxs s ILE 324 Cb -0.11 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1oxs s ILE 324 CO 0.11 0.22 -0.19 0.72 0.00 0.00 0.00 174.94 175.80 1oxs s PHE 325 N 0.93 2.40 0.22 3.97 -0.12 -1.26 -0.11 117.98 124.01 1oxs s PHE 325 Ca -0.11 -0.31 -0.10 0.00 -0.05 0.00 0.00 56.93 56.36 1oxs s PHE 325 Cb -0.14 -1.17 -0.01 0.00 -0.63 0.00 0.00 43.02 41.07 1oxs s PHE 325 CO -0.00 0.53 0.38 -0.08 -0.05 0.00 0.00 175.22 176.00 1oxs s THR 326 N -1.78 0.01 0.01 -4.49 -1.32 -0.57 -4.34 115.64 103.16 1oxs s THR 326 Ca 0.23 -1.50 0.05 0.00 -1.21 0.00 0.00 61.69 59.26 1oxs s THR 326 Cb -0.08 -2.19 -0.03 0.00 -1.51 0.00 0.00 72.50 68.69 1oxs s THR 326 CO 0.12 -0.05 -0.14 -0.31 -2.21 0.00 0.00 174.62 172.03 1oxs s TYR 327 N -4.03 2.68 0.10 9.09 1.51 -1.26 -0.52 117.35 124.91 1oxs s TYR 327 Ca 0.25 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 55.99 1oxs s TYR 327 Cb 0.01 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1oxs s TYR 327 CO 0.08 0.26 0.33 0.45 -1.11 0.00 0.00 175.55 175.57 1oxs s SER 328 N -1.24 -0.13 0.24 2.29 0.15 0.62 -4.95 113.70 110.68 1oxs s SER 328 Ca 0.14 -0.38 0.09 0.00 0.70 0.00 0.00 55.95 56.50 1oxs s SER 328 Cb -0.11 0.42 0.24 0.00 -1.71 0.00 0.00 66.02 64.87 1oxs s SER 328 CO 0.05 -0.79 1.54 0.44 1.20 0.00 0.00 173.24 175.68 1oxs h ASP 329 N 2.58 0.04 -3.88 5.45 3.32 -1.92 0.17 116.42 122.18 1oxs h ASP 329 Ca -0.34 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.11 1oxs h ASP 329 Cb 1.23 -0.01 -0.20 0.00 0.22 0.00 0.00 39.33 40.57 1oxs h ASP 329 CO 0.49 0.71 -0.82 -1.00 -1.72 0.00 0.00 179.24 176.91 1oxs s HIS 330 N -3.47 1.93 0.54 4.55 3.76 -1.26 -4.79 115.29 116.55 1oxs s HIS 330 Ca -0.01 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.40 1oxs s HIS 330 Cb 0.12 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 1oxs s HIS 330 CO 0.78 0.29 0.90 -1.25 -0.85 0.00 0.00 174.74 174.60 1oxs s PRO 331 N -2.24 3.58 -0.16 8.40 0.04 -1.26 -4.91 135.00 138.46 1oxs s PRO 331 Ca 0.11 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1oxs s PRO 331 Cb -0.09 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1oxs s PRO 331 CO 0.06 -0.36 -0.12 0.42 0.04 0.00 0.00 177.00 177.04 1oxs s ILE 332 N -2.92 1.52 0.71 0.56 1.01 -1.26 -5.14 121.20 115.68 1oxs s ILE 332 Ca 0.51 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1oxs s ILE 332 Cb -0.11 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.89 1oxs s ILE 332 CO 0.48 0.35 1.11 -1.38 0.00 0.00 0.00 174.94 175.49 1oxs s HIS 333 N 1.49 2.56 0.29 3.97 -3.43 -1.26 -4.90 115.29 114.01 1oxs s HIS 333 Ca 0.03 1.56 -0.29 0.00 -0.80 0.00 0.00 55.06 55.55 1oxs s HIS 333 Cb -0.14 -3.14 -0.13 0.00 -1.43 0.00 0.00 32.58 27.74 1oxs s HIS 333 CO -0.10 -1.78 1.35 0.45 -2.00 0.00 0.00 174.74 172.66 1oxs n SER 334 N -2.85 2.79 0.00 7.38 2.88 -1.26 -2.11 113.62 120.45 1oxs n SER 334 Ca 0.10 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1oxs n SER 334 Cb 0.52 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1oxs n SER 334 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oxs n GLY 335 N 1.46 1.79 3.76 0.46 0.00 0.48 -4.97 105.19 108.18 1oxs n GLY 335 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1oxs n GLY 335 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxs s GLU 336 N -0.64 4.46 0.06 1.61 0.41 -0.90 -4.68 118.70 119.02 1oxs s GLU 336 Ca 0.00 1.95 -0.22 0.00 -0.41 0.00 0.00 54.97 56.29 1oxs s GLU 336 Cb 0.00 -3.07 -0.06 0.00 -1.78 0.00 0.00 34.13 29.22 1oxs s GLU 336 CO 0.00 -0.00 0.67 -1.21 -0.49 0.00 0.00 175.26 174.23 1oxs s GLU 337 N -1.70 4.39 0.10 1.61 2.02 -1.26 -1.11 118.70 122.75 1oxs s GLU 337 Ca 0.48 0.91 0.02 0.00 0.02 0.00 0.00 54.97 56.40 1oxs s GLU 337 Cb -0.34 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1oxs s GLU 337 CO 0.45 0.45 -0.07 0.14 0.02 0.00 0.00 175.26 176.25 1oxs s VAL 338 N -0.56 0.73 0.09 2.63 -7.23 -0.20 -4.80 120.40 111.06 1oxs s VAL 338 Ca 0.33 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 1oxs s VAL 338 Cb -0.20 -1.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.98 1oxs s VAL 338 CO 0.21 -0.86 0.41 -0.76 -0.31 0.00 0.00 175.10 173.79 1oxs s LEU 339 N -3.06 4.34 -0.19 1.32 1.43 0.13 -0.63 118.68 122.02 1oxs s LEU 339 Ca 0.12 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1oxs s LEU 339 Cb 0.05 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1oxs s LEU 339 CO -0.04 0.16 -0.16 -0.69 0.23 0.00 0.00 176.35 175.84 1oxs s VAL 340 N -1.42 2.34 0.08 -1.59 1.01 -0.17 -1.67 120.40 118.98 1oxs s VAL 340 Ca 0.34 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1oxs s VAL 340 Cb -0.14 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1oxs s VAL 340 CO 0.18 0.50 -0.09 -0.31 0.00 0.00 0.00 175.10 175.39 1oxs s TYR 341 N 1.33 2.78 0.17 5.22 1.51 -0.00 -0.80 117.35 127.56 1oxs s TYR 341 Ca 0.05 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1oxs s TYR 341 Cb -0.13 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1oxs s TYR 341 CO -0.11 0.41 0.03 0.14 -1.11 0.00 0.00 175.55 174.91 1oxs s VAL 342 N -1.17 0.51 -0.40 0.71 -7.23 -0.12 -1.05 120.40 111.65 1oxs s VAL 342 Ca 0.21 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 1oxs s VAL 342 Cb -0.11 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1oxs s VAL 342 CO 0.13 -0.43 1.09 -0.13 -0.31 0.00 0.00 175.10 175.45 1oxs s ARG 343 N -3.96 3.88 0.22 4.82 1.81 -0.74 -0.96 118.95 124.02 1oxs s ARG 343 Ca 0.25 0.79 -0.07 0.00 -1.72 0.00 0.00 55.73 54.97 1oxs s ARG 343 Cb 0.07 -3.82 0.32 0.00 -0.45 0.00 0.00 34.95 31.07 1oxs s ARG 343 CO 0.04 -1.13 1.77 -0.22 -0.68 0.00 0.00 175.30 175.08 1oxs h LYS 344 N 8.65 0.53 0.00 3.54 3.64 -1.92 -1.47 116.57 129.55 1oxs h LYS 344 Ca -0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1oxs h LYS 344 Cb 1.06 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1oxs h LYS 344 CO 1.07 0.35 0.00 -0.40 -2.27 0.00 0.00 179.45 178.21 1oxs n ASP 345 N -4.90 0.00 -0.68 4.20 5.68 -1.26 -2.70 116.55 116.89 1oxs n ASP 345 Ca 0.11 -0.52 0.08 0.00 -0.50 0.00 0.00 54.79 53.96 1oxs n ASP 345 Cb 0.28 -0.10 0.09 0.00 -1.14 0.00 0.00 41.12 40.25 1oxs n ASP 345 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1oxs n LYS 346 N -1.10 1.46 -2.28 0.11 4.76 -0.56 -4.94 118.16 115.61 1oxs n LYS 346 Ca 0.16 -1.58 -0.42 0.00 -2.87 0.00 0.00 58.31 53.60 1oxs n LYS 346 Cb 0.12 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1oxs n LYS 346 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1oxs s ILE 347 N -1.28 3.89 -0.14 -0.18 1.01 -1.10 -4.72 121.20 118.68 1oxs s ILE 347 Ca 0.21 1.22 -0.06 0.00 0.00 0.00 0.00 60.65 62.02 1oxs s ILE 347 Cb 0.14 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1oxs s ILE 347 CO 0.20 -0.02 0.09 -0.54 0.00 0.00 0.00 174.94 174.67 1oxs s LYS 348 N 2.62 3.60 0.01 2.79 1.02 -0.16 -4.98 119.74 124.62 1oxs s LYS 348 Ca 0.62 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.37 1oxs s LYS 348 Cb -0.29 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1oxs s LYS 348 CO 0.24 0.56 -0.06 0.54 -0.92 0.00 0.00 175.35 175.71 1oxs s VAL 349 N -0.42 0.49 0.03 3.17 0.11 -1.26 -0.37 120.40 122.14 1oxs s VAL 349 Ca 0.10 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1oxs s VAL 349 Cb -0.12 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1oxs s VAL 349 CO 0.02 0.02 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.40 1oxs s PHE 350 N -0.41 0.44 0.38 1.54 0.40 -0.16 -4.99 117.98 115.17 1oxs s PHE 350 Ca -0.00 -0.51 -0.27 0.00 -0.60 0.00 0.00 56.93 55.55 1oxs s PHE 350 Cb -0.04 -0.28 -0.09 0.00 0.51 0.00 0.00 43.02 43.12 1oxs s PHE 350 CO -0.00 -0.14 1.27 -1.21 0.70 0.00 0.00 175.22 175.84 1oxs s GLU 351 N -1.49 4.13 0.00 0.44 2.02 -1.26 -0.73 118.70 121.81 1oxs s GLU 351 Ca -0.13 2.10 0.27 0.00 0.02 0.00 0.00 54.97 57.22 1oxs s GLU 351 Cb -0.10 -2.85 0.73 0.00 0.10 0.00 0.00 34.13 32.01 1oxs s GLU 351 CO -0.00 -0.34 1.56 1.17 0.02 0.00 0.00 175.26 177.67