#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 3.20 -0.32 2.45 2.96 -1.26 -0.61 118.68 125.10 1xtt s LEU 3 Ca 0.00 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1xtt s LEU 3 Cb 0.00 -1.78 0.09 0.00 0.50 0.00 0.00 46.19 45.00 1xtt s LEU 3 CO 0.00 0.13 0.02 -0.31 -1.32 0.00 0.00 176.35 174.87 1xtt s TYR 4 N 0.58 3.43 -0.41 5.38 1.51 0.69 -4.97 117.35 123.55 1xtt s TYR 4 Ca -0.03 -2.71 -0.19 0.00 -1.01 0.00 0.00 57.07 53.13 1xtt s TYR 4 Cb -0.14 -2.58 0.02 0.00 -0.11 0.00 0.00 41.96 39.15 1xtt s TYR 4 CO 0.03 -0.92 0.53 0.08 -1.11 0.00 0.00 175.55 174.15 1xtt s VAL 5 N 1.03 4.97 -1.09 0.71 1.01 -1.26 -1.71 120.40 124.06 1xtt s VAL 5 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 1xtt s VAL 5 Cb -0.19 -4.09 0.18 0.00 0.00 0.00 0.00 36.38 32.27 1xtt s VAL 5 CO -0.09 -0.45 1.25 -0.63 0.00 0.00 0.00 175.10 175.18 1xtt s ILE 6 N 2.45 5.10 -0.58 2.22 -1.09 0.30 -4.85 121.20 124.75 1xtt s ILE 6 Ca 0.17 -2.40 0.03 0.00 -2.23 0.00 0.00 60.65 56.22 1xtt s ILE 6 Cb -0.16 -4.80 0.39 0.00 -1.58 0.00 0.00 42.46 36.31 1xtt s ILE 6 CO 0.16 -1.49 1.35 -0.90 -1.23 0.00 0.00 174.94 172.82 1xtt n ASP 7 N 5.44 5.49 -4.89 3.58 5.75 -1.26 -4.50 116.55 126.15 1xtt n ASP 7 Ca 0.30 -3.74 -0.29 0.00 -0.01 0.00 0.00 54.79 51.04 1xtt n ASP 7 Cb 0.45 -0.65 0.01 0.00 -1.03 0.00 0.00 41.12 39.90 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 -3.70 3.41 0.23 0.11 1.02 -1.26 -4.79 119.74 114.76 1xtt s LYS 8 Ca 0.49 0.42 -0.15 0.00 0.02 0.00 0.00 55.97 56.75 1xtt s LYS 8 Cb 0.39 -2.21 0.27 0.00 -0.52 0.00 0.00 37.83 35.76 1xtt s LYS 8 CO -0.24 -0.50 1.58 -1.35 -0.92 0.00 0.00 175.35 173.92 1xtt h PRO 9 N -0.13 -0.04 -0.45 -1.68 0.11 -1.98 -0.35 132.00 127.47 1xtt h PRO 9 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1xtt h PRO 9 Cb 1.21 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1xtt h PRO 9 CO 0.62 -0.03 -0.05 0.97 -0.21 0.00 0.00 178.00 179.30 1xtt h ILE 10 N -0.04 1.25 -0.19 4.15 6.09 -1.98 0.12 117.51 126.90 1xtt h ILE 10 Ca 0.34 -1.07 -0.16 0.00 -1.37 0.00 0.00 64.86 62.60 1xtt h ILE 10 Cb 0.59 0.96 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 1xtt h ILE 10 CO -0.84 0.37 -0.53 0.71 -3.07 0.00 0.00 178.15 174.79 1xtt h THR 11 N 0.71 1.32 -0.08 2.19 1.35 -1.61 -1.12 112.91 115.66 1xtt h THR 11 Ca 0.13 -1.77 -0.13 0.00 -0.55 0.00 0.00 66.41 64.09 1xtt h THR 11 Cb 0.51 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1xtt h THR 11 CO 0.03 0.55 -0.52 -0.07 -0.25 0.00 0.00 175.52 175.26 1xtt h LEU 12 N 0.43 0.25 -0.32 3.87 3.38 -0.83 0.09 115.31 122.18 1xtt h LEU 12 Ca 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1xtt h LEU 12 Cb 1.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1xtt h LEU 12 CO 0.10 0.73 0.06 -0.74 0.09 0.00 0.00 178.44 178.68 1xtt h HIS 13 N 0.18 0.54 -0.43 1.13 2.76 -0.46 -0.76 115.15 118.12 1xtt h HIS 13 Ca 0.00 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.04 1xtt h HIS 13 Cb 0.98 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 1xtt h HIS 13 CO 0.02 0.58 0.02 0.82 -1.30 0.00 0.00 177.93 178.07 1xtt h ILE 14 N 0.35 1.26 -0.87 6.26 2.04 -1.01 -2.78 117.51 122.76 1xtt h ILE 14 Ca 0.10 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1xtt h ILE 14 Cb 0.32 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1xtt h ILE 14 CO 0.00 0.34 0.57 0.25 0.00 0.00 0.00 178.15 179.31 1xtt h LEU 15 N 0.59 0.93 -0.95 1.44 5.85 -0.82 -0.97 115.31 121.38 1xtt h LEU 15 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xtt h LEU 15 Cb 0.45 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1xtt h LEU 15 CO 0.02 0.64 0.61 0.74 -0.34 0.00 0.00 178.44 180.11 1xtt h THR 16 N 1.08 1.25 -0.59 1.05 2.02 -0.87 0.24 112.91 117.08 1xtt h THR 16 Ca 0.35 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1xtt h THR 16 Cb 0.03 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.28 1xtt h THR 16 CO -0.10 0.25 0.26 1.56 0.37 0.00 0.00 175.52 177.86 1xtt h GLN 17 N 1.30 0.87 -0.65 6.66 1.08 -0.98 -1.61 115.11 121.78 1xtt h GLN 17 Ca 0.35 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1xtt h GLN 17 Cb -0.12 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.13 1xtt h GLN 17 CO -0.07 0.72 0.19 -0.07 -0.95 0.00 0.00 178.83 178.65 1xtt h LEU 18 N 0.81 0.96 -0.47 1.46 3.38 -0.51 -3.11 115.31 117.83 1xtt h LEU 18 Ca 0.20 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1xtt h LEU 18 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xtt h LEU 18 CO -0.02 0.92 -0.04 0.03 0.09 0.00 0.00 178.44 179.42 1xtt h ARG 19 N 0.95 0.85 -6.09 1.13 3.08 -0.75 -3.44 114.38 110.11 1xtt h ARG 19 Ca 0.21 -0.29 -0.74 0.00 0.07 0.00 0.00 59.98 59.23 1xtt h ARG 19 Cb 0.32 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1xtt h ARG 19 CO -0.00 0.92 1.04 -3.47 -1.07 0.00 0.00 179.97 177.38 1xtt n ASP 20 N -4.32 2.13 0.13 7.04 -0.08 -0.63 -4.81 116.55 116.02 1xtt n ASP 20 Ca 0.00 0.91 0.11 0.00 -1.51 0.00 0.00 54.79 54.30 1xtt n ASP 20 Cb 0.33 -1.13 0.50 0.00 2.34 0.00 0.00 41.12 43.17 1xtt n ASP 20 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1xtt n LYS 21 N 6.11 0.15 0.00 -0.67 2.85 -1.26 -1.89 118.16 123.44 1xtt n LYS 21 Ca 0.33 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 58.23 1xtt n LYS 21 Cb 0.12 -1.87 0.38 0.00 -0.65 0.00 0.00 35.03 33.00 1xtt n LYS 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xtt n TYR 22 N -2.17 0.00 -2.40 5.58 4.02 -1.26 -4.83 117.16 116.10 1xtt n TYR 22 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1xtt n TYR 22 Cb 0.12 -0.15 -0.02 0.00 -0.02 0.00 0.00 39.34 39.27 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 -2.58 4.18 1.13 -0.72 2.01 -0.79 -5.01 115.64 113.85 1xtt s THR 23 Ca 0.22 1.38 -0.17 0.00 0.31 0.00 0.00 61.69 63.43 1xtt s THR 23 Cb 0.19 -4.04 0.25 0.00 0.01 0.00 0.00 72.50 68.91 1xtt s THR 23 CO 0.54 -0.29 1.14 1.51 -0.69 0.00 0.00 174.62 176.83 1xtt s ASP 24 N 2.47 1.60 0.17 3.53 1.47 -1.26 -4.69 116.67 119.95 1xtt s ASP 24 Ca 0.56 0.68 -0.15 0.00 1.18 0.00 0.00 52.55 54.83 1xtt s ASP 24 Cb -0.20 -0.99 0.06 0.00 -0.34 0.00 0.00 42.92 41.46 1xtt s ASP 24 CO 0.19 -3.71 1.82 1.56 0.68 0.00 0.00 175.17 175.71 1xtt h GLN 25 N -2.30 0.57 0.03 2.11 7.50 -1.86 0.12 115.11 121.28 1xtt h GLN 25 Ca -0.47 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 58.67 1xtt h GLN 25 Cb 1.29 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.67 1xtt h GLN 25 CO 0.40 0.38 -0.16 0.82 -1.50 0.00 0.00 178.83 178.77 1xtt h ILE 26 N 0.58 0.62 0.00 2.54 2.04 -1.87 0.12 117.51 121.55 1xtt h ILE 26 Ca 0.18 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.94 1xtt h ILE 26 Cb -0.02 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1xtt h ILE 26 CO -0.07 0.00 -0.48 0.78 0.00 0.00 0.00 178.15 178.39 1xtt h ASN 27 N -0.28 0.00 -0.25 1.72 2.35 -1.89 -0.86 115.58 116.37 1xtt h ASN 27 Ca 0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1xtt h ASN 27 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1xtt h ASN 27 CO -0.13 0.48 -0.00 0.15 -1.65 0.00 0.00 177.43 176.28 1xtt h PHE 28 N 0.00 0.48 -0.52 1.19 3.57 -0.34 -1.69 116.94 119.62 1xtt h PHE 28 Ca -0.00 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1xtt h PHE 28 Cb 0.88 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1xtt h PHE 28 CO 0.00 0.61 0.11 0.00 -2.23 0.00 0.00 178.31 176.80 1xtt h ARG 29 N 0.22 0.85 -0.55 1.11 3.08 -0.78 -1.42 114.38 116.89 1xtt h ARG 29 Ca 0.07 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 59.96 1xtt h ARG 29 Cb 0.42 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1xtt h ARG 29 CO 0.01 0.82 0.28 -0.22 -1.07 0.00 0.00 179.97 179.79 1xtt h LYS 30 N 0.74 0.51 -0.12 0.04 3.64 -1.03 -0.33 116.57 120.02 1xtt h LYS 30 Ca 0.16 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1xtt h LYS 30 Cb 0.36 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xtt h LYS 30 CO 0.01 0.34 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.12 1xtt h ASN 31 N 0.53 0.35 -0.31 4.20 2.35 -1.16 -2.16 115.58 119.39 1xtt h ASN 31 Ca 0.24 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 1xtt h ASN 31 Cb 0.16 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1xtt h ASN 31 CO -0.17 0.79 -0.29 0.25 -1.65 0.00 0.00 177.43 176.36 1xtt h LEU 32 N 0.26 0.86 -0.59 1.61 5.85 -0.66 -1.12 115.31 121.52 1xtt h LEU 32 Ca 0.01 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1xtt h LEU 32 Cb 0.96 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1xtt h LEU 32 CO 0.08 1.09 0.21 0.58 -0.34 0.00 0.00 178.44 180.06 1xtt h VAL 33 N 0.70 1.23 -0.83 1.05 2.07 -0.95 -0.58 116.25 118.95 1xtt h VAL 33 Ca 0.08 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1xtt h VAL 33 Cb 0.84 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1xtt h VAL 33 CO 0.07 0.29 0.53 0.03 0.02 0.00 0.00 177.57 178.52 1xtt h ARG 34 N 0.82 1.00 -0.06 1.57 3.08 -1.08 -0.88 114.38 118.84 1xtt h ARG 34 Ca 0.19 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 1xtt h ARG 34 Cb 0.24 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1xtt h ARG 34 CO -0.01 0.66 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.06 1xtt h LEU 35 N 1.03 0.13 -0.65 3.04 3.38 -0.74 -1.37 115.31 120.13 1xtt h LEU 35 Ca 0.33 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1xtt h LEU 35 Cb 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1xtt h LEU 35 CO -0.12 0.54 0.10 1.23 0.09 0.00 0.00 178.44 180.28 1xtt h GLY 36 N 1.25 1.16 0.87 0.83 0.00 0.12 0.20 103.07 107.51 1xtt h GLY 36 Ca 0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 1xtt h GLY 36 CO 0.06 0.72 0.04 3.21 0.00 0.00 0.00 176.54 180.57 1xtt h ARG 37 N 1.00 0.45 -0.26 4.80 3.08 -0.87 -0.89 114.38 121.70 1xtt h ARG 37 Ca 0.20 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1xtt h ARG 37 Cb 0.44 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1xtt h ARG 37 CO 0.01 0.58 0.10 0.82 -1.07 0.00 0.00 179.97 180.41 1xtt h ILE 38 N 0.26 1.18 -0.21 2.04 2.04 -1.02 -1.09 117.51 120.72 1xtt h ILE 38 Ca 0.08 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1xtt h ILE 38 Cb 0.35 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1xtt h ILE 38 CO 0.01 0.18 -0.14 -0.07 0.00 0.00 0.00 178.15 178.13 1xtt h LEU 39 N 0.26 0.33 -0.66 1.44 3.38 -0.59 -0.37 115.31 119.11 1xtt h LEU 39 Ca 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1xtt h LEU 39 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1xtt h LEU 39 CO -0.01 0.50 0.19 1.23 0.09 0.00 0.00 178.44 180.45 1xtt h GLY 40 N 0.85 1.12 0.92 0.83 0.00 -0.80 0.12 103.07 106.12 1xtt h GLY 40 Ca 0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1xtt h GLY 40 CO 0.03 0.64 0.05 -1.82 0.00 0.00 0.00 176.54 175.43 1xtt h TYR 41 N 0.97 0.14 -0.72 5.60 3.20 -0.37 0.27 116.97 126.07 1xtt h TYR 41 Ca 0.21 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1xtt h TYR 41 Cb 0.32 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1xtt h TYR 41 CO 0.02 0.18 0.34 0.93 -1.64 0.00 0.00 178.16 178.00 1xtt h GLU 42 N 0.05 1.03 -0.64 1.82 4.39 -0.82 -2.50 114.58 117.92 1xtt h GLU 42 Ca 0.03 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1xtt h GLU 42 Cb 0.09 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1xtt h GLU 42 CO -0.01 0.81 0.25 0.82 -1.16 0.00 0.00 179.01 179.73 1xtt h ILE 43 N 1.00 1.24 -0.79 3.13 2.04 -0.59 -2.65 117.51 120.89 1xtt h ILE 43 Ca 0.25 -0.74 0.10 0.00 1.00 0.00 0.00 64.86 65.47 1xtt h ILE 43 Cb 0.12 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1xtt h ILE 43 CO -0.03 0.29 0.52 0.28 0.00 0.00 0.00 178.15 179.21 1xtt h SER 44 N 0.90 0.63 0.01 1.72 0.02 -0.51 -0.59 113.55 115.72 1xtt h SER 44 Ca 0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1xtt h SER 44 Cb 0.21 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1xtt h SER 44 CO -0.02 0.37 0.00 0.59 -1.14 0.00 0.00 176.83 176.63 1xtt n ASN 45 N -4.51 0.00 -0.21 3.07 3.02 -1.00 -2.39 115.26 113.24 1xtt n ASN 45 Ca 0.13 -0.69 0.05 0.00 -0.03 0.00 0.00 54.58 54.05 1xtt n ASN 45 Cb 0.35 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 -1.01 0.00 -2.00 3.41 -2.24 -0.24 -5.02 114.28 107.19 1xtt n THR 46 Ca 0.17 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1xtt n THR 46 Cb 0.08 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.61 3.46 0.73 3.22 1.43 -1.00 -5.02 118.68 119.89 1xtt s LEU 47 Ca 0.08 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1xtt s LEU 47 Cb 0.08 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.80 1xtt s LEU 47 CO 0.25 -1.19 1.10 -1.81 0.23 0.00 0.00 176.35 174.92 1xtt s ASP 48 N -2.88 4.71 0.05 2.29 1.01 -1.26 -5.04 116.67 115.53 1xtt s ASP 48 Ca 0.63 1.90 -0.23 0.00 0.71 0.00 0.00 52.55 55.56 1xtt s ASP 48 Cb -0.16 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.29 1xtt s ASP 48 CO 0.39 -1.90 0.55 -0.72 0.21 0.00 0.00 175.17 173.69 1xtt s TYR 49 N -2.67 -0.46 0.15 4.23 -0.85 -1.26 -4.45 117.35 112.04 1xtt s TYR 49 Ca 0.64 0.54 0.07 0.00 -0.52 0.00 0.00 57.07 57.80 1xtt s TYR 49 Cb -0.19 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1xtt s TYR 49 CO 0.50 -0.66 -0.04 -1.21 -1.52 0.00 0.00 175.55 172.62 1xtt s GLU 50 N -2.41 2.28 -0.16 -3.49 2.02 -0.19 -4.95 118.70 111.80 1xtt s GLU 50 Ca -0.05 -1.10 -0.18 0.00 0.02 0.00 0.00 54.97 53.66 1xtt s GLU 50 Cb -0.01 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1xtt s GLU 50 CO -0.01 0.47 0.47 0.42 0.02 0.00 0.00 175.26 176.63 1xtt s ILE 51 N -1.58 5.17 0.47 -1.63 1.01 -1.26 -0.63 121.20 122.75 1xtt s ILE 51 Ca 0.25 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.82 1xtt s ILE 51 Cb -0.10 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 1xtt s ILE 51 CO 0.17 0.26 0.04 0.68 0.00 0.00 0.00 174.94 176.09 1xtt s VAL 52 N 1.10 1.10 -0.08 2.92 -7.23 0.05 -4.92 120.40 113.33 1xtt s VAL 52 Ca 0.24 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1xtt s VAL 52 Cb -0.15 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 1xtt s VAL 52 CO 0.09 0.00 -0.20 -1.83 -0.31 0.00 0.00 175.10 172.86 1xtt s GLU 53 N -3.82 2.88 0.06 4.82 -1.05 -1.26 0.67 118.70 121.00 1xtt s GLU 53 Ca 0.14 -0.81 0.05 0.00 -0.15 0.00 0.00 54.97 54.20 1xtt s GLU 53 Cb 0.03 -2.35 -0.03 0.00 -0.44 0.00 0.00 34.13 31.34 1xtt s GLU 53 CO 0.08 0.33 -0.13 0.14 0.95 0.00 0.00 175.26 176.63 1xtt s VAL 54 N -0.01 1.01 -0.21 1.83 -7.23 -0.53 -4.93 120.40 110.33 1xtt s VAL 54 Ca -0.06 -1.20 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 1xtt s VAL 54 Cb -0.15 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1xtt s VAL 54 CO 0.05 -0.20 0.07 -0.70 -0.31 0.00 0.00 175.10 174.01 1xtt s GLU 55 N -1.59 3.85 0.65 4.82 2.12 -1.26 -1.40 118.70 125.89 1xtt s GLU 55 Ca -0.03 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 1xtt s GLU 55 Cb -0.09 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.06 1xtt s GLU 55 CO 0.02 0.07 0.93 0.95 -0.54 0.00 0.00 175.26 176.69 1xtt s THR 56 N 0.93 2.51 -0.74 -1.70 -4.23 -0.48 -4.95 115.64 106.99 1xtt s THR 56 Ca 0.04 -0.37 0.10 0.00 -1.18 0.00 0.00 61.69 60.28 1xtt s THR 56 Cb -0.14 -3.04 0.10 0.00 1.34 0.00 0.00 72.50 70.76 1xtt s THR 56 CO 0.03 -0.04 1.32 -2.65 -0.54 0.00 0.00 174.62 172.74 1xtt n PRO 57 N -2.72 0.06 -0.25 3.99 -0.02 -1.26 -1.89 135.00 132.91 1xtt n PRO 57 Ca 0.08 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 1xtt n PRO 57 Cb 0.60 -1.66 0.15 0.00 -0.02 0.00 0.00 33.50 32.57 1xtt n PRO 57 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xtt n LEU 58 N -1.77 2.22 -0.59 2.45 4.77 -1.26 -4.89 117.00 117.92 1xtt n LEU 58 Ca 0.00 -1.12 -0.08 0.00 -0.03 0.00 0.00 56.01 54.79 1xtt n LEU 58 Cb 0.06 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1xtt n LEU 58 CO 0.06 0.42 -0.07 0.61 -1.33 0.00 0.00 177.39 177.08 1xtt n GLY 59 N 0.70 0.91 3.45 -0.72 0.00 -0.79 -5.00 105.19 103.74 1xtt n GLY 59 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.06 2.63 0.09 1.61 -7.23 -1.26 -4.96 120.40 109.22 1xtt s VAL 60 Ca 0.00 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1xtt s VAL 60 Cb 0.00 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1xtt s VAL 60 CO 0.00 0.08 0.21 -0.54 -0.31 0.00 0.00 175.10 174.54 1xtt s LYS 61 N -2.16 3.35 0.10 4.82 1.02 -1.26 -1.39 119.74 124.22 1xtt s LYS 61 Ca 0.17 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.43 1xtt s LYS 61 Cb -0.10 -2.97 0.05 0.00 -0.52 0.00 0.00 37.83 34.29 1xtt s LYS 61 CO 0.09 0.58 0.48 -0.08 -0.92 0.00 0.00 175.35 175.49 1xtt s THR 62 N -1.57 0.04 0.43 2.17 -1.32 -0.49 -4.98 115.64 109.92 1xtt s THR 62 Ca 0.34 -0.34 -0.24 0.00 -1.21 0.00 0.00 61.69 60.24 1xtt s THR 62 Cb -0.12 -1.05 -0.08 0.00 -1.51 0.00 0.00 72.50 69.74 1xtt s THR 62 CO 0.27 -0.19 1.13 -0.54 -2.21 0.00 0.00 174.62 173.09 1xtt s LYS 63 N -3.20 3.95 0.23 7.08 1.02 -1.26 -1.45 119.74 126.11 1xtt s LYS 63 Ca -0.01 1.72 0.05 0.00 0.02 0.00 0.00 55.97 57.75 1xtt s LYS 63 Cb 0.00 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 1xtt s LYS 63 CO -0.08 -0.37 0.21 0.41 -0.92 0.00 0.00 175.35 174.60 1xtt n GLY 64 N 0.47 3.18 3.26 -3.33 0.00 0.21 -4.86 105.19 104.13 1xtt n GLY 64 Ca 0.06 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.93 1.72 -0.15 1.61 1.01 -1.26 -0.77 120.40 119.64 1xtt s VAL 65 Ca 0.27 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1xtt s VAL 65 Cb 0.01 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.96 1xtt s VAL 65 CO 0.19 0.27 0.04 -0.62 0.00 0.00 0.00 175.10 174.99 1xtt s ASP 66 N -1.06 2.34 -1.05 3.32 2.15 0.20 -4.85 116.67 117.72 1xtt s ASP 66 Ca 0.08 -0.53 -0.16 0.00 0.43 0.00 0.00 52.55 52.36 1xtt s ASP 66 Cb -0.09 -0.45 0.15 0.00 -0.30 0.00 0.00 42.92 42.23 1xtt s ASP 66 CO 0.01 -0.28 1.24 -0.63 -0.17 0.00 0.00 175.17 175.34 1xtt s ILE 67 N 1.97 4.91 0.47 4.11 1.01 -1.26 -1.03 121.20 131.38 1xtt s ILE 67 Ca 0.02 -2.09 0.18 0.00 0.00 0.00 0.00 60.65 58.75 1xtt s ILE 67 Cb -0.15 -4.82 0.35 0.00 0.01 0.00 0.00 42.46 37.85 1xtt s ILE 67 CO -0.07 -1.53 1.98 0.71 0.00 0.00 0.00 174.94 176.03 1xtt h THR 68 N 5.26 0.84 0.00 2.92 1.35 -1.95 -1.90 112.91 119.44 1xtt h THR 68 Ca 0.22 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1xtt h THR 68 Cb 0.96 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1xtt h THR 68 CO 1.15 0.05 0.00 0.47 -0.25 0.00 0.00 175.52 176.94 1xtt n ASP 69 N -4.45 0.14 0.31 5.36 10.43 -1.26 -1.48 116.55 125.59 1xtt n ASP 69 Ca 0.10 0.55 0.20 0.00 2.57 0.00 0.00 54.79 58.21 1xtt n ASP 69 Cb 0.45 -0.57 1.01 0.00 1.84 0.00 0.00 41.12 43.85 1xtt n ASP 69 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1xtt h LEU 70 N 0.00 0.00 0.00 0.64 3.38 -1.70 0.72 115.31 118.35 1xtt h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xtt h LEU 70 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xtt h LEU 70 CO 0.00 0.01 -0.37 0.59 0.09 0.00 0.00 178.44 178.76 1xtt n ASN 71 N -3.15 0.37 -3.35 -0.43 4.13 -0.55 -4.43 115.26 107.86 1xtt n ASN 71 Ca -0.02 -0.03 -0.27 0.00 1.68 0.00 0.00 54.58 55.95 1xtt n ASN 71 Cb 0.16 0.04 -0.07 0.00 -1.54 0.00 0.00 39.78 38.36 1xtt n ASN 71 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1xtt n ASN 72 N -1.53 3.42 -4.07 6.41 3.02 0.25 -4.91 115.26 117.85 1xtt n ASN 72 Ca 0.06 -3.38 -0.23 0.00 -0.03 0.00 0.00 54.58 51.00 1xtt n ASN 72 Cb 0.34 -0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 38.70 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 -2.52 1.07 -0.13 2.41 -1.09 -1.26 -0.53 121.20 119.15 1xtt s ILE 73 Ca 0.40 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1xtt s ILE 73 Cb 0.17 -0.92 0.02 0.00 -1.58 0.00 0.00 42.46 40.14 1xtt s ILE 73 CO -0.03 0.32 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.18 1xtt s VAL 74 N 0.01 1.37 -0.21 2.92 1.01 -0.49 -1.11 120.40 123.90 1xtt s VAL 74 Ca -0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1xtt s VAL 74 Cb -0.09 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1xtt s VAL 74 CO 0.01 0.42 0.06 -0.63 0.00 0.00 0.00 175.10 174.96 1xtt s ILE 75 N 1.50 4.59 -0.34 2.22 1.01 0.06 -0.67 121.20 129.56 1xtt s ILE 75 Ca 0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 1xtt s ILE 75 Cb -0.13 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1xtt s ILE 75 CO -0.09 0.41 0.24 -0.63 0.00 0.00 0.00 174.94 174.88 1xtt s ILE 76 N 0.84 5.29 -0.45 2.92 -1.09 0.80 -0.79 121.20 128.71 1xtt s ILE 76 Ca 0.03 -0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 58.03 1xtt s ILE 76 Cb -0.14 -3.72 0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1xtt s ILE 76 CO 0.02 -0.01 0.70 0.21 -1.23 0.00 0.00 174.94 174.63 1xtt s ASN 77 N 1.72 6.34 -0.56 3.58 3.04 0.66 -1.28 114.94 128.45 1xtt s ASN 77 Ca 0.06 -0.32 -0.21 0.00 0.04 0.00 0.00 52.86 52.43 1xtt s ASN 77 Cb -0.17 -2.34 0.06 0.00 -1.54 0.00 0.00 41.25 37.25 1xtt s ASN 77 CO 0.11 -0.86 0.80 -0.63 -3.04 0.00 0.00 177.10 173.48 1xtt s ILE 78 N 3.01 4.60 0.58 -5.21 1.01 -1.14 -0.84 121.20 123.21 1xtt s ILE 78 Ca 0.25 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 1xtt s ILE 78 Cb -0.14 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1xtt s ILE 78 CO 0.20 -1.06 1.09 -0.76 0.00 0.00 0.00 174.94 174.41 1xtt s LEU 79 N 3.35 3.59 -0.09 2.97 1.43 0.41 -1.89 118.68 128.45 1xtt s LEU 79 Ca 0.21 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.31 1xtt s LEU 79 Cb -0.17 -4.55 -0.25 0.00 0.03 0.00 0.00 46.19 41.25 1xtt s LEU 79 CO 0.14 -1.25 0.48 0.54 0.23 0.00 0.00 176.35 176.49 1xtt n ARG 80 N -1.78 0.70 -0.35 1.70 1.74 -1.26 -2.73 116.66 114.68 1xtt n ARG 80 Ca 0.10 0.27 0.26 0.00 -0.77 0.00 0.00 57.85 57.71 1xtt n ARG 80 Cb 0.52 -1.74 0.51 0.00 -1.02 0.00 0.00 32.46 30.73 1xtt n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xtt h ALA 81 N 0.50 2.15 0.00 7.54 0.00 -1.87 -2.58 119.26 125.00 1xtt h ALA 81 Ca -0.37 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xtt h ALA 81 Cb 2.03 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1xtt h ALA 81 CO 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.60 1xtt n ALA 82 N -2.37 1.88 -0.19 0.00 0.00 -0.79 -4.21 120.51 114.83 1xtt n ALA 82 Ca 0.32 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 1xtt n ALA 82 Cb 1.05 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 0.16 -0.28 0.00 2.07 -1.69 0.12 116.25 116.63 1xtt h VAL 83 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1xtt h VAL 83 Cb 0.40 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1xtt h VAL 83 CO 0.00 0.00 -0.21 -0.65 0.02 0.00 0.00 177.57 176.73 1xtt h PRO 84 N -0.19 0.52 -0.52 1.57 0.11 -1.85 -1.57 132.00 130.08 1xtt h PRO 84 Ca 0.22 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 1xtt h PRO 84 Cb 0.55 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1xtt h PRO 84 CO -0.66 0.70 0.17 1.25 -0.21 0.00 0.00 178.00 179.25 1xtt h LEU 85 N 0.47 0.76 -0.79 2.35 5.85 -1.49 -2.49 115.31 119.96 1xtt h LEU 85 Ca 0.07 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1xtt h LEU 85 Cb 0.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1xtt h LEU 85 CO 0.04 0.76 -0.06 0.58 -0.34 0.00 0.00 178.44 179.42 1xtt h VAL 86 N 0.71 1.26 -0.94 1.05 2.07 -0.56 -1.04 116.25 118.79 1xtt h VAL 86 Ca 0.17 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.60 1xtt h VAL 86 Cb 0.27 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1xtt h VAL 86 CO -0.01 0.39 0.61 -0.33 0.02 0.00 0.00 177.57 178.26 1xtt h GLU 87 N 0.77 1.14 -0.29 1.57 5.08 -1.01 0.16 114.58 122.01 1xtt h GLU 87 Ca 0.14 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1xtt h GLU 87 Cb 0.55 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xtt h GLU 87 CO 0.03 0.75 -0.35 0.78 -1.00 0.00 0.00 179.01 179.23 1xtt h GLY 88 N 1.17 0.81 1.30 -3.84 0.00 -1.08 -3.07 103.07 98.36 1xtt h GLY 88 Ca 0.38 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1xtt h GLY 88 CO -0.13 0.78 0.28 1.41 0.00 0.00 0.00 176.54 178.88 1xtt h LEU 89 N 0.49 0.82 -1.91 3.11 3.38 -0.50 -1.90 115.31 118.80 1xtt h LEU 89 Ca 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1xtt h LEU 89 Cb 0.93 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1xtt h LEU 89 CO 0.08 0.71 -0.10 -0.07 0.09 0.00 0.00 178.44 179.16 1xtt h LEU 90 N 0.90 0.00 -0.71 1.67 3.38 -0.65 -0.86 115.31 119.03 1xtt h LEU 90 Ca 0.22 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1xtt h LEU 90 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xtt h LEU 90 CO -0.02 0.10 -0.52 0.11 0.09 0.00 0.00 178.44 178.20 1xtt h LYS 91 N 0.00 0.33 0.01 1.13 1.79 -1.25 -2.60 116.57 115.98 1xtt h LYS 91 Ca -0.00 -0.20 -0.20 0.00 -2.18 0.00 0.00 60.65 58.07 1xtt h LYS 91 Cb 0.35 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1xtt h LYS 91 CO 0.01 0.77 -0.94 0.00 -1.08 0.00 0.00 179.45 178.21 1xtt h ALA 92 N 1.19 0.45 -2.39 3.86 0.00 -1.16 -3.38 119.26 117.83 1xtt h ALA 92 Ca 0.01 -0.84 -0.60 0.00 0.00 0.00 0.00 54.91 53.48 1xtt h ALA 92 Cb 1.00 -0.13 -0.41 0.00 0.00 0.00 0.00 17.79 18.25 1xtt h ALA 92 CO 0.09 1.13 -0.71 1.19 0.00 0.00 0.00 179.25 180.94 1xtt n PHE 93 N -3.46 2.44 0.23 0.00 3.01 -0.46 -4.95 117.46 114.27 1xtt n PHE 93 Ca -0.01 -4.02 0.18 0.00 1.01 0.00 0.00 57.45 54.61 1xtt n PHE 93 Cb 0.88 -0.46 0.86 0.00 -0.01 0.00 0.00 39.48 40.75 1xtt n PHE 93 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xtt h PRO 94 N 4.57 0.00 -0.42 -1.08 0.13 -1.66 -1.06 132.00 132.49 1xtt h PRO 94 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1xtt h PRO 94 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1xtt h PRO 94 CO 0.70 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.10 1xtt n LYS 95 N -3.57 2.35 -2.33 0.86 5.02 -1.26 -4.96 118.16 114.27 1xtt n LYS 95 Ca 0.01 -2.06 -0.40 0.00 -2.02 0.00 0.00 58.31 53.84 1xtt n LYS 95 Cb 0.34 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.46 3.39 0.30 7.82 0.00 -0.40 -4.68 121.76 126.74 1xtt s ALA 96 Ca 0.38 1.02 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 1xtt s ALA 96 Cb 0.21 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1xtt s ALA 96 CO 0.30 -0.37 0.56 1.03 0.00 0.00 0.00 175.76 177.28 1xtt s ARG 97 N -1.71 3.62 0.07 0.00 3.00 -0.27 -4.91 118.95 118.76 1xtt s ARG 97 Ca 0.48 -0.00 0.08 0.00 0.00 0.00 0.00 55.73 56.29 1xtt s ARG 97 Cb -0.34 -2.64 -0.03 0.00 0.00 0.00 0.00 34.95 31.94 1xtt s ARG 97 CO 0.44 0.19 -0.20 -1.14 0.00 0.00 0.00 175.30 174.60 1xtt s GLN 98 N -3.63 1.90 0.08 3.54 0.74 -1.26 -0.76 119.66 120.27 1xtt s GLN 98 Ca 0.44 -1.08 0.05 0.00 0.05 0.00 0.00 55.36 54.82 1xtt s GLN 98 Cb -0.11 -2.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.85 1xtt s GLN 98 CO 0.31 0.51 -0.14 0.20 -0.55 0.00 0.00 175.29 175.62 1xtt s GLY 99 N -1.67 0.90 0.03 2.59 0.00 0.03 -4.41 107.32 104.79 1xtt s GLY 99 Ca 0.15 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 43.86 1xtt s GLY 99 CO 0.06 -1.11 -0.17 -1.34 0.00 0.00 0.00 173.10 170.54 1xtt s VAL 100 N -1.58 1.36 -0.06 1.40 -7.23 0.68 -0.25 120.40 114.71 1xtt s VAL 100 Ca 0.01 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1xtt s VAL 100 Cb -0.08 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.70 1xtt s VAL 100 CO 0.02 0.15 0.02 -0.63 -0.31 0.00 0.00 175.10 174.35 1xtt s ILE 101 N -0.74 0.26 -0.31 -0.62 1.01 -0.02 -1.12 121.20 119.65 1xtt s ILE 101 Ca 0.05 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.71 1xtt s ILE 101 Cb -0.08 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1xtt s ILE 101 CO 0.01 0.24 0.53 -0.83 0.00 0.00 0.00 174.94 174.89 1xtt s GLY 102 N 1.99 1.82 0.00 6.18 0.00 0.12 -0.44 107.32 116.99 1xtt s GLY 102 Ca 0.05 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 44.01 1xtt s GLY 102 CO -0.05 1.28 -0.15 0.00 0.00 0.00 0.00 173.10 174.18 1xtt s ALA 103 N 2.40 1.28 -0.07 3.20 0.00 -1.10 -0.64 121.76 126.82 1xtt s ALA 103 Ca 0.20 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 1xtt s ALA 103 Cb -0.15 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.71 1xtt s ALA 103 CO 0.12 0.30 0.18 0.45 0.00 0.00 0.00 175.76 176.80 1xtt s SER 104 N -0.59 -0.17 0.23 0.00 0.15 -0.93 -4.57 113.70 107.82 1xtt s SER 104 Ca 0.05 0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.89 1xtt s SER 104 Cb -0.06 0.31 -0.08 0.00 -1.71 0.00 0.00 66.02 64.47 1xtt s SER 104 CO 0.00 -0.11 0.70 -0.13 1.20 0.00 0.00 173.24 174.90 1xtt s ARG 105 N 0.74 4.17 -0.35 5.44 0.52 -1.26 -1.53 118.95 126.67 1xtt s ARG 105 Ca -0.05 0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 55.65 1xtt s ARG 105 Cb -0.07 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.61 1xtt s ARG 105 CO -0.04 0.36 1.21 0.08 0.02 0.00 0.00 175.30 176.93 1xtt s VAL 106 N -1.60 4.25 0.62 3.52 1.01 0.09 -4.96 120.40 123.32 1xtt s VAL 106 Ca 0.44 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 1xtt s VAL 106 Cb -0.15 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 1xtt s VAL 106 CO 0.20 -0.60 0.87 -0.62 0.00 0.00 0.00 175.10 174.95 1xtt n GLU 107 N 7.34 0.75 -3.82 2.72 1.02 -1.26 -4.64 120.64 122.74 1xtt n GLU 107 Ca 0.14 0.30 -0.11 0.00 -0.02 0.00 0.00 57.16 57.47 1xtt n GLU 107 Cb 0.47 -2.08 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 1xtt n GLU 107 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xtt s VAL 108 N -1.59 0.10 -0.45 2.62 -7.23 -1.26 -5.09 120.40 107.50 1xtt s VAL 108 Ca 0.75 -0.86 0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1xtt s VAL 108 Cb -0.41 -0.95 0.26 0.00 0.56 0.00 0.00 36.38 35.84 1xtt s VAL 108 CO 0.48 -0.48 0.80 -0.67 -0.31 0.00 0.00 175.10 174.93 1xtt n ASP 109 N 0.60 -1.78 -4.30 4.85 -0.08 -1.26 -4.29 116.55 110.29 1xtt n ASP 109 Ca -0.18 -3.17 -0.21 0.00 -1.51 0.00 0.00 54.79 49.72 1xtt n ASP 109 Cb 0.59 1.02 0.11 0.00 2.34 0.00 0.00 41.12 45.18 1xtt n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xtt n GLY 110 N 1.36 0.65 0.00 0.27 0.00 -1.25 -4.99 105.19 101.24 1xtt n GLY 110 Ca 0.13 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 44.25 1xtt n GLY 110 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xtt n LYS 111 N -2.67 0.17 -4.17 1.61 2.85 -1.26 -4.83 118.16 109.85 1xtt n LYS 111 Ca 0.15 0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.36 1xtt n LYS 111 Cb 0.53 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 1xtt n LYS 111 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1xtt s GLU 112 N -2.80 0.92 0.11 -1.58 2.02 -1.26 -5.08 118.70 111.02 1xtt s GLU 112 Ca 0.17 -1.42 -0.31 0.00 0.02 0.00 0.00 54.97 53.43 1xtt s GLU 112 Cb 0.17 -0.01 -0.08 0.00 0.10 0.00 0.00 34.13 34.31 1xtt s GLU 112 CO 0.42 -0.15 1.37 0.08 0.02 0.00 0.00 175.26 176.99 1xtt s VAL 113 N -3.83 3.39 0.27 2.63 1.01 -1.26 -4.74 120.40 117.87 1xtt s VAL 113 Ca 0.19 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 1xtt s VAL 113 Cb 0.07 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 1xtt s VAL 113 CO -0.00 0.08 1.56 -2.65 0.00 0.00 0.00 175.10 174.08 1xtt n PRO 114 N 3.96 2.52 -0.08 2.72 -0.02 -1.26 -4.90 135.00 137.93 1xtt n PRO 114 Ca 0.11 0.90 -0.09 0.00 -2.02 0.00 0.00 63.50 62.40 1xtt n PRO 114 Cb 0.43 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.13 1xtt n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xtt n LYS 115 N 2.33 1.25 -4.04 -0.52 5.02 -1.26 -4.87 118.16 116.06 1xtt n LYS 115 Ca 0.10 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.33 1xtt n LYS 115 Cb 0.35 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.86 1xtt n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xtt s ASP 116 N -5.13 0.39 -0.13 4.39 1.01 -1.26 -4.89 116.67 111.05 1xtt s ASP 116 Ca -0.11 -0.94 -0.18 0.00 0.71 0.00 0.00 52.55 52.02 1xtt s ASP 116 Cb 0.05 0.24 0.04 0.00 1.01 0.00 0.00 42.92 44.27 1xtt s ASP 116 CO 0.61 -0.64 0.47 -0.04 0.21 0.00 0.00 175.17 175.78 1xtt s MET 117 N -3.92 0.64 0.10 8.23 -1.94 -1.26 -5.08 119.30 116.06 1xtt s MET 117 Ca 0.08 0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 54.21 1xtt s MET 117 Cb 0.07 0.30 -0.06 0.00 2.01 0.00 0.00 34.83 37.15 1xtt s MET 117 CO -0.09 -0.12 1.20 -0.51 -0.01 0.00 0.00 175.02 175.49 1xtt s ASP 118 N -0.22 7.08 -0.13 3.03 1.01 -1.26 -4.83 116.67 121.35 1xtt s ASP 118 Ca -0.04 2.08 0.02 0.00 0.71 0.00 0.00 52.55 55.32 1xtt s ASP 118 Cb -0.03 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1xtt s ASP 118 CO 0.02 -0.45 -0.19 -0.69 0.21 0.00 0.00 175.17 174.07 1xtt s VAL 119 N 0.76 1.87 -0.16 -1.27 1.01 -1.26 -0.73 120.40 120.62 1xtt s VAL 119 Ca 0.57 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 1xtt s VAL 119 Cb -0.31 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1xtt s VAL 119 CO 0.31 0.51 -0.01 -0.72 0.00 0.00 0.00 175.10 175.19 1xtt s TYR 120 N 0.92 3.09 -0.43 5.22 -0.85 -0.59 -4.96 117.35 119.75 1xtt s TYR 120 Ca -0.06 -0.19 -0.20 0.00 -0.52 0.00 0.00 57.07 56.10 1xtt s TYR 120 Cb -0.15 -1.98 0.02 0.00 0.38 0.00 0.00 41.96 40.23 1xtt s TYR 120 CO -0.03 0.03 0.62 0.42 -1.52 0.00 0.00 175.55 175.07 1xtt s ILE 121 N 0.33 4.85 -0.93 -3.49 -1.09 -1.26 -2.19 121.20 117.42 1xtt s ILE 121 Ca -0.02 0.09 0.25 0.00 -2.23 0.00 0.00 60.65 58.73 1xtt s ILE 121 Cb -0.14 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1xtt s ILE 121 CO 0.02 -0.57 1.36 0.00 -1.23 0.00 0.00 174.94 174.52 1xtt n TYR 122 N 6.20 0.08 -3.67 3.97 0.18 0.19 -4.89 117.16 119.21 1xtt n TYR 122 Ca -0.02 0.02 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 1xtt n TYR 122 Cb 0.48 -0.30 -0.08 0.00 -0.38 0.00 0.00 39.34 39.06 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 -3.03 -0.56 -0.26 -3.48 5.04 -1.20 -4.92 117.35 108.93 1xtt s TYR 123 Ca 0.10 1.27 -0.09 0.00 -2.44 0.00 0.00 57.07 55.91 1xtt s TYR 123 Cb 0.17 0.22 0.11 0.00 0.35 0.00 0.00 41.96 42.82 1xtt s TYR 123 CO 0.71 -0.35 0.56 0.21 -1.34 0.00 0.00 175.55 175.35 1xtt s LYS 124 N -0.14 0.48 -0.26 4.97 2.20 -1.26 0.12 119.74 125.86 1xtt s LYS 124 Ca -0.03 1.30 -0.01 0.00 -0.36 0.00 0.00 55.97 56.86 1xtt s LYS 124 Cb -0.03 0.66 0.13 0.00 -1.51 0.00 0.00 37.83 37.08 1xtt s LYS 124 CO 0.03 -0.22 0.32 0.21 -0.36 0.00 0.00 175.35 175.32 1xtt s LYS 125 N 2.77 0.32 -0.04 4.03 2.47 -0.28 -5.01 119.74 124.00 1xtt s LYS 125 Ca -0.04 0.12 0.05 0.00 -1.56 0.00 0.00 55.97 54.54 1xtt s LYS 125 Cb -0.12 -0.67 -0.01 0.00 -1.46 0.00 0.00 37.83 35.57 1xtt s LYS 125 CO -0.17 -0.87 -0.21 0.42 0.16 0.00 0.00 175.35 174.68 1xtt s ILE 126 N 2.42 1.70 0.96 5.43 1.01 -1.26 -0.23 121.20 131.23 1xtt s ILE 126 Ca 0.10 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 1xtt s ILE 126 Cb -0.14 -1.44 0.16 0.00 0.01 0.00 0.00 42.46 41.05 1xtt s ILE 126 CO -0.25 0.48 1.09 -2.16 0.00 0.00 0.00 174.94 174.11 1xtt s PRO 127 N -0.14 0.76 0.00 2.79 0.04 -1.26 -4.92 135.00 132.27 1xtt s PRO 127 Ca -0.01 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1xtt s PRO 127 Cb -0.12 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1xtt s PRO 127 CO 0.02 -2.54 1.57 -0.51 0.04 0.00 0.00 177.00 175.58 1xtt s ASP 128 N -3.42 6.71 -0.16 6.66 1.01 -1.26 -4.97 116.67 121.24 1xtt s ASP 128 Ca 0.65 2.27 -0.19 0.00 0.71 0.00 0.00 52.55 55.98 1xtt s ASP 128 Cb -0.18 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 1xtt s ASP 128 CO 0.57 -0.85 0.55 -0.63 0.21 0.00 0.00 175.17 175.02 1xtt s ILE 129 N 3.05 5.11 -0.46 0.77 1.01 -1.26 -5.03 121.20 124.39 1xtt s ILE 129 Ca 0.70 1.05 -0.26 0.00 0.00 0.00 0.00 60.65 62.15 1xtt s ILE 129 Cb -0.35 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1xtt s ILE 129 CO 0.29 0.22 0.95 -0.13 0.00 0.00 0.00 174.94 176.27 1xtt s ARG 130 N 1.26 3.55 0.24 2.79 0.52 -1.26 -4.97 118.95 121.08 1xtt s ARG 130 Ca 0.27 0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 55.38 1xtt s ARG 130 Cb -0.16 -3.92 -0.15 0.00 0.52 0.00 0.00 34.95 31.24 1xtt s ARG 130 CO 0.11 -1.24 1.11 0.00 0.02 0.00 0.00 175.30 175.30 1xtt n ALA 131 N 7.24 -0.31 -0.66 2.13 0.00 -1.25 -1.18 120.51 126.47 1xtt n ALA 131 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1xtt n ALA 131 Cb 0.49 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 1.27 -0.43 0.02 0.00 5.02 0.57 -4.67 118.16 119.95 1xtt n LYS 132 Ca 0.12 0.11 -0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1xtt n LYS 132 Cb 0.29 -4.40 -0.00 0.00 -0.02 0.00 0.00 35.03 30.90 1xtt n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xtt n VAL 133 N -2.03 0.59 -2.37 -0.18 0.31 -0.33 -4.42 118.33 109.90 1xtt n VAL 133 Ca 0.00 0.19 -0.38 0.00 -0.01 0.00 0.00 64.34 64.14 1xtt n VAL 133 Cb 0.11 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 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 -5.48 6.62 -0.28 4.52 1.01 -0.37 -4.55 116.67 118.15 1xtt s ASP 134 Ca -0.00 2.25 -0.09 0.00 0.71 0.00 0.00 52.55 55.42 1xtt s ASP 134 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1xtt s ASP 134 CO 0.00 -0.60 0.13 0.20 0.21 0.00 0.00 175.17 175.12 1xtt s ASN 135 N -1.24 5.53 -0.18 0.27 0.01 0.31 -0.67 114.94 118.96 1xtt s ASN 135 Ca 0.57 -0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 52.31 1xtt s ASN 135 Cb -0.28 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 1xtt s ASN 135 CO 0.35 -0.10 0.23 -0.69 -1.51 0.00 0.00 177.10 175.38 1xtt s VAL 136 N 1.65 5.35 -0.23 1.60 1.01 -0.03 -1.40 120.40 128.35 1xtt s VAL 136 Ca 0.06 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 1xtt s VAL 136 Cb -0.16 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1xtt s VAL 136 CO 0.07 0.40 -0.10 -0.63 0.00 0.00 0.00 175.10 174.84 1xtt s ILE 137 N 0.48 2.61 -0.28 2.22 1.01 0.15 0.48 121.20 127.88 1xtt s ILE 137 Ca 0.13 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1xtt s ILE 137 Cb -0.12 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1xtt s ILE 137 CO 0.02 0.25 0.18 -0.63 0.00 0.00 0.00 174.94 174.75 1xtt s ILE 138 N 1.29 5.20 -0.19 2.92 1.01 0.68 -0.14 121.20 131.97 1xtt s ILE 138 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 1xtt s ILE 138 Cb -0.16 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1xtt s ILE 138 CO -0.06 0.26 -0.00 0.00 0.00 0.00 0.00 174.94 175.13 1xtt s ALA 139 N 1.74 3.06 -0.27 9.38 0.00 -0.40 -0.51 121.76 134.75 1xtt s ALA 139 Ca 0.07 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 1xtt s ALA 139 Cb -0.16 -1.73 0.14 0.00 0.00 0.00 0.00 23.12 21.37 1xtt s ALA 139 CO 0.10 -0.02 0.56 0.34 0.00 0.00 0.00 175.76 176.74 1xtt s ASP 140 N 0.77 -0.89 0.30 0.00 -1.08 -0.45 -2.86 116.67 112.45 1xtt s ASP 140 Ca 0.00 1.12 0.05 0.00 -0.52 0.00 0.00 52.55 53.20 1xtt s ASP 140 Cb -0.14 1.95 0.76 0.00 -1.46 0.00 0.00 42.92 44.04 1xtt s ASP 140 CO 0.02 -0.24 1.70 -0.65 0.52 0.00 0.00 175.17 176.52 1xtt h PRO 141 N 8.05 0.42 -5.98 4.34 0.11 -1.85 -3.33 132.00 133.75 1xtt h PRO 141 Ca -0.19 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 65.20 1xtt h PRO 141 Cb 1.12 -0.09 -0.31 0.00 0.11 0.00 0.00 31.00 31.83 1xtt h PRO 141 CO 0.17 0.28 -0.88 -1.64 -0.21 0.00 0.00 178.00 175.71 1xtt s MET 142 N -5.86 2.57 -0.26 1.05 -1.94 -1.26 0.30 119.30 113.91 1xtt s MET 142 Ca -0.11 -0.90 0.01 0.00 -1.71 0.00 0.00 55.69 52.97 1xtt s MET 142 Cb 0.26 -2.17 0.07 0.00 2.01 0.00 0.00 34.83 35.00 1xtt s MET 142 CO 0.78 0.37 -0.02 0.42 -0.01 0.00 0.00 175.02 176.57 1xtt s ILE 143 N -0.14 1.56 0.00 2.53 1.01 -0.56 -5.01 121.20 120.59 1xtt s ILE 143 Ca -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1xtt s ILE 143 Cb -0.14 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1xtt s ILE 143 CO 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 174.94 174.73 1xtt n ALA 144 N 4.63 0.00 0.89 9.38 0.00 -1.26 -0.81 120.51 133.35 1xtt n ALA 144 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1xtt n ALA 144 Cb 0.43 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.05 0.11 -0.96 0.00 -2.24 -1.26 -3.19 114.28 105.69 1xtt n THR 145 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1xtt n THR 145 Cb 0.00 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.58 0.00 -0.25 6.98 0.00 -1.26 -4.70 120.51 119.69 1xtt n ALA 146 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1xtt n ALA 146 Cb 0.36 -0.31 0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 0.79 -0.06 0.00 0.02 -1.90 0.14 113.55 112.53 1xtt h SER 147 Ca 0.00 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1xtt h SER 147 Cb 0.15 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1xtt h SER 147 CO 0.00 0.57 0.03 0.74 -1.14 0.00 0.00 176.83 177.02 1xtt h THR 148 N 0.93 1.13 -0.51 -2.27 2.02 -1.91 -1.52 112.91 110.79 1xtt h THR 148 Ca 0.26 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1xtt h THR 148 Cb -0.09 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1xtt h THR 148 CO -0.07 0.11 0.24 -0.03 0.37 0.00 0.00 175.52 176.14 1xtt h MET 149 N -0.04 0.73 -0.74 6.66 -1.53 -1.90 -1.83 114.93 116.29 1xtt h MET 149 Ca 0.02 -0.11 -0.01 0.00 -3.44 0.00 0.00 59.70 56.16 1xtt h MET 149 Cb 0.15 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.04 1xtt h MET 149 CO -0.00 0.62 0.42 -0.07 0.14 0.00 0.00 176.91 178.01 1xtt h LEU 150 N 0.67 0.90 -0.62 3.39 3.38 -0.61 0.28 115.31 122.69 1xtt h LEU 150 Ca 0.17 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1xtt h LEU 150 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xtt h LEU 150 CO -0.02 0.71 -0.20 0.50 0.09 0.00 0.00 178.44 179.52 1xtt h LYS 151 N 1.02 0.88 -0.27 1.13 3.64 -0.89 -1.37 116.57 120.71 1xtt h LYS 151 Ca 0.26 -0.35 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1xtt h LYS 151 Cb -0.00 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xtt h LYS 151 CO -0.05 1.00 -0.52 0.28 -2.27 0.00 0.00 179.45 177.90 1xtt h VAL 152 N 0.77 1.29 -0.48 2.00 2.07 -0.71 -3.24 116.25 117.95 1xtt h VAL 152 Ca 0.11 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.82 1xtt h VAL 152 Cb 0.74 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1xtt h VAL 152 CO 0.06 0.55 -0.04 -0.07 0.02 0.00 0.00 177.57 178.09 1xtt h LEU 153 N 0.59 0.80 -1.78 2.57 3.38 -0.28 -2.40 115.31 118.19 1xtt h LEU 153 Ca 0.02 -0.21 0.16 0.00 0.09 0.00 0.00 57.88 57.93 1xtt h LEU 153 Cb 1.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1xtt h LEU 153 CO 0.11 0.89 0.46 1.05 0.09 0.00 0.00 178.44 181.04 1xtt h GLU 154 N 0.76 0.21 0.10 1.13 4.11 -1.27 -0.61 114.58 119.00 1xtt h GLU 154 Ca 0.14 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.31 1xtt h GLU 154 Cb 0.52 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xtt h GLU 154 CO 0.03 0.14 -1.26 0.93 0.07 0.00 0.00 179.01 178.92 1xtt h GLU 155 N 0.22 0.21 -0.83 1.06 4.39 -1.62 -3.36 114.58 114.64 1xtt h GLU 155 Ca 0.32 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xtt h GLU 155 Cb 0.96 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 1xtt h GLU 155 CO -0.06 1.17 0.52 0.28 -1.16 0.00 0.00 179.01 179.75 1xtt h VAL 156 N -0.42 1.23 -0.31 3.13 2.07 -0.92 -2.50 116.25 118.52 1xtt h VAL 156 Ca -0.28 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1xtt h VAL 156 Cb 1.66 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1xtt h VAL 156 CO 0.03 0.23 0.21 0.58 0.02 0.00 0.00 177.57 178.64 1xtt h VAL 157 N 1.14 1.00 0.00 2.57 2.07 -1.31 -1.13 116.25 120.59 1xtt h VAL 157 Ca 0.30 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 1xtt h VAL 157 Cb -0.08 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1xtt h VAL 157 CO -0.06 0.05 -0.15 0.11 0.02 0.00 0.00 177.57 177.54 1xtt h LYS 158 N 0.28 0.00 0.00 1.57 1.57 -1.59 -1.22 116.57 117.19 1xtt h LYS 158 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1xtt h LYS 158 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1xtt h LYS 158 CO -0.03 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1xtt n ALA 159 N -2.36 1.89 -3.66 3.86 0.00 -0.43 -4.92 120.51 114.88 1xtt n ALA 159 Ca -0.02 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 1xtt n ALA 159 Cb 0.25 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.82 -1.72 -4.68 0.00 4.05 -0.46 -3.83 115.26 106.80 1xtt n ASN 160 Ca 0.04 -0.77 -0.30 0.00 0.45 0.00 0.00 54.58 54.00 1xtt n ASN 160 Cb 0.26 -4.28 0.16 0.00 1.23 0.00 0.00 39.78 37.14 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 -5.91 1.06 0.20 1.20 0.04 -1.26 -0.31 135.00 130.01 1xtt s PRO 161 Ca 0.06 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1xtt s PRO 161 Cb -0.03 -1.75 0.14 0.00 0.04 0.00 0.00 34.50 32.90 1xtt s PRO 161 CO 0.79 -2.51 1.87 -0.22 0.04 0.00 0.00 177.00 176.97 1xtt h LYS 162 N -1.76 0.96 -2.71 4.56 3.64 -1.11 -3.39 116.57 116.76 1xtt h LYS 162 Ca -0.47 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.76 1xtt h LYS 162 Cb 1.27 -0.21 -0.18 0.00 -0.41 0.00 0.00 32.23 32.70 1xtt h LYS 162 CO 0.47 0.65 -0.06 0.50 -2.27 0.00 0.00 179.45 178.74 1xtt s ARG 163 N -6.09 0.89 -0.11 1.90 3.52 -1.21 -4.97 118.95 112.87 1xtt s ARG 163 Ca -0.13 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 1xtt s ARG 163 Cb 0.15 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.96 1xtt s ARG 163 CO 0.78 -0.29 -0.17 0.42 -0.81 0.00 0.00 175.30 175.23 1xtt s ILE 164 N -1.74 1.63 -0.03 4.11 1.01 -1.26 -0.85 121.20 124.07 1xtt s ILE 164 Ca -0.10 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1xtt s ILE 164 Cb -0.02 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1xtt s ILE 164 CO 0.03 0.47 -0.14 -0.31 0.00 0.00 0.00 174.94 174.99 1xtt s TYR 165 N 0.92 2.70 -0.12 3.97 1.51 0.18 -0.51 117.35 126.00 1xtt s TYR 165 Ca -0.07 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 1xtt s TYR 165 Cb -0.15 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1xtt s TYR 165 CO -0.01 0.22 -0.22 0.42 -1.11 0.00 0.00 175.55 174.84 1xtt s ILE 166 N -0.79 2.12 -0.21 2.71 1.01 0.57 -0.23 121.20 126.39 1xtt s ILE 166 Ca 0.12 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1xtt s ILE 166 Cb -0.11 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.56 1xtt s ILE 166 CO 0.02 0.55 -0.16 -0.69 0.00 0.00 0.00 174.94 174.66 1xtt s VAL 167 N 0.56 2.17 0.25 2.92 1.01 0.33 0.22 120.40 127.86 1xtt s VAL 167 Ca -0.13 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1xtt s VAL 167 Cb -0.17 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1xtt s VAL 167 CO 0.04 0.37 0.07 -0.94 0.00 0.00 0.00 175.10 174.64 1xtt s SER 168 N 1.25 1.33 -0.27 3.32 1.04 -0.30 -1.34 113.70 118.73 1xtt s SER 168 Ca 0.01 -1.34 -0.06 0.00 0.48 0.00 0.00 55.95 55.05 1xtt s SER 168 Cb -0.15 0.12 -0.15 0.00 0.10 0.00 0.00 66.02 65.95 1xtt s SER 168 CO -0.10 -0.68 -0.29 -0.38 0.98 0.00 0.00 173.24 172.77 1xtt n ILE 169 N -0.44 1.51 -4.22 -1.02 2.08 0.15 -3.73 119.36 113.69 1xtt n ILE 169 Ca -0.02 -0.48 -0.20 0.00 0.56 0.00 0.00 62.75 62.61 1xtt n ILE 169 Cb 0.66 -1.64 -0.16 0.00 -0.75 0.00 0.00 39.64 37.74 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 -2.51 0.58 0.08 1.39 1.01 -0.53 -1.59 121.20 119.62 1xtt s ILE 170 Ca -0.37 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.18 1xtt s ILE 170 Cb 0.12 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 1xtt s ILE 170 CO 0.55 0.22 -0.18 -0.44 0.00 0.00 0.00 174.94 175.09 1xtt s SER 171 N 0.72 2.18 0.39 3.58 0.01 -0.70 -1.49 113.70 118.39 1xtt s SER 171 Ca -0.10 -0.62 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 1xtt s SER 171 Cb -0.13 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1xtt s SER 171 CO 0.00 0.03 0.71 -0.94 0.41 0.00 0.00 173.24 173.45 1xtt s SER 172 N -1.70 6.41 0.22 2.44 1.04 0.01 -0.88 113.70 121.25 1xtt s SER 172 Ca 0.04 0.93 -0.08 0.00 0.48 0.00 0.00 55.95 57.31 1xtt s SER 172 Cb -0.10 -2.24 0.24 0.00 0.10 0.00 0.00 66.02 64.03 1xtt s SER 172 CO 0.03 -0.39 1.85 -0.33 0.98 0.00 0.00 173.24 175.37 1xtt h GLU 173 N 1.03 0.86 -0.42 4.02 5.08 -1.27 -1.10 114.58 122.77 1xtt h GLU 173 Ca -0.47 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1xtt h GLU 173 Cb 1.19 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1xtt h GLU 173 CO 0.64 0.57 0.26 -0.92 -1.00 0.00 0.00 179.01 178.55 1xtt h TYR 174 N 0.88 0.48 -0.32 4.33 3.20 -1.85 -1.72 116.97 121.98 1xtt h TYR 174 Ca 0.32 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1xtt h TYR 174 Cb 0.08 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1xtt h TYR 174 CO -0.04 0.29 0.15 0.78 -1.64 0.00 0.00 178.16 177.70 1xtt h GLY 175 N 0.52 0.50 1.02 1.82 0.00 -1.32 -0.24 103.07 105.38 1xtt h GLY 175 Ca 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1xtt h GLY 175 CO -0.06 0.24 0.48 -2.08 0.00 0.00 0.00 176.54 175.11 1xtt h VAL 176 N 0.39 1.25 -0.42 4.60 2.07 -1.09 -1.45 116.25 121.60 1xtt h VAL 176 Ca 0.11 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1xtt h VAL 176 Cb 0.12 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1xtt h VAL 176 CO -0.01 0.28 0.10 -1.13 0.02 0.00 0.00 177.57 176.83 1xtt h ASN 177 N 1.21 0.64 -0.46 0.57 -0.73 -1.05 -1.71 115.58 114.05 1xtt h ASN 177 Ca 0.30 -0.24 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 1xtt h ASN 177 Cb 0.03 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 1xtt h ASN 177 CO -0.05 0.71 0.16 0.50 -0.37 0.00 0.00 177.43 178.39 1xtt h LYS 178 N 0.54 0.77 0.09 6.67 3.64 -0.60 -1.15 116.57 126.52 1xtt h LYS 178 Ca 0.13 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xtt h LYS 178 Cb 0.32 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1xtt h LYS 178 CO 0.00 0.67 -0.04 0.82 -2.27 0.00 0.00 179.45 178.62 1xtt h ILE 179 N 0.75 0.86 -0.09 2.00 2.04 -1.15 -3.26 117.51 118.66 1xtt h ILE 179 Ca 0.17 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 1xtt h ILE 179 Cb 0.22 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1xtt h ILE 179 CO -0.01 0.26 -0.26 -0.07 0.00 0.00 0.00 178.15 178.07 1xtt h LEU 180 N -0.93 0.15 -1.14 1.44 3.38 -1.34 0.27 115.31 117.13 1xtt h LEU 180 Ca -0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1xtt h LEU 180 Cb 0.52 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xtt h LEU 180 CO 0.02 0.42 -0.42 0.77 0.09 0.00 0.00 178.44 179.31 1xtt h SER 181 N 0.14 0.02 0.21 -0.43 4.64 -1.35 -0.09 113.55 116.69 1xtt h SER 181 Ca 0.02 -0.01 -0.35 0.00 -0.47 0.00 0.00 61.79 60.99 1xtt h SER 181 Cb 0.54 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1xtt h SER 181 CO 0.04 0.44 -1.95 1.17 -0.87 0.00 0.00 176.83 175.66 1xtt n LYS 182 N -4.04 0.73 -3.41 4.77 4.81 -0.99 -4.59 118.16 115.44 1xtt n LYS 182 Ca -0.02 0.26 -0.26 0.00 -0.87 0.00 0.00 58.31 57.43 1xtt n LYS 182 Cb 0.45 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.69 1xtt n LYS 182 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xtt n TYR 183 N -3.36 1.45 0.12 5.64 4.02 0.92 -4.97 117.16 120.99 1xtt n TYR 183 Ca -0.29 -3.84 0.05 0.00 -0.01 0.00 0.00 57.90 53.81 1xtt n TYR 183 Cb 1.05 -0.36 0.23 0.00 -0.02 0.00 0.00 39.34 40.24 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 1.54 0.05 0.00 -0.72 -0.04 -0.05 -2.25 135.00 133.53 1xtt n PRO 184 Ca 0.25 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1xtt n PRO 184 Cb 0.45 -1.65 0.16 0.00 -0.04 0.00 0.00 33.50 32.43 1xtt n PRO 184 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xtt n PHE 185 N -1.76 0.00 -2.55 0.54 3.01 -1.26 -2.85 117.46 112.60 1xtt n PHE 185 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 1xtt n PHE 185 Cb 0.04 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 1xtt n PHE 185 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1xtt s ILE 186 N -2.03 3.70 -0.50 4.37 1.01 -0.95 -4.59 121.20 122.21 1xtt s ILE 186 Ca 0.29 1.44 -0.19 0.00 0.00 0.00 0.00 60.65 62.19 1xtt s ILE 186 Cb 0.20 -3.82 0.05 0.00 0.01 0.00 0.00 42.46 38.91 1xtt s ILE 186 CO 0.32 0.15 0.61 -0.31 0.00 0.00 0.00 174.94 175.71 1xtt s TYR 187 N -1.48 3.06 -0.33 3.97 2.02 0.33 -0.80 117.35 124.12 1xtt s TYR 187 Ca 0.52 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.60 1xtt s TYR 187 Cb -0.25 -3.48 -0.02 0.00 -0.40 0.00 0.00 41.96 37.82 1xtt s TYR 187 CO 0.32 -1.00 0.23 -1.17 -1.57 0.00 0.00 175.55 172.36 1xtt s LEU 188 N 2.60 4.46 -0.12 -1.29 0.20 0.22 -0.32 118.68 124.43 1xtt s LEU 188 Ca 0.15 -0.42 -0.04 0.00 0.69 0.00 0.00 54.13 54.51 1xtt s LEU 188 Cb -0.19 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.42 1xtt s LEU 188 CO 0.12 -0.22 0.02 -0.36 -0.29 0.00 0.00 176.35 175.62 1xtt s PHE 189 N 1.71 3.19 0.16 5.38 0.40 0.13 -0.23 117.98 128.73 1xtt s PHE 189 Ca 0.06 0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.32 1xtt s PHE 189 Cb -0.17 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.51 1xtt s PHE 189 CO 0.10 0.34 0.50 -0.08 0.70 0.00 0.00 175.22 176.78 1xtt s THR 190 N -0.42 0.04 -0.17 0.64 -1.32 -0.69 -1.15 115.64 112.56 1xtt s THR 190 Ca 0.08 -0.51 0.01 0.00 -1.21 0.00 0.00 61.69 60.07 1xtt s THR 190 Cb -0.12 -1.28 -0.22 0.00 -1.51 0.00 0.00 72.50 69.36 1xtt s THR 190 CO 0.02 -0.16 0.14 0.52 -2.21 0.00 0.00 174.62 172.93 1xtt n VAL 191 N -0.31 1.61 -3.86 5.08 0.31 -0.62 -0.54 118.33 120.00 1xtt n VAL 191 Ca -0.14 -0.66 -0.11 0.00 -0.01 0.00 0.00 64.34 63.42 1xtt n VAL 191 Cb 0.64 -1.40 -0.10 0.00 -0.91 0.00 0.00 33.84 32.06 1xtt n VAL 191 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xtt s ALA 192 N -2.54 -0.36 -0.31 3.52 0.00 -0.88 -4.22 121.76 116.98 1xtt s ALA 192 Ca -0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1xtt s ALA 192 Cb 0.08 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.35 1xtt s ALA 192 CO 0.72 -0.21 0.01 0.42 0.00 0.00 0.00 175.76 176.70 1xtt s ILE 193 N -1.33 2.93 0.26 0.00 1.01 -1.26 -1.72 121.20 121.10 1xtt s ILE 193 Ca -0.14 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 58.85 1xtt s ILE 193 Cb -0.07 -2.73 -0.09 0.00 0.01 0.00 0.00 42.46 39.58 1xtt s ILE 193 CO 0.02 -0.16 0.73 -1.81 0.00 0.00 0.00 174.94 173.72 1xtt s ASP 194 N 1.28 6.97 0.31 3.58 1.01 -0.06 -4.82 116.67 124.93 1xtt s ASP 194 Ca -0.04 1.38 0.02 0.00 0.71 0.00 0.00 52.55 54.62 1xtt s ASP 194 Cb -0.20 -2.41 0.50 0.00 1.01 0.00 0.00 42.92 41.83 1xtt s ASP 194 CO -0.02 -0.05 1.83 1.55 0.21 0.00 0.00 175.17 178.69 1xtt h PRO 195 N 3.02 0.61 -4.08 8.23 0.13 -1.89 -0.34 132.00 137.68 1xtt h PRO 195 Ca -0.48 -0.15 -0.27 0.00 -0.87 0.00 0.00 66.00 64.24 1xtt h PRO 195 Cb 1.19 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 1xtt h PRO 195 CO 0.65 0.64 -0.17 -1.83 -0.23 0.00 0.00 178.00 177.06 1xtt s GLU 196 N -4.95 1.93 0.19 0.86 -1.05 -1.22 -4.46 118.70 110.00 1xtt s GLU 196 Ca -0.08 -1.75 0.09 0.00 -0.15 0.00 0.00 54.97 53.07 1xtt s GLU 196 Cb 0.15 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.25 1xtt s GLU 196 CO 0.78 -0.80 -0.17 -0.51 0.95 0.00 0.00 175.26 175.50 1xtt s LEU 197 N -3.23 2.49 0.00 1.83 1.43 -1.26 -0.52 118.68 119.42 1xtt s LEU 197 Ca 0.30 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1xtt s LEU 197 Cb -0.01 -0.81 0.12 0.00 0.03 0.00 0.00 46.19 45.52 1xtt s LEU 197 CO 0.20 -0.06 0.85 -0.46 0.23 0.00 0.00 176.35 177.10 1xtt n ASN 198 N 0.01 1.42 0.30 2.29 0.23 0.23 -4.88 115.26 114.87 1xtt n ASN 198 Ca -0.11 -2.13 0.20 0.00 -0.53 0.00 0.00 54.58 52.01 1xtt n ASN 198 Cb 0.58 -0.52 1.07 0.00 -2.08 0.00 0.00 39.78 38.83 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 -0.35 0.00 0.01 0.53 -1.07 -1.89 -0.69 115.58 112.13 1xtt h ASN 199 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 1xtt h ASN 199 Cb 1.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 1xtt h ASN 199 CO 0.33 0.00 -0.04 0.29 0.07 0.00 0.00 177.43 178.08 1xtt n LYS 200 N -2.90 1.70 -0.72 4.14 4.76 -1.26 -3.80 118.16 120.08 1xtt n LYS 200 Ca -0.03 -1.11 0.00 0.00 -2.87 0.00 0.00 58.31 54.30 1xtt n LYS 200 Cb 0.07 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.23 0.61 3.85 0.72 0.00 -0.26 -4.64 105.19 106.70 1xtt n GLY 201 Ca 0.17 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.53 0.20 1.61 1.51 -1.26 -4.68 117.35 116.26 1xtt s TYR 202 Ca 0.00 1.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.85 1xtt s TYR 202 Cb 0.00 -2.40 -0.08 0.00 -0.11 0.00 0.00 41.96 39.37 1xtt s TYR 202 CO 0.00 0.33 1.07 0.42 -1.11 0.00 0.00 175.55 176.26 1xtt s ILE 203 N -1.63 3.88 -0.11 2.71 1.01 -1.26 -0.60 121.20 125.20 1xtt s ILE 203 Ca 0.43 1.69 0.03 0.00 0.00 0.00 0.00 60.65 62.81 1xtt s ILE 203 Cb -0.14 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1xtt s ILE 203 CO 0.20 0.32 -0.22 -0.76 0.00 0.00 0.00 174.94 174.47 1xtt s LEU 204 N -0.63 2.05 0.42 2.97 1.43 0.32 -2.46 118.68 122.79 1xtt s LEU 204 Ca 0.47 -0.55 0.18 0.00 -1.03 0.00 0.00 54.13 53.20 1xtt s LEU 204 Cb -0.29 -1.37 0.95 0.00 0.03 0.00 0.00 46.19 45.51 1xtt s LEU 204 CO 0.35 0.13 1.90 -0.65 0.23 0.00 0.00 176.35 178.31 1xtt h PRO 205 N 6.90 0.00 0.00 1.29 0.11 -1.96 -3.25 132.00 135.09 1xtt h PRO 205 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1xtt h PRO 205 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xtt h PRO 205 CO 0.49 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 178.97 1xtt n GLY 206 N -0.46 1.10 0.01 -0.55 0.00 -1.03 -4.64 105.19 99.62 1xtt n GLY 206 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.75 117.00 111.98 1xtt n LEU 207 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.68 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 0.32 0.00 0.61 -0.00 0.00 0.00 177.39 178.32 1xtt n GLY 208 N 0.00 -1.15 3.57 1.47 0.00 -1.26 -4.77 105.19 103.05 1xtt n GLY 208 Ca 0.00 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 6.53 0.36 1.61 2.15 -1.26 -4.90 116.67 117.16 1xtt s ASP 209 Ca 0.00 0.23 0.08 0.00 0.43 0.00 0.00 52.55 53.30 1xtt s ASP 209 Cb 0.00 -2.43 0.81 0.00 -0.30 0.00 0.00 42.92 41.00 1xtt s ASP 209 CO 0.00 -0.91 1.90 0.00 -0.17 0.00 0.00 175.17 175.99 1xtt h ALA 210 N 8.79 1.82 -0.03 3.66 0.00 -1.97 -0.35 119.26 131.18 1xtt h ALA 210 Ca -0.24 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xtt h ALA 210 Cb 1.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xtt h ALA 210 CO 0.98 -0.02 0.01 0.78 0.00 0.00 0.00 179.25 181.00 1xtt h GLY 211 N 0.69 0.04 1.49 0.00 0.00 -1.91 -2.21 103.07 101.18 1xtt h GLY 211 Ca 0.40 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.61 1xtt h GLY 211 CO -0.17 0.02 -0.23 -0.55 0.00 0.00 0.00 176.54 175.61 1xtt h ASP 212 N -0.05 0.59 -0.41 0.19 3.32 -1.62 -0.79 116.42 117.65 1xtt h ASP 212 Ca 0.01 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1xtt h ASP 212 Cb 0.09 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1xtt h ASP 212 CO -0.00 0.82 0.17 0.03 -1.72 0.00 0.00 179.24 178.54 1xtt h ARG 213 N 0.52 0.67 0.15 3.56 2.47 -0.92 0.38 114.38 121.20 1xtt h ARG 213 Ca 0.08 -0.10 -0.34 0.00 -1.26 0.00 0.00 59.98 58.35 1xtt h ARG 213 Cb 0.68 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1xtt h ARG 213 CO 0.05 0.56 -1.78 0.00 0.56 0.00 0.00 179.97 179.36 1xtt h ALA 214 N 1.53 0.28 0.00 0.04 0.00 -1.17 -3.34 119.26 116.61 1xtt h ALA 214 Ca 0.16 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1xtt h ALA 214 Cb 0.15 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xtt h ALA 214 CO -0.01 1.15 0.00 1.19 0.00 0.00 0.00 179.25 181.58 1xtt n PHE 215 N -3.51 0.00 -0.87 0.00 3.01 -0.32 -4.69 117.46 111.08 1xtt n PHE 215 Ca -0.25 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.00 1xtt n PHE 215 Cb 1.06 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 1xtt n PHE 215 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18