#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxy s LYS 2 N 0.00 3.08 -0.02 0.03 1.02 -1.26 -1.10 119.74 121.49 1dxy s LYS 2 Ca 0.00 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.21 1dxy s LYS 2 Cb 0.00 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1dxy s LYS 2 CO 0.00 -0.04 -0.13 0.42 -0.92 0.00 0.00 175.35 174.68 1dxy s ILE 3 N 0.91 1.07 -0.07 2.17 1.01 -0.15 -0.12 121.20 126.02 1dxy s ILE 3 Ca -0.04 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1dxy s ILE 3 Cb -0.15 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1dxy s ILE 3 CO -0.03 0.31 -0.15 -0.51 0.00 0.00 0.00 174.94 174.55 1dxy s ILE 4 N -0.15 2.93 -0.05 2.92 2.07 -0.86 -1.19 121.20 126.88 1dxy s ILE 4 Ca 0.02 -0.75 0.07 0.00 -1.41 0.00 0.00 60.65 58.57 1dxy s ILE 4 Cb -0.07 -2.16 -0.01 0.00 0.13 0.00 0.00 42.46 40.34 1dxy s ILE 4 CO 0.00 0.57 -0.25 0.00 -1.91 0.00 0.00 174.94 173.35 1dxy s ALA 5 N -0.34 2.17 0.31 1.50 0.00 0.86 -1.07 121.76 125.20 1dxy s ALA 5 Ca 0.03 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.01 1dxy s ALA 5 Cb -0.13 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1dxy s ALA 5 CO 0.02 0.45 0.04 0.71 0.00 0.00 0.00 175.76 176.99 1dxy s TYR 6 N -0.30 2.65 -1.74 0.00 1.51 0.12 0.15 117.35 119.75 1dxy s TYR 6 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1dxy s TYR 6 Cb -0.13 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1dxy s TYR 6 CO 0.02 0.49 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 1dxy n GLY 7 N -0.99 0.94 3.68 0.71 0.00 -0.04 -3.47 105.19 106.02 1dxy n GLY 7 Ca -0.05 -0.16 -0.47 0.00 0.00 0.00 0.00 46.02 45.34 1dxy n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxy n ALA 8 N 0.11 1.13 -2.83 4.61 0.00 -0.15 -4.75 120.51 118.63 1dxy n ALA 8 Ca -0.19 0.32 -0.25 0.00 0.00 0.00 0.00 53.44 53.33 1dxy n ALA 8 Cb 0.61 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 1dxy n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dxy s ARG 9 N 3.20 3.48 0.24 0.00 0.52 -1.26 -4.43 118.95 120.71 1dxy s ARG 9 Ca 0.88 -0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 55.48 1dxy s ARG 9 Cb -0.66 -2.84 0.34 0.00 0.52 0.00 0.00 34.95 32.31 1dxy s ARG 9 CO 0.47 0.38 1.59 0.28 0.02 0.00 0.00 175.30 178.03 1dxy h VAL 10 N 1.29 0.17 0.00 3.52 2.07 -2.01 0.56 116.25 121.84 1dxy h VAL 10 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1dxy h VAL 10 Cb 1.21 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1dxy h VAL 10 CO 0.65 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.68 1dxy h ASP 11 N -0.01 0.00 1.25 0.57 3.32 -2.02 -3.18 116.42 116.35 1dxy h ASP 11 Ca 0.39 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.29 1dxy h ASP 11 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1dxy h ASP 11 CO -0.85 0.00 -0.77 -0.33 -1.72 0.00 0.00 179.24 175.57 1dxy h GLU 12 N 0.00 0.00 -0.44 3.56 5.08 -1.26 -3.38 114.58 118.13 1dxy h GLU 12 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1dxy h GLU 12 Cb 0.57 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 1dxy h GLU 12 CO 0.00 0.61 -0.35 0.82 -1.00 0.00 0.00 179.01 179.09 1dxy h ILE 13 N 0.00 0.19 -0.61 3.13 1.08 -1.49 -0.62 117.51 119.20 1dxy h ILE 13 Ca -0.03 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.53 1dxy h ILE 13 Cb 1.53 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.44 1dxy h ILE 13 CO 0.08 0.00 0.41 0.06 -0.69 0.00 0.00 178.15 178.01 1dxy h GLN 14 N -0.25 0.46 -0.09 2.37 3.07 -1.81 -0.98 115.11 117.88 1dxy h GLN 14 Ca 0.18 -0.03 -0.20 0.00 0.09 0.00 0.00 58.65 58.69 1dxy h GLN 14 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1dxy h GLN 14 CO -0.58 0.30 -0.77 1.88 0.09 0.00 0.00 178.83 179.75 1dxy h TYR 15 N 0.47 0.69 -0.15 0.06 0.05 -1.40 -0.62 116.97 116.07 1dxy h TYR 15 Ca 0.28 -0.31 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1dxy h TYR 15 Cb 0.47 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1dxy h TYR 15 CO -0.00 1.10 0.08 0.74 -1.05 0.00 0.00 178.16 179.03 1dxy h PHE 16 N 0.34 0.20 -0.26 4.88 0.04 -0.08 0.22 116.94 122.29 1dxy h PHE 16 Ca -0.04 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1dxy h PHE 16 Cb 1.36 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1dxy h PHE 16 CO 0.06 0.20 0.15 0.87 -0.60 0.00 0.00 178.31 178.99 1dxy h LYS 17 N 0.14 0.35 -0.78 1.51 1.57 -1.24 -2.17 116.57 115.95 1dxy h LYS 17 Ca 0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1dxy h LYS 17 Cb 0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1dxy h LYS 17 CO -0.01 0.29 0.38 0.37 -0.57 0.00 0.00 179.45 179.91 1dxy h GLN 18 N 0.31 1.12 -0.55 3.15 5.75 -0.80 -2.21 115.11 121.88 1dxy h GLN 18 Ca 0.09 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1dxy h GLN 18 Cb 0.04 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1dxy h GLN 18 CO -0.02 0.86 0.23 2.35 -2.65 0.00 0.00 178.83 179.61 1dxy h TRP 19 N 1.09 0.77 -0.24 3.99 7.01 -0.30 0.11 115.95 128.39 1dxy h TRP 19 Ca 0.27 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 1dxy h TRP 19 Cb 0.11 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1dxy h TRP 19 CO 0.01 0.59 0.09 0.00 -2.79 0.00 0.00 178.44 176.33 1dxy h ALA 20 N 1.49 0.31 0.05 2.65 0.00 -0.82 -1.05 119.26 121.89 1dxy h ALA 20 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dxy h ALA 20 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dxy h ALA 20 CO -0.02 -0.07 -0.02 0.87 0.00 0.00 0.00 179.25 180.00 1dxy h LYS 21 N 0.23 -0.06 -0.64 0.00 1.57 -0.90 0.22 116.57 116.98 1dxy h LYS 21 Ca 0.08 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1dxy h LYS 21 Cb 0.21 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1dxy h LYS 21 CO -0.00 0.06 0.33 -0.44 -0.57 0.00 0.00 179.45 178.83 1dxy h ASP 22 N -0.18 0.46 0.22 0.86 3.32 -0.70 -3.12 116.42 117.29 1dxy h ASP 22 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1dxy h ASP 22 Cb 0.16 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1dxy h ASP 22 CO 0.01 0.29 -1.11 0.35 -1.72 0.00 0.00 179.24 177.06 1dxy n THR 23 N -4.85 0.07 -0.72 0.35 -2.24 -0.41 -4.97 114.28 101.52 1dxy n THR 23 Ca 0.08 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1dxy n THR 23 Cb 0.20 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1dxy n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dxy n GLY 24 N 1.41 1.42 3.83 3.38 0.00 0.76 -5.01 105.19 110.98 1dxy n GLY 24 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1dxy n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dxy s ASN 25 N -3.18 4.90 -0.21 1.61 0.01 -1.22 -4.83 114.94 112.03 1dxy s ASN 25 Ca 0.00 1.32 -0.12 0.00 -0.71 0.00 0.00 52.86 53.35 1dxy s ASN 25 Cb 0.00 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 1dxy s ASN 25 CO 0.00 -1.71 0.24 -0.89 -1.51 0.00 0.00 177.10 173.23 1dxy s THR 26 N -3.18 5.31 -0.09 1.60 2.01 -0.26 -4.69 115.64 116.34 1dxy s THR 26 Ca 0.60 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1dxy s THR 26 Cb -0.13 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1dxy s THR 26 CO 0.54 0.34 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.51 1dxy s LEU 27 N 0.90 1.25 -0.15 4.42 1.98 -1.26 -0.98 118.68 124.85 1dxy s LEU 27 Ca 0.12 -0.27 0.01 0.00 -2.89 0.00 0.00 54.13 51.11 1dxy s LEU 27 Cb -0.13 -0.77 0.00 0.00 0.66 0.00 0.00 46.19 45.95 1dxy s LEU 27 CO 0.04 -0.08 -0.17 -0.70 -1.89 0.00 0.00 176.35 173.54 1dxy s GLU 28 N 1.42 3.16 0.16 1.98 2.12 -0.34 -5.00 118.70 122.21 1dxy s GLU 28 Ca -0.01 -0.78 0.10 0.00 0.36 0.00 0.00 54.97 54.64 1dxy s GLU 28 Cb -0.13 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1dxy s GLU 28 CO -0.05 0.03 -0.18 1.52 -0.54 0.00 0.00 175.26 176.04 1dxy s TYR 29 N 0.77 2.47 0.01 5.30 -0.85 -1.26 -0.10 117.35 123.69 1dxy s TYR 29 Ca -0.07 -0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.21 1dxy s TYR 29 Cb -0.16 -1.26 -0.01 0.00 0.38 0.00 0.00 41.96 40.92 1dxy s TYR 29 CO 0.00 0.45 -0.06 -1.01 -1.52 0.00 0.00 175.55 173.42 1dxy s HIS 30 N -1.44 0.49 0.17 -3.49 3.76 0.12 -4.92 115.29 109.98 1dxy s HIS 30 Ca 0.20 -0.23 -0.09 0.00 -0.15 0.00 0.00 55.06 54.79 1dxy s HIS 30 Cb -0.09 -0.30 0.05 0.00 1.11 0.00 0.00 32.58 33.34 1dxy s HIS 30 CO 0.11 -0.04 1.58 1.15 -0.85 0.00 0.00 174.74 176.69 1dxy h THR 31 N 4.84 1.27 -4.08 1.30 2.02 -1.86 -0.11 112.91 116.29 1dxy h THR 31 Ca -0.30 -1.32 -0.54 0.00 0.77 0.00 0.00 66.41 65.01 1dxy h THR 31 Cb 1.20 1.06 0.13 0.00 -1.74 0.00 0.00 68.15 68.79 1dxy h THR 31 CO 0.47 0.46 0.52 -1.61 0.37 0.00 0.00 175.52 175.73 1dxy s GLU 32 N -4.75 2.91 0.80 6.66 8.01 -1.26 -3.58 118.70 127.49 1dxy s GLU 32 Ca -0.11 2.00 -0.12 0.00 0.01 0.00 0.00 54.97 56.75 1dxy s GLU 32 Cb 0.13 -2.00 0.07 0.00 -4.31 0.00 0.00 34.13 28.02 1dxy s GLU 32 CO 0.86 -1.30 1.15 -0.06 0.01 0.00 0.00 175.26 175.93 1dxy s PHE 33 N -1.46 2.97 -0.34 1.61 0.08 -1.26 -0.86 117.98 118.72 1dxy s PHE 33 Ca 0.77 0.86 -0.21 0.00 0.12 0.00 0.00 56.93 58.47 1dxy s PHE 33 Cb -0.35 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 1dxy s PHE 33 CO 0.39 -1.73 0.66 -1.17 -0.10 0.00 0.00 175.22 173.27 1dxy s LEU 34 N -5.61 4.20 0.00 -0.37 2.96 -1.26 -4.78 118.68 113.83 1dxy s LEU 34 Ca 0.61 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.85 1dxy s LEU 34 Cb -0.12 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 1dxy s LEU 34 CO 0.51 -0.59 0.23 -0.90 -1.32 0.00 0.00 176.35 174.27 1dxy n ASP 35 N 6.07 -0.30 -0.14 3.68 5.68 -1.26 -4.80 116.55 125.47 1dxy n ASP 35 Ca -0.00 -2.92 0.22 0.00 -0.50 0.00 0.00 54.79 51.59 1dxy n ASP 35 Cb 0.49 1.37 0.63 0.00 -1.14 0.00 0.00 41.12 42.46 1dxy n ASP 35 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1dxy h GLU 36 N 0.00 0.16 0.01 0.11 5.08 -1.94 -0.37 114.58 117.63 1dxy h GLU 36 Ca -0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1dxy h GLU 36 Cb 1.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1dxy h GLU 36 CO 0.32 0.10 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.52 1dxy h ASN 37 N 0.16 -0.01 0.34 1.42 2.35 -1.97 -3.37 115.58 114.50 1dxy h ASN 37 Ca 0.37 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1dxy h ASN 37 Cb 1.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 1dxy h ASN 37 CO -0.06 0.69 -0.15 0.71 -1.65 0.00 0.00 177.43 176.97 1dxy h THR 38 N -1.00 0.73 -0.06 2.81 1.35 -1.81 -2.63 112.91 112.31 1dxy h THR 38 Ca -0.00 -0.62 0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1dxy h THR 38 Cb 0.44 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1dxy h THR 38 CO 0.00 0.15 0.16 1.62 -0.25 0.00 0.00 175.52 177.20 1dxy h VAL 39 N 0.00 0.19 0.00 6.82 3.04 -1.23 -0.10 116.25 124.97 1dxy h VAL 39 Ca -0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1dxy h VAL 39 Cb 0.36 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1dxy h VAL 39 CO 0.02 0.00 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.22 1dxy h GLU 40 N 0.00 0.00 0.00 4.17 5.08 -1.67 -1.75 114.58 120.41 1dxy h GLU 40 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1dxy h GLU 40 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1dxy h GLU 40 CO -0.00 0.03 -0.12 -1.49 -1.00 0.00 0.00 179.01 176.44 1dxy h TRP 41 N 0.00 0.00 0.00 4.33 6.55 -1.23 -3.00 115.95 122.60 1dxy h TRP 41 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1dxy h TRP 41 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1dxy h TRP 41 CO 0.00 0.12 0.00 0.00 -1.05 0.00 0.00 178.44 177.51 1dxy n ALA 42 N -2.17 2.09 -1.68 1.49 0.00 -0.66 -4.85 120.51 114.73 1dxy n ALA 42 Ca 0.00 -0.09 -0.48 0.00 0.00 0.00 0.00 53.44 52.87 1dxy n ALA 42 Cb 0.36 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 1dxy n ALA 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1dxy n LYS 43 N -1.36 2.20 -0.05 0.00 4.81 -1.14 -1.13 118.16 121.50 1dxy n LYS 43 Ca 0.09 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1dxy n LYS 43 Cb 0.20 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1dxy n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dxy n GLY 44 N 4.36 0.43 3.95 3.14 0.00 -1.26 -5.08 105.19 110.73 1dxy n GLY 44 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1dxy n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dxy s PHE 45 N -2.14 3.46 -0.16 1.61 0.40 -0.28 -4.94 117.98 115.93 1dxy s PHE 45 Ca 0.00 0.24 0.18 0.00 -0.60 0.00 0.00 56.93 56.75 1dxy s PHE 45 Cb 0.00 -1.85 -0.06 0.00 0.51 0.00 0.00 43.02 41.62 1dxy s PHE 45 CO 0.00 0.16 1.01 -0.44 0.70 0.00 0.00 175.22 176.65 1dxy h ASP 46 N 0.82 0.00 -4.96 1.36 3.32 -0.84 -3.43 116.42 112.69 1dxy h ASP 46 Ca -0.50 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.56 1dxy h ASP 46 Cb 1.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.66 1dxy h ASP 46 CO 0.61 0.45 0.25 -0.83 -1.72 0.00 0.00 179.24 178.00 1dxy s GLY 47 N -4.64 -0.53 -0.03 2.75 0.00 -1.19 -4.52 107.32 99.17 1dxy s GLY 47 Ca -0.01 0.45 0.06 0.00 0.00 0.00 0.00 44.72 45.22 1dxy s GLY 47 CO 0.79 0.15 -0.22 -0.42 0.00 0.00 0.00 173.10 173.40 1dxy s ILE 48 N -3.68 2.39 -0.08 0.90 1.01 -0.96 -2.02 121.20 118.76 1dxy s ILE 48 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1dxy s ILE 48 Cb -0.02 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1dxy s ILE 48 CO -0.10 0.58 -0.12 0.21 0.00 0.00 0.00 174.94 175.52 1dxy s ASN 49 N -0.62 1.87 0.22 3.58 3.84 -0.23 -1.26 114.94 122.35 1dxy s ASN 49 Ca 0.10 -0.31 -0.07 0.00 0.21 0.00 0.00 52.86 52.79 1dxy s ASN 49 Cb -0.10 -0.84 -0.02 0.00 -0.55 0.00 0.00 41.25 39.73 1dxy s ASN 49 CO -0.00 0.01 0.31 -0.94 -2.79 0.00 0.00 177.10 173.69 1dxy s SER 50 N 0.84 0.02 -0.24 -4.21 1.04 -0.65 0.14 113.70 110.64 1dxy s SER 50 Ca -0.11 -1.15 -0.05 0.00 0.48 0.00 0.00 55.95 55.13 1dxy s SER 50 Cb -0.15 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.58 1dxy s SER 50 CO 0.02 -1.00 0.44 -0.22 0.98 0.00 0.00 173.24 173.46 1dxy s LEU 51 N -3.08 -0.78 -0.09 2.42 2.96 -1.23 -1.07 118.68 117.81 1dxy s LEU 51 Ca 0.30 0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 54.61 1dxy s LEU 51 Cb 0.03 1.43 0.11 0.00 0.50 0.00 0.00 46.19 48.26 1dxy s LEU 51 CO 0.10 -0.26 0.92 0.00 -1.32 0.00 0.00 176.35 175.79 1dxy s GLN 52 N 2.64 0.73 0.00 1.98 -2.07 -1.26 -4.42 119.66 117.27 1dxy s GLN 52 Ca 0.07 -0.03 0.22 0.00 -1.82 0.00 0.00 55.36 53.80 1dxy s GLN 52 Cb -0.14 0.34 -0.14 0.00 -1.09 0.00 0.00 33.01 31.98 1dxy s GLN 52 CO -0.16 -0.27 0.88 0.25 -1.32 0.00 0.00 175.29 174.67 1dxy n THR 53 N 0.34 0.04 -1.43 3.63 -2.24 -1.26 -4.94 114.28 108.42 1dxy n THR 53 Ca -0.10 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 1dxy n THR 53 Cb 0.59 0.58 0.07 0.00 -2.10 0.00 0.00 70.33 69.48 1dxy n THR 53 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1dxy s THR 54 N -3.15 3.38 0.65 4.28 -4.23 -1.26 -4.88 115.64 110.43 1dxy s THR 54 Ca 0.04 0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 60.88 1dxy s THR 54 Cb 0.15 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 1dxy s THR 54 CO 0.85 -0.54 1.26 -2.84 -0.54 0.00 0.00 174.62 172.82 1dxy s PRO 55 N -4.69 2.57 -0.75 3.99 0.02 -1.26 -4.93 135.00 129.95 1dxy s PRO 55 Ca 0.62 1.96 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1dxy s PRO 55 Cb -0.18 -1.86 0.19 0.00 0.02 0.00 0.00 34.50 32.67 1dxy s PRO 55 CO 0.52 -1.55 0.60 0.71 -0.33 0.00 0.00 177.00 176.94 1dxy s TYR 56 N -1.54 3.64 0.67 6.54 1.51 0.64 -4.85 117.35 123.95 1dxy s TYR 56 Ca 0.80 -2.94 -0.11 0.00 -1.01 0.00 0.00 57.07 53.82 1dxy s TYR 56 Cb -0.34 -3.16 -0.01 0.00 -0.11 0.00 0.00 41.96 38.34 1dxy s TYR 56 CO 0.39 -0.76 1.05 0.00 -1.11 0.00 0.00 175.55 175.12 1dxy s ALA 57 N -0.81 2.84 0.32 3.71 0.00 -1.26 -1.11 121.76 125.45 1dxy s ALA 57 Ca 0.23 -0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.28 1dxy s ALA 57 Cb -0.13 -3.13 0.95 0.00 0.00 0.00 0.00 23.12 20.81 1dxy s ALA 57 CO -0.09 -1.03 1.68 0.00 0.00 0.00 0.00 175.76 176.32 1dxy h ALA 58 N -0.57 1.76 -0.90 0.00 0.00 -1.95 0.62 119.26 118.21 1dxy h ALA 58 Ca -0.44 0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1dxy h ALA 58 Cb 1.21 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1dxy h ALA 58 CO 0.59 -0.47 0.58 0.78 0.00 0.00 0.00 179.25 180.73 1dxy h GLY 59 N 0.36 1.30 0.99 0.00 0.00 -1.98 -1.46 103.07 102.28 1dxy h GLY 59 Ca 0.67 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1dxy h GLY 59 CO -0.58 0.24 0.30 -2.08 0.00 0.00 0.00 176.54 174.42 1dxy h VAL 60 N 0.94 1.19 -0.03 4.60 2.07 -1.20 -2.05 116.25 121.78 1dxy h VAL 60 Ca 0.40 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1dxy h VAL 60 Cb 0.32 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1dxy h VAL 60 CO -0.17 0.21 -0.51 -0.26 0.02 0.00 0.00 177.57 176.87 1dxy h PHE 61 N 0.76 0.11 0.15 1.57 0.04 -1.40 -2.40 116.94 115.78 1dxy h PHE 61 Ca 0.20 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1dxy h PHE 61 Cb 0.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1dxy h PHE 61 CO -0.01 0.58 -0.07 1.49 -0.60 0.00 0.00 178.31 179.70 1dxy h GLU 62 N 0.07 -0.20 -0.06 1.51 4.81 -0.79 -0.31 114.58 119.62 1dxy h GLU 62 Ca -0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1dxy h GLU 62 Cb 0.93 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1dxy h GLU 62 CO 0.07 0.01 -0.20 0.87 -0.73 0.00 0.00 179.01 179.03 1dxy h LYS 63 N -0.38 0.10 0.13 1.92 1.57 -1.35 -1.37 116.57 117.19 1dxy h LYS 63 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1dxy h LYS 63 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1dxy h LYS 63 CO 0.03 0.30 -0.06 0.52 -0.57 0.00 0.00 179.45 179.67 1dxy h MET 64 N 0.09 -0.17 -0.99 3.15 2.86 -1.14 -0.76 114.93 117.98 1dxy h MET 64 Ca 0.02 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1dxy h MET 64 Cb 0.41 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 1dxy h MET 64 CO 0.03 0.09 0.62 1.25 1.06 0.00 0.00 176.91 179.96 1dxy h HIS 65 N -0.42 1.09 -0.68 -0.22 -0.00 -0.75 -0.74 115.15 113.44 1dxy h HIS 65 Ca -0.02 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 1dxy h HIS 65 Cb 0.34 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 1dxy h HIS 65 CO 0.01 0.41 0.16 0.00 -0.00 0.00 0.00 177.93 178.50 1dxy h ALA 66 N 1.56 1.00 -0.08 5.26 0.00 -0.84 -2.65 119.26 123.51 1dxy h ALA 66 Ca 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1dxy h ALA 66 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dxy h ALA 66 CO -0.27 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.29 1dxy n TYR 67 N -4.23 0.10 -1.03 0.00 4.01 -0.33 -4.92 117.16 110.76 1dxy n TYR 67 Ca 0.05 -0.05 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1dxy n TYR 67 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1dxy n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dxy n GLY 68 N 1.03 0.47 3.57 2.72 0.00 -0.58 -4.63 105.19 107.77 1dxy n GLY 68 Ca 0.17 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1dxy n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dxy s ILE 69 N -1.89 4.40 -0.80 -0.61 1.01 -0.79 -4.91 121.20 117.61 1dxy s ILE 69 Ca 0.00 0.85 0.24 0.00 0.00 0.00 0.00 60.65 61.74 1dxy s ILE 69 Cb 0.00 -4.48 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 1dxy s ILE 69 CO 0.00 -0.89 1.28 0.29 0.00 0.00 0.00 174.94 175.62 1dxy n LYS 70 N 7.35 0.16 -4.72 2.79 5.02 -1.26 -4.24 118.16 123.25 1dxy n LYS 70 Ca 0.08 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.15 1dxy n LYS 70 Cb 0.49 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 1dxy n LYS 70 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1dxy s PHE 71 N -3.10 1.42 -0.06 2.13 0.08 -1.26 -0.80 117.98 116.39 1dxy s PHE 71 Ca 0.08 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1dxy s PHE 71 Cb 0.15 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1dxy s PHE 71 CO 0.74 -0.06 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.55 1dxy s LEU 72 N -0.24 1.40 -0.03 -0.37 2.96 -0.27 -2.27 118.68 119.87 1dxy s LEU 72 Ca 0.03 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1dxy s LEU 72 Cb -0.07 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 1dxy s LEU 72 CO 0.00 -0.03 -0.21 0.42 -1.32 0.00 0.00 176.35 175.20 1dxy s THR 73 N 0.96 1.73 0.13 3.68 -4.23 -0.39 -2.80 115.64 114.72 1dxy s THR 73 Ca -0.10 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1dxy s THR 73 Cb -0.15 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 1dxy s THR 73 CO 0.00 0.49 0.11 0.27 -0.54 0.00 0.00 174.62 174.95 1dxy s ILE 74 N -0.32 4.46 -1.43 2.99 -4.36 -0.33 -1.64 121.20 120.57 1dxy s ILE 74 Ca 0.03 -0.97 0.27 0.00 -0.26 0.00 0.00 60.65 59.72 1dxy s ILE 74 Cb -0.10 -3.22 0.25 0.00 1.25 0.00 0.00 42.46 40.64 1dxy s ILE 74 CO 0.01 -0.01 1.66 0.54 0.24 0.00 0.00 174.94 177.37 1dxy n ARG 75 N -0.00 0.47 -1.13 0.37 1.74 -0.23 -3.88 116.66 113.98 1dxy n ARG 75 Ca -0.09 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1dxy n ARG 75 Cb 0.53 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1dxy n ARG 75 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1dxy n ASN 76 N -1.07 1.54 -0.12 0.55 6.94 -1.26 -4.63 115.26 117.21 1dxy n ASN 76 Ca 0.10 -0.64 -0.24 0.00 -0.02 0.00 0.00 54.58 53.78 1dxy n ASN 76 Cb 0.32 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.64 1dxy n ASN 76 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1dxy n VAL 77 N -0.15 1.52 -1.79 3.53 0.31 -1.26 -1.73 118.33 118.77 1dxy n VAL 77 Ca 0.00 -0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 1dxy n VAL 77 Cb 0.00 -2.00 -0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1dxy n VAL 77 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1dxy s GLY 78 N -5.15 2.76 0.00 2.92 0.00 -1.26 -4.81 107.32 101.78 1dxy s GLY 78 Ca -0.33 1.58 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1dxy s GLY 78 CO 0.51 2.33 0.87 -1.30 0.00 0.00 0.00 173.10 175.51 1dxy n THR 79 N 0.82 0.74 0.29 0.90 -2.24 -1.26 -4.79 114.28 108.73 1dxy n THR 79 Ca 0.03 -0.75 0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1dxy n THR 79 Cb 0.39 0.63 0.86 0.00 -2.10 0.00 0.00 70.33 70.11 1dxy n THR 79 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1dxy h ASP 80 N 0.00 0.00 -0.40 3.42 3.58 -1.99 -1.99 116.42 119.04 1dxy h ASP 80 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1dxy h ASP 80 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1dxy h ASP 80 CO 0.00 0.06 0.00 -0.46 -2.88 0.00 0.00 179.24 175.96 1dxy n ASN 81 N -3.64 4.10 -4.41 2.28 6.94 -1.26 -4.88 115.26 114.38 1dxy n ASN 81 Ca -0.02 -2.59 -0.33 0.00 -0.02 0.00 0.00 54.58 51.62 1dxy n ASN 81 Cb 0.16 -0.61 -0.13 0.00 -2.36 0.00 0.00 39.78 36.84 1dxy n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1dxy s ILE 82 N -2.13 3.40 -1.05 1.53 1.01 -0.75 -0.26 121.20 122.95 1dxy s ILE 82 Ca 0.37 -0.53 -0.23 0.00 0.00 0.00 0.00 60.65 60.26 1dxy s ILE 82 Cb 0.27 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 40.30 1dxy s ILE 82 CO 0.12 0.50 1.64 -0.62 0.00 0.00 0.00 174.94 176.58 1dxy s ASP 83 N 0.47 6.15 0.20 3.58 -1.08 -0.27 -4.78 116.67 120.94 1dxy s ASP 83 Ca -0.07 -1.45 -0.11 0.00 -0.52 0.00 0.00 52.55 50.41 1dxy s ASP 83 Cb -0.15 -2.57 0.14 0.00 -1.46 0.00 0.00 42.92 38.88 1dxy s ASP 83 CO 0.04 -1.84 1.84 0.24 0.52 0.00 0.00 175.17 175.97 1dxy h MET 84 N 9.77 0.98 -0.38 4.34 2.86 -1.91 -1.16 114.93 129.43 1dxy h MET 84 Ca 0.22 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1dxy h MET 84 Cb 0.98 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1dxy h MET 84 CO 1.37 0.70 0.21 1.79 1.06 0.00 0.00 176.91 182.05 1dxy h THR 85 N 0.99 1.14 -0.73 2.22 1.35 -1.99 0.15 112.91 116.04 1dxy h THR 85 Ca 0.26 -0.36 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 1dxy h THR 85 Cb -0.03 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 67.04 1dxy h THR 85 CO -0.05 0.15 0.29 0.00 -0.25 0.00 0.00 175.52 175.65 1dxy h ALA 86 N 1.08 1.14 -0.14 6.62 0.00 -1.91 0.27 119.26 126.31 1dxy h ALA 86 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1dxy h ALA 86 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1dxy h ALA 86 CO -0.02 0.62 0.05 1.98 0.00 0.00 0.00 179.25 181.88 1dxy h MET 87 N 1.05 0.22 -0.65 0.00 -1.53 -0.59 -2.05 114.93 111.39 1dxy h MET 87 Ca 0.24 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.40 1dxy h MET 87 Cb 0.20 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.19 1dxy h MET 87 CO -0.02 0.33 0.16 -0.22 0.14 0.00 0.00 176.91 177.29 1dxy h LYS 88 N 0.07 1.03 -0.56 0.39 3.64 -0.46 -1.09 116.57 119.58 1dxy h LYS 88 Ca 0.05 -0.23 0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1dxy h LYS 88 Cb 0.19 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1dxy h LYS 88 CO -0.00 0.91 0.27 0.37 -2.27 0.00 0.00 179.45 178.73 1dxy h GLN 89 N 0.98 0.50 -0.59 1.90 4.15 -0.73 -1.00 115.11 120.32 1dxy h GLN 89 Ca 0.21 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1dxy h GLN 89 Cb 0.35 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1dxy h GLN 89 CO 0.00 0.33 0.00 0.66 -1.93 0.00 0.00 178.83 177.89 1dxy n TYR 90 N -4.89 0.73 -3.35 3.99 4.01 -0.79 -4.93 117.16 111.93 1dxy n TYR 90 Ca 0.06 -0.28 -0.24 0.00 -0.16 0.00 0.00 57.90 57.27 1dxy n TYR 90 Cb 0.17 -0.15 0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1dxy n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dxy n GLY 91 N 0.65 -0.52 3.83 2.72 0.00 -0.38 -4.76 105.19 106.73 1dxy n GLY 91 Ca 0.12 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1dxy n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dxy s ILE 92 N -3.17 5.27 0.07 -0.61 -1.09 -0.45 -4.90 121.20 116.33 1dxy s ILE 92 Ca 0.44 0.53 0.04 0.00 -2.23 0.00 0.00 60.65 59.43 1dxy s ILE 92 Cb -0.21 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1dxy s ILE 92 CO 0.54 0.55 -0.01 -0.13 -1.23 0.00 0.00 174.94 174.65 1dxy s ARG 93 N -0.70 2.55 0.10 2.79 0.52 0.02 -4.48 118.95 119.74 1dxy s ARG 93 Ca 0.19 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.64 1dxy s ARG 93 Cb -0.14 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 1dxy s ARG 93 CO 0.08 0.56 -0.14 -1.17 0.02 0.00 0.00 175.30 174.64 1dxy s LEU 94 N -2.11 2.34 -0.01 2.53 2.96 -1.26 -1.11 118.68 122.03 1dxy s LEU 94 Ca 0.24 -0.72 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1dxy s LEU 94 Cb -0.12 -0.55 0.00 0.00 0.50 0.00 0.00 46.19 46.03 1dxy s LEU 94 CO 0.16 -0.10 0.14 -0.94 -1.32 0.00 0.00 176.35 174.28 1dxy s SER 95 N -2.10 -0.02 0.03 3.68 1.04 -1.12 -0.58 113.70 114.62 1dxy s SER 95 Ca 0.04 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1dxy s SER 95 Cb -0.07 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1dxy s SER 95 CO 0.03 -0.28 0.00 -0.46 0.98 0.00 0.00 173.24 173.51 1dxy n ASN 96 N 1.88 1.88 -3.74 7.02 6.94 -1.08 -1.19 115.26 126.97 1dxy n ASN 96 Ca -0.20 -1.11 -0.29 0.00 -0.02 0.00 0.00 54.58 52.96 1dxy n ASN 96 Cb 0.56 0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.87 1dxy n ASN 96 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1dxy s VAL 97 N -0.90 1.66 0.21 3.53 1.01 -0.71 -4.79 120.40 120.41 1dxy s VAL 97 Ca 0.00 -2.86 0.32 0.00 0.00 0.00 0.00 61.98 59.44 1dxy s VAL 97 Cb -0.00 -2.15 0.35 0.00 0.00 0.00 0.00 36.38 34.58 1dxy s VAL 97 CO 0.00 -0.92 2.00 1.55 0.00 0.00 0.00 175.10 177.73 1dxy h PRO 98 N 6.47 0.00 -1.95 2.72 0.13 -1.91 -3.35 132.00 134.10 1dxy h PRO 98 Ca 0.02 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.67 1dxy h PRO 98 Cb 0.90 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.64 1dxy h PRO 98 CO 0.53 0.07 -1.18 0.00 -0.23 0.00 0.00 178.00 177.19 1dxy n ALA 99 N -2.15 1.95 -0.35 -0.56 0.00 -1.26 -4.92 120.51 113.22 1dxy n ALA 99 Ca -0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 53.44 50.07 1dxy n ALA 99 Cb 0.30 -0.93 0.12 0.00 0.00 0.00 0.00 19.45 18.93 1dxy n ALA 99 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1dxy h TYR 100 N 3.00 1.17 -0.74 0.00 -0.00 -1.93 -3.40 116.97 115.07 1dxy h TYR 100 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.84 1dxy h TYR 100 Cb 0.97 -0.39 -0.18 0.00 0.00 0.00 0.00 36.73 37.13 1dxy h TYR 100 CO 0.46 0.70 -0.34 0.45 -0.00 0.00 0.00 178.16 179.43 1dxy s SER 101 N -6.00 -1.13 0.48 0.10 0.15 -1.26 -4.69 113.70 101.34 1dxy s SER 101 Ca -0.13 -0.69 0.17 0.00 0.70 0.00 0.00 55.95 56.01 1dxy s SER 101 Cb 0.18 1.46 1.16 0.00 -1.71 0.00 0.00 66.02 67.11 1dxy s SER 101 CO 0.81 -0.11 2.05 -0.65 1.20 0.00 0.00 173.24 176.54 1dxy h PRO 102 N 6.23 0.00 -0.54 5.44 0.11 -1.93 -2.68 132.00 138.63 1dxy h PRO 102 Ca 0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 1dxy h PRO 102 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1dxy h PRO 102 CO 0.03 0.12 0.04 0.00 -0.21 0.00 0.00 178.00 177.99 1dxy h ALA 103 N 1.88 1.06 -0.70 -0.75 0.00 -1.94 -0.15 119.26 118.65 1dxy h ALA 103 Ca -0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1dxy h ALA 103 Cb 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1dxy h ALA 103 CO 0.02 0.60 0.43 0.00 0.00 0.00 0.00 179.25 180.29 1dxy h ALA 104 N 1.21 0.92 0.01 0.00 0.00 -1.76 0.32 119.26 119.96 1dxy h ALA 104 Ca 0.16 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1dxy h ALA 104 Cb 0.43 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dxy h ALA 104 CO 0.02 0.19 -0.80 0.82 0.00 0.00 0.00 179.25 179.47 1dxy h ILE 105 N 0.83 1.37 -0.75 0.00 5.03 -1.37 -2.17 117.51 120.46 1dxy h ILE 105 Ca 0.29 -2.17 -0.02 0.00 -0.12 0.00 0.00 64.86 62.85 1dxy h ILE 105 Cb 0.05 2.53 -0.04 0.00 -3.03 0.00 0.00 36.82 36.33 1dxy h ILE 105 CO -0.12 0.65 0.41 0.00 -0.68 0.00 0.00 178.15 178.40 1dxy h ALA 106 N 0.34 0.96 -0.42 1.87 0.00 -0.76 -1.18 119.26 120.08 1dxy h ALA 106 Ca -0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1dxy h ALA 106 Cb 1.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1dxy h ALA 106 CO 0.16 0.47 -0.03 0.93 0.00 0.00 0.00 179.25 180.78 1dxy h GLU 107 N 1.03 0.69 -0.53 0.00 5.08 -0.36 -1.64 114.58 118.85 1dxy h GLU 107 Ca 0.26 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1dxy h GLU 107 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1dxy h GLU 107 CO -0.04 0.72 -0.08 0.35 -1.00 0.00 0.00 179.01 178.96 1dxy h PHE 108 N 0.64 1.06 -0.72 4.33 3.57 -0.83 0.95 116.94 125.94 1dxy h PHE 108 Ca 0.13 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1dxy h PHE 108 Cb 0.44 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1dxy h PHE 108 CO 0.02 0.98 0.42 0.00 -2.23 0.00 0.00 178.31 177.50 1dxy h ALA 109 N 1.04 0.92 -0.67 2.41 0.00 -0.68 -0.80 119.26 121.47 1dxy h ALA 109 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1dxy h ALA 109 Cb 0.62 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1dxy h ALA 109 CO 0.04 0.41 0.20 -0.07 0.00 0.00 0.00 179.25 179.83 1dxy h LEU 110 N 0.99 0.97 -0.10 0.00 -0.00 -0.85 -0.99 115.31 115.33 1dxy h LEU 110 Ca 0.26 -0.18 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1dxy h LEU 110 Cb 0.00 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 1dxy h LEU 110 CO -0.04 0.92 -0.01 0.74 -0.00 0.00 0.00 178.44 180.04 1dxy h THR 111 N 1.00 0.92 -0.42 0.22 2.02 -0.03 -0.92 112.91 115.69 1dxy h THR 111 Ca 0.22 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.30 1dxy h THR 111 Cb 0.30 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1dxy h THR 111 CO -0.01 0.00 -0.12 0.44 0.37 0.00 0.00 175.52 176.21 1dxy h ASP 112 N 0.02 0.75 -0.02 4.18 5.19 -1.02 -1.55 116.42 123.96 1dxy h ASP 112 Ca 0.05 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1dxy h ASP 112 Cb 0.06 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.37 1dxy h ASP 112 CO -0.09 0.89 0.01 0.74 -3.12 0.00 0.00 179.24 177.67 1dxy h THR 113 N 0.69 1.08 -0.50 0.35 2.02 -0.73 -1.79 112.91 114.03 1dxy h THR 113 Ca 0.12 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1dxy h THR 113 Cb 0.59 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1dxy h THR 113 CO 0.04 0.06 0.07 -0.07 0.37 0.00 0.00 175.52 175.99 1dxy h LEU 114 N -0.06 0.80 -0.69 2.58 3.38 -1.12 0.87 115.31 121.07 1dxy h LEU 114 Ca 0.01 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.81 1dxy h LEU 114 Cb 0.09 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 1dxy h LEU 114 CO -0.00 0.86 0.31 0.22 0.09 0.00 0.00 178.44 179.92 1dxy h TYR 115 N 0.70 0.54 0.07 1.13 5.03 -1.19 -1.02 116.97 122.24 1dxy h TYR 115 Ca 0.15 0.03 -0.27 0.00 2.58 0.00 0.00 58.73 61.22 1dxy h TYR 115 Cb 0.41 -0.14 0.02 0.00 1.55 0.00 0.00 36.73 38.57 1dxy h TYR 115 CO 0.03 0.16 -1.14 -0.07 -1.32 0.00 0.00 178.16 175.83 1dxy h LEU 116 N 0.52 0.75 -1.84 2.82 3.38 -1.06 0.82 115.31 120.69 1dxy h LEU 116 Ca 0.35 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1dxy h LEU 116 Cb 0.41 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dxy h LEU 116 CO -0.30 1.48 -0.10 -0.07 0.09 0.00 0.00 178.44 179.53 1dxy h LEU 117 N 0.27 0.00 -2.72 1.67 3.38 -0.28 -1.67 115.31 115.96 1dxy h LEU 117 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1dxy h LEU 117 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1dxy h LEU 117 CO 0.21 0.10 0.00 0.54 0.09 0.00 0.00 178.44 179.38 1dxy n ARG 118 N -4.30 2.71 -4.10 1.13 5.12 -0.44 -1.45 116.66 115.34 1dxy n ARG 118 Ca -0.03 -2.66 -0.34 0.00 -1.93 0.00 0.00 57.85 52.89 1dxy n ARG 118 Cb 0.18 -1.58 -0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1dxy n ARG 118 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1dxy n ASN 119 N 1.68 -3.96 -0.21 0.55 3.02 -0.63 -4.80 115.26 110.91 1dxy n ASN 119 Ca 0.25 -0.91 0.09 0.00 -0.03 0.00 0.00 54.58 53.97 1dxy n ASN 119 Cb 0.63 -3.23 0.37 0.00 -0.61 0.00 0.00 39.78 36.94 1dxy n ASN 119 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1dxy h MET 120 N -1.75 0.69 -0.49 3.52 4.05 -1.11 -0.95 114.93 118.89 1dxy h MET 120 Ca -0.59 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 58.72 1dxy h MET 120 Cb 1.38 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 32.01 1dxy h MET 120 CO 0.74 0.45 0.02 0.78 0.23 0.00 0.00 176.91 179.13 1dxy h GLY 121 N 0.71 0.92 1.07 1.39 0.00 -1.77 0.48 103.07 105.88 1dxy h GLY 121 Ca 0.37 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 1dxy h GLY 121 CO -0.14 0.61 0.06 0.50 0.00 0.00 0.00 176.54 177.57 1dxy h LYS 122 N 0.72 1.09 0.06 4.80 1.57 -1.40 -1.03 116.57 122.38 1dxy h LYS 122 Ca 0.14 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1dxy h LYS 122 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1dxy h LYS 122 CO 0.02 1.03 -0.03 0.28 -0.57 0.00 0.00 179.45 180.18 1dxy h VAL 123 N 1.00 1.01 -0.66 0.50 2.07 -0.94 -2.35 116.25 116.89 1dxy h VAL 123 Ca 0.19 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1dxy h VAL 123 Cb 0.50 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1dxy h VAL 123 CO 0.02 0.06 0.25 1.56 0.02 0.00 0.00 177.57 179.48 1dxy h GLN 124 N -0.19 0.97 -0.78 1.57 1.08 -0.79 -1.83 115.11 115.14 1dxy h GLN 124 Ca -0.01 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1dxy h GLN 124 Cb 0.16 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 1dxy h GLN 124 CO 0.01 0.80 0.44 0.00 -0.95 0.00 0.00 178.83 179.14 1dxy h ALA 125 N 1.32 1.00 -0.28 3.87 0.00 -1.05 -1.20 119.26 122.93 1dxy h ALA 125 Ca 0.22 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1dxy h ALA 125 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1dxy h ALA 125 CO -0.02 0.49 -0.46 1.96 0.00 0.00 0.00 179.25 181.23 1dxy h GLN 126 N 1.08 0.72 -0.45 0.00 1.08 -1.11 -2.13 115.11 114.30 1dxy h GLN 126 Ca 0.28 -0.40 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1dxy h GLN 126 Cb 0.01 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1dxy h GLN 126 CO -0.05 1.02 0.03 -0.07 -0.95 0.00 0.00 178.83 178.82 1dxy h LEU 127 N 0.57 0.75 -1.49 1.46 3.38 -1.04 0.73 115.31 119.67 1dxy h LEU 127 Ca 0.03 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1dxy h LEU 127 Cb 1.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1dxy h LEU 127 CO 0.10 0.85 -0.04 1.56 0.09 0.00 0.00 178.44 180.99 1dxy h GLN 128 N 0.62 0.27 -0.00 1.13 1.08 -1.16 0.19 115.11 117.24 1dxy h GLN 128 Ca 0.13 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1dxy h GLN 128 Cb 0.45 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1dxy h GLN 128 CO 0.02 0.34 0.00 0.00 -0.95 0.00 0.00 178.83 178.24 1dxy n ALA 129 N -2.49 2.68 -1.03 3.87 0.00 -0.81 -4.89 120.51 117.83 1dxy n ALA 129 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1dxy n ALA 129 Cb 0.21 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 1dxy n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dxy n GLY 130 N 0.99 0.49 3.14 0.00 0.00 0.05 -5.00 105.19 104.86 1dxy n GLY 130 Ca 0.23 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 1dxy n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dxy s ASP 131 N -2.76 6.05 0.34 1.61 -1.08 0.21 -4.90 116.67 116.14 1dxy s ASP 131 Ca 0.00 -3.56 0.01 0.00 -0.52 0.00 0.00 52.55 48.48 1dxy s ASP 131 Cb 0.00 -1.94 0.58 0.00 -1.46 0.00 0.00 42.92 40.10 1dxy s ASP 131 CO 0.00 -0.23 1.99 0.22 0.52 0.00 0.00 175.17 177.67 1dxy h TYR 132 N 6.26 0.84 -0.20 -5.34 5.03 -1.89 -1.42 116.97 120.25 1dxy h TYR 132 Ca 0.14 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.39 1dxy h TYR 132 Cb 0.84 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1dxy h TYR 132 CO 0.74 0.55 -0.11 0.93 -1.32 0.00 0.00 178.16 178.94 1dxy h GLU 133 N 0.89 0.44 0.00 1.82 5.08 -1.95 -3.05 114.58 117.81 1dxy h GLU 133 Ca 0.24 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1dxy h GLU 133 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1dxy h GLU 133 CO -0.05 0.73 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.13 1dxy h LYS 134 N 0.13 0.00 0.00 2.33 3.64 -1.88 -2.39 116.57 118.40 1dxy h LYS 134 Ca 0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1dxy h LYS 134 Cb 0.61 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1dxy h LYS 134 CO 0.03 0.35 -0.00 0.00 -2.27 0.00 0.00 179.45 177.56 1dxy h ALA 135 N 1.65 1.07 -0.65 5.00 0.00 -1.15 -1.89 119.26 123.29 1dxy h ALA 135 Ca -0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1dxy h ALA 135 Cb 0.61 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.23 1dxy h ALA 135 CO 0.04 0.00 0.26 0.41 0.00 0.00 0.00 179.25 179.97 1dxy n GLY 136 N -1.06 4.39 0.44 0.00 0.00 -0.90 -4.50 105.19 103.56 1dxy n GLY 136 Ca -0.03 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.92 1dxy n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dxy n THR 137 N -0.84 1.09 -3.54 2.61 -2.24 -0.71 -4.85 114.28 105.80 1dxy n THR 137 Ca 0.43 -1.07 -0.40 0.00 -2.27 0.00 0.00 64.05 60.73 1dxy n THR 137 Cb 1.32 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.94 1dxy n THR 137 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1dxy s PHE 138 N -1.14 3.82 0.20 4.78 0.08 -1.26 -5.05 117.98 119.41 1dxy s PHE 138 Ca 0.17 -2.69 -0.32 0.00 0.12 0.00 0.00 56.93 54.21 1dxy s PHE 138 Cb 0.10 -3.46 -0.14 0.00 -0.57 0.00 0.00 43.02 38.95 1dxy s PHE 138 CO 0.10 -0.85 1.47 1.51 -0.10 0.00 0.00 175.22 177.35 1dxy n ILE 139 N 2.99 0.55 -2.67 0.64 3.06 -1.26 -4.74 119.36 117.93 1dxy n ILE 139 Ca 0.17 -0.14 -0.05 0.00 -2.50 0.00 0.00 62.75 60.23 1dxy n ILE 139 Cb 0.40 -1.46 0.02 0.00 0.54 0.00 0.00 39.64 39.14 1dxy n ILE 139 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1dxy n GLY 140 N 2.64 1.32 3.11 4.50 0.00 -1.26 -4.90 105.19 110.61 1dxy n GLY 140 Ca 0.14 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1dxy n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxy s LYS 141 N -2.88 0.67 -0.15 1.61 1.02 -0.52 -5.01 119.74 114.48 1dxy s LYS 141 Ca 0.16 -0.95 -0.18 0.00 0.02 0.00 0.00 55.97 55.02 1dxy s LYS 141 Cb -0.01 -0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 1dxy s LYS 141 CO 0.11 0.06 0.48 -1.21 -0.92 0.00 0.00 175.35 173.87 1dxy s GLU 142 N -2.20 4.29 0.35 1.68 2.02 -1.26 -4.64 118.70 118.94 1dxy s GLU 142 Ca -0.03 0.42 0.05 0.00 0.02 0.00 0.00 54.97 55.44 1dxy s GLU 142 Cb -0.06 -3.48 0.70 0.00 0.10 0.00 0.00 34.13 31.40 1dxy s GLU 142 CO -0.00 0.06 1.96 1.25 0.02 0.00 0.00 175.26 178.55 1dxy h LEU 143 N 7.11 0.70 -0.86 1.80 5.85 -1.97 -0.78 115.31 127.16 1dxy h LEU 143 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1dxy h LEU 143 Cb 1.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1dxy h LEU 143 CO 0.75 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 179.92 1dxy n GLY 144 N -1.44 -0.99 0.90 3.75 0.00 -1.25 -1.45 105.19 104.71 1dxy n GLY 144 Ca 0.11 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1dxy n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dxy n GLN 145 N -2.09 2.05 -3.32 1.61 1.13 -0.30 -3.93 117.38 112.53 1dxy n GLN 145 Ca 0.01 -1.91 -0.19 0.00 -1.94 0.00 0.00 57.00 52.96 1dxy n GLN 145 Cb 0.12 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1dxy n GLN 145 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1dxy s GLN 146 N -1.48 3.06 -0.24 -1.09 -1.52 -0.53 -4.96 119.66 112.90 1dxy s GLN 146 Ca 0.28 -0.94 -0.06 0.00 -1.95 0.00 0.00 55.36 52.69 1dxy s GLN 146 Cb 0.18 -2.76 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 1dxy s GLN 146 CO 0.26 -0.05 0.02 0.99 -0.25 0.00 0.00 175.29 176.26 1dxy s THR 147 N -2.27 3.86 -0.18 -0.19 2.01 -1.26 -1.61 115.64 116.00 1dxy s THR 147 Ca 0.47 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1dxy s THR 147 Cb -0.10 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 1dxy s THR 147 CO 0.33 0.35 0.01 -0.69 -0.69 0.00 0.00 174.62 173.93 1dxy s VAL 148 N 1.54 4.26 -0.26 3.82 1.01 0.73 -0.19 120.40 131.32 1dxy s VAL 148 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1dxy s VAL 148 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1dxy s VAL 148 CO 0.00 0.46 0.08 -0.83 0.00 0.00 0.00 175.10 174.81 1dxy s GLY 149 N 0.53 1.77 -0.20 4.51 0.00 0.41 -1.03 107.32 113.31 1dxy s GLY 149 Ca -0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 1dxy s GLY 149 CO 0.02 0.56 0.06 0.14 0.00 0.00 0.00 173.10 173.88 1dxy s VAL 150 N 1.60 4.59 -0.34 1.40 1.01 -0.26 -0.77 120.40 127.63 1dxy s VAL 150 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1dxy s VAL 150 Cb -0.15 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1dxy s VAL 150 CO 0.04 0.42 0.22 -0.04 0.00 0.00 0.00 175.10 175.73 1dxy s MET 151 N 0.81 3.40 0.00 2.72 -1.94 -0.38 -1.61 119.30 122.30 1dxy s MET 151 Ca 0.03 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1dxy s MET 151 Cb -0.14 -3.75 0.00 0.00 2.01 0.00 0.00 34.83 32.95 1dxy s MET 151 CO 0.02 -0.46 0.00 0.41 -0.01 0.00 0.00 175.02 174.98 1dxy n GLY 152 N 5.07 0.99 2.52 -0.03 0.00 0.06 -0.42 105.19 113.38 1dxy n GLY 152 Ca -0.13 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1dxy n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dxy n THR 153 N 2.70 3.06 -0.53 2.61 -2.24 -1.26 -4.05 114.28 114.57 1dxy n THR 153 Ca 0.00 -4.21 0.00 0.00 -2.27 0.00 0.00 64.05 57.57 1dxy n THR 153 Cb 0.00 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1dxy n THR 153 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dxy n GLY 154 N -0.63 1.18 0.45 3.38 0.00 -1.26 -4.53 105.19 103.78 1dxy n GLY 154 Ca 0.50 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 1dxy n GLY 154 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1dxy h HIS 155 N 0.00 -1.24 -0.36 1.61 -0.00 -1.94 -1.48 115.15 111.74 1dxy h HIS 155 Ca 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.33 1dxy h HIS 155 Cb 0.00 0.49 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1dxy h HIS 155 CO 0.00 -0.59 0.01 0.82 -0.00 0.00 0.00 177.93 178.17 1dxy h ILE 156 N -0.84 1.26 -0.82 6.26 2.04 -1.92 -3.04 117.51 120.43 1dxy h ILE 156 Ca -0.03 -0.96 0.10 0.00 1.00 0.00 0.00 64.86 64.97 1dxy h ILE 156 Cb 0.77 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 1dxy h ILE 156 CO -0.12 0.32 0.46 1.23 0.00 0.00 0.00 178.15 180.04 1dxy h GLY 157 N 0.45 1.29 1.05 5.37 0.00 -1.68 -0.08 103.07 109.47 1dxy h GLY 157 Ca 0.10 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1dxy h GLY 157 CO 0.02 0.10 0.17 1.46 0.00 0.00 0.00 176.54 178.28 1dxy h GLN 158 N 0.75 1.08 -0.46 4.80 4.20 -1.25 -0.59 115.11 123.64 1dxy h GLN 158 Ca 0.41 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 1dxy h GLN 158 Cb 0.42 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1dxy h GLN 158 CO -0.27 0.96 -0.09 0.28 -0.67 0.00 0.00 178.83 179.04 1dxy h VAL 159 N 1.01 1.27 -0.63 -0.54 2.07 -1.22 -2.21 116.25 116.00 1dxy h VAL 159 Ca 0.21 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1dxy h VAL 159 Cb 0.36 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1dxy h VAL 159 CO 0.00 0.41 0.31 0.00 0.02 0.00 0.00 177.57 178.31 1dxy h ALA 160 N 0.88 0.81 -0.61 1.67 0.00 -0.85 -1.74 119.26 119.42 1dxy h ALA 160 Ca 0.12 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1dxy h ALA 160 Cb 0.62 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1dxy h ALA 160 CO 0.04 0.36 0.36 0.82 0.00 0.00 0.00 179.25 180.83 1dxy h ILE 161 N 0.86 1.03 -0.38 0.00 2.04 -0.90 -0.55 117.51 119.61 1dxy h ILE 161 Ca 0.22 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1dxy h ILE 161 Cb 0.10 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1dxy h ILE 161 CO -0.03 0.13 0.25 0.50 0.00 0.00 0.00 178.15 178.99 1dxy h LYS 162 N 0.69 0.51 -0.47 2.37 3.64 -0.90 -0.79 116.57 121.63 1dxy h LYS 162 Ca 0.25 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1dxy h LYS 162 Cb 0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1dxy h LYS 162 CO -0.13 0.35 0.19 -0.07 -2.27 0.00 0.00 179.45 177.53 1dxy h LEU 163 N 0.51 0.65 -0.65 5.20 3.38 -0.77 -1.31 115.31 122.32 1dxy h LEU 163 Ca 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1dxy h LEU 163 Cb -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1dxy h LEU 163 CO -0.03 0.63 0.29 -0.26 0.09 0.00 0.00 178.44 179.16 1dxy h PHE 164 N 0.62 0.97 -0.39 1.13 0.04 -0.93 -2.35 116.94 116.03 1dxy h PHE 164 Ca 0.16 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1dxy h PHE 164 Cb 0.18 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1dxy h PHE 164 CO 0.00 0.75 0.13 -0.22 -0.60 0.00 0.00 178.31 178.37 1dxy h LYS 165 N 0.91 0.56 -0.08 1.51 1.63 -0.87 -1.97 116.57 118.25 1dxy h LYS 165 Ca 0.22 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1dxy h LYS 165 Cb 0.17 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1dxy h LYS 165 CO -0.02 0.48 0.09 0.78 -3.45 0.00 0.00 179.45 177.33 1dxy h GLY 166 N 0.73 0.00 1.32 5.01 0.00 -0.67 0.20 103.07 109.66 1dxy h GLY 166 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1dxy h GLY 166 CO -0.01 0.00 -0.19 0.69 0.00 0.00 0.00 176.54 177.03 1dxy n PHE 167 N -3.89 0.00 -0.35 5.60 3.01 -0.75 -4.91 117.46 116.18 1dxy n PHE 167 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1dxy n PHE 167 Cb 0.19 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1dxy n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxy n GLY 168 N 1.43 0.74 3.75 1.37 0.00 0.70 -3.78 105.19 109.40 1dxy n GLY 168 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1dxy n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxy s ALA 169 N -2.41 2.34 -0.13 4.61 0.00 -1.17 -4.76 121.76 120.23 1dxy s ALA 169 Ca 0.00 0.63 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 1dxy s ALA 169 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1dxy s ALA 169 CO 0.00 -1.50 0.78 0.21 0.00 0.00 0.00 175.76 175.25 1dxy s LYS 170 N -4.09 4.34 -0.16 0.00 2.20 -0.63 -4.59 119.74 116.82 1dxy s LYS 170 Ca 0.69 0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 57.25 1dxy s LYS 170 Cb -0.23 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1dxy s LYS 170 CO 0.43 -0.18 -0.13 0.08 -0.36 0.00 0.00 175.35 175.19 1dxy s VAL 171 N 1.65 2.86 0.15 4.02 1.01 -1.26 -0.19 120.40 128.63 1dxy s VAL 171 Ca 0.38 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.76 1dxy s VAL 171 Cb -0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1dxy s VAL 171 CO 0.15 0.51 -0.25 0.27 0.00 0.00 0.00 175.10 175.77 1dxy s ILE 172 N 0.77 2.21 0.05 2.22 -4.36 -0.20 -2.56 121.20 119.34 1dxy s ILE 172 Ca -0.05 -1.84 -0.02 0.00 -0.26 0.00 0.00 60.65 58.48 1dxy s ILE 172 Cb -0.15 -1.99 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 1dxy s ILE 172 CO 0.01 -0.01 0.01 0.00 0.24 0.00 0.00 174.94 175.19 1dxy s ALA 173 N -1.32 0.33 -0.04 2.27 0.00 0.42 -1.11 121.76 122.31 1dxy s ALA 173 Ca 0.16 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1dxy s ALA 173 Cb -0.09 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1dxy s ALA 173 CO 0.07 -0.37 -0.07 -0.47 0.00 0.00 0.00 175.76 174.91 1dxy s TYR 174 N -3.65 0.92 -0.21 0.00 5.04 -0.63 -0.79 117.35 118.03 1dxy s TYR 174 Ca 0.04 -0.26 -0.12 0.00 -2.44 0.00 0.00 57.07 54.29 1dxy s TYR 174 Cb 0.06 -0.72 0.07 0.00 0.35 0.00 0.00 41.96 41.71 1dxy s TYR 174 CO -0.09 -0.17 0.51 0.34 -1.34 0.00 0.00 175.55 174.81 1dxy s ASP 175 N 0.58 -0.68 0.56 4.32 -1.08 -1.26 -0.77 116.67 118.35 1dxy s ASP 175 Ca -0.09 1.12 0.29 0.00 -0.52 0.00 0.00 52.55 53.36 1dxy s ASP 175 Cb -0.12 1.00 1.66 0.00 -1.46 0.00 0.00 42.92 44.00 1dxy s ASP 175 CO 0.01 -0.21 2.17 1.55 0.52 0.00 0.00 175.17 179.21 1dxy h PRO 176 N 7.06 0.00 -2.52 4.34 0.13 -2.00 -3.24 132.00 135.78 1dxy h PRO 176 Ca -0.34 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.18 1dxy h PRO 176 Cb 1.20 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.91 1dxy h PRO 176 CO 0.24 0.06 -0.59 0.66 -0.23 0.00 0.00 178.00 178.15 1dxy n TYR 177 N -3.69 3.46 -1.59 1.56 4.01 -1.26 -5.10 117.16 114.55 1dxy n TYR 177 Ca -0.02 -4.21 -0.40 0.00 -0.16 0.00 0.00 57.90 53.10 1dxy n TYR 177 Cb 0.16 -0.58 0.02 0.00 -0.31 0.00 0.00 39.34 38.64 1dxy n TYR 177 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1dxy n PRO 178 N 1.26 1.17 -1.74 -0.72 -0.02 -1.23 -4.95 135.00 128.78 1dxy n PRO 178 Ca 0.26 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 1dxy n PRO 178 Cb 0.39 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 31.92 1dxy n PRO 178 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1dxy s MET 179 N -2.14 2.55 0.04 -0.52 -1.94 -1.26 -4.98 119.30 111.05 1dxy s MET 179 Ca 0.66 1.94 -0.18 0.00 -1.71 0.00 0.00 55.69 56.40 1dxy s MET 179 Cb -0.52 -1.86 -0.06 0.00 2.01 0.00 0.00 34.83 34.39 1dxy s MET 179 CO 0.55 -1.56 0.51 0.15 -0.01 0.00 0.00 175.02 174.66 1dxy s LYS 180 N -3.49 4.12 0.30 2.03 1.02 -1.26 -4.95 119.74 117.52 1dxy s LYS 180 Ca 0.80 0.62 0.00 0.00 0.02 0.00 0.00 55.97 57.40 1dxy s LYS 180 Cb -0.34 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1dxy s LYS 180 CO 0.39 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.86 1dxy n GLY 181 N 1.85 -2.51 3.72 -3.33 0.00 -1.26 -4.98 105.19 98.68 1dxy n GLY 181 Ca -0.11 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 1dxy n GLY 181 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dxy n ASP 182 N -0.09 2.42 -2.87 1.61 2.03 -1.26 -5.02 116.55 113.36 1dxy n ASP 182 Ca 0.00 0.98 -0.02 0.00 0.52 0.00 0.00 54.79 56.27 1dxy n ASP 182 Cb 0.00 -1.54 0.01 0.00 -0.72 0.00 0.00 41.12 38.87 1dxy n ASP 182 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1dxy s HIS 183 N -1.30 -1.36 0.59 -0.67 -3.43 -1.26 -5.05 115.29 102.81 1dxy s HIS 183 Ca 0.70 -0.22 0.29 0.00 -0.80 0.00 0.00 55.06 55.03 1dxy s HIS 183 Cb -0.44 0.26 1.71 0.00 -1.43 0.00 0.00 32.58 32.68 1dxy s HIS 183 CO 0.51 -1.02 2.14 -1.35 -2.00 0.00 0.00 174.74 173.02 1dxy h PRO 184 N 5.47 0.00 0.00 -0.38 0.11 -2.04 -3.08 132.00 132.07 1dxy h PRO 184 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1dxy h PRO 184 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1dxy h PRO 184 CO 0.01 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.36 1dxy h ASP 185 N 0.00 0.00 -5.11 -2.05 3.32 -1.97 -3.47 116.42 107.15 1dxy h ASP 185 Ca 0.06 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1dxy h ASP 185 Cb 0.36 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 1dxy h ASP 185 CO -0.00 0.00 0.08 0.72 -1.72 0.00 0.00 179.24 178.31 1dxy s PHE 186 N -3.54 0.05 0.05 4.55 -0.71 -1.17 -4.44 117.98 112.78 1dxy s PHE 186 Ca 0.03 -0.46 0.09 0.00 -1.04 0.00 0.00 56.93 55.55 1dxy s PHE 186 Cb 0.08 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1dxy s PHE 186 CO 0.55 -1.13 -0.26 -0.51 -1.34 0.00 0.00 175.22 172.53 1dxy s ASP 187 N -2.96 3.17 0.07 1.98 1.01 -1.06 -4.85 116.67 114.03 1dxy s ASP 187 Ca 0.16 -0.60 -0.24 0.00 0.71 0.00 0.00 52.55 52.58 1dxy s ASP 187 Cb -0.04 -0.28 -0.06 0.00 1.01 0.00 0.00 42.92 43.55 1dxy s ASP 187 CO 0.08 0.25 0.72 -0.31 0.21 0.00 0.00 175.17 176.12 1dxy s TYR 188 N -0.82 3.77 0.23 4.23 2.02 -1.26 -0.43 117.35 125.09 1dxy s TYR 188 Ca 0.12 1.45 0.02 0.00 -0.37 0.00 0.00 57.07 58.28 1dxy s TYR 188 Cb -0.10 -2.74 -0.05 0.00 -0.40 0.00 0.00 41.96 38.67 1dxy s TYR 188 CO 0.02 0.37 0.05 0.14 -1.57 0.00 0.00 175.55 174.56 1dxy s VAL 189 N -0.43 0.67 0.72 0.71 -7.23 0.03 -4.87 120.40 110.01 1dxy s VAL 189 Ca 0.36 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 1dxy s VAL 189 Cb -0.21 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.34 1dxy s VAL 189 CO 0.22 -0.21 1.07 -0.94 -0.31 0.00 0.00 175.10 174.94 1dxy s SER 190 N -3.26 5.07 0.28 4.85 1.04 -1.26 -4.47 113.70 115.95 1dxy s SER 190 Ca 0.32 1.64 -0.01 0.00 0.48 0.00 0.00 55.95 58.38 1dxy s SER 190 Cb 0.07 -2.46 0.47 0.00 0.10 0.00 0.00 66.02 64.20 1dxy s SER 190 CO 0.10 -1.64 1.88 0.25 0.98 0.00 0.00 173.24 174.80 1dxy h LEU 191 N -0.86 0.99 -0.44 2.42 5.85 -1.99 -0.81 115.31 120.47 1dxy h LEU 191 Ca -0.44 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1dxy h LEU 191 Cb 1.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1dxy h LEU 191 CO 0.56 0.61 0.11 -0.33 -0.34 0.00 0.00 178.44 179.05 1dxy h GLU 192 N 1.11 0.69 -0.50 1.25 3.07 -2.00 -1.94 114.58 116.26 1dxy h GLU 192 Ca 0.44 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 59.06 1dxy h GLU 192 Cb 0.24 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1dxy h GLU 192 CO -0.18 0.69 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.68 1dxy h ASP 193 N 0.57 0.80 -0.31 1.42 3.32 -1.75 -1.08 116.42 119.39 1dxy h ASP 193 Ca 0.14 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1dxy h ASP 193 Cb 0.31 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1dxy h ASP 193 CO 0.00 0.87 0.17 0.25 -1.72 0.00 0.00 179.24 178.81 1dxy h LEU 194 N 0.78 0.28 -0.65 1.55 6.46 -0.81 -0.16 115.31 122.75 1dxy h LEU 194 Ca 0.15 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1dxy h LEU 194 Cb 0.47 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1dxy h LEU 194 CO 0.02 0.20 0.21 -0.26 -0.62 0.00 0.00 178.44 177.99 1dxy h PHE 195 N 0.36 1.04 -0.07 1.25 0.04 -1.11 -2.06 116.94 116.38 1dxy h PHE 195 Ca 0.12 -0.10 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 1dxy h PHE 195 Cb 0.01 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 1dxy h PHE 195 CO -0.08 0.84 -0.57 0.87 -0.60 0.00 0.00 178.31 178.77 1dxy h LYS 196 N 0.93 0.23 0.00 1.51 1.57 -0.85 -3.32 116.57 116.64 1dxy h LYS 196 Ca 0.21 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1dxy h LYS 196 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1dxy h LYS 196 CO -0.01 0.74 -1.71 1.04 -0.57 0.00 0.00 179.45 178.94 1dxy n GLN 197 N -3.90 0.52 -2.63 3.15 6.02 -0.10 -4.37 117.38 116.07 1dxy n GLN 197 Ca -0.02 -0.14 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 1dxy n GLN 197 Cb 0.59 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.31 1dxy n GLN 197 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1dxy s SER 198 N -4.06 7.38 -0.01 1.08 0.01 -0.78 -4.77 113.70 112.55 1dxy s SER 198 Ca -0.04 1.91 0.08 0.00 1.31 0.00 0.00 55.95 59.22 1dxy s SER 198 Cb 0.14 -2.59 -0.23 0.00 0.21 0.00 0.00 66.02 63.54 1dxy s SER 198 CO 0.88 -0.15 0.78 0.44 0.41 0.00 0.00 173.24 175.59 1dxy h ASP 199 N 5.52 0.08 -3.49 2.44 3.32 -0.93 -3.42 116.42 119.93 1dxy h ASP 199 Ca -0.43 -0.15 -0.46 0.00 0.02 0.00 0.00 57.03 56.01 1dxy h ASP 199 Cb 1.21 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 1dxy h ASP 199 CO 0.73 1.13 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.89 1dxy s VAL 200 N -2.62 0.87 -0.21 -1.35 1.01 -1.12 -1.38 120.40 115.60 1dxy s VAL 200 Ca -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1dxy s VAL 200 Cb 0.08 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1dxy s VAL 200 CO 0.82 0.29 -0.12 -0.63 0.00 0.00 0.00 175.10 175.46 1dxy s ILE 201 N 0.68 2.66 -0.19 2.22 1.01 0.41 -0.45 121.20 127.55 1dxy s ILE 201 Ca -0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 1dxy s ILE 201 Cb -0.14 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1dxy s ILE 201 CO 0.02 0.44 -0.14 -0.62 0.00 0.00 0.00 174.94 174.64 1dxy s ASP 202 N 1.36 3.63 -0.18 3.58 2.15 0.05 -0.16 116.67 127.09 1dxy s ASP 202 Ca 0.04 -0.52 -0.17 0.00 0.43 0.00 0.00 52.55 52.33 1dxy s ASP 202 Cb -0.14 -1.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 1dxy s ASP 202 CO -0.08 0.02 0.45 -0.76 -0.17 0.00 0.00 175.17 174.63 1dxy s LEU 203 N 1.22 4.18 -0.31 -1.34 1.43 -0.67 -1.25 118.68 121.94 1dxy s LEU 203 Ca 0.02 0.63 0.18 0.00 -1.03 0.00 0.00 54.13 53.94 1dxy s LEU 203 Cb -0.14 -2.62 0.46 0.00 0.03 0.00 0.00 46.19 43.93 1dxy s LEU 203 CO -0.07 -0.09 1.03 1.41 0.23 0.00 0.00 176.35 178.86 1dxy n HIS 204 N 4.40 0.84 -4.19 0.29 8.25 0.44 -3.97 115.22 121.29 1dxy n HIS 204 Ca -0.07 -2.57 -0.25 0.00 -0.26 0.00 0.00 57.72 54.57 1dxy n HIS 204 Cb 0.51 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 1dxy n HIS 204 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1dxy s VAL 205 N -2.95 3.91 0.58 1.59 -7.23 -1.23 -4.43 120.40 110.64 1dxy s VAL 205 Ca 0.26 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 1dxy s VAL 205 Cb 0.43 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1dxy s VAL 205 CO 0.01 -0.20 1.09 -2.16 -0.31 0.00 0.00 175.10 173.53 1dxy s PRO 206 N -3.26 3.25 -0.20 4.82 0.04 -1.26 -4.59 135.00 133.81 1dxy s PRO 206 Ca 0.30 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1dxy s PRO 206 Cb -0.09 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.54 1dxy s PRO 206 CO 0.21 -0.89 2.17 0.41 0.04 0.00 0.00 177.00 178.94 1dxy n GLY 207 N -0.45 3.49 3.79 0.56 0.00 -1.26 -4.80 105.19 106.52 1dxy n GLY 207 Ca 0.10 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1dxy n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dxy s ILE 208 N -1.27 3.62 0.32 -0.61 -4.36 -1.26 -4.92 121.20 112.72 1dxy s ILE 208 Ca 0.24 0.90 0.09 0.00 -0.26 0.00 0.00 60.65 61.63 1dxy s ILE 208 Cb 0.17 -3.36 0.32 0.00 1.25 0.00 0.00 42.46 40.85 1dxy s ILE 208 CO -0.02 -0.33 1.65 -0.08 0.24 0.00 0.00 174.94 176.41 1dxy h GLU 209 N 0.95 0.26 0.00 0.37 4.81 -2.00 0.12 114.58 119.10 1dxy h GLU 209 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1dxy h GLU 209 Cb 1.23 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1dxy h GLU 209 CO 0.58 0.17 0.00 0.00 -0.73 0.00 0.00 179.01 179.03 1dxy n GLN 210 N -5.13 0.02 -0.02 1.92 10.64 -1.26 -1.45 117.38 122.10 1dxy n GLN 210 Ca 0.28 0.29 0.12 0.00 -1.83 0.00 0.00 57.00 55.86 1dxy n GLN 210 Cb 0.86 -1.55 0.23 0.00 -0.86 0.00 0.00 30.24 28.93 1dxy n GLN 210 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1dxy n ASN 211 N -1.59 2.61 -4.71 2.61 3.02 0.41 -4.86 115.26 112.75 1dxy n ASN 211 Ca 0.03 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 1dxy n ASN 211 Cb 0.16 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1dxy n ASN 211 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1dxy n THR 212 N 1.02 0.09 -3.90 3.41 -1.04 -0.53 -2.02 114.28 111.31 1dxy n THR 212 Ca 0.16 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.85 1dxy n THR 212 Cb 0.53 -2.02 0.02 0.00 -1.82 0.00 0.00 70.33 67.03 1dxy n THR 212 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1dxy n HIS 213 N 4.40 -2.19 0.14 -1.42 8.25 0.13 -4.84 115.22 119.68 1dxy n HIS 213 Ca 0.17 0.86 0.03 0.00 -0.26 0.00 0.00 57.72 58.51 1dxy n HIS 213 Cb 0.35 -3.78 0.40 0.00 1.12 0.00 0.00 29.99 28.08 1dxy n HIS 213 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1dxy h ILE 214 N -1.92 1.18 -3.18 1.59 2.10 -0.68 -3.26 117.51 113.35 1dxy h ILE 214 Ca -0.57 -0.83 -0.76 0.00 1.08 0.00 0.00 64.86 63.78 1dxy h ILE 214 Cb 1.37 1.28 -0.24 0.00 -1.09 0.00 0.00 36.82 38.14 1dxy h ILE 214 CO 0.68 0.25 -0.13 -0.63 -1.08 0.00 0.00 178.15 177.24 1dxy s ILE 215 N -4.65 5.23 0.00 2.19 -1.09 -0.44 -4.80 121.20 117.64 1dxy s ILE 215 Ca -0.05 -1.60 0.00 0.00 -2.23 0.00 0.00 60.65 56.77 1dxy s ILE 215 Cb 0.15 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1dxy s ILE 215 CO 0.73 -0.92 0.00 -0.46 -1.23 0.00 0.00 174.94 173.05 1dxy n ASN 216 N 5.17 1.52 -0.18 3.58 0.23 -1.23 -1.19 115.26 123.17 1dxy n ASN 216 Ca -0.09 -0.96 -0.01 0.00 -0.53 0.00 0.00 54.58 53.00 1dxy n ASN 216 Cb 0.41 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.20 1dxy n ASN 216 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1dxy h GLU 217 N 0.00 0.16 -0.61 -3.83 4.57 -1.92 0.47 114.58 113.41 1dxy h GLU 217 Ca 0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1dxy h GLU 217 Cb 0.00 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1dxy h GLU 217 CO 0.00 0.10 0.39 0.00 -1.18 0.00 0.00 179.01 178.33 1dxy h ALA 218 N 1.48 0.79 0.04 2.92 0.00 -1.96 0.03 119.26 122.56 1dxy h ALA 218 Ca 0.29 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1dxy h ALA 218 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dxy h ALA 218 CO -0.44 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 178.96 1dxy h ALA 219 N 1.25 -0.06 -0.75 0.00 0.00 -1.52 -2.40 119.26 115.79 1dxy h ALA 219 Ca 0.24 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1dxy h ALA 219 Cb -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1dxy h ALA 219 CO -0.07 -0.52 0.49 0.74 0.00 0.00 0.00 179.25 179.88 1dxy h PHE 220 N -0.08 0.77 0.00 0.00 0.04 -0.56 -0.99 116.94 116.12 1dxy h PHE 220 Ca -0.01 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 1dxy h PHE 220 Cb 0.07 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1dxy h PHE 220 CO -0.07 0.39 -0.33 -0.91 -0.60 0.00 0.00 178.31 176.80 1dxy h ASN 221 N 0.75 0.00 0.92 2.17 2.35 -0.52 -2.78 115.58 118.47 1dxy h ASN 221 Ca 0.33 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.88 1dxy h ASN 221 Cb 0.31 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1dxy h ASN 221 CO -0.11 0.33 -0.96 -0.07 -1.65 0.00 0.00 177.43 174.97 1dxy h LEU 222 N 0.00 0.03-10.00 1.61 3.38 -0.77 -3.47 115.31 106.09 1dxy h LEU 222 Ca -0.00 -0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.38 1dxy h LEU 222 Cb 0.59 -0.01 0.17 0.00 0.09 0.00 0.00 40.66 41.50 1dxy h LEU 222 CO 0.04 0.97 0.31 0.23 0.09 0.00 0.00 178.44 180.08 1dxy n MET 223 N -3.43 0.88 -2.71 1.13 2.81 -0.89 -4.09 117.12 110.81 1dxy n MET 223 Ca -0.01 0.35 -0.33 0.00 -1.81 0.00 0.00 57.70 55.91 1dxy n MET 223 Cb 0.90 -2.36 -0.06 0.00 -0.71 0.00 0.00 33.22 30.99 1dxy n MET 223 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1dxy s LYS 224 N -3.23 4.13 0.36 0.03 -2.85 -1.25 -4.98 119.74 111.95 1dxy s LYS 224 Ca 0.79 1.04 -0.28 0.00 -1.00 0.00 0.00 55.97 56.52 1dxy s LYS 224 Cb -0.38 -2.18 -0.11 0.00 -2.06 0.00 0.00 37.83 33.10 1dxy s LYS 224 CO 0.44 -0.09 1.47 -2.14 0.10 0.00 0.00 175.35 175.13 1dxy s PRO 225 N -3.45 4.15 0.00 1.78 0.02 -1.26 -2.56 135.00 133.68 1dxy s PRO 225 Ca 0.61 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1dxy s PRO 225 Cb -0.09 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1dxy s PRO 225 CO 0.19 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1dxy n GLY 226 N 0.65 0.65 3.79 0.52 0.00 0.11 -4.99 105.19 105.93 1dxy n GLY 226 Ca 0.01 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1dxy n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxy s ALA 227 N -2.00 2.49 -0.02 4.61 0.00 -1.06 -4.11 121.76 121.68 1dxy s ALA 227 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.34 1dxy s ALA 227 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1dxy s ALA 227 CO 0.00 -1.35 -0.23 0.42 0.00 0.00 0.00 175.76 174.60 1dxy s ILE 228 N -2.72 1.79 -0.07 0.00 1.01 -0.48 -0.89 121.20 119.85 1dxy s ILE 228 Ca 0.62 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1dxy s ILE 228 Cb -0.17 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 1dxy s ILE 228 CO 0.49 0.51 -0.21 -0.69 0.00 0.00 0.00 174.94 175.04 1dxy s VAL 229 N -0.50 1.77 -0.09 2.92 1.01 -1.11 -0.44 120.40 123.96 1dxy s VAL 229 Ca 0.08 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1dxy s VAL 229 Cb -0.09 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1dxy s VAL 229 CO -0.01 0.50 -0.22 -0.63 0.00 0.00 0.00 175.10 174.74 1dxy s ILE 230 N 0.19 2.30 -0.28 2.22 -1.09 0.77 -1.34 121.20 123.98 1dxy s ILE 230 Ca -0.11 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.35 1dxy s ILE 230 Cb -0.15 -1.88 0.09 0.00 -1.58 0.00 0.00 42.46 38.94 1dxy s ILE 230 CO 0.05 0.56 0.08 0.21 -1.23 0.00 0.00 174.94 174.61 1dxy s ASN 231 N 0.11 3.79 -0.04 3.58 2.47 0.36 -1.66 114.94 123.55 1dxy s ASN 231 Ca -0.10 -1.44 0.10 0.00 0.42 0.00 0.00 52.86 51.83 1dxy s ASN 231 Cb -0.16 -0.80 0.29 0.00 -1.45 0.00 0.00 41.25 39.13 1dxy s ASN 231 CO 0.06 -0.39 1.23 0.35 -3.72 0.00 0.00 177.10 174.64 1dxy n THR 232 N 4.90 1.26 0.00 -5.21 -2.24 -1.26 -1.35 114.28 110.37 1dxy n THR 232 Ca -0.04 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1dxy n THR 232 Cb 0.43 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1dxy n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dxy n ALA 233 N 0.07 0.00 -2.76 6.98 0.00 -1.25 -4.87 120.51 118.68 1dxy n ALA 233 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1dxy n ALA 233 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1dxy n ALA 233 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dxy s ARG 234 N 0.00 0.43 0.59 0.00 1.81 -1.26 -4.93 118.95 115.59 1dxy s ARG 234 Ca 0.00 -0.78 0.37 0.00 -1.72 0.00 0.00 55.73 53.60 1dxy s ARG 234 Cb 0.00 0.03 1.82 0.00 -0.45 0.00 0.00 34.95 36.35 1dxy s ARG 234 CO 0.00 -0.04 2.16 -1.35 -0.68 0.00 0.00 175.30 175.39 1dxy h PRO 235 N 4.27 0.00 -0.02 3.54 0.11 -1.85 -3.14 132.00 134.91 1dxy h PRO 235 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1dxy h PRO 235 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1dxy h PRO 235 CO 0.47 0.02 -0.12 0.27 -0.21 0.00 0.00 178.00 178.43 1dxy n ASN 236 N -3.18 1.77 0.15 -2.05 6.94 -1.26 -3.82 115.26 113.80 1dxy n ASN 236 Ca -0.01 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 1dxy n ASN 236 Cb 0.20 0.09 0.22 0.00 -2.36 0.00 0.00 39.78 37.93 1dxy n ASN 236 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1dxy h LEU 237 N 2.59 0.00 -8.63 -4.53 3.38 -1.74 0.37 115.31 106.74 1dxy h LEU 237 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1dxy h LEU 237 Cb 0.64 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.10 1dxy h LEU 237 CO 0.00 0.55 -0.84 -0.63 0.09 0.00 0.00 178.44 177.61 1dxy s ILE 238 N -3.69 2.41 -0.76 1.22 1.01 -1.26 -1.32 121.20 118.81 1dxy s ILE 238 Ca -0.01 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.43 1dxy s ILE 238 Cb 0.13 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.71 1dxy s ILE 238 CO 0.75 0.57 1.52 -0.62 0.00 0.00 0.00 174.94 177.16 1dxy s ASP 239 N -0.36 5.88 0.42 3.58 -1.08 -0.33 -4.78 116.67 120.00 1dxy s ASP 239 Ca 0.03 -0.40 0.12 0.00 -0.52 0.00 0.00 52.55 51.78 1dxy s ASP 239 Cb -0.12 -2.55 0.96 0.00 -1.46 0.00 0.00 42.92 39.75 1dxy s ASP 239 CO 0.02 -2.02 1.99 0.74 0.52 0.00 0.00 175.17 176.43 1dxy h THR 240 N 6.48 0.95 0.09 1.71 2.02 -1.95 -0.47 112.91 121.74 1dxy h THR 240 Ca -0.17 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1dxy h THR 240 Cb 1.07 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1dxy h THR 240 CO 1.28 0.09 -0.04 1.56 0.37 0.00 0.00 175.52 178.77 1dxy h GLN 241 N 0.48 -0.12 -0.55 6.66 1.08 -2.00 -0.15 115.11 120.51 1dxy h GLN 241 Ca 0.26 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 1dxy h GLN 241 Cb 0.40 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1dxy h GLN 241 CO -0.07 0.12 0.24 0.00 -0.95 0.00 0.00 178.83 178.17 1dxy h ALA 242 N 0.53 1.40 -0.08 3.87 0.00 -1.83 -2.11 119.26 121.03 1dxy h ALA 242 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dxy h ALA 242 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dxy h ALA 242 CO 0.02 0.47 0.05 1.98 0.00 0.00 0.00 179.25 181.77 1dxy h MET 243 N 0.78 0.11 -0.50 0.00 1.85 -0.76 -1.43 114.93 114.97 1dxy h MET 243 Ca 0.19 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.31 1dxy h MET 243 Cb 0.11 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 1dxy h MET 243 CO -0.02 0.10 0.25 1.25 -0.40 0.00 0.00 176.91 178.09 1dxy h LEU 244 N 0.08 0.37 -0.96 3.39 5.85 -0.63 0.14 115.31 123.55 1dxy h LEU 244 Ca 0.03 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1dxy h LEU 244 Cb 0.02 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1dxy h LEU 244 CO -0.01 0.26 0.63 0.28 -0.34 0.00 0.00 178.44 179.27 1dxy h SER 245 N 0.50 1.09 1.06 1.25 0.02 -1.13 -0.21 113.55 116.13 1dxy h SER 245 Ca 0.22 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1dxy h SER 245 Cb 0.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1dxy h SER 245 CO -0.15 0.78 -0.25 0.78 -1.14 0.00 0.00 176.83 176.86 1dxy h ASN 246 N 1.29 0.00 -0.05 3.07 2.35 -0.38 -0.63 115.58 121.22 1dxy h ASN 246 Ca 0.36 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.02 1dxy h ASN 246 Cb -0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1dxy h ASN 246 CO -0.08 0.25 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.57 1dxy h LEU 247 N 0.00 0.36 -0.93 1.61 3.38 -0.13 -1.00 115.31 118.60 1dxy h LEU 247 Ca -0.00 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 1dxy h LEU 247 Cb 0.85 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1dxy h LEU 247 CO 0.03 0.97 0.24 0.11 0.09 0.00 0.00 178.44 179.88 1dxy h LYS 248 N -0.22 1.02 0.00 1.13 1.57 -0.89 -1.85 116.57 117.33 1dxy h LYS 248 Ca -0.02 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1dxy h LYS 248 Cb 0.98 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1dxy h LYS 248 CO 0.06 0.85 0.00 0.66 -0.57 0.00 0.00 179.45 180.45 1dxy h SER 249 N 0.99 0.00 0.00 0.86 4.64 -1.20 -3.47 113.55 115.37 1dxy h SER 249 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1dxy h SER 249 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1dxy h SER 249 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1dxy n GLY 250 N 0.68 0.69 0.14 -0.77 0.00 -0.69 -4.95 105.19 100.29 1dxy n GLY 250 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1dxy n GLY 250 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dxy h LYS 251 N 4.27 0.35 -5.64 1.61 1.63 -1.46 -3.39 116.57 113.95 1dxy h LYS 251 Ca 0.00 -0.02 -0.59 0.00 -0.85 0.00 0.00 60.65 59.19 1dxy h LYS 251 Cb 0.00 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.46 1dxy h LYS 251 CO 0.00 0.23 -0.26 -0.51 -3.45 0.00 0.00 179.45 175.47 1dxy s LEU 252 N -10.20 4.29 0.17 5.20 1.43 -0.63 0.09 118.68 119.03 1dxy s LEU 252 Ca -0.13 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1dxy s LEU 252 Cb 0.10 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1dxy s LEU 252 CO 0.71 0.11 1.39 0.00 0.23 0.00 0.00 176.35 178.79 1dxy h ALA 253 N 6.38 0.55 -1.08 4.21 0.00 -1.16 -3.42 119.26 124.73 1dxy h ALA 253 Ca -0.43 -0.69 0.38 0.00 0.00 0.00 0.00 54.91 54.17 1dxy h ALA 253 Cb 1.18 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1dxy h ALA 253 CO 0.73 0.88 0.97 0.20 0.00 0.00 0.00 179.25 182.03 1dxy s GLY 254 N -4.47 -0.47 0.01 0.00 0.00 -1.24 -4.85 107.32 96.30 1dxy s GLY 254 Ca -0.03 1.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.62 1dxy s GLY 254 CO 0.83 0.21 0.14 -1.34 0.00 0.00 0.00 173.10 172.94 1dxy s VAL 255 N -2.08 0.09 -0.20 1.40 -7.23 -0.93 -2.74 120.40 108.70 1dxy s VAL 255 Ca 0.15 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1dxy s VAL 255 Cb 0.07 -0.53 0.04 0.00 0.56 0.00 0.00 36.38 36.52 1dxy s VAL 255 CO -0.06 -0.41 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.37 1dxy s GLY 256 N -1.52 1.34 -0.23 2.32 0.00 -0.45 -0.95 107.32 107.83 1dxy s GLY 256 Ca -0.13 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.32 1dxy s GLY 256 CO 0.01 0.63 -0.14 -0.42 0.00 0.00 0.00 173.10 173.17 1dxy s ILE 257 N 1.34 2.17 -0.09 0.90 -1.09 -0.16 -0.48 121.20 123.79 1dxy s ILE 257 Ca -0.01 -1.33 0.21 0.00 -2.23 0.00 0.00 60.65 57.28 1dxy s ILE 257 Cb -0.16 -2.13 -0.31 0.00 -1.58 0.00 0.00 42.46 38.28 1dxy s ILE 257 CO -0.08 0.21 0.34 -0.67 -1.23 0.00 0.00 174.94 173.50 1dxy n ASP 258 N 4.52 0.00 -3.91 3.58 2.03 -0.46 -1.59 116.55 120.72 1dxy n ASP 258 Ca -0.17 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.85 1dxy n ASP 258 Cb 0.45 1.64 -0.13 0.00 -0.72 0.00 0.00 41.12 42.37 1dxy n ASP 258 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1dxy s THR 259 N -3.16 2.60 0.27 5.18 -4.23 -1.23 -0.97 115.64 114.10 1dxy s THR 259 Ca -0.09 -3.60 -0.30 0.00 -1.18 0.00 0.00 61.69 56.53 1dxy s THR 259 Cb 0.11 -2.77 -0.10 0.00 1.34 0.00 0.00 72.50 71.08 1dxy s THR 259 CO 0.88 -0.88 1.40 -0.47 -0.54 0.00 0.00 174.62 175.01 1dxy s TYR 260 N -0.64 3.03 0.29 3.99 5.04 -1.26 -4.01 117.35 123.79 1dxy s TYR 260 Ca 0.20 1.14 0.04 0.00 -2.44 0.00 0.00 57.07 56.01 1dxy s TYR 260 Cb -0.18 -3.77 0.73 0.00 0.35 0.00 0.00 41.96 39.08 1dxy s TYR 260 CO -0.06 -2.42 1.71 1.49 -1.34 0.00 0.00 175.55 174.94 1dxy h GLU 261 N 4.60 0.46 -0.70 4.97 4.81 -1.92 -1.92 114.58 124.87 1dxy h GLU 261 Ca -0.47 -0.03 -0.37 0.00 -0.13 0.00 0.00 59.36 58.36 1dxy h GLU 261 Cb 1.22 -0.10 -0.22 0.00 0.63 0.00 0.00 28.75 30.28 1dxy h GLU 261 CO 0.74 0.30 0.30 0.66 -0.73 0.00 0.00 179.01 180.28 1dxy n TYR 262 N -4.99 2.17 0.01 0.92 4.01 -1.26 -4.72 117.16 113.30 1dxy n TYR 262 Ca 0.22 -1.79 -0.10 0.00 -0.16 0.00 0.00 57.90 56.07 1dxy n TYR 262 Cb 0.64 -0.75 -0.04 0.00 -0.31 0.00 0.00 39.34 38.88 1dxy n TYR 262 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1dxy h GLU 263 N 1.05 -0.12 -0.11 -0.72 4.81 -1.73 -0.89 114.58 116.87 1dxy h GLU 263 Ca 0.45 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.71 1dxy h GLU 263 Cb 2.23 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.61 1dxy h GLU 263 CO 0.79 -0.08 -0.09 1.15 -0.73 0.00 0.00 179.01 180.05 1dxy h THR 264 N -0.12 0.74 -0.36 0.32 2.02 -1.85 0.73 112.91 114.39 1dxy h THR 264 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1dxy h THR 264 Cb 0.23 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1dxy h THR 264 CO -0.17 0.00 0.23 -0.33 0.37 0.00 0.00 175.52 175.62 1dxy h GLU 265 N -0.10 0.48 -0.41 6.66 3.07 -1.90 -2.68 114.58 119.70 1dxy h GLU 265 Ca 0.07 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 1dxy h GLU 265 Cb 0.21 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1dxy h GLU 265 CO -0.17 0.32 0.04 -0.44 -1.40 0.00 0.00 179.01 177.36 1dxy h ASP 266 N 0.48 0.59 0.38 1.42 5.19 -0.80 -1.97 116.42 121.72 1dxy h ASP 266 Ca 0.13 -0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1dxy h ASP 266 Cb -0.05 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 1dxy h ASP 266 CO -0.03 0.63 -0.39 -0.07 -3.12 0.00 0.00 179.24 176.27 1dxy h LEU 267 N 0.61 0.01 -0.10 1.55 3.38 -0.59 0.43 115.31 120.60 1dxy h LEU 267 Ca 0.13 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1dxy h LEU 267 Cb 0.32 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1dxy h LEU 267 CO 0.01 0.40 -0.11 0.25 0.09 0.00 0.00 178.44 179.07 1dxy h LEU 268 N 0.01 0.28 -0.74 1.67 5.85 -1.08 -2.19 115.31 119.10 1dxy h LEU 268 Ca -0.00 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1dxy h LEU 268 Cb 0.70 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1dxy h LEU 268 CO 0.05 0.72 0.48 0.78 -0.34 0.00 0.00 178.44 180.13 1dxy h ASN 269 N -0.15 0.81 -0.61 1.25 2.35 -1.08 -1.59 115.58 116.56 1dxy h ASN 269 Ca 0.02 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1dxy h ASN 269 Cb 0.64 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 1dxy h ASN 269 CO 0.03 0.58 0.31 0.25 -1.65 0.00 0.00 177.43 176.94 1dxy h LEU 270 N 0.96 0.42 -0.07 1.61 5.85 -0.46 0.75 115.31 124.38 1dxy h LEU 270 Ca 0.28 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1dxy h LEU 270 Cb -0.05 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1dxy h LEU 270 CO -0.08 0.27 0.01 0.00 -0.34 0.00 0.00 178.44 178.30 1dxy h ALA 271 N 1.35 0.09 -0.13 1.25 0.00 -0.72 0.44 119.26 121.53 1dxy h ALA 271 Ca 0.28 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1dxy h ALA 271 Cb 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1dxy h ALA 271 CO -0.21 -0.26 -0.68 0.87 0.00 0.00 0.00 179.25 178.96 1dxy h LYS 272 N -0.14 0.70 -0.01 0.00 1.57 -1.17 -3.38 116.57 114.14 1dxy h LYS 272 Ca 0.02 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1dxy h LYS 272 Cb 0.29 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1dxy h LYS 272 CO 0.00 1.19 -0.06 0.72 -0.57 0.00 0.00 179.45 180.72 1dxy n HIS 273 N -4.04 0.00 -1.26 -1.35 8.25 0.26 -5.01 115.22 112.07 1dxy n HIS 273 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.29 1dxy n HIS 273 Cb 0.70 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.77 1dxy n HIS 273 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dxy n GLY 274 N 0.56 1.03 3.46 -1.41 0.00 0.15 -4.95 105.19 104.04 1dxy n GLY 274 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 1dxy n GLY 274 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dxy s SER 275 N -2.72 -0.60 0.34 1.61 0.15 -1.25 -4.94 113.70 106.30 1dxy s SER 275 Ca 0.00 0.31 0.13 0.00 0.70 0.00 0.00 55.95 57.09 1dxy s SER 275 Cb 0.00 0.57 0.62 0.00 -1.71 0.00 0.00 66.02 65.50 1dxy s SER 275 CO 0.00 -0.81 1.75 -0.26 1.20 0.00 0.00 173.24 175.12 1dxy h PHE 276 N 2.44 0.00 -5.51 3.44 -1.00 -1.86 -2.54 116.94 111.92 1dxy h PHE 276 Ca -0.31 0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.05 1dxy h PHE 276 Cb 1.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.79 1dxy h PHE 276 CO 0.30 0.45 -0.65 1.63 -1.61 0.00 0.00 178.31 178.42 1dxy n LYS 277 N -3.91 -4.96 -3.94 1.51 4.76 -1.26 -4.75 118.16 105.61 1dxy n LYS 277 Ca -0.01 0.67 -0.31 0.00 -2.87 0.00 0.00 58.31 55.79 1dxy n LYS 277 Cb 0.48 -5.52 -0.15 0.00 -1.84 0.00 0.00 35.03 28.01 1dxy n LYS 277 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1dxy s ASP 278 N -2.97 4.34 0.44 4.39 -1.08 -1.26 -4.99 116.67 115.55 1dxy s ASP 278 Ca 0.48 -1.72 0.17 0.00 -0.52 0.00 0.00 52.55 50.96 1dxy s ASP 278 Cb -0.24 -1.33 1.01 0.00 -1.46 0.00 0.00 42.92 40.90 1dxy s ASP 278 CO 0.60 -0.33 1.95 -0.65 0.52 0.00 0.00 175.17 177.26 1dxy h PRO 279 N 7.82 0.00 -0.10 4.34 0.11 -1.99 -1.85 132.00 140.34 1dxy h PRO 279 Ca -0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 1dxy h PRO 279 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dxy h PRO 279 CO 0.48 0.23 -0.17 1.25 -0.21 0.00 0.00 178.00 179.57 1dxy h LEU 280 N 0.00 0.32 -0.05 2.35 5.85 -1.99 -1.62 115.31 120.17 1dxy h LEU 280 Ca -0.00 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.20 1dxy h LEU 280 Cb 0.44 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1dxy h LEU 280 CO 0.03 0.81 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.56 1dxy h TRP 281 N -0.15 -0.33 -0.98 1.25 2.91 -1.91 -1.33 115.95 115.41 1dxy h TRP 281 Ca 0.01 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.12 1dxy h TRP 281 Cb 0.74 0.15 -0.07 0.00 -0.51 0.00 0.00 29.16 29.48 1dxy h TRP 281 CO 0.10 -0.19 0.62 -0.44 -1.03 0.00 0.00 178.44 177.51 1dxy h ASP 282 N -0.19 0.98 -0.43 2.65 3.32 -1.32 0.36 116.42 121.79 1dxy h ASP 282 Ca 0.06 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1dxy h ASP 282 Cb 0.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1dxy h ASP 282 CO -0.17 0.61 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.81 1dxy h GLU 283 N 1.11 0.80 -0.24 3.56 4.81 -0.78 -2.68 114.58 121.17 1dxy h GLU 283 Ca 0.44 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1dxy h GLU 283 Cb 0.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1dxy h GLU 283 CO -0.19 0.90 0.08 -0.07 -0.73 0.00 0.00 179.01 179.00 1dxy h LEU 284 N 0.63 0.34 -2.39 1.64 3.38 -0.50 -2.71 115.31 115.70 1dxy h LEU 284 Ca 0.11 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1dxy h LEU 284 Cb 0.59 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1dxy h LEU 284 CO 0.04 0.44 0.06 0.25 0.09 0.00 0.00 178.44 179.31 1dxy h LEU 285 N 0.22 0.00 -0.52 1.67 5.85 -0.92 -0.99 115.31 120.61 1dxy h LEU 285 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1dxy h LEU 285 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1dxy h LEU 285 CO -0.00 0.00 -0.08 0.61 -0.34 0.00 0.00 178.44 178.63 1dxy n GLY 286 N -1.35 -0.53 3.60 3.75 0.00 -1.01 -4.79 105.19 104.86 1dxy n GLY 286 Ca -0.02 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1dxy n GLY 286 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dxy s MET 287 N -2.23 3.98 0.23 1.61 -1.94 -0.38 -4.96 119.30 115.61 1dxy s MET 287 Ca 0.34 -0.17 0.21 0.00 -1.71 0.00 0.00 55.69 54.36 1dxy s MET 287 Cb 0.21 -3.65 0.92 0.00 2.01 0.00 0.00 34.83 34.32 1dxy s MET 287 CO 0.41 -0.21 1.63 -0.35 -0.01 0.00 0.00 175.02 176.50 1dxy n PRO 288 N 5.13 0.15 -0.64 2.03 -0.04 -1.26 -2.03 135.00 138.33 1dxy n PRO 288 Ca -0.12 0.46 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 1dxy n PRO 288 Cb 0.51 -1.83 0.32 0.00 -0.04 0.00 0.00 33.50 32.47 1dxy n PRO 288 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1dxy n ASN 289 N -2.11 4.52 -4.08 3.54 6.94 -1.26 -3.71 115.26 119.10 1dxy n ASN 289 Ca 0.01 -2.59 -0.28 0.00 -0.02 0.00 0.00 54.58 51.70 1dxy n ASN 289 Cb 0.16 -0.60 -0.17 0.00 -2.36 0.00 0.00 39.78 36.82 1dxy n ASN 289 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1dxy s VAL 290 N -2.16 1.51 -0.30 3.53 1.01 -0.86 -2.20 120.40 120.92 1dxy s VAL 290 Ca 0.44 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1dxy s VAL 290 Cb 0.31 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 35.40 1dxy s VAL 290 CO 0.16 0.44 -0.02 0.54 0.00 0.00 0.00 175.10 176.22 1dxy s VAL 291 N 0.79 2.45 0.09 2.92 0.11 -0.12 -4.87 120.40 121.77 1dxy s VAL 291 Ca -0.11 -1.80 -0.06 0.00 -2.93 0.00 0.00 61.98 57.07 1dxy s VAL 291 Cb -0.16 -2.55 -0.05 0.00 -1.53 0.00 0.00 36.38 32.09 1dxy s VAL 291 CO 0.02 -0.24 0.35 -0.76 -3.33 0.00 0.00 175.10 171.13 1dxy s LEU 292 N 1.08 4.32 -0.00 2.54 1.43 -1.26 -0.99 118.68 125.80 1dxy s LEU 292 Ca -0.02 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1dxy s LEU 292 Cb -0.20 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 1dxy s LEU 292 CO -0.05 0.14 0.06 -0.94 0.23 0.00 0.00 176.35 175.79 1dxy s SER 293 N -2.07 0.06 -1.58 2.29 1.04 -0.62 -4.96 113.70 107.86 1dxy s SER 293 Ca 0.35 -0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 1dxy s SER 293 Cb -0.13 0.16 -0.08 0.00 0.10 0.00 0.00 66.02 66.07 1dxy s SER 293 CO 0.21 -0.23 2.86 -0.81 0.98 0.00 0.00 173.24 176.24 1dxy n PRO 294 N 2.04 3.55 -3.59 4.02 -0.04 -1.26 -4.38 135.00 135.34 1dxy n PRO 294 Ca -0.20 -2.21 -0.24 0.00 -0.04 0.00 0.00 63.50 60.81 1dxy n PRO 294 Cb 0.57 -2.84 0.05 0.00 -0.04 0.00 0.00 33.50 31.24 1dxy n PRO 294 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1dxy n HIS 295 N 3.88 -2.04 -0.56 0.54 -0.00 -0.14 -4.93 115.22 111.97 1dxy n HIS 295 Ca 0.75 0.67 0.05 0.00 0.46 0.00 0.00 57.72 59.65 1dxy n HIS 295 Cb 0.24 -3.89 0.07 0.00 -0.12 0.00 0.00 29.99 26.30 1dxy n HIS 295 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1dxy n ILE 296 N -3.98 1.45 0.17 3.57 -5.35 -1.26 -4.75 119.36 109.21 1dxy n ILE 296 Ca -0.15 -1.64 0.14 0.00 -0.27 0.00 0.00 62.75 60.83 1dxy n ILE 296 Cb 0.63 0.12 0.71 0.00 -1.74 0.00 0.00 39.64 39.36 1dxy n ILE 296 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dxy h ALA 297 N 0.00 2.10 0.00 -1.28 0.00 -1.91 -0.04 119.26 118.12 1dxy h ALA 297 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dxy h ALA 297 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1dxy h ALA 297 CO 0.00 -0.27 -0.44 0.10 0.00 0.00 0.00 179.25 178.63 1dxy h TYR 298 N 0.00 0.00 -0.10 0.00 -0.00 -1.85 -3.07 116.97 111.95 1dxy h TYR 298 Ca 0.10 0.00 -0.55 0.00 -0.00 0.00 0.00 58.73 58.28 1dxy h TYR 298 Cb 0.43 0.00 0.04 0.00 -0.00 0.00 0.00 36.73 37.20 1dxy h TYR 298 CO 0.00 0.00 1.83 0.98 -0.00 0.00 0.00 178.16 180.97 1dxy n TYR 299 N -2.32 1.76 -4.31 0.10 9.36 -0.03 -4.60 117.16 117.12 1dxy n TYR 299 Ca 0.04 -1.50 -0.17 0.00 3.32 0.00 0.00 57.90 59.59 1dxy n TYR 299 Cb 0.46 -1.80 -0.10 0.00 -0.63 0.00 0.00 39.34 37.27 1dxy n TYR 299 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1dxy s THR 300 N 7.01 1.33 0.23 2.97 -4.23 -1.26 -5.04 115.64 116.64 1dxy s THR 300 Ca 0.62 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1dxy s THR 300 Cb 0.11 -2.07 0.20 0.00 1.34 0.00 0.00 72.50 72.07 1dxy s THR 300 CO 0.16 -0.57 1.88 -0.33 -0.54 0.00 0.00 174.62 175.23 1dxy h GLU 301 N 2.60 1.06 -0.23 3.99 5.08 -1.99 -1.41 114.58 123.68 1dxy h GLU 301 Ca -0.38 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1dxy h GLU 301 Cb 1.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1dxy h GLU 301 CO 0.64 0.70 0.12 1.15 -1.00 0.00 0.00 179.01 180.61 1dxy h THR 302 N 1.09 1.13 -0.10 1.13 2.02 -1.96 -1.00 112.91 115.22 1dxy h THR 302 Ca 0.33 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1dxy h THR 302 Cb -0.04 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1dxy h THR 302 CO -0.10 0.13 0.07 0.00 0.37 0.00 0.00 175.52 175.99 1dxy h ALA 303 N 0.99 0.13 -0.76 6.16 0.00 -1.74 -0.60 119.26 123.43 1dxy h ALA 303 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1dxy h ALA 303 Cb 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1dxy h ALA 303 CO -0.01 -0.38 0.29 0.28 0.00 0.00 0.00 179.25 179.43 1dxy h VAL 304 N 0.13 1.26 -0.63 0.00 2.07 -1.24 0.79 116.25 118.63 1dxy h VAL 304 Ca 0.04 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1dxy h VAL 304 Cb -0.01 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1dxy h VAL 304 CO -0.01 0.33 0.41 -0.74 0.02 0.00 0.00 177.57 177.59 1dxy h HIS 305 N 1.10 0.80 -0.22 1.57 6.17 -0.95 -2.42 115.15 121.20 1dxy h HIS 305 Ca 0.25 0.02 -0.13 0.00 0.71 0.00 0.00 60.37 61.22 1dxy h HIS 305 Cb 0.23 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 1dxy h HIS 305 CO 0.02 0.51 -0.40 -0.91 0.71 0.00 0.00 177.93 177.86 1dxy h ASN 306 N 0.86 0.54 -0.48 3.26 2.35 -0.41 -0.34 115.58 121.37 1dxy h ASN 306 Ca 0.23 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1dxy h ASN 306 Cb -0.09 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1dxy h ASN 306 CO -0.05 0.89 0.28 0.24 -1.65 0.00 0.00 177.43 177.13 1dxy h MET 307 N 0.43 0.54 0.53 0.81 2.86 -0.60 0.23 114.93 119.72 1dxy h MET 307 Ca 0.04 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1dxy h MET 307 Cb 0.88 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.43 1dxy h MET 307 CO 0.08 0.36 -0.26 0.28 1.06 0.00 0.00 176.91 178.43 1dxy h VAL 308 N 0.55 0.00 -0.64 -2.22 2.07 -1.29 -2.88 116.25 111.85 1dxy h VAL 308 Ca 0.19 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1dxy h VAL 308 Cb 0.03 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1dxy h VAL 308 CO -0.09 0.00 0.42 1.88 0.02 0.00 0.00 177.57 179.79 1dxy h TYR 309 N -1.13 0.81 -0.20 1.57 -1.99 -1.02 -2.11 116.97 112.90 1dxy h TYR 309 Ca -0.07 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1dxy h TYR 309 Cb 0.55 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1dxy h TYR 309 CO 0.01 0.51 -0.01 0.74 -0.00 0.00 0.00 178.16 179.41 1dxy h PHE 310 N 0.86 0.39 -0.81 4.88 0.04 -0.68 -1.73 116.94 119.89 1dxy h PHE 310 Ca 0.23 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1dxy h PHE 310 Cb -0.09 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 1dxy h PHE 310 CO -0.03 0.56 0.46 0.66 -0.60 0.00 0.00 178.31 179.36 1dxy h SER 311 N 0.11 1.00 -0.25 2.17 4.64 -1.42 -0.61 113.55 119.19 1dxy h SER 311 Ca 0.06 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1dxy h SER 311 Cb 0.41 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1dxy h SER 311 CO 0.01 0.80 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.57 1dxy h LEU 312 N 1.12 0.65 -0.61 5.97 3.38 -1.36 -1.32 115.31 123.14 1dxy h LEU 312 Ca 0.29 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1dxy h LEU 312 Cb 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1dxy h LEU 312 CO -0.05 0.80 -0.05 -0.61 0.09 0.00 0.00 178.44 178.62 1dxy h GLN 313 N 0.60 1.05 -0.70 1.13 5.75 -0.76 -0.36 115.11 121.81 1dxy h GLN 313 Ca 0.10 -0.35 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 1dxy h GLN 313 Cb 0.56 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1dxy h GLN 313 CO 0.04 1.05 0.34 0.45 -2.65 0.00 0.00 178.83 178.06 1dxy h HIS 314 N 0.94 0.99 -0.03 3.99 3.86 -0.53 0.26 115.15 124.63 1dxy h HIS 314 Ca 0.16 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1dxy h HIS 314 Cb 0.61 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1dxy h HIS 314 CO 0.04 0.72 0.01 1.25 0.86 0.00 0.00 177.93 180.81 1dxy h LEU 315 N 1.00 0.04 -1.55 2.43 5.85 -0.69 -0.82 115.31 121.57 1dxy h LEU 315 Ca 0.24 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1dxy h LEU 315 Cb 0.09 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1dxy h LEU 315 CO -0.03 0.21 0.31 0.58 -0.34 0.00 0.00 178.44 179.17 1dxy h VAL 316 N -0.13 1.12 0.24 1.05 2.07 -0.61 -0.56 116.25 119.42 1dxy h VAL 316 Ca 0.01 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1dxy h VAL 316 Cb 0.18 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1dxy h VAL 316 CO -0.00 0.11 -0.11 0.44 0.02 0.00 0.00 177.57 178.03 1dxy h ASP 317 N 0.63 -0.27 0.01 0.57 3.32 0.12 -1.45 116.42 119.35 1dxy h ASP 317 Ca 0.17 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1dxy h ASP 317 Cb -0.07 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1dxy h ASP 317 CO -0.04 -0.10 -0.19 -0.26 -1.72 0.00 0.00 179.24 176.93 1dxy h PHE 318 N -0.42 -0.50 0.00 4.55 0.04 -0.63 0.28 116.94 120.26 1dxy h PHE 318 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1dxy h PHE 318 Cb 0.32 0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1dxy h PHE 318 CO -0.03 -0.27 0.00 -0.07 -0.60 0.00 0.00 178.31 177.34 1dxy h LEU 319 N -0.31 0.00 0.00 1.54 3.38 -1.00 -0.57 115.31 118.35 1dxy h LEU 319 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dxy h LEU 319 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1dxy h LEU 319 CO -0.17 0.00 -0.95 0.35 0.09 0.00 0.00 178.44 177.76 1dxy n THR 320 N -2.40 0.00 0.95 0.22 -2.24 -0.56 -4.79 114.28 105.46 1dxy n THR 320 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1dxy n THR 320 Cb 0.09 -1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 67.26 1dxy n THR 320 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1dxy n LYS 321 N -2.74 0.04 -1.03 -0.78 5.02 0.92 -4.97 118.16 114.61 1dxy n LYS 321 Ca 0.00 -0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1dxy n LYS 321 Cb 0.48 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1dxy n LYS 321 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dxy n GLY 322 N 1.49 0.35 3.30 0.72 0.00 -0.22 -4.96 105.19 105.85 1dxy n GLY 322 Ca 0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1dxy n GLY 322 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dxy s GLU 323 N -1.15 0.99 -0.10 1.61 2.02 -1.25 -4.91 118.70 115.91 1dxy s GLU 323 Ca 0.00 -0.65 -0.24 0.00 0.02 0.00 0.00 54.97 54.10 1dxy s GLU 323 Cb 0.00 0.43 0.06 0.00 0.10 0.00 0.00 34.13 34.72 1dxy s GLU 323 CO 0.00 -0.36 0.58 -0.08 0.02 0.00 0.00 175.26 175.41 1dxy s THR 324 N -3.42 0.01 0.58 3.63 -1.32 -1.26 -3.73 115.64 110.13 1dxy s THR 324 Ca 0.01 -0.10 0.27 0.00 -1.21 0.00 0.00 61.69 60.66 1dxy s THR 324 Cb 0.01 -0.87 0.35 0.00 -1.51 0.00 0.00 72.50 70.49 1dxy s THR 324 CO -0.09 -0.06 2.12 0.77 -2.21 0.00 0.00 174.62 175.15 1dxy h SER 325 N 3.86 0.00 -0.56 8.08 4.64 -2.00 -2.92 113.55 124.65 1dxy h SER 325 Ca -0.28 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.79 1dxy h SER 325 Cb 1.16 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 1dxy h SER 325 CO 0.31 0.00 0.17 0.35 -0.87 0.00 0.00 176.83 176.79 1dxy n THR 326 N -3.92 2.74 -1.94 2.95 -2.24 -1.26 -5.01 114.28 105.60 1dxy n THR 326 Ca 0.01 -2.30 -0.42 0.00 -2.27 0.00 0.00 64.05 59.07 1dxy n THR 326 Cb 0.29 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1dxy n THR 326 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1dxy s GLU 327 N -3.19 4.22 -0.12 -0.78 2.12 -1.11 -2.64 118.70 117.21 1dxy s GLU 327 Ca 0.49 2.37 -0.05 0.00 0.36 0.00 0.00 54.97 58.14 1dxy s GLU 327 Cb 0.42 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 1dxy s GLU 327 CO 0.05 -0.51 0.07 0.08 -0.54 0.00 0.00 175.26 174.41 1dxy s VAL 328 N 0.33 4.94 -0.02 3.70 1.01 0.25 -4.94 120.40 125.68 1dxy s VAL 328 Ca 0.63 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.63 1dxy s VAL 328 Cb -0.44 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1dxy s VAL 328 CO 0.41 0.58 0.99 0.35 0.00 0.00 0.00 175.10 177.43 1dxy n THR 329 N 2.38 0.25 0.00 3.92 -2.24 -1.26 -4.45 114.28 112.87 1dxy n THR 329 Ca -0.19 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1dxy n THR 329 Cb 0.54 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1dxy n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11