#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtt s LEU 3 N 0.00 3.18 -0.42 2.45 2.96 -1.26 -0.90 118.68 124.70 1xtt s LEU 3 Ca 0.00 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1xtt s LEU 3 Cb 0.00 -1.79 0.12 0.00 0.50 0.00 0.00 46.19 45.02 1xtt s LEU 3 CO 0.00 0.10 0.16 -0.31 -1.32 0.00 0.00 176.35 174.98 1xtt s TYR 4 N 0.76 3.13 -0.47 5.38 1.51 0.11 -4.97 117.35 122.80 1xtt s TYR 4 Ca -0.01 -2.88 -0.23 0.00 -1.01 0.00 0.00 57.07 52.94 1xtt s TYR 4 Cb -0.14 -2.64 0.03 0.00 -0.11 0.00 0.00 41.96 39.09 1xtt s TYR 4 CO 0.02 -0.84 0.80 0.08 -1.11 0.00 0.00 175.55 174.49 1xtt s VAL 5 N 0.46 4.63 -1.12 0.71 1.01 -1.26 -1.87 120.40 122.95 1xtt s VAL 5 Ca 0.14 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.32 1xtt s VAL 5 Cb -0.22 -4.35 0.18 0.00 0.00 0.00 0.00 36.38 31.98 1xtt s VAL 5 CO -0.06 -0.78 1.30 -0.63 0.00 0.00 0.00 175.10 174.93 1xtt s ILE 6 N 3.34 5.11 -0.68 2.22 -1.09 0.59 -4.85 121.20 125.84 1xtt s ILE 6 Ca 0.29 -2.50 0.01 0.00 -2.23 0.00 0.00 60.65 56.22 1xtt s ILE 6 Cb -0.13 -4.83 0.37 0.00 -1.58 0.00 0.00 42.46 36.30 1xtt s ILE 6 CO 0.21 -1.52 1.58 -0.90 -1.23 0.00 0.00 174.94 173.08 1xtt n ASP 7 N 5.41 6.20 -4.87 3.58 5.75 -1.26 -4.51 116.55 126.85 1xtt n ASP 7 Ca 0.31 -3.77 -0.31 0.00 -0.01 0.00 0.00 54.79 51.02 1xtt n ASP 7 Cb 0.44 -0.80 0.01 0.00 -1.03 0.00 0.00 41.12 39.73 1xtt n ASP 7 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1xtt s LYS 8 N -3.85 3.61 0.25 0.11 1.02 -1.26 -4.80 119.74 114.81 1xtt s LYS 8 Ca 0.49 0.69 -0.07 0.00 0.02 0.00 0.00 55.97 57.10 1xtt s LYS 8 Cb 0.39 -2.12 0.43 0.00 -0.52 0.00 0.00 37.83 36.02 1xtt s LYS 8 CO -0.29 -0.51 1.62 -1.35 -0.92 0.00 0.00 175.35 173.90 1xtt h PRO 9 N -0.20 0.07 -0.29 -1.68 0.11 -1.98 -0.74 132.00 127.29 1xtt h PRO 9 Ca -0.44 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1xtt h PRO 9 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xtt h PRO 9 CO 0.62 0.05 -0.32 0.97 -0.21 0.00 0.00 178.00 179.11 1xtt h ILE 10 N 0.07 1.28 -0.13 4.15 6.09 -1.99 0.44 117.51 127.43 1xtt h ILE 10 Ca 0.41 -1.44 -0.14 0.00 -1.37 0.00 0.00 64.86 62.32 1xtt h ILE 10 Cb 0.72 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1xtt h ILE 10 CO -0.71 0.46 -0.53 0.71 -3.07 0.00 0.00 178.15 175.01 1xtt h THR 11 N 0.53 1.34 -0.04 2.19 1.35 -1.66 -1.14 112.91 115.48 1xtt h THR 11 Ca 0.06 -1.79 -0.14 0.00 -0.55 0.00 0.00 66.41 63.99 1xtt h THR 11 Cb 0.81 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 1xtt h THR 11 CO 0.07 0.54 -0.59 -0.07 -0.25 0.00 0.00 175.52 175.22 1xtt h LEU 12 N 0.29 0.15 -0.22 3.87 3.38 -0.92 0.34 115.31 122.20 1xtt h LEU 12 Ca 0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1xtt h LEU 12 Cb 1.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1xtt h LEU 12 CO 0.09 0.71 -0.01 -0.74 0.09 0.00 0.00 178.44 178.58 1xtt h HIS 13 N 0.10 0.43 -0.40 1.13 2.76 -0.61 -1.45 115.15 117.11 1xtt h HIS 13 Ca -0.01 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 1xtt h HIS 13 Cb 1.07 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 1xtt h HIS 13 CO 0.01 0.58 0.13 0.82 -1.30 0.00 0.00 177.93 178.17 1xtt h ILE 14 N 0.14 1.21 -0.96 6.26 2.04 -1.05 -2.64 117.51 122.52 1xtt h ILE 14 Ca 0.06 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1xtt h ILE 14 Cb 0.42 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1xtt h ILE 14 CO 0.01 0.25 0.62 0.25 0.00 0.00 0.00 178.15 179.28 1xtt h LEU 15 N 0.50 0.98 -0.98 1.44 5.85 -0.84 -0.92 115.31 121.33 1xtt h LEU 15 Ca 0.13 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1xtt h LEU 15 Cb 0.25 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1xtt h LEU 15 CO -0.00 0.63 0.64 0.74 -0.34 0.00 0.00 178.44 180.10 1xtt h THR 16 N 1.11 1.18 -0.27 1.05 2.02 -0.91 0.14 112.91 117.23 1xtt h THR 16 Ca 0.41 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1xtt h THR 16 Cb 0.17 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1xtt h THR 16 CO -0.16 0.23 -0.28 1.56 0.37 0.00 0.00 175.52 177.25 1xtt h GLN 17 N 1.25 0.53 -0.36 6.66 1.08 -0.94 -1.27 115.11 122.06 1xtt h GLN 17 Ca 0.38 -0.21 -0.13 0.00 -1.45 0.00 0.00 58.65 57.24 1xtt h GLN 17 Cb -0.03 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1xtt h GLN 17 CO -0.12 0.76 -0.28 -0.07 -0.95 0.00 0.00 178.83 178.17 1xtt h LEU 18 N 0.46 0.87 -0.57 1.46 3.38 -0.17 -3.18 115.31 117.57 1xtt h LEU 18 Ca 0.06 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 1xtt h LEU 18 Cb 0.72 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1xtt h LEU 18 CO 0.06 1.13 -0.13 0.03 0.09 0.00 0.00 178.44 179.61 1xtt h ARG 19 N 0.61 1.01 -6.17 1.13 3.08 -0.62 -3.45 114.38 109.97 1xtt h ARG 19 Ca 0.07 -0.38 -0.71 0.00 0.07 0.00 0.00 59.98 59.02 1xtt h ARG 19 Cb 0.86 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.86 1xtt h ARG 19 CO 0.07 1.06 0.98 -3.47 -1.07 0.00 0.00 179.97 177.54 1xtt n ASP 20 N -4.14 2.62 0.28 7.04 -0.08 -0.50 -4.80 116.55 116.98 1xtt n ASP 20 Ca 0.01 1.02 0.14 0.00 -1.51 0.00 0.00 54.79 54.45 1xtt n ASP 20 Cb 0.41 -1.20 0.83 0.00 2.34 0.00 0.00 41.12 43.51 1xtt n ASP 20 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1xtt h LYS 21 N 7.92 0.00 0.00 -0.67 2.10 -1.88 -2.21 116.57 121.84 1xtt h LYS 21 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1xtt h LYS 21 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1xtt h LYS 21 CO 0.96 0.05 0.00 0.66 -2.00 0.00 0.00 179.45 179.13 1xtt n TYR 22 N -3.78 0.50 -2.33 0.07 4.02 -1.26 -4.75 117.16 109.63 1xtt n TYR 22 Ca -0.02 0.16 -0.43 0.00 -0.01 0.00 0.00 57.90 57.60 1xtt n TYR 22 Cb 0.15 -0.77 -0.02 0.00 -0.02 0.00 0.00 39.34 38.68 1xtt n TYR 22 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1xtt s THR 23 N -3.10 3.98 1.06 -0.72 2.01 -0.83 -5.00 115.64 113.03 1xtt s THR 23 Ca 0.10 1.08 -0.14 0.00 0.31 0.00 0.00 61.69 63.03 1xtt s THR 23 Cb 0.13 -4.06 0.22 0.00 0.01 0.00 0.00 72.50 68.80 1xtt s THR 23 CO 0.48 -0.50 1.10 1.51 -0.69 0.00 0.00 174.62 176.52 1xtt s ASP 24 N 3.44 2.13 0.37 3.53 1.47 -1.26 -4.67 116.67 121.68 1xtt s ASP 24 Ca 0.61 1.01 0.05 0.00 1.18 0.00 0.00 52.55 55.40 1xtt s ASP 24 Cb -0.18 -1.57 0.72 0.00 -0.34 0.00 0.00 42.92 41.55 1xtt s ASP 24 CO 0.27 -3.42 2.00 0.06 0.68 0.00 0.00 175.17 174.76 1xtt h GLN 25 N -2.09 0.65 0.11 2.11 3.07 -1.85 0.92 115.11 118.02 1xtt h GLN 25 Ca -0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.15 1xtt h GLN 25 Cb 1.32 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1xtt h GLN 25 CO 0.52 0.47 -0.05 0.82 0.09 0.00 0.00 178.83 180.68 1xtt h ILE 26 N 0.66 0.94 0.00 1.86 2.04 -1.86 -0.19 117.51 120.96 1xtt h ILE 26 Ca 0.17 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1xtt h ILE 26 Cb 0.01 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1xtt h ILE 26 CO -0.03 0.04 -0.48 0.78 0.00 0.00 0.00 178.15 178.46 1xtt h ASN 27 N -0.23 0.00 -0.07 1.72 2.35 -1.85 -1.52 115.58 115.98 1xtt h ASN 27 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1xtt h ASN 27 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1xtt h ASN 27 CO 0.03 0.48 -0.01 0.15 -1.65 0.00 0.00 177.43 176.42 1xtt h PHE 28 N 0.00 0.15 -0.68 1.19 3.57 -0.59 -2.11 116.94 118.47 1xtt h PHE 28 Ca -0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1xtt h PHE 28 Cb 0.89 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1xtt h PHE 28 CO 0.00 0.43 0.15 0.00 -2.23 0.00 0.00 178.31 176.66 1xtt h ARG 29 N -0.18 1.09 -0.59 1.11 3.08 -0.94 -1.63 114.38 116.32 1xtt h ARG 29 Ca 0.02 -0.26 0.07 0.00 0.07 0.00 0.00 59.98 59.87 1xtt h ARG 29 Cb 0.38 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1xtt h ARG 29 CO 0.01 0.97 0.28 -0.22 -1.07 0.00 0.00 179.97 179.94 1xtt h LYS 30 N 1.03 0.51 -0.07 0.04 3.64 -1.19 -0.69 116.57 119.83 1xtt h LYS 30 Ca 0.21 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1xtt h LYS 30 Cb 0.38 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1xtt h LYS 30 CO 0.00 0.34 -0.47 -0.91 -2.27 0.00 0.00 179.45 176.14 1xtt h ASN 31 N 0.52 0.18 -0.46 4.20 2.35 -1.01 -2.33 115.58 119.04 1xtt h ASN 31 Ca 0.27 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 1xtt h ASN 31 Cb 0.23 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1xtt h ASN 31 CO -0.21 0.63 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.02 1xtt h LEU 32 N 0.14 0.93 -0.40 1.61 3.38 -0.49 -1.28 115.31 119.21 1xtt h LEU 32 Ca 0.01 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1xtt h LEU 32 Cb 0.88 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1xtt h LEU 32 CO 0.07 1.05 0.18 0.58 0.09 0.00 0.00 178.44 180.41 1xtt h VAL 33 N 0.83 1.18 -0.67 1.22 2.07 -0.89 -0.50 116.25 119.49 1xtt h VAL 33 Ca 0.13 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1xtt h VAL 33 Cb 0.64 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1xtt h VAL 33 CO 0.04 0.20 0.39 0.03 0.02 0.00 0.00 177.57 178.25 1xtt h ARG 34 N 0.50 0.71 -0.13 1.57 3.08 -1.16 -1.26 114.38 117.69 1xtt h ARG 34 Ca 0.14 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1xtt h ARG 34 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1xtt h ARG 34 CO -0.01 0.47 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.95 1xtt h LEU 35 N 0.73 0.27 -0.51 3.04 3.38 -0.92 -0.96 115.31 120.34 1xtt h LEU 35 Ca 0.29 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xtt h LEU 35 Cb 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xtt h LEU 35 CO -0.16 0.59 0.25 1.23 0.09 0.00 0.00 178.44 180.44 1xtt h GLY 36 N 1.09 0.78 0.87 0.83 0.00 0.02 0.22 103.07 106.88 1xtt h GLY 36 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1xtt h GLY 36 CO 0.05 0.36 0.06 3.21 0.00 0.00 0.00 176.54 180.22 1xtt h ARG 37 N 0.68 0.22 -0.33 4.80 3.08 -1.00 -0.56 114.38 121.27 1xtt h ARG 37 Ca 0.18 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1xtt h ARG 37 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1xtt h ARG 37 CO -0.02 0.32 0.17 0.82 -1.07 0.00 0.00 179.97 180.19 1xtt h ILE 38 N 0.08 1.15 -0.09 2.04 2.04 -0.93 -0.20 117.51 121.59 1xtt h ILE 38 Ca 0.05 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 1xtt h ILE 38 Cb 0.19 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1xtt h ILE 38 CO -0.00 0.15 -0.33 -0.07 0.00 0.00 0.00 178.15 177.90 1xtt h LEU 39 N 0.40 0.18 -0.68 1.44 3.38 -0.54 -0.61 115.31 118.89 1xtt h LEU 39 Ca 0.11 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1xtt h LEU 39 Cb 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xtt h LEU 39 CO -0.02 0.51 0.18 1.23 0.09 0.00 0.00 178.44 180.44 1xtt h GLY 40 N 1.08 1.15 0.90 0.83 0.00 -0.59 0.35 103.07 106.79 1xtt h GLY 40 Ca 0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1xtt h GLY 40 CO 0.05 0.66 0.09 -1.82 0.00 0.00 0.00 176.54 175.52 1xtt h TYR 41 N 1.00 0.34 -0.86 5.60 3.20 -0.40 0.10 116.97 125.96 1xtt h TYR 41 Ca 0.21 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1xtt h TYR 41 Cb 0.34 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1xtt h TYR 41 CO 0.03 0.37 0.43 0.93 -1.64 0.00 0.00 178.16 178.28 1xtt h GLU 42 N 0.21 1.22 -0.35 1.82 4.39 -0.86 -2.56 114.58 118.46 1xtt h GLU 42 Ca 0.07 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1xtt h GLU 42 Cb 0.18 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1xtt h GLU 42 CO -0.01 0.93 0.08 0.82 -1.16 0.00 0.00 179.01 179.67 1xtt h ILE 43 N 1.21 1.23 -0.90 3.13 2.04 -0.74 -2.74 117.51 120.73 1xtt h ILE 43 Ca 0.30 -0.78 0.21 0.00 1.00 0.00 0.00 64.86 65.58 1xtt h ILE 43 Cb 0.09 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1xtt h ILE 43 CO -0.04 0.26 0.60 0.28 0.00 0.00 0.00 178.15 179.25 1xtt h SER 44 N 0.41 0.39 0.13 1.72 0.02 -0.58 0.10 113.55 115.74 1xtt h SER 44 Ca 0.11 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1xtt h SER 44 Cb 0.32 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1xtt h SER 44 CO 0.00 0.15 0.00 0.59 -1.14 0.00 0.00 176.83 176.44 1xtt n ASN 45 N -4.50 0.00 -0.35 3.07 3.02 -1.03 -2.64 115.26 112.82 1xtt n ASN 45 Ca 0.19 -0.61 0.07 0.00 -0.03 0.00 0.00 54.58 54.20 1xtt n ASN 45 Cb 0.71 -0.08 0.01 0.00 -0.61 0.00 0.00 39.78 39.81 1xtt n ASN 45 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xtt n THR 46 N -1.08 0.00 -1.73 3.41 -2.24 0.34 -5.00 114.28 107.99 1xtt n THR 46 Ca 0.17 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 1xtt n THR 46 Cb 0.12 1.18 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1xtt n THR 46 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xtt s LEU 47 N -1.77 3.22 0.60 3.22 1.43 -1.08 -5.03 118.68 119.26 1xtt s LEU 47 Ca 0.12 1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 54.67 1xtt s LEU 47 Cb 0.11 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 1xtt s LEU 47 CO 0.32 -1.25 1.05 -1.81 0.23 0.00 0.00 176.35 174.90 1xtt s ASP 48 N -3.73 5.78 0.03 2.29 1.01 -1.26 -5.06 116.67 115.72 1xtt s ASP 48 Ca 0.58 1.77 -0.08 0.00 0.71 0.00 0.00 52.55 55.53 1xtt s ASP 48 Cb -0.13 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1xtt s ASP 48 CO 0.52 -1.17 0.17 -0.72 0.21 0.00 0.00 175.17 174.17 1xtt s TYR 49 N -2.56 0.09 0.03 4.23 -0.85 -1.26 -4.44 117.35 112.58 1xtt s TYR 49 Ca 0.62 -0.31 0.04 0.00 -0.52 0.00 0.00 57.07 56.91 1xtt s TYR 49 Cb -0.15 -0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.09 1xtt s TYR 49 CO 0.39 -0.40 -0.07 -1.21 -1.52 0.00 0.00 175.55 172.74 1xtt s GLU 50 N -2.43 2.45 -0.05 -3.49 2.02 0.73 -4.93 118.70 112.99 1xtt s GLU 50 Ca -0.06 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 53.89 1xtt s GLU 50 Cb -0.02 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1xtt s GLU 50 CO -0.03 0.58 0.75 0.42 0.02 0.00 0.00 175.26 177.00 1xtt s ILE 51 N -1.05 5.01 0.38 -1.63 1.01 -1.26 -0.68 121.20 122.98 1xtt s ILE 51 Ca 0.18 1.56 0.04 0.00 0.00 0.00 0.00 60.65 62.42 1xtt s ILE 51 Cb -0.11 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1xtt s ILE 51 CO 0.09 0.23 0.10 0.68 0.00 0.00 0.00 174.94 176.04 1xtt s VAL 52 N 0.84 0.82 -0.04 2.92 -7.23 -0.59 -4.94 120.40 112.19 1xtt s VAL 52 Ca 0.40 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1xtt s VAL 52 Cb -0.18 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1xtt s VAL 52 CO 0.20 0.00 -0.21 -0.70 -0.31 0.00 0.00 175.10 174.08 1xtt s GLU 53 N -3.79 2.00 0.07 4.82 2.12 -1.26 0.64 118.70 123.30 1xtt s GLU 53 Ca 0.27 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.88 1xtt s GLU 53 Cb 0.05 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.62 1xtt s GLU 53 CO 0.14 0.37 -0.09 0.14 -0.54 0.00 0.00 175.26 175.28 1xtt s VAL 54 N -0.22 0.76 -0.17 3.70 -7.23 -0.61 -4.92 120.40 111.71 1xtt s VAL 54 Ca 0.01 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1xtt s VAL 54 Cb -0.11 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1xtt s VAL 54 CO 0.02 -0.51 -0.00 -0.70 -0.31 0.00 0.00 175.10 173.59 1xtt s GLU 55 N -2.41 3.74 0.65 4.82 2.12 -1.26 -1.10 118.70 125.25 1xtt s GLU 55 Ca -0.00 -0.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.81 1xtt s GLU 55 Cb -0.05 -3.03 0.05 0.00 0.26 0.00 0.00 34.13 31.36 1xtt s GLU 55 CO -0.00 0.20 0.94 0.95 -0.54 0.00 0.00 175.26 176.80 1xtt s THR 56 N 0.50 2.62 0.33 -1.70 -4.23 -0.19 -4.94 115.64 108.04 1xtt s THR 56 Ca -0.01 -0.32 0.36 0.00 -1.18 0.00 0.00 61.69 60.54 1xtt s THR 56 Cb -0.14 -3.08 0.36 0.00 1.34 0.00 0.00 72.50 70.98 1xtt s THR 56 CO 0.02 -0.08 2.10 -0.65 -0.54 0.00 0.00 174.62 175.47 1xtt h PRO 57 N -0.36 0.00 0.00 3.99 0.11 -1.99 0.45 132.00 134.19 1xtt h PRO 57 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xtt h PRO 57 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1xtt h PRO 57 CO 0.59 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.66 1xtt n LEU 58 N -2.76 0.00 -0.52 2.35 7.99 -1.26 -4.84 117.00 117.95 1xtt n LEU 58 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.91 1xtt n LEU 58 Cb 0.06 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.34 1xtt n LEU 58 CO 0.16 0.00 -0.06 0.61 -1.51 0.00 0.00 177.39 176.58 1xtt n GLY 59 N 0.53 0.90 3.49 -0.72 0.00 0.15 -5.02 105.19 104.52 1xtt n GLY 59 Ca 0.16 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1xtt n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xtt s VAL 60 N -2.22 3.04 0.07 1.61 -7.23 -1.25 -4.93 120.40 109.50 1xtt s VAL 60 Ca 0.00 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 1xtt s VAL 60 Cb 0.00 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1xtt s VAL 60 CO 0.00 0.40 0.32 -0.54 -0.31 0.00 0.00 175.10 174.97 1xtt s LYS 61 N -1.29 3.60 0.15 4.82 1.02 -1.26 -1.02 119.74 125.75 1xtt s LYS 61 Ca 0.15 -0.10 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 1xtt s LYS 61 Cb -0.11 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1xtt s LYS 61 CO 0.05 0.56 0.38 -0.08 -0.92 0.00 0.00 175.35 175.34 1xtt s THR 62 N -1.47 0.07 0.33 2.17 -1.32 -0.26 -4.98 115.64 110.18 1xtt s THR 62 Ca 0.34 -0.91 -0.27 0.00 -1.21 0.00 0.00 61.69 59.64 1xtt s THR 62 Cb -0.13 -1.47 -0.09 0.00 -1.51 0.00 0.00 72.50 69.30 1xtt s THR 62 CO 0.21 -0.31 1.05 -0.54 -2.21 0.00 0.00 174.62 172.83 1xtt s LYS 63 N -3.87 4.44 0.20 7.08 1.02 -1.26 -1.57 119.74 125.78 1xtt s LYS 63 Ca 0.08 1.61 0.04 0.00 0.02 0.00 0.00 55.97 57.72 1xtt s LYS 63 Cb 0.02 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1xtt s LYS 63 CO -0.06 0.09 0.14 0.41 -0.92 0.00 0.00 175.35 175.00 1xtt n GLY 64 N 0.78 3.46 3.23 -3.33 0.00 0.21 -4.87 105.19 104.67 1xtt n GLY 64 Ca 0.02 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 1xtt n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xtt s VAL 65 N -2.66 1.57 -0.12 1.61 1.01 -1.26 -1.54 120.40 119.01 1xtt s VAL 65 Ca 0.19 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1xtt s VAL 65 Cb 0.01 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 35.07 1xtt s VAL 65 CO 0.14 0.20 0.08 -0.62 0.00 0.00 0.00 175.10 174.89 1xtt s ASP 66 N -1.11 1.91 -0.99 3.32 2.15 0.14 -4.86 116.67 117.23 1xtt s ASP 66 Ca 0.07 -0.36 -0.15 0.00 0.43 0.00 0.00 52.55 52.53 1xtt s ASP 66 Cb -0.09 -0.21 0.18 0.00 -0.30 0.00 0.00 42.92 42.51 1xtt s ASP 66 CO 0.01 -0.31 1.11 -0.63 -0.17 0.00 0.00 175.17 175.18 1xtt s ILE 67 N 2.15 5.16 0.55 4.11 1.01 -1.26 -0.20 121.20 132.71 1xtt s ILE 67 Ca 0.03 -2.25 0.22 0.00 0.00 0.00 0.00 60.65 58.66 1xtt s ILE 67 Cb -0.15 -4.72 0.32 0.00 0.01 0.00 0.00 42.46 37.93 1xtt s ILE 67 CO -0.07 -1.38 2.15 0.00 0.00 0.00 0.00 174.94 175.63 1xtt h THR 68 N 5.07 0.79 -0.03 2.92 1.03 -1.95 -1.85 112.91 118.89 1xtt h THR 68 Ca 0.18 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.59 1xtt h THR 68 Cb 0.98 0.94 -0.00 0.00 -1.07 0.00 0.00 68.15 69.00 1xtt h THR 68 CO 1.04 0.00 0.18 0.44 -0.01 0.00 0.00 175.52 177.17 1xtt h ASP 69 N 0.00 0.00 0.35 0.00 3.32 -1.89 -0.97 116.42 117.23 1xtt h ASP 69 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xtt h ASP 69 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1xtt h ASP 69 CO -0.00 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 1xtt h LEU 70 N 0.00 0.00 0.00 1.55 3.38 -1.70 -1.45 115.31 117.10 1xtt h LEU 70 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xtt h LEU 70 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xtt h LEU 70 CO -0.00 0.00 -0.47 0.78 0.09 0.00 0.00 178.44 178.84 1xtt h ASN 71 N 0.00 0.00 -2.86 -0.43 2.35 -1.40 -3.41 115.58 109.83 1xtt h ASN 71 Ca 0.00 -0.13 -0.61 0.00 -0.55 0.00 0.00 56.30 55.01 1xtt h ASN 71 Cb 0.18 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.13 1xtt h ASN 71 CO 0.00 0.06 -0.62 0.59 -1.65 0.00 0.00 177.43 175.81 1xtt n ASN 72 N -2.28 2.79 -3.93 5.81 3.02 -0.54 -4.87 115.26 115.26 1xtt n ASN 72 Ca 0.04 -3.17 -0.15 0.00 -0.03 0.00 0.00 54.58 51.26 1xtt n ASN 72 Cb 0.46 -0.73 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 1xtt n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xtt s ILE 73 N -1.50 0.33 -0.12 2.41 1.01 -1.26 -1.04 121.20 121.02 1xtt s ILE 73 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1xtt s ILE 73 Cb -0.00 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1xtt s ILE 73 CO -0.15 0.10 -0.11 -0.69 0.00 0.00 0.00 174.94 174.09 1xtt s VAL 74 N -0.02 1.27 -0.19 2.92 1.01 -0.76 -1.11 120.40 123.52 1xtt s VAL 74 Ca 0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1xtt s VAL 74 Cb -0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1xtt s VAL 74 CO -0.00 0.41 0.08 -0.63 0.00 0.00 0.00 175.10 174.96 1xtt s ILE 75 N 1.53 4.92 -0.24 2.22 1.01 0.42 -0.53 121.20 130.53 1xtt s ILE 75 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1xtt s ILE 75 Cb -0.13 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1xtt s ILE 75 CO -0.08 0.45 -0.00 -0.63 0.00 0.00 0.00 174.94 174.67 1xtt s ILE 76 N 0.45 3.55 -0.50 2.92 1.01 0.83 -0.26 121.20 129.21 1xtt s ILE 76 Ca 0.04 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 1xtt s ILE 76 Cb -0.12 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1xtt s ILE 76 CO 0.00 0.31 0.78 0.21 0.00 0.00 0.00 174.94 176.24 1xtt s ASN 77 N 1.48 6.33 -0.17 3.58 3.04 0.32 -1.01 114.94 128.51 1xtt s ASN 77 Ca 0.04 -0.41 -0.29 0.00 0.04 0.00 0.00 52.86 52.24 1xtt s ASN 77 Cb -0.15 -2.37 -0.00 0.00 -1.54 0.00 0.00 41.25 37.19 1xtt s ASN 77 CO -0.01 -0.99 1.05 -0.63 -3.04 0.00 0.00 177.10 173.48 1xtt s ILE 78 N 3.29 4.66 -0.11 -5.21 1.01 -0.88 -1.64 121.20 122.31 1xtt s ILE 78 Ca 0.25 1.98 -0.29 0.00 0.00 0.00 0.00 60.65 62.59 1xtt s ILE 78 Cb -0.14 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 1xtt s ILE 78 CO 0.18 -0.11 1.91 -0.76 0.00 0.00 0.00 174.94 176.17 1xtt s LEU 79 N 2.78 4.00 0.00 2.97 1.43 0.17 -3.97 118.68 126.05 1xtt s LEU 79 Ca 0.47 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1xtt s LEU 79 Cb -0.17 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1xtt s LEU 79 CO 0.11 -1.35 0.00 -1.14 0.23 0.00 0.00 176.35 174.20 1xtt n ARG 80 N 7.88 0.00 -1.48 1.70 3.00 -1.26 -4.80 116.66 121.70 1xtt n ARG 80 Ca 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.04 1xtt n ARG 80 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.88 1xtt n ARG 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xtt n ALA 81 N 0.00 3.25 0.48 5.13 0.00 -1.26 -4.16 120.51 123.95 1xtt n ALA 81 Ca 0.00 -1.24 0.12 0.00 0.00 0.00 0.00 53.44 52.31 1xtt n ALA 81 Cb 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 19.45 19.01 1xtt n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xtt n ALA 82 N -0.16 2.99 -0.23 0.00 0.00 -1.25 -4.33 120.51 117.53 1xtt n ALA 82 Ca -0.17 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.00 1xtt n ALA 82 Cb 0.84 -1.09 0.11 0.00 0.00 0.00 0.00 19.45 19.30 1xtt n ALA 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xtt h VAL 83 N 0.00 0.37 -0.24 0.00 2.07 -1.92 0.48 116.25 117.02 1xtt h VAL 83 Ca 0.00 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 1xtt h VAL 83 Cb 0.79 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1xtt h VAL 83 CO 0.00 0.01 -0.37 -0.65 0.02 0.00 0.00 177.57 176.58 1xtt h PRO 84 N 0.07 0.54 -0.45 1.57 0.11 -1.92 -1.07 132.00 130.86 1xtt h PRO 84 Ca 0.36 -0.26 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1xtt h PRO 84 Cb 0.59 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1xtt h PRO 84 CO -0.64 0.84 0.06 1.25 -0.21 0.00 0.00 178.00 179.30 1xtt h LEU 85 N 0.46 0.72 -0.93 2.35 5.85 -1.24 -2.67 115.31 119.84 1xtt h LEU 85 Ca 0.04 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 1xtt h LEU 85 Cb 0.86 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1xtt h LEU 85 CO 0.07 0.81 -0.43 0.58 -0.34 0.00 0.00 178.44 179.13 1xtt h VAL 86 N 0.61 1.32 -0.58 1.05 2.07 0.01 -1.80 116.25 118.93 1xtt h VAL 86 Ca 0.13 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.12 1xtt h VAL 86 Cb 0.40 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1xtt h VAL 86 CO 0.01 0.47 0.33 -0.08 0.02 0.00 0.00 177.57 178.32 1xtt h GLU 87 N 0.18 0.63 -0.37 1.57 4.81 -0.93 0.28 114.58 120.75 1xtt h GLU 87 Ca 0.01 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1xtt h GLU 87 Cb 0.84 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1xtt h GLU 87 CO 0.07 0.42 -0.01 0.78 -0.73 0.00 0.00 179.01 179.54 1xtt h GLY 88 N 0.65 0.72 1.44 1.92 0.00 -1.16 -2.49 103.07 104.15 1xtt h GLY 88 Ca 0.24 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1xtt h GLY 88 CO -0.13 0.49 0.05 1.41 0.00 0.00 0.00 176.54 178.36 1xtt h LEU 89 N 0.48 0.66 -1.20 3.11 3.38 -0.79 -1.97 115.31 118.97 1xtt h LEU 89 Ca 0.10 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1xtt h LEU 89 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xtt h LEU 89 CO 0.02 0.69 -0.30 0.25 0.09 0.00 0.00 178.44 179.19 1xtt h LEU 90 N 0.67 0.00 -0.41 1.67 5.85 -0.33 0.15 115.31 122.90 1xtt h LEU 90 Ca 0.14 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 1xtt h LEU 90 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1xtt h LEU 90 CO 0.01 0.30 -0.66 0.11 -0.34 0.00 0.00 178.44 177.86 1xtt h LYS 91 N 0.00 0.53 -0.07 1.25 1.79 -0.91 -2.13 116.57 117.03 1xtt h LYS 91 Ca -0.00 -0.39 -0.14 0.00 -2.18 0.00 0.00 60.65 57.94 1xtt h LYS 91 Cb 0.73 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1xtt h LYS 91 CO 0.04 1.01 -0.57 0.00 -1.08 0.00 0.00 179.45 178.84 1xtt h ALA 92 N 0.89 0.90 -2.27 3.86 0.00 -0.77 -3.36 119.26 118.51 1xtt h ALA 92 Ca -0.02 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 1xtt h ALA 92 Cb 1.23 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.53 1xtt h ALA 92 CO 0.12 0.71 -0.81 1.19 0.00 0.00 0.00 179.25 180.46 1xtt n PHE 93 N -3.89 1.70 -0.11 0.00 3.01 0.44 -4.97 117.46 113.64 1xtt n PHE 93 Ca -0.02 -3.88 0.21 0.00 1.01 0.00 0.00 57.45 54.77 1xtt n PHE 93 Cb 0.59 -0.40 0.64 0.00 -0.01 0.00 0.00 39.48 40.30 1xtt n PHE 93 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xtt h PRO 94 N 4.46 0.13 -0.00 -1.08 0.11 -1.55 -0.84 132.00 133.23 1xtt h PRO 94 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1xtt h PRO 94 Cb 0.78 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1xtt h PRO 94 CO 0.64 0.09 -0.04 1.63 -0.21 0.00 0.00 178.00 180.10 1xtt n LYS 95 N -4.39 0.90 -2.26 1.05 5.02 -1.26 -4.90 118.16 112.32 1xtt n LYS 95 Ca 0.14 -0.23 -0.36 0.00 -2.02 0.00 0.00 58.31 55.84 1xtt n LYS 95 Cb 0.69 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.20 1xtt n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xtt s ALA 96 N -2.26 2.87 0.22 7.82 0.00 -0.32 -4.69 121.76 125.40 1xtt s ALA 96 Ca 0.36 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 1xtt s ALA 96 Cb 0.21 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1xtt s ALA 96 CO 0.42 -0.69 0.42 1.03 0.00 0.00 0.00 175.76 176.94 1xtt s ARG 97 N -2.91 3.53 -0.01 0.00 3.00 -0.27 -4.92 118.95 117.36 1xtt s ARG 97 Ca 0.67 -0.32 0.04 0.00 0.00 0.00 0.00 55.73 56.12 1xtt s ARG 97 Cb -0.27 -2.81 -0.01 0.00 0.00 0.00 0.00 34.95 31.87 1xtt s ARG 97 CO 0.32 0.36 -0.12 -1.14 0.00 0.00 0.00 175.30 174.72 1xtt s GLN 98 N -3.45 0.96 0.37 3.54 0.74 -1.26 -0.44 119.66 120.12 1xtt s GLN 98 Ca 0.39 -0.44 0.03 0.00 0.05 0.00 0.00 55.36 55.39 1xtt s GLN 98 Cb -0.11 -0.93 -0.04 0.00 1.10 0.00 0.00 33.01 33.03 1xtt s GLN 98 CO 0.30 0.25 0.09 0.20 -0.55 0.00 0.00 175.29 175.58 1xtt s GLY 99 N -0.32 2.34 0.07 2.59 0.00 0.64 -4.61 107.32 108.03 1xtt s GLY 99 Ca 0.04 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.20 1xtt s GLY 99 CO -0.00 -1.82 -0.11 -1.34 0.00 0.00 0.00 173.10 169.83 1xtt s VAL 100 N -3.28 0.86 -0.22 1.40 -7.23 -0.61 -0.52 120.40 110.81 1xtt s VAL 100 Ca 0.29 -1.32 -0.21 0.00 -1.81 0.00 0.00 61.98 58.93 1xtt s VAL 100 Cb 0.05 -0.99 0.06 0.00 0.56 0.00 0.00 36.38 36.06 1xtt s VAL 100 CO 0.14 -0.37 0.60 -0.51 -0.31 0.00 0.00 175.10 174.65 1xtt s ILE 101 N -1.64 0.00 -0.01 -0.62 2.07 -0.65 -1.05 121.20 119.30 1xtt s ILE 101 Ca -0.03 -0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.25 1xtt s ILE 101 Cb -0.08 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 1xtt s ILE 101 CO 0.01 -0.00 -0.14 -0.83 -1.91 0.00 0.00 174.94 172.07 1xtt s GLY 102 N 0.25 0.67 0.05 1.50 0.00 0.22 -0.66 107.32 109.36 1xtt s GLY 102 Ca -0.00 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.17 1xtt s GLY 102 CO 0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 173.10 172.46 1xtt s ALA 103 N -0.33 1.30 0.11 3.20 0.00 -1.26 -0.97 121.76 123.80 1xtt s ALA 103 Ca 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1xtt s ALA 103 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1xtt s ALA 103 CO -0.00 0.25 0.23 0.45 0.00 0.00 0.00 175.76 176.69 1xtt s SER 104 N -1.26 0.07 0.46 0.00 0.15 0.10 -4.89 113.70 108.33 1xtt s SER 104 Ca 0.02 -0.65 -0.08 0.00 0.70 0.00 0.00 55.95 55.95 1xtt s SER 104 Cb -0.08 0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1xtt s SER 104 CO 0.02 -0.77 0.80 -0.13 1.20 0.00 0.00 173.24 174.36 1xtt s ARG 105 N -3.87 3.63 0.00 5.44 0.52 -1.26 0.44 118.95 123.85 1xtt s ARG 105 Ca 0.07 0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.65 1xtt s ARG 105 Cb 0.04 -2.36 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 1xtt s ARG 105 CO -0.09 -0.17 0.32 1.55 0.02 0.00 0.00 175.30 176.92 1xtt n VAL 106 N -1.94 0.00 -0.05 3.52 3.14 -1.26 -4.90 118.33 116.83 1xtt n VAL 106 Ca 0.02 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1xtt n VAL 106 Cb 0.55 1.02 0.00 0.00 -1.06 0.00 0.00 33.84 34.35 1xtt n VAL 106 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1xtt n PRO 114 N -0.48 -0.08 -3.64 1.45 -0.02 -1.26 -5.21 135.00 125.76 1xtt n PRO 114 Ca 0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.45 1xtt n PRO 114 Cb 0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.46 1xtt n PRO 114 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xtt s LYS 115 N -0.02 0.42 -0.07 -0.52 2.47 -1.26 -5.03 119.74 115.73 1xtt s LYS 115 Ca 0.00 0.69 0.10 0.00 -1.56 0.00 0.00 55.97 55.20 1xtt s LYS 115 Cb 0.00 0.10 0.16 0.00 -1.46 0.00 0.00 37.83 36.63 1xtt s LYS 115 CO 0.00 -0.08 1.05 -0.40 0.16 0.00 0.00 175.35 176.08 1xtt n ASP 116 N 3.54 1.60 -4.64 1.43 5.75 -1.26 -4.83 116.55 118.14 1xtt n ASP 116 Ca -0.18 -2.54 -0.50 0.00 -0.01 0.00 0.00 54.79 51.57 1xtt n ASP 116 Cb 0.57 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 1xtt n ASP 116 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1xtt n MET 117 N -0.87 1.63 -2.20 0.11 1.56 -1.26 -4.87 117.12 111.22 1xtt n MET 117 Ca 0.09 0.59 -0.41 0.00 -0.27 0.00 0.00 57.70 57.70 1xtt n MET 117 Cb 0.58 -2.31 -0.03 0.00 2.15 0.00 0.00 33.22 33.62 1xtt n MET 117 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1xtt s ASP 118 N 1.28 6.88 0.26 6.12 1.11 -1.26 -4.93 116.67 126.14 1xtt s ASP 118 Ca 0.84 2.42 0.10 0.00 0.18 0.00 0.00 52.55 56.10 1xtt s ASP 118 Cb -0.83 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 40.50 1xtt s ASP 118 CO 0.46 -0.54 -0.08 0.68 1.18 0.00 0.00 175.17 176.87 1xtt s VAL 119 N 0.08 3.12 0.03 -1.27 -7.23 -1.26 -4.08 120.40 109.78 1xtt s VAL 119 Ca 0.57 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1xtt s VAL 119 Cb -0.37 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 1xtt s VAL 119 CO 0.39 -0.35 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.45 1xtt s TYR 120 N -2.29 0.61 -0.31 2.82 1.51 0.17 -4.88 117.35 114.98 1xtt s TYR 120 Ca 0.30 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.70 1xtt s TYR 120 Cb -0.06 -0.37 -0.00 0.00 -0.11 0.00 0.00 41.96 41.41 1xtt s TYR 120 CO 0.18 -0.06 1.40 0.42 -1.11 0.00 0.00 175.55 176.37 1xtt s ILE 121 N -0.99 3.99 -0.18 2.71 1.01 -1.26 -0.72 121.20 125.76 1xtt s ILE 121 Ca -0.06 1.09 0.20 0.00 0.00 0.00 0.00 60.65 61.88 1xtt s ILE 121 Cb -0.08 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1xtt s ILE 121 CO 0.00 -0.51 0.93 0.00 0.00 0.00 0.00 174.94 175.36 1xtt n TYR 122 N 8.12 0.95 -3.68 3.97 0.18 -0.14 -4.93 117.16 121.63 1xtt n TYR 122 Ca 0.16 0.30 -0.14 0.00 1.88 0.00 0.00 57.90 60.09 1xtt n TYR 122 Cb 0.47 -1.01 -0.08 0.00 -0.38 0.00 0.00 39.34 38.34 1xtt n TYR 122 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1xtt s TYR 123 N -3.18 -0.53 -0.24 -3.48 5.04 -1.21 -5.00 117.35 108.75 1xtt s TYR 123 Ca -0.02 1.21 -0.16 0.00 -2.44 0.00 0.00 57.07 55.66 1xtt s TYR 123 Cb 0.09 0.21 0.07 0.00 0.35 0.00 0.00 41.96 42.69 1xtt s TYR 123 CO 0.80 -0.34 0.61 0.21 -1.34 0.00 0.00 175.55 175.49 1xtt s LYS 124 N -0.17 0.64 -0.35 4.97 2.20 -1.26 -0.61 119.74 125.16 1xtt s LYS 124 Ca -0.04 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.64 1xtt s LYS 124 Cb -0.03 0.15 0.15 0.00 -1.51 0.00 0.00 37.83 36.59 1xtt s LYS 124 CO 0.03 -0.14 0.36 0.21 -0.36 0.00 0.00 175.35 175.45 1xtt s LYS 125 N 1.28 0.58 -0.08 4.03 2.20 -0.22 -5.01 119.74 122.52 1xtt s LYS 125 Ca -0.08 -0.72 0.04 0.00 -0.36 0.00 0.00 55.97 54.86 1xtt s LYS 125 Cb -0.06 -0.71 -0.01 0.00 -1.51 0.00 0.00 37.83 35.54 1xtt s LYS 125 CO -0.13 -1.16 -0.22 0.42 -0.36 0.00 0.00 175.35 173.90 1xtt s ILE 126 N 1.61 2.32 0.74 5.43 1.01 -1.26 -1.58 121.20 129.47 1xtt s ILE 126 Ca 0.15 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 1xtt s ILE 126 Cb -0.15 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.48 1xtt s ILE 126 CO -0.09 0.56 1.16 -2.16 0.00 0.00 0.00 174.94 174.41 1xtt s PRO 127 N 0.01 2.19 0.10 2.79 0.04 -1.26 -4.88 135.00 133.99 1xtt s PRO 127 Ca -0.08 1.55 -0.35 0.00 0.04 0.00 0.00 61.00 62.16 1xtt s PRO 127 Cb -0.15 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 1xtt s PRO 127 CO 0.05 -1.75 1.50 -0.25 0.04 0.00 0.00 177.00 176.59 1xtt n ASP 128 N -2.93 2.48 -4.60 6.66 8.00 -1.26 -4.95 116.55 119.95 1xtt n ASP 128 Ca 0.12 1.09 -0.36 0.00 0.71 0.00 0.00 54.79 56.35 1xtt n ASP 128 Cb 0.51 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.19 1xtt n ASP 128 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xtt s ILE 129 N 0.96 5.06 -0.30 0.53 1.01 -1.26 -5.06 121.20 122.14 1xtt s ILE 129 Ca 0.82 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.29 1xtt s ILE 129 Cb -0.81 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1xtt s ILE 129 CO 0.43 0.34 0.91 -0.13 0.00 0.00 0.00 174.94 176.50 1xtt s ARG 130 N 1.19 4.03 0.34 2.79 0.52 -1.26 -4.98 118.95 121.58 1xtt s ARG 130 Ca 0.06 0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 55.83 1xtt s ARG 130 Cb -0.14 -3.72 -0.12 0.00 0.52 0.00 0.00 34.95 31.49 1xtt s ARG 130 CO 0.05 -0.74 1.38 0.00 0.02 0.00 0.00 175.30 176.01 1xtt n ALA 131 N 6.44 1.68 -0.66 2.13 0.00 -1.25 -1.36 120.51 127.48 1xtt n ALA 131 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xtt n ALA 131 Cb 0.48 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1xtt n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xtt n LYS 132 N 0.79 -0.49 -0.00 0.00 4.76 0.60 -4.65 118.16 119.17 1xtt n LYS 132 Ca 0.05 0.12 -0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1xtt n LYS 132 Cb 0.36 -4.47 -0.00 0.00 -1.84 0.00 0.00 35.03 29.09 1xtt n LYS 132 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xtt n VAL 133 N -2.02 0.04 -2.45 -0.18 0.31 -0.91 -4.41 118.33 108.72 1xtt n VAL 133 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.95 1xtt n VAL 133 Cb 0.12 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 31.51 1xtt n VAL 133 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1xtt s ASP 134 N -5.04 6.96 -0.33 4.52 1.01 -0.46 -4.54 116.67 118.79 1xtt s ASP 134 Ca -0.00 2.23 -0.11 0.00 0.71 0.00 0.00 52.55 55.38 1xtt s ASP 134 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 1xtt s ASP 134 CO 0.00 -0.36 0.19 0.20 0.21 0.00 0.00 175.17 175.41 1xtt s ASN 135 N -1.11 5.73 -0.15 0.27 0.01 -0.21 -0.19 114.94 119.29 1xtt s ASN 135 Ca 0.51 -0.56 -0.14 0.00 -0.71 0.00 0.00 52.86 51.96 1xtt s ASN 135 Cb -0.29 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1xtt s ASN 135 CO 0.37 -0.24 0.29 -0.69 -1.51 0.00 0.00 177.10 175.33 1xtt s VAL 136 N 1.64 5.30 -0.22 1.60 1.01 0.46 -1.83 120.40 128.35 1xtt s VAL 136 Ca 0.05 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 1xtt s VAL 136 Cb -0.17 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1xtt s VAL 136 CO 0.08 0.41 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1xtt s ILE 137 N 0.28 2.56 -0.26 2.22 1.01 0.31 0.66 121.20 127.99 1xtt s ILE 137 Ca 0.17 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1xtt s ILE 137 Cb -0.13 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1xtt s ILE 137 CO 0.04 0.31 0.13 -0.63 0.00 0.00 0.00 174.94 174.80 1xtt s ILE 138 N 1.30 4.84 -0.12 2.92 1.01 0.78 -0.12 121.20 131.81 1xtt s ILE 138 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 1xtt s ILE 138 Cb -0.16 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1xtt s ILE 138 CO -0.07 0.31 -0.06 0.00 0.00 0.00 0.00 174.94 175.12 1xtt s ALA 139 N 1.56 2.97 -0.30 9.38 0.00 -0.18 0.26 121.76 135.45 1xtt s ALA 139 Ca 0.06 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 1xtt s ALA 139 Cb -0.15 -1.42 0.16 0.00 0.00 0.00 0.00 23.12 21.71 1xtt s ALA 139 CO 0.07 0.34 0.70 0.34 0.00 0.00 0.00 175.76 177.21 1xtt s ASP 140 N -0.04 -1.12 0.58 0.00 -1.08 -0.36 -2.08 116.67 112.57 1xtt s ASP 140 Ca 0.01 1.09 0.28 0.00 -0.52 0.00 0.00 52.55 53.41 1xtt s ASP 140 Cb -0.13 2.10 1.52 0.00 -1.46 0.00 0.00 42.92 44.95 1xtt s ASP 140 CO 0.03 -0.21 1.97 1.55 0.52 0.00 0.00 175.17 179.03 1xtt h PRO 141 N 7.94 0.00 -4.69 4.34 0.13 -1.84 -3.34 132.00 134.55 1xtt h PRO 141 Ca -0.19 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.46 1xtt h PRO 141 Cb 1.13 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.94 1xtt h PRO 141 CO 0.15 0.00 -0.80 -1.64 -0.23 0.00 0.00 178.00 175.47 1xtt s MET 142 N -4.68 1.32 -0.28 0.86 -1.94 -1.26 -0.60 119.30 112.72 1xtt s MET 142 Ca -0.04 -0.38 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 1xtt s MET 142 Cb 0.16 -1.17 0.08 0.00 2.01 0.00 0.00 34.83 35.91 1xtt s MET 142 CO 0.58 0.10 -0.02 0.42 -0.01 0.00 0.00 175.02 176.09 1xtt s ILE 143 N 0.34 1.77 0.00 2.53 1.01 -0.58 -5.02 121.20 121.26 1xtt s ILE 143 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 58.95 1xtt s ILE 143 Cb -0.12 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1xtt s ILE 143 CO 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 174.94 174.67 1xtt n ALA 144 N 4.53 0.06 0.62 9.38 0.00 -1.26 -0.99 120.51 132.85 1xtt n ALA 144 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1xtt n ALA 144 Cb 0.43 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.27 1xtt n ALA 144 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xtt n THR 145 N -0.47 0.59 -0.91 0.00 -2.24 -1.26 -3.68 114.28 106.30 1xtt n THR 145 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1xtt n THR 145 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1xtt n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xtt n ALA 146 N -1.79 0.00 -0.26 6.98 0.00 -1.26 -4.71 120.51 119.46 1xtt n ALA 146 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1xtt n ALA 146 Cb 0.43 -0.39 0.08 0.00 0.00 0.00 0.00 19.45 19.57 1xtt n ALA 146 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xtt h SER 147 N 0.00 0.77 0.17 0.00 0.02 -1.90 0.14 113.55 112.75 1xtt h SER 147 Ca 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xtt h SER 147 Cb 0.14 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1xtt h SER 147 CO 0.00 0.54 -0.08 0.74 -1.14 0.00 0.00 176.83 176.89 1xtt h THR 148 N 0.91 0.93 -0.83 -2.27 2.02 -1.94 -1.31 112.91 110.42 1xtt h THR 148 Ca 0.29 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1xtt h THR 148 Cb -0.00 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1xtt h THR 148 CO -0.10 0.11 0.55 -0.03 0.37 0.00 0.00 175.52 176.41 1xtt h MET 149 N -0.45 1.07 -0.72 6.66 -1.53 -1.90 -1.42 114.93 116.63 1xtt h MET 149 Ca -0.02 -0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.11 1xtt h MET 149 Cb 0.35 -0.24 -0.03 0.00 -0.55 0.00 0.00 31.60 31.13 1xtt h MET 149 CO 0.04 0.71 0.21 -0.07 0.14 0.00 0.00 176.91 177.94 1xtt h LEU 150 N 1.10 1.05 -0.64 3.39 3.38 -0.65 0.70 115.31 123.64 1xtt h LEU 150 Ca 0.31 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1xtt h LEU 150 Cb -0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1xtt h LEU 150 CO -0.08 0.98 0.24 0.50 0.09 0.00 0.00 178.44 180.17 1xtt h LYS 151 N 1.08 0.97 -0.44 1.13 1.63 -0.68 -0.77 116.57 119.48 1xtt h LYS 151 Ca 0.23 -0.19 -0.10 0.00 -0.85 0.00 0.00 60.65 59.75 1xtt h LYS 151 Cb 0.31 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1xtt h LYS 151 CO -0.01 0.83 -0.11 0.28 -3.45 0.00 0.00 179.45 177.00 1xtt h VAL 152 N 0.90 1.27 -0.76 2.00 2.07 -0.95 -2.96 116.25 117.83 1xtt h VAL 152 Ca 0.21 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1xtt h VAL 152 Cb 0.24 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1xtt h VAL 152 CO -0.01 0.41 0.46 -0.07 0.02 0.00 0.00 177.57 178.38 1xtt h LEU 153 N 0.68 0.89 -0.95 2.57 3.38 -0.58 -0.84 115.31 120.46 1xtt h LEU 153 Ca 0.11 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1xtt h LEU 153 Cb 0.64 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 1xtt h LEU 153 CO 0.04 0.68 0.57 -0.08 0.09 0.00 0.00 178.44 179.75 1xtt h GLU 154 N 1.04 0.86 0.06 1.13 4.81 -0.97 0.30 114.58 121.80 1xtt h GLU 154 Ca 0.27 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1xtt h GLU 154 Cb -0.06 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.13 1xtt h GLU 154 CO -0.05 0.57 -0.03 1.49 -0.73 0.00 0.00 179.01 180.25 1xtt h GLU 155 N 0.88 -0.08 -0.54 1.92 4.57 -1.26 -3.32 114.58 116.76 1xtt h GLU 155 Ca 0.48 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.67 1xtt h GLU 155 Cb 0.54 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1xtt h GLU 155 CO -0.29 0.47 0.33 0.28 -1.18 0.00 0.00 179.01 178.62 1xtt h VAL 156 N -0.69 1.16 -0.08 0.32 2.07 -0.57 -2.63 116.25 115.83 1xtt h VAL 156 Ca -0.01 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1xtt h VAL 156 Cb 0.58 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1xtt h VAL 156 CO 0.01 0.16 0.11 -0.37 0.02 0.00 0.00 177.57 177.50 1xtt h VAL 157 N 0.72 0.38 -0.30 2.57 -1.51 -0.55 -1.03 116.25 116.54 1xtt h VAL 157 Ca 0.19 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.60 1xtt h VAL 157 Cb -0.03 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 1xtt h VAL 157 CO -0.04 0.00 -0.09 0.11 -1.23 0.00 0.00 177.57 176.32 1xtt h LYS 158 N 0.00 0.49 0.00 5.19 1.57 -1.56 -2.16 116.57 120.10 1xtt h LYS 158 Ca 0.04 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xtt h LYS 158 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xtt h LYS 158 CO -0.00 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 1xtt n ALA 159 N -2.48 1.81 -3.94 3.86 0.00 -0.39 -4.90 120.51 114.48 1xtt n ALA 159 Ca 0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 1xtt n ALA 159 Cb 0.30 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1xtt n ALA 159 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xtt n ASN 160 N -1.35 -0.89 -4.66 0.00 4.05 -0.81 -3.83 115.26 107.76 1xtt n ASN 160 Ca 0.06 -0.97 -0.30 0.00 0.45 0.00 0.00 54.58 53.82 1xtt n ASN 160 Cb 0.14 -3.20 0.16 0.00 1.23 0.00 0.00 39.78 38.11 1xtt n ASN 160 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1xtt s PRO 161 N -6.51 0.86 0.14 1.20 0.04 -1.26 -0.29 135.00 129.18 1xtt s PRO 161 Ca 0.10 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1xtt s PRO 161 Cb -0.05 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1xtt s PRO 161 CO 0.88 -2.59 1.80 -0.22 0.04 0.00 0.00 177.00 176.91 1xtt h LYS 162 N -1.81 0.46 -3.59 4.56 3.64 -0.78 -3.39 116.57 115.65 1xtt h LYS 162 Ca -0.49 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.75 1xtt h LYS 162 Cb 1.28 -0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 32.83 1xtt h LYS 162 CO 0.50 0.31 -0.39 1.03 -2.27 0.00 0.00 179.45 178.62 1xtt s ARG 163 N -6.16 0.71 -0.10 1.90 0.52 -1.16 -4.98 118.95 109.68 1xtt s ARG 163 Ca -0.13 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1xtt s ARG 163 Cb 0.10 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.89 1xtt s ARG 163 CO 0.72 -0.21 -0.11 0.42 0.02 0.00 0.00 175.30 176.13 1xtt s ILE 164 N -2.73 1.24 0.02 1.52 1.01 -1.26 -0.41 121.20 120.60 1xtt s ILE 164 Ca -0.04 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1xtt s ILE 164 Cb -0.00 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1xtt s ILE 164 CO -0.05 0.39 -0.14 -0.31 0.00 0.00 0.00 174.94 174.83 1xtt s TYR 165 N 1.24 2.67 -0.10 3.97 1.51 0.21 -0.93 117.35 125.92 1xtt s TYR 165 Ca -0.03 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 1xtt s TYR 165 Cb -0.14 -1.52 -0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1xtt s TYR 165 CO -0.04 0.28 -0.23 0.42 -1.11 0.00 0.00 175.55 174.87 1xtt s ILE 166 N -0.93 2.18 -0.24 2.71 1.01 0.17 -0.16 121.20 125.95 1xtt s ILE 166 Ca 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1xtt s ILE 166 Cb -0.11 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.56 1xtt s ILE 166 CO 0.05 0.56 -0.10 -0.69 0.00 0.00 0.00 174.94 174.76 1xtt s VAL 167 N 0.26 2.47 0.15 2.92 1.01 0.14 -0.60 120.40 126.76 1xtt s VAL 167 Ca -0.16 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.62 1xtt s VAL 167 Cb -0.17 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1xtt s VAL 167 CO 0.08 0.19 -0.01 -0.94 0.00 0.00 0.00 175.10 174.42 1xtt s SER 168 N 1.24 1.09 -0.26 3.32 1.04 -0.49 -1.22 113.70 118.42 1xtt s SER 168 Ca -0.02 -1.14 -0.15 0.00 0.48 0.00 0.00 55.95 55.12 1xtt s SER 168 Cb -0.17 0.13 -0.12 0.00 0.10 0.00 0.00 66.02 65.96 1xtt s SER 168 CO -0.06 -0.57 -0.29 -0.38 0.98 0.00 0.00 173.24 172.92 1xtt n ILE 169 N -0.18 1.53 -4.58 -1.02 2.08 0.23 -3.51 119.36 113.91 1xtt n ILE 169 Ca -0.08 -0.30 -0.27 0.00 0.56 0.00 0.00 62.75 62.66 1xtt n ILE 169 Cb 0.63 -1.94 -0.17 0.00 -0.75 0.00 0.00 39.64 37.41 1xtt n ILE 169 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1xtt s ILE 170 N -2.52 1.42 0.08 1.39 1.01 -0.51 -1.19 121.20 120.87 1xtt s ILE 170 Ca -0.37 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 59.75 1xtt s ILE 170 Cb 0.13 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1xtt s ILE 170 CO 0.49 0.42 -0.23 -0.44 0.00 0.00 0.00 174.94 175.19 1xtt s SER 171 N 0.81 2.77 0.39 3.58 0.01 -0.41 -1.52 113.70 119.33 1xtt s SER 171 Ca -0.11 -0.63 -0.12 0.00 1.31 0.00 0.00 55.95 56.41 1xtt s SER 171 Cb -0.16 -0.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.80 1xtt s SER 171 CO 0.02 0.15 0.77 -0.94 0.41 0.00 0.00 173.24 173.65 1xtt s SER 172 N -1.57 6.57 0.22 2.44 1.04 -0.16 -0.74 113.70 121.50 1xtt s SER 172 Ca 0.09 1.18 -0.08 0.00 0.48 0.00 0.00 55.95 57.62 1xtt s SER 172 Cb -0.10 -2.34 0.26 0.00 0.10 0.00 0.00 66.02 63.95 1xtt s SER 172 CO 0.03 -0.37 1.83 -0.33 0.98 0.00 0.00 173.24 175.39 1xtt h GLU 173 N 1.44 0.81 -0.21 4.02 5.08 -1.39 -0.03 114.58 124.31 1xtt h GLU 173 Ca -0.47 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1xtt h GLU 173 Cb 1.18 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1xtt h GLU 173 CO 0.64 0.54 -0.00 -0.92 -1.00 0.00 0.00 179.01 178.27 1xtt h TYR 174 N 0.84 -0.01 -0.64 4.33 3.20 -1.85 -1.65 116.97 121.19 1xtt h TYR 174 Ca 0.32 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 1xtt h TYR 174 Cb 0.14 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1xtt h TYR 174 CO -0.05 -0.03 0.05 0.78 -1.64 0.00 0.00 178.16 177.27 1xtt h GLY 175 N 0.07 1.18 1.00 1.82 0.00 -1.48 -0.81 103.07 104.84 1xtt h GLY 175 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1xtt h GLY 175 CO -0.17 0.77 0.04 -2.08 0.00 0.00 0.00 176.54 175.11 1xtt h VAL 176 N 1.01 1.02 -0.58 4.60 2.07 -0.77 -1.21 116.25 122.39 1xtt h VAL 176 Ca 0.19 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 1xtt h VAL 176 Cb 0.51 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1xtt h VAL 176 CO 0.02 0.02 0.13 -1.13 0.02 0.00 0.00 177.57 176.63 1xtt h ASN 177 N 0.08 0.89 -0.60 0.57 -0.73 -1.21 -1.66 115.58 112.92 1xtt h ASN 177 Ca 0.02 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 57.92 1xtt h ASN 177 Cb -0.01 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 1xtt h ASN 177 CO -0.00 0.90 0.25 0.50 -0.37 0.00 0.00 177.43 178.71 1xtt h LYS 178 N 0.84 0.89 0.06 6.67 3.64 -0.95 -1.02 116.57 126.70 1xtt h LYS 178 Ca 0.18 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xtt h LYS 178 Cb 0.37 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1xtt h LYS 178 CO 0.00 0.75 -0.03 0.82 -2.27 0.00 0.00 179.45 178.72 1xtt h ILE 179 N 0.83 1.23 0.00 2.00 2.04 -1.16 -2.94 117.51 119.50 1xtt h ILE 179 Ca 0.20 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xtt h ILE 179 Cb 0.18 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1xtt h ILE 179 CO -0.02 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.33 1xtt h LEU 180 N -0.60 0.00 0.22 1.44 3.38 -1.31 0.13 115.31 118.57 1xtt h LEU 180 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1xtt h LEU 180 Cb 0.51 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xtt h LEU 180 CO 0.01 0.00 -1.42 0.28 0.09 0.00 0.00 178.44 177.40 1xtt h SER 181 N 0.00 0.73 0.10 -0.43 0.02 -1.22 -2.76 113.55 109.98 1xtt h SER 181 Ca 0.00 -0.78 -0.28 0.00 -0.84 0.00 0.00 61.79 59.88 1xtt h SER 181 Cb 0.47 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 62.80 1xtt h SER 181 CO 0.00 1.61 -1.17 0.50 -1.14 0.00 0.00 176.83 176.63 1xtt h LYS 182 N 0.13 0.62 -2.77 3.45 3.64 -1.31 -3.39 116.57 116.94 1xtt h LYS 182 Ca -0.22 -0.80 -0.61 0.00 -1.27 0.00 0.00 60.65 57.75 1xtt h LYS 182 Cb 2.12 0.26 -0.41 0.00 -0.41 0.00 0.00 32.23 33.79 1xtt h LYS 182 CO 0.26 1.36 -0.73 0.66 -2.27 0.00 0.00 179.45 178.73 1xtt n TYR 183 N -3.84 1.72 0.22 1.91 4.02 0.01 -4.96 117.16 116.25 1xtt n TYR 183 Ca -0.13 -3.94 0.11 0.00 -0.01 0.00 0.00 57.90 53.93 1xtt n TYR 183 Cb 0.95 -0.30 0.54 0.00 -0.02 0.00 0.00 39.34 40.50 1xtt n TYR 183 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1xtt n PRO 184 N 2.21 0.15 0.04 -0.72 -0.04 -1.04 -2.19 135.00 133.40 1xtt n PRO 184 Ca 0.24 0.57 0.13 0.00 -0.04 0.00 0.00 63.50 64.40 1xtt n PRO 184 Cb 0.40 -1.91 0.32 0.00 -0.04 0.00 0.00 33.50 32.26 1xtt n PRO 184 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1xtt n PHE 185 N -2.22 0.34 -2.31 0.54 1.16 -1.26 -2.79 117.46 110.91 1xtt n PHE 185 Ca -0.00 0.10 -0.39 0.00 -1.87 0.00 0.00 57.45 55.28 1xtt n PHE 185 Cb 0.09 -0.55 -0.03 0.00 -1.61 0.00 0.00 39.48 37.38 1xtt n PHE 185 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1xtt s ILE 186 N -3.07 3.17 -0.53 1.97 1.01 -0.93 -4.63 121.20 118.18 1xtt s ILE 186 Ca 0.10 1.09 -0.17 0.00 0.00 0.00 0.00 60.65 61.67 1xtt s ILE 186 Cb 0.16 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 39.06 1xtt s ILE 186 CO 0.66 0.20 0.53 -0.31 0.00 0.00 0.00 174.94 176.02 1xtt s TYR 187 N -1.27 3.17 -0.36 3.97 2.02 -0.11 -0.76 117.35 124.01 1xtt s TYR 187 Ca 0.51 -1.03 -0.16 0.00 -0.37 0.00 0.00 57.07 56.02 1xtt s TYR 187 Cb -0.33 -3.65 -0.00 0.00 -0.40 0.00 0.00 41.96 37.58 1xtt s TYR 187 CO 0.43 -1.02 0.38 -1.17 -1.57 0.00 0.00 175.55 172.60 1xtt s LEU 188 N 1.98 4.54 -0.15 -1.29 0.20 -0.08 -0.65 118.68 123.23 1xtt s LEU 188 Ca 0.07 -0.34 -0.05 0.00 0.69 0.00 0.00 54.13 54.50 1xtt s LEU 188 Cb -0.26 -2.35 -0.04 0.00 -0.43 0.00 0.00 46.19 43.11 1xtt s LEU 188 CO 0.06 -0.40 0.03 -0.36 -0.29 0.00 0.00 176.35 175.39 1xtt s PHE 189 N 2.05 3.19 0.09 5.38 0.40 0.23 0.04 117.98 129.36 1xtt s PHE 189 Ca 0.12 0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.30 1xtt s PHE 189 Cb -0.17 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.42 1xtt s PHE 189 CO 0.12 0.20 0.40 -0.08 0.70 0.00 0.00 175.22 176.56 1xtt s THR 190 N 0.04 0.07 -0.09 0.64 -1.32 -0.78 -1.39 115.64 112.80 1xtt s THR 190 Ca 0.04 -0.54 -0.04 0.00 -1.21 0.00 0.00 61.69 59.94 1xtt s THR 190 Cb -0.13 -1.08 -0.26 0.00 -1.51 0.00 0.00 72.50 69.53 1xtt s THR 190 CO 0.01 -0.30 0.48 0.58 -2.21 0.00 0.00 174.62 173.19 1xtt h VAL 191 N 2.66 0.73 -3.61 5.08 2.07 -1.19 0.17 116.25 122.15 1xtt h VAL 191 Ca -0.33 -2.45 -0.13 0.00 0.82 0.00 0.00 66.70 64.62 1xtt h VAL 191 Cb 1.23 2.54 -0.18 0.00 -1.52 0.00 0.00 31.29 33.36 1xtt h VAL 191 CO 0.46 0.83 -0.46 0.00 0.02 0.00 0.00 177.57 178.41 1xtt s ALA 192 N -2.57 -0.26 -0.28 1.67 0.00 -0.60 -4.22 121.76 115.51 1xtt s ALA 192 Ca -0.18 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1xtt s ALA 192 Cb 0.07 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.47 1xtt s ALA 192 CO 0.79 -0.30 -0.08 0.42 0.00 0.00 0.00 175.76 176.60 1xtt s ILE 193 N -2.21 2.20 0.30 0.00 1.01 -1.25 -1.29 121.20 119.96 1xtt s ILE 193 Ca -0.08 -1.78 -0.18 0.00 0.00 0.00 0.00 60.65 58.62 1xtt s ILE 193 Cb -0.03 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 1xtt s ILE 193 CO -0.02 -0.14 0.76 -1.81 0.00 0.00 0.00 174.94 173.73 1xtt s ASP 194 N 1.06 6.91 0.25 3.58 1.11 0.08 -4.80 116.67 124.85 1xtt s ASP 194 Ca -0.05 1.39 -0.01 0.00 0.18 0.00 0.00 52.55 54.06 1xtt s ASP 194 Cb -0.20 -2.41 0.29 0.00 1.07 0.00 0.00 42.92 41.67 1xtt s ASP 194 CO -0.06 -0.14 1.67 1.55 1.18 0.00 0.00 175.17 179.37 1xtt h PRO 195 N 2.62 0.61 -4.75 8.23 0.13 -1.89 -0.88 132.00 136.08 1xtt h PRO 195 Ca -0.48 -0.25 -0.35 0.00 -0.87 0.00 0.00 66.00 64.05 1xtt h PRO 195 Cb 1.18 -0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 1xtt h PRO 195 CO 0.65 0.81 -0.57 -1.83 -0.23 0.00 0.00 178.00 176.83 1xtt s GLU 196 N -4.51 1.46 -0.03 0.86 -1.05 -1.22 -4.52 118.70 109.69 1xtt s GLU 196 Ca -0.08 -1.81 0.04 0.00 -0.15 0.00 0.00 54.97 52.97 1xtt s GLU 196 Cb 0.13 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1xtt s GLU 196 CO 0.81 -0.48 -0.15 -0.51 0.95 0.00 0.00 175.26 175.88 1xtt s LEU 197 N -3.27 1.93 0.00 1.83 1.43 -1.26 -0.94 118.68 118.40 1xtt s LEU 197 Ca 0.39 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1xtt s LEU 197 Cb 0.05 -0.82 0.16 0.00 0.03 0.00 0.00 46.19 45.61 1xtt s LEU 197 CO 0.18 0.15 0.97 -0.46 0.23 0.00 0.00 176.35 177.42 1xtt n ASN 198 N 3.00 0.13 0.32 2.29 0.23 0.54 -4.88 115.26 116.90 1xtt n ASN 198 Ca -0.17 -1.39 0.20 0.00 -0.53 0.00 0.00 54.58 52.69 1xtt n ASN 198 Cb 0.54 -0.74 1.10 0.00 -2.08 0.00 0.00 39.78 38.60 1xtt n ASN 198 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1xtt h ASN 199 N -1.24 0.00 -0.52 0.53 -1.07 -2.00 -1.70 115.58 109.59 1xtt h ASN 199 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.06 1xtt h ASN 199 Cb 0.88 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.13 1xtt h ASN 199 CO 0.23 0.00 0.00 0.29 0.07 0.00 0.00 177.43 178.02 1xtt n LYS 200 N -3.41 2.50 -0.61 4.14 4.76 -1.26 -4.94 118.16 119.34 1xtt n LYS 200 Ca -0.03 -2.30 0.00 0.00 -2.87 0.00 0.00 58.31 53.12 1xtt n LYS 200 Cb 0.07 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 1xtt n LYS 200 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xtt n GLY 201 N 1.52 0.73 3.80 0.72 0.00 -0.64 -5.05 105.19 106.27 1xtt n GLY 201 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1xtt n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xtt s TYR 202 N -2.39 3.59 0.12 1.61 1.51 -1.26 -4.67 117.35 115.85 1xtt s TYR 202 Ca 0.00 1.66 -0.29 0.00 -1.01 0.00 0.00 57.07 57.43 1xtt s TYR 202 Cb 0.00 -2.84 -0.06 0.00 -0.11 0.00 0.00 41.96 38.94 1xtt s TYR 202 CO 0.00 0.15 0.92 0.42 -1.11 0.00 0.00 175.55 175.93 1xtt s ILE 203 N -1.75 4.48 -0.09 2.71 1.01 -1.26 -0.34 121.20 125.97 1xtt s ILE 203 Ca 0.52 1.98 0.04 0.00 0.00 0.00 0.00 60.65 63.19 1xtt s ILE 203 Cb -0.16 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 1xtt s ILE 203 CO 0.21 0.36 -0.22 -0.76 0.00 0.00 0.00 174.94 174.52 1xtt s LEU 204 N -0.20 2.23 0.41 2.97 1.43 -0.12 -2.44 118.68 122.96 1xtt s LEU 204 Ca 0.44 -0.48 0.17 0.00 -1.03 0.00 0.00 54.13 53.23 1xtt s LEU 204 Cb -0.23 -1.44 0.89 0.00 0.03 0.00 0.00 46.19 45.44 1xtt s LEU 204 CO 0.29 0.20 1.87 -0.65 0.23 0.00 0.00 176.35 178.29 1xtt h PRO 205 N 6.43 0.00 0.00 1.29 0.11 -1.96 -3.22 132.00 134.65 1xtt h PRO 205 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1xtt h PRO 205 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xtt h PRO 205 CO 0.49 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 1xtt n GLY 206 N -0.41 1.16 0.20 -0.55 0.00 -1.02 -4.61 105.19 99.96 1xtt n GLY 206 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xtt n GLY 206 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xtt n LEU 207 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.74 117.00 111.99 1xtt n LEU 207 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 56.01 55.43 1xtt n LEU 207 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xtt n LEU 207 CO 0.00 0.45 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 1xtt n GLY 208 N 0.00 -1.74 3.60 1.47 0.00 -1.26 -4.76 105.19 102.49 1xtt n GLY 208 Ca 0.00 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1xtt n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xtt s ASP 209 N -4.00 6.64 0.48 1.61 -1.08 -1.26 -4.91 116.67 114.15 1xtt s ASP 209 Ca 0.00 0.46 0.19 0.00 -0.52 0.00 0.00 52.55 52.67 1xtt s ASP 209 Cb 0.00 -2.50 1.20 0.00 -1.46 0.00 0.00 42.92 40.16 1xtt s ASP 209 CO 0.00 -1.06 1.99 0.00 0.52 0.00 0.00 175.17 176.62 1xtt h ALA 210 N 8.88 2.22 -0.28 3.66 0.00 -1.95 -0.76 119.26 131.05 1xtt h ALA 210 Ca -0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xtt h ALA 210 Cb 1.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1xtt h ALA 210 CO 1.05 -0.36 0.05 0.78 0.00 0.00 0.00 179.25 180.77 1xtt h GLY 211 N 0.22 0.49 1.05 0.00 0.00 -1.91 -1.44 103.07 101.48 1xtt h GLY 211 Ca 0.26 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 1xtt h GLY 211 CO -0.05 0.30 0.02 -1.80 0.00 0.00 0.00 176.54 175.01 1xtt h ASP 212 N 0.27 0.97 -0.31 0.19 -0.00 -1.63 -0.50 116.42 115.43 1xtt h ASP 212 Ca 0.08 -0.30 -0.06 0.00 -0.00 0.00 0.00 57.03 56.76 1xtt h ASP 212 Cb 0.33 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 39.38 1xtt h ASP 212 CO 0.00 1.03 0.02 0.03 -0.00 0.00 0.00 179.24 180.32 1xtt h ARG 213 N 0.89 0.63 0.11 0.28 2.47 -1.05 0.89 114.38 118.60 1xtt h ARG 213 Ca 0.17 -0.14 -0.34 0.00 -1.26 0.00 0.00 59.98 58.41 1xtt h ARG 213 Cb 0.52 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1xtt h ARG 213 CO 0.03 0.64 -1.79 0.00 0.56 0.00 0.00 179.97 179.40 1xtt h ALA 214 N 1.42 0.42 0.00 0.04 0.00 -1.13 -3.30 119.26 116.72 1xtt h ALA 214 Ca 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1xtt h ALA 214 Cb 0.36 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xtt h ALA 214 CO 0.01 1.28 -0.02 1.19 0.00 0.00 0.00 179.25 181.72 1xtt n PHE 215 N -3.41 0.00 1.28 0.00 3.01 -0.21 -4.74 117.46 113.40 1xtt n PHE 215 Ca -0.24 -0.41 0.13 0.00 1.01 0.00 0.00 57.45 57.94 1xtt n PHE 215 Cb 1.05 -0.05 0.34 0.00 -0.01 0.00 0.00 39.48 40.82 1xtt n PHE 215 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18