#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xil s HIS 2 N 0.00 3.26 0.19 5.64 3.76 -1.26 -5.08 115.29 121.80 1xil s HIS 2 Ca 0.00 1.64 0.08 0.00 -0.15 0.00 0.00 55.06 56.63 1xil s HIS 2 Cb 0.00 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 1xil s HIS 2 CO 0.00 -0.61 -0.15 -1.54 -0.85 0.00 0.00 174.74 171.59 1xil s SER 3 N -1.60 2.52 -0.39 1.40 1.04 -1.26 -4.96 113.70 110.45 1xil s SER 3 Ca 0.58 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.76 1xil s SER 3 Cb -0.21 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.79 1xil s SER 3 CO 0.27 -0.14 1.34 -0.22 0.98 0.00 0.00 173.24 175.47 1xil s LEU 4 N -3.07 3.68 0.44 2.42 2.96 -1.26 -5.01 118.68 118.84 1xil s LEU 4 Ca 0.19 0.90 -0.24 0.00 -0.22 0.00 0.00 54.13 54.76 1xil s LEU 4 Cb -0.02 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.05 1xil s LEU 4 CO 0.06 -1.30 1.19 -2.16 -1.32 0.00 0.00 176.35 172.82 1xil s PRO 5 N 4.64 3.84 0.64 0.98 0.04 -1.26 -4.99 135.00 138.88 1xil s PRO 5 Ca 0.58 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 63.30 1xil s PRO 5 Cb -0.14 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1xil s PRO 5 CO 0.30 -0.50 1.18 -0.51 0.04 0.00 0.00 177.00 177.51 1xil s ASP 6 N -1.21 4.96 0.50 6.66 -0.00 -1.26 -5.00 116.67 121.31 1xil s ASP 6 Ca 0.61 2.30 -0.22 0.00 -0.00 0.00 0.00 52.55 55.24 1xil s ASP 6 Cb -0.31 -2.59 -0.06 0.00 -0.00 0.00 0.00 42.92 39.96 1xil s ASP 6 CO 0.38 -1.74 1.19 -0.76 -0.00 0.00 0.00 175.17 174.24 1xil s LEU 7 N -4.46 3.91 0.00 1.23 1.43 -1.26 -5.08 118.68 114.45 1xil s LEU 7 Ca 0.74 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 56.21 1xil s LEU 7 Cb -0.28 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1xil s LEU 7 CO 0.37 -1.13 0.45 -2.65 0.23 0.00 0.00 176.35 173.63 1xil n PRO 8 N -0.80 0.76 0.00 1.29 -0.02 -1.26 -5.17 135.00 129.80 1xil n PRO 8 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1xil n PRO 8 Cb 0.48 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1xil n PRO 8 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xil n ASP 10 N -0.00 0.00 0.00 2.55 8.00 -1.26 -5.10 116.55 120.74 1xil n ASP 10 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xil n ASP 10 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1xil n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xil n GLY 12 N 5.00 0.00 0.27 0.44 0.00 -1.26 -4.54 105.19 105.10 1xil n GLY 12 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1xil n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xil h ALA 13 N 0.00 1.15 -0.65 4.61 0.00 -1.97 -2.67 119.26 119.72 1xil h ALA 13 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xil h ALA 13 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xil h ALA 13 CO 0.00 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1xil n LEU 14 N -3.41 3.75 -4.76 0.00 4.77 -1.26 -4.37 117.00 111.72 1xil n LEU 14 Ca -0.01 -1.98 -0.39 0.00 -0.03 0.00 0.00 56.01 53.60 1xil n LEU 14 Cb 0.26 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1xil n LEU 14 CO 0.29 0.93 0.98 -1.61 -1.33 0.00 0.00 177.39 176.65 1xil s GLU 15 N -1.02 3.42 0.00 3.23 0.41 -1.01 -0.97 118.70 122.76 1xil s GLU 15 Ca 0.44 2.21 0.15 0.00 -0.41 0.00 0.00 54.97 57.36 1xil s GLU 15 Cb 0.23 -2.41 0.48 0.00 -1.78 0.00 0.00 34.13 30.65 1xil s GLU 15 CO 0.30 -0.96 1.38 -0.35 -0.49 0.00 0.00 175.26 175.14 1xil n PRO 16 N -0.67 1.85 -0.04 0.39 -0.04 -1.26 -4.90 135.00 130.34 1xil n PRO 16 Ca 0.08 -1.31 -0.15 0.00 -0.04 0.00 0.00 63.50 62.08 1xil n PRO 16 Cb 0.45 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 1xil n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xil h HIS 17 N 2.30 0.58 -3.23 0.54 3.86 -1.40 -3.41 115.15 114.40 1xil h HIS 17 Ca 0.00 -0.23 -0.52 0.00 -1.16 0.00 0.00 60.37 58.47 1xil h HIS 17 Cb 0.52 -0.10 -0.36 0.00 1.06 0.00 0.00 27.41 28.52 1xil h HIS 17 CO 0.21 0.95 -0.80 0.42 0.86 0.00 0.00 177.93 179.57 1xil s ILE 18 N -3.89 0.99 0.74 2.45 1.01 -0.77 -4.79 121.20 116.95 1xil s ILE 18 Ca -0.13 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 1xil s ILE 18 Cb 0.05 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.57 1xil s ILE 18 CO 0.79 0.36 1.11 0.54 0.00 0.00 0.00 174.94 177.74 1xil s ASN 19 N 1.53 4.99 0.35 3.58 2.20 -1.26 -3.16 114.94 123.16 1xil s ASN 19 Ca 0.01 0.90 0.04 0.00 -0.94 0.00 0.00 52.86 52.87 1xil s ASN 19 Cb -0.13 -1.56 0.64 0.00 -2.00 0.00 0.00 41.25 38.20 1xil s ASN 19 CO -0.06 -1.59 1.92 0.00 -2.94 0.00 0.00 177.10 174.43 1xil h ALA 20 N -0.80 1.45 -0.50 3.54 0.00 -1.96 -2.08 119.26 118.91 1xil h ALA 20 Ca -0.45 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 1xil h ALA 20 Cb 1.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1xil h ALA 20 CO 0.64 0.41 -0.02 0.37 0.00 0.00 0.00 179.25 180.65 1xil h GLN 21 N 0.58 0.89 -0.16 0.00 4.15 -1.99 -1.07 115.11 117.51 1xil h GLN 21 Ca 0.14 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1xil h GLN 21 Cb 0.19 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1xil h GLN 21 CO -0.01 0.93 0.05 0.82 -1.93 0.00 0.00 178.83 178.69 1xil h ILE 22 N 0.75 1.19 -0.96 2.39 2.04 -1.88 -1.06 117.51 119.99 1xil h ILE 22 Ca 0.14 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1xil h ILE 22 Cb 0.54 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 1xil h ILE 22 CO 0.03 0.18 0.61 0.24 0.00 0.00 0.00 178.15 179.22 1xil h MET 23 N 0.08 1.08 -0.12 2.37 2.86 -1.19 0.28 114.93 120.28 1xil h MET 23 Ca 0.05 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1xil h MET 23 Cb 0.24 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1xil h MET 23 CO -0.00 0.71 -0.10 0.37 1.06 0.00 0.00 176.91 178.96 1xil h GLN 24 N 1.11 0.27 -0.47 1.72 4.15 -1.05 -1.82 115.11 119.01 1xil h GLN 24 Ca 0.42 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 1xil h GLN 24 Cb 0.17 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1xil h GLN 24 CO -0.18 0.66 0.20 -0.07 -1.93 0.00 0.00 178.83 177.51 1xil h LEU 25 N -0.11 0.65 -0.66 -2.39 3.38 -0.83 0.09 115.31 115.43 1xil h LEU 25 Ca 0.02 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1xil h LEU 25 Cb 0.60 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1xil h LEU 25 CO 0.02 0.63 0.41 -0.74 0.09 0.00 0.00 178.44 178.86 1xil h HIS 26 N 0.62 0.77 0.00 1.13 2.76 -0.42 -0.21 115.15 119.81 1xil h HIS 26 Ca 0.16 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1xil h HIS 26 Cb 0.18 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1xil h HIS 26 CO 0.00 0.45 -0.40 1.25 -1.30 0.00 0.00 177.93 177.93 1xil h HIS 27 N 0.81 0.00 0.00 5.26 -0.00 -1.28 -1.00 115.15 118.95 1xil h HIS 27 Ca 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.61 1xil h HIS 27 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1xil h HIS 27 CO -0.05 1.04 -0.13 0.66 -0.00 0.00 0.00 177.93 179.46 1xil h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.00 -2.64 113.55 116.82 1xil h SER 28 Ca -0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1xil h SER 28 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1xil h SER 28 CO -0.06 0.13 -0.40 0.29 -0.87 0.00 0.00 176.83 175.92 1xil n LYS 29 N -3.19 0.16 0.31 4.77 4.76 -0.14 -4.46 118.16 120.36 1xil n LYS 29 Ca 0.02 0.06 -0.15 0.00 -2.87 0.00 0.00 58.31 55.37 1xil n LYS 29 Cb 0.47 -0.78 -0.08 0.00 -1.84 0.00 0.00 35.03 32.81 1xil n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xil h HIS 30 N -0.30 -0.74 -0.62 2.13 3.86 -1.36 -2.10 115.15 116.03 1xil h HIS 30 Ca -0.02 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1xil h HIS 30 Cb 0.37 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 1xil h HIS 30 CO -0.12 -0.41 0.28 1.25 0.86 0.00 0.00 177.93 179.79 1xil h HIS 31 N -1.06 0.90 -0.83 2.45 -0.00 -1.22 -2.37 115.15 113.02 1xil h HIS 31 Ca -0.08 -0.05 0.16 0.00 -0.00 0.00 0.00 60.37 60.39 1xil h HIS 31 Cb 0.67 -0.28 -0.10 0.00 -0.00 0.00 0.00 27.41 27.70 1xil h HIS 31 CO 0.00 0.70 0.39 0.00 -0.00 0.00 0.00 177.93 179.02 1xil h ALA 32 N 1.12 1.24 -0.42 5.26 0.00 -1.48 -1.31 119.26 123.66 1xil h ALA 32 Ca 0.21 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1xil h ALA 32 Cb 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xil h ALA 32 CO -0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 179.25 178.76 1xil h ALA 33 N 1.58 0.68 -0.53 0.00 0.00 -1.17 -2.18 119.26 117.64 1xil h ALA 33 Ca 0.47 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xil h ALA 33 Cb 0.72 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1xil h ALA 33 CO -0.40 0.67 0.33 0.74 0.00 0.00 0.00 179.25 180.58 1xil h PHE 34 N 0.78 0.61 -0.08 0.00 0.05 -0.76 -0.43 116.94 117.11 1xil h PHE 34 Ca 0.09 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.89 1xil h PHE 34 Cb 0.87 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 38.61 1xil h PHE 34 CO 0.05 0.36 0.05 0.28 -0.18 0.00 0.00 178.31 178.87 1xil h VAL 35 N 0.65 1.05 -0.57 -0.55 2.07 -1.06 0.62 116.25 118.46 1xil h VAL 35 Ca 0.21 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 1xil h VAL 35 Cb -0.01 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1xil h VAL 35 CO -0.08 0.04 0.09 -1.13 0.02 0.00 0.00 177.57 176.51 1xil h ASN 36 N 0.08 0.92 0.02 0.57 -1.24 -1.25 -1.32 115.58 113.35 1xil h ASN 36 Ca 0.03 -0.26 -0.07 0.00 0.71 0.00 0.00 56.30 56.71 1xil h ASN 36 Cb 0.03 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1xil h ASN 36 CO -0.01 0.95 -0.18 0.78 -1.29 0.00 0.00 177.43 177.68 1xil h ASN 37 N 0.85 0.30 -0.16 1.15 2.35 -0.91 -1.33 115.58 117.82 1xil h ASN 37 Ca 0.17 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1xil h ASN 37 Cb 0.43 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1xil h ASN 37 CO 0.01 0.50 0.07 0.25 -1.65 0.00 0.00 177.43 176.62 1xil h LEU 38 N 0.29 0.22 -0.49 1.61 5.85 -0.56 0.18 115.31 122.41 1xil h LEU 38 Ca 0.05 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xil h LEU 38 Cb 0.50 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1xil h LEU 38 CO 0.03 0.31 0.30 0.78 -0.34 0.00 0.00 178.44 179.52 1xil h ASN 39 N 0.12 0.58 -0.46 1.25 2.35 -0.89 0.41 115.58 118.94 1xil h ASN 39 Ca 0.05 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xil h ASN 39 Cb 0.15 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xil h ASN 39 CO -0.01 0.45 0.15 0.58 -1.65 0.00 0.00 177.43 176.96 1xil h VAL 40 N 0.65 1.22 -0.75 2.81 2.07 -1.18 -1.83 116.25 119.25 1xil h VAL 40 Ca 0.18 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1xil h VAL 40 Cb -0.02 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1xil h VAL 40 CO -0.03 0.26 0.31 0.74 0.02 0.00 0.00 177.57 178.87 1xil h THR 41 N 0.60 1.25 -0.70 2.57 2.02 -0.64 0.07 112.91 118.08 1xil h THR 41 Ca 0.15 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1xil h THR 41 Cb 0.25 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1xil h THR 41 CO -0.01 0.31 0.43 -0.33 0.37 0.00 0.00 175.52 176.30 1xil h GLU 42 N 1.07 0.95 -0.47 6.66 5.08 -0.66 -2.78 114.58 124.43 1xil h GLU 42 Ca 0.25 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1xil h GLU 42 Cb 0.19 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xil h GLU 42 CO -0.02 0.67 -0.01 0.93 -1.00 0.00 0.00 179.01 179.58 1xil h GLU 43 N 0.96 0.84 -1.54 2.33 5.08 -0.91 -1.17 114.58 120.17 1xil h GLU 43 Ca 0.25 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xil h GLU 43 Cb -0.04 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xil h GLU 43 CO -0.05 0.89 0.00 1.63 -1.00 0.00 0.00 179.01 180.48 1xil n LYS 44 N -4.35 0.00 0.00 2.33 5.02 -0.02 -2.45 118.16 118.69 1xil n LYS 44 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xil n LYS 44 Cb 0.32 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1xil n LYS 44 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xil n GLN 46 N 0.87 0.00 -0.17 1.97 -0.06 -0.44 -1.66 117.38 117.89 1xil n GLN 46 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 1xil n GLN 46 Cb 0.00 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.19 1xil n GLN 46 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1xil h GLU 47 N 0.00 0.71 -0.50 3.69 5.08 -1.76 -0.29 114.58 121.50 1xil h GLU 47 Ca 0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1xil h GLU 47 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1xil h GLU 47 CO 0.00 0.57 0.20 0.00 -1.00 0.00 0.00 179.01 178.78 1xil h ALA 48 N 1.10 0.65 -0.60 3.43 0.00 -1.61 -2.33 119.26 119.90 1xil h ALA 48 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xil h ALA 48 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xil h ALA 48 CO -0.02 0.27 0.27 1.25 0.00 0.00 0.00 179.25 181.02 1xil h LEU 49 N 0.67 0.80 -1.37 0.00 5.85 -1.79 -1.04 115.31 118.44 1xil h LEU 49 Ca 0.17 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1xil h LEU 49 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1xil h LEU 49 CO -0.01 0.72 -0.16 0.00 -0.34 0.00 0.00 178.44 178.65 1xil h ALA 50 N 1.11 1.48 -0.01 1.25 0.00 -0.90 -2.15 119.26 120.03 1xil h ALA 50 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xil h ALA 50 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xil h ALA 50 CO -0.02 0.37 -0.04 1.63 0.00 0.00 0.00 179.25 181.19 1xil n LYS 51 N -4.25 1.51 -2.19 0.00 5.02 -0.89 -4.95 118.16 112.41 1xil n LYS 51 Ca -0.01 -0.86 -0.16 0.00 -2.02 0.00 0.00 58.31 55.27 1xil n LYS 51 Cb 0.29 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1xil n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xil n GLY 52 N 1.20 -0.03 3.50 0.72 0.00 -0.78 -4.93 105.19 104.88 1xil n GLY 52 Ca 0.18 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1xil n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xil s ASP 53 N -2.36 6.57 0.24 1.61 3.68 -0.46 -4.84 116.67 121.10 1xil s ASP 53 Ca 0.00 -1.77 0.01 0.00 2.13 0.00 0.00 52.55 52.91 1xil s ASP 53 Cb 0.00 -2.48 0.26 0.00 -1.45 0.00 0.00 42.92 39.25 1xil s ASP 53 CO 0.00 -1.27 1.60 0.58 0.13 0.00 0.00 175.17 176.21 1xil h VAL 54 N 6.28 1.31 -0.51 1.11 2.07 -1.91 -1.52 116.25 123.08 1xil h VAL 54 Ca 0.18 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1xil h VAL 54 Cb 1.02 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1xil h VAL 54 CO 1.26 0.50 0.17 0.74 0.02 0.00 0.00 177.57 180.27 1xil h THR 55 N 0.38 1.22 -0.68 2.57 2.02 -1.98 -1.10 112.91 115.34 1xil h THR 55 Ca 0.03 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 1xil h THR 55 Cb 0.92 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1xil h THR 55 CO 0.08 0.27 0.41 0.00 0.37 0.00 0.00 175.52 176.65 1xil h ALA 56 N 1.03 0.87 -0.30 6.16 0.00 -1.91 -0.09 119.26 125.01 1xil h ALA 56 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xil h ALA 56 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xil h ALA 56 CO -0.01 0.34 0.17 1.96 0.00 0.00 0.00 179.25 181.72 1xil h GLN 57 N 0.93 0.35 -0.51 0.00 4.20 -0.95 -1.68 115.11 117.44 1xil h GLN 57 Ca 0.24 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 1xil h GLN 57 Cb -0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1xil h GLN 57 CO -0.05 0.23 -0.13 0.82 -0.67 0.00 0.00 178.83 179.03 1xil h ILE 58 N 0.36 1.27 0.00 2.54 2.04 -1.00 -2.42 117.51 120.29 1xil h ILE 58 Ca 0.12 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1xil h ILE 58 Cb 0.00 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1xil h ILE 58 CO -0.06 0.45 -0.06 0.00 0.00 0.00 0.00 178.15 178.47 1xil h ALA 59 N 0.97 1.31 0.00 1.87 0.00 -0.73 -1.90 119.26 120.78 1xil h ALA 59 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xil h ALA 59 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xil h ALA 59 CO 0.05 0.08 -0.33 1.28 0.00 0.00 0.00 179.25 180.33 1xil n LEU 60 N -3.61 0.66 -0.16 0.00 4.77 -0.65 -4.35 117.00 113.65 1xil n LEU 60 Ca -0.02 0.36 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1xil n LEU 60 Cb 0.17 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1xil n LEU 60 CO 0.28 -0.08 1.05 1.56 -1.33 0.00 0.00 177.39 178.87 1xil h GLN 61 N 0.00 0.56 -0.70 3.23 4.20 -1.18 -1.65 115.11 119.57 1xil h GLN 61 Ca 0.00 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.73 1xil h GLN 61 Cb 0.70 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1xil h GLN 61 CO 0.00 0.37 0.41 -1.35 -0.67 0.00 0.00 178.83 177.59 1xil h PRO 62 N 0.58 0.73 -0.26 1.46 0.11 -1.77 0.17 132.00 133.01 1xil h PRO 62 Ca 0.20 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 1xil h PRO 62 Cb 0.03 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1xil h PRO 62 CO -0.10 0.48 -0.26 0.00 -0.21 0.00 0.00 178.00 177.92 1xil h ALA 63 N 1.35 1.06 -0.18 -0.75 0.00 -1.74 -0.49 119.26 118.51 1xil h ALA 63 Ca 0.31 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1xil h ALA 63 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xil h ALA 63 CO -0.17 0.57 -0.14 1.25 0.00 0.00 0.00 179.25 180.76 1xil h LEU 64 N 0.45 0.44 -0.39 0.00 7.12 -0.81 -0.33 115.31 121.79 1xil h LEU 64 Ca 0.06 -0.46 -0.07 0.00 0.13 0.00 0.00 57.88 57.55 1xil h LEU 64 Cb 0.69 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1xil h LEU 64 CO 0.05 0.80 -0.01 0.50 -0.13 0.00 0.00 178.44 179.66 1xil h LYS 65 N 0.08 0.70 -0.06 1.25 3.64 -0.90 0.25 116.57 121.53 1xil h LYS 65 Ca 0.03 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1xil h LYS 65 Cb 0.66 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1xil h LYS 65 CO 0.04 0.80 -0.02 0.35 -2.27 0.00 0.00 179.45 178.35 1xil h PHE 66 N 0.52 0.14 0.20 1.91 3.04 -1.08 0.16 116.94 121.83 1xil h PHE 66 Ca 0.11 -0.03 -0.32 0.00 3.98 0.00 0.00 57.97 61.71 1xil h PHE 66 Cb 0.49 -0.03 0.02 0.00 2.56 0.00 0.00 35.95 38.99 1xil h PHE 66 CO 0.04 0.46 -1.48 -0.91 -2.02 0.00 0.00 178.31 174.40 1xil h ASN 67 N -0.22 0.66 -0.30 0.41 2.35 -1.10 -0.32 115.58 117.07 1xil h ASN 67 Ca 0.02 -0.77 -0.03 0.00 -0.55 0.00 0.00 56.30 54.96 1xil h ASN 67 Cb 0.42 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1xil h ASN 67 CO 0.01 1.61 0.05 1.23 -1.65 0.00 0.00 177.43 178.68 1xil h GLY 68 N 0.75 0.53 0.80 2.83 0.00 -0.58 -0.61 103.07 106.80 1xil h GLY 68 Ca -0.24 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 46.77 1xil h GLY 68 CO 0.23 0.33 0.31 -1.33 0.00 0.00 0.00 176.54 176.08 1xil h GLY 69 N 0.32 0.78 0.78 4.60 0.00 -0.76 -0.49 103.07 108.30 1xil h GLY 69 Ca 0.09 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.24 1xil h GLY 69 CO 0.01 0.17 0.33 -1.33 0.00 0.00 0.00 176.54 175.71 1xil h GLY 70 N 0.60 0.83 0.93 4.60 0.00 -0.82 0.70 103.07 109.92 1xil h GLY 70 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xil h GLY 70 CO -0.13 0.17 0.13 0.84 0.00 0.00 0.00 176.54 177.55 1xil h HIS 71 N 0.64 0.37 -0.03 5.60 6.17 -0.78 -1.53 115.15 125.58 1xil h HIS 71 Ca 0.25 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.34 1xil h HIS 71 Cb 0.10 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 29.88 1xil h HIS 71 CO -0.08 0.34 -0.13 0.82 0.71 0.00 0.00 177.93 179.59 1xil h ILE 72 N 0.28 0.66 -0.15 6.26 2.04 -0.61 -1.41 117.51 124.58 1xil h ILE 72 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1xil h ILE 72 Cb 0.11 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1xil h ILE 72 CO -0.01 0.00 0.01 0.78 0.00 0.00 0.00 178.15 178.93 1xil h ASN 73 N -0.21 0.25 -0.01 1.72 2.35 -0.78 -2.18 115.58 116.72 1xil h ASN 73 Ca 0.06 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.38 1xil h ASN 73 Cb 0.29 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1xil h ASN 73 CO -0.15 0.47 -0.44 0.45 -1.65 0.00 0.00 177.43 176.11 1xil h HIS 74 N 0.02 0.66 -0.83 1.19 3.86 -1.30 -0.16 115.15 118.59 1xil h HIS 74 Ca 0.04 -0.20 0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1xil h HIS 74 Cb 0.34 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 1xil h HIS 74 CO 0.03 0.89 0.51 0.77 0.86 0.00 0.00 177.93 180.99 1xil h SER 75 N 0.44 0.80 -0.12 2.45 0.02 -1.08 -1.89 113.55 114.18 1xil h SER 75 Ca 0.03 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1xil h SER 75 Cb 0.95 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1xil h SER 75 CO 0.08 0.52 -0.00 0.40 -1.14 0.00 0.00 176.83 176.69 1xil h ILE 76 N 0.94 1.26 -0.67 3.27 2.04 -1.12 -3.24 117.51 119.99 1xil h ILE 76 Ca 0.36 -0.84 0.12 0.00 1.00 0.00 0.00 64.86 65.50 1xil h ILE 76 Cb 0.15 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 1xil h ILE 76 CO -0.17 0.24 0.24 0.15 0.00 0.00 0.00 178.15 178.62 1xil h PHE 77 N -0.06 0.42 -0.33 1.37 3.57 -0.52 -1.56 116.94 119.83 1xil h PHE 77 Ca 0.03 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1xil h PHE 77 Cb 0.37 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1xil h PHE 77 CO 0.04 0.07 -0.01 -1.49 -2.23 0.00 0.00 178.31 174.68 1xil h TRP 78 N 0.41 0.53 0.00 0.41 -0.00 -1.38 -1.11 115.95 114.80 1xil h TRP 78 Ca 0.36 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 59.19 1xil h TRP 78 Cb 0.50 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.50 1xil h TRP 78 CO -0.18 0.53 0.00 1.79 -0.00 0.00 0.00 178.44 180.58 1xil h THR 79 N 0.49 0.00 -0.00 1.49 1.35 -1.40 -3.05 112.91 111.79 1xil h THR 79 Ca 0.10 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1xil h THR 79 Cb 0.33 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1xil h THR 79 CO 0.01 0.00 -0.03 0.59 -0.25 0.00 0.00 175.52 175.85 1xil n ASN 80 N -3.08 0.09 -4.45 5.36 5.03 -0.43 -4.68 115.26 113.10 1xil n ASN 80 Ca 0.02 -0.24 -0.27 0.00 0.87 0.00 0.00 54.58 54.96 1xil n ASN 80 Cb 0.41 -0.24 -0.11 0.00 -1.02 0.00 0.00 39.78 38.83 1xil n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xil s LEU 81 N -2.55 2.54 -0.23 3.41 1.43 -1.15 0.07 118.68 122.20 1xil s LEU 81 Ca 0.29 -0.79 -0.26 0.00 -1.03 0.00 0.00 54.13 52.34 1xil s LEU 81 Cb 0.20 -1.29 0.09 0.00 0.03 0.00 0.00 46.19 45.23 1xil s LEU 81 CO 0.46 0.12 0.84 -0.55 0.23 0.00 0.00 176.35 177.46 1xil s SER 82 N -2.63 -0.61 0.55 2.29 0.15 0.19 -4.60 113.70 109.05 1xil s SER 82 Ca 0.21 1.05 0.31 0.00 0.70 0.00 0.00 55.95 58.22 1xil s SER 82 Cb -0.08 1.02 1.62 0.00 -1.71 0.00 0.00 66.02 66.87 1xil s SER 82 CO 0.11 -0.29 2.12 1.55 1.20 0.00 0.00 173.24 177.93 1xil h PRO 83 N 4.19 0.00 -0.45 5.44 0.13 -1.85 -2.16 132.00 137.29 1xil h PRO 83 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xil h PRO 83 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xil h PRO 83 CO 0.15 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.08 1xil n ASN 84 N -3.50 3.10 -1.18 1.44 3.02 -1.26 -4.97 115.26 111.91 1xil n ASN 84 Ca -0.02 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1xil n ASN 84 Cb 0.21 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1xil n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xil n GLY 85 N 1.44 1.44 0.00 7.41 0.00 -0.81 -5.00 105.19 109.66 1xil n GLY 85 Ca 0.19 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1xil n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xil n GLY 86 N 5.00 -0.28 7.00 -0.02 0.00 -0.05 -4.66 105.19 112.18 1xil n GLY 86 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1xil n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xil n GLY 87 N -0.36 0.39 3.63 -0.02 0.00 -1.26 -4.81 105.19 102.76 1xil n GLY 87 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1xil n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xil s GLU 88 N 0.00 2.33 0.63 1.61 2.02 -1.26 -5.02 118.70 119.01 1xil s GLU 88 Ca 0.00 -0.93 -0.16 0.00 0.02 0.00 0.00 54.97 53.90 1xil s GLU 88 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 1xil s GLU 88 CO 0.00 0.52 1.12 -1.25 0.02 0.00 0.00 175.26 175.68 1xil s PRO 89 N -2.24 2.94 0.22 0.39 0.04 -1.26 -5.03 135.00 130.06 1xil s PRO 89 Ca 0.23 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.80 1xil s PRO 89 Cb -0.11 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1xil s PRO 89 CO 0.16 -1.15 0.25 0.15 0.04 0.00 0.00 177.00 176.45 1xil s LYS 90 N -3.84 3.15 2.93 4.56 1.02 -1.26 -4.53 119.74 121.77 1xil s LYS 90 Ca 0.69 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1xil s LYS 90 Cb -0.22 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1xil s LYS 90 CO 0.37 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.65 1xil n GLY 91 N -1.03 -0.25 0.28 -3.33 0.00 -1.26 -4.17 105.19 95.42 1xil n GLY 91 Ca -0.08 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 44.93 1xil n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xil h GLU 92 N 0.00 0.46 -0.97 1.61 4.81 -2.00 -2.16 114.58 116.34 1xil h GLU 92 Ca 0.00 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1xil h GLU 92 Cb 0.00 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 1xil h GLU 92 CO 0.00 0.41 0.63 1.25 -0.73 0.00 0.00 179.01 180.57 1xil h LEU 93 N 0.46 1.00 -0.92 1.64 5.85 -1.95 0.91 115.31 122.30 1xil h LEU 93 Ca 0.11 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1xil h LEU 93 Cb 0.15 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1xil h LEU 93 CO -0.01 0.64 -0.04 0.25 -0.34 0.00 0.00 178.44 178.94 1xil h LEU 94 N 1.13 0.72 -0.41 2.25 5.85 -1.59 0.25 115.31 123.52 1xil h LEU 94 Ca 0.41 -0.19 -0.18 0.00 0.84 0.00 0.00 57.88 58.77 1xil h LEU 94 Cb 0.16 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1xil h LEU 94 CO -0.16 0.82 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.66 1xil h GLU 95 N 0.69 0.28 -0.42 1.25 4.39 -1.15 0.37 114.58 120.00 1xil h GLU 95 Ca 0.13 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1xil h GLU 95 Cb 0.49 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1xil h GLU 95 CO 0.02 0.92 0.09 0.00 -1.16 0.00 0.00 179.01 178.88 1xil h ALA 96 N 1.01 0.55 -0.87 3.43 0.00 -0.61 -0.62 119.26 122.15 1xil h ALA 96 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1xil h ALA 96 Cb 1.35 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1xil h ALA 96 CO 0.12 0.25 0.55 0.82 0.00 0.00 0.00 179.25 180.99 1xil h ILE 97 N 0.54 1.12 -0.58 0.00 2.04 -0.62 -0.06 117.51 119.95 1xil h ILE 97 Ca 0.13 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 1xil h ILE 97 Cb 0.34 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1xil h ILE 97 CO 0.00 0.19 0.00 0.11 0.00 0.00 0.00 178.15 178.46 1xil h LYS 98 N 1.06 1.02 -0.63 2.37 1.57 -0.69 -0.75 116.57 120.52 1xil h LYS 98 Ca 0.35 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1xil h LYS 98 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1xil h LYS 98 CO -0.13 1.01 0.24 -0.09 -0.57 0.00 0.00 179.45 179.91 1xil h ARG 99 N 0.91 0.95 0.00 3.15 2.43 -0.62 0.28 114.38 121.48 1xil h ARG 99 Ca 0.16 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 1xil h ARG 99 Cb 0.55 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1xil h ARG 99 CO 0.03 0.81 -1.61 -0.25 -1.51 0.00 0.00 179.97 177.43 1xil n ASP 100 N -4.42 0.65 0.00 -3.80 8.00 -0.08 -4.45 116.55 112.45 1xil n ASP 100 Ca 0.04 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1xil n ASP 100 Cb 0.18 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1xil n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xil n PHE 101 N -2.80 0.00 0.00 1.24 3.01 -0.30 -5.03 117.46 113.57 1xil n PHE 101 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1xil n PHE 101 Cb 0.86 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 1xil n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xil n GLY 102 N 0.88 3.00 3.62 1.37 0.00 0.09 -4.41 105.19 109.73 1xil n GLY 102 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.39 1xil n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xil s SER 103 N 0.24 -0.07 0.17 1.61 1.04 -1.25 -4.77 113.70 110.67 1xil s SER 103 Ca 0.00 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 1xil s SER 103 Cb 0.00 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.36 1xil s SER 103 CO 0.00 -0.31 1.80 0.15 0.98 0.00 0.00 173.24 175.86 1xil h PHE 104 N 2.00 0.74 -0.92 5.02 3.57 -1.90 -1.77 116.94 123.68 1xil h PHE 104 Ca -0.28 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.22 1xil h PHE 104 Cb 1.20 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 1xil h PHE 104 CO 0.32 0.52 0.61 -0.44 -2.23 0.00 0.00 178.31 177.09 1xil h ASP 105 N 0.75 1.06 -0.38 0.41 3.45 -1.97 0.35 116.42 120.10 1xil h ASP 105 Ca 0.20 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.56 1xil h ASP 105 Cb 0.01 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 1xil h ASP 105 CO -0.03 0.78 -0.01 0.11 -1.57 0.00 0.00 179.24 178.51 1xil h LYS 106 N 1.25 0.68 -0.35 3.56 1.57 -1.81 -1.79 116.57 119.68 1xil h LYS 106 Ca 0.34 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1xil h LYS 106 Cb -0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1xil h LYS 106 CO -0.07 0.79 0.17 0.35 -0.57 0.00 0.00 179.45 180.11 1xil h PHE 107 N 0.50 0.31 -0.78 -1.35 3.57 -0.93 -1.39 116.94 116.85 1xil h PHE 107 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1xil h PHE 107 Cb 0.49 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1xil h PHE 107 CO 0.04 0.16 0.36 0.87 -2.23 0.00 0.00 178.31 177.51 1xil h LYS 108 N 0.35 1.13 -0.56 1.11 1.57 -0.59 0.19 116.57 119.76 1xil h LYS 108 Ca 0.15 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xil h LYS 108 Cb 0.07 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1xil h LYS 108 CO -0.12 0.88 0.37 1.49 -0.57 0.00 0.00 179.45 181.50 1xil h GLU 109 N 1.12 0.74 -0.21 3.15 4.57 -1.06 0.84 114.58 123.72 1xil h GLU 109 Ca 0.27 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 1xil h GLU 109 Cb 0.13 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1xil h GLU 109 CO -0.03 0.49 -0.04 0.87 -1.18 0.00 0.00 179.01 179.11 1xil h LYS 110 N 0.76 0.40 -0.25 1.92 1.79 -0.54 -0.07 116.57 120.58 1xil h LYS 110 Ca 0.20 -0.15 -0.12 0.00 -2.18 0.00 0.00 60.65 58.40 1xil h LYS 110 Cb -0.09 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1xil h LYS 110 CO -0.04 0.64 -0.35 1.25 -1.08 0.00 0.00 179.45 179.87 1xil h LEU 111 N 0.13 0.58 -0.06 2.94 5.85 -0.90 -0.37 115.31 123.47 1xil h LEU 111 Ca 0.05 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1xil h LEU 111 Cb 0.49 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1xil h LEU 111 CO 0.02 0.88 0.03 0.74 -0.34 0.00 0.00 178.44 179.77 1xil h THR 112 N 0.47 1.08 -0.87 1.05 2.02 -0.72 -1.50 112.91 114.43 1xil h THR 112 Ca 0.05 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1xil h THR 112 Cb 0.83 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 1xil h THR 112 CO 0.07 0.07 0.57 0.00 0.37 0.00 0.00 175.52 176.59 1xil h ALA 113 N 0.94 1.13 -0.44 6.16 0.00 -0.78 0.87 119.26 127.15 1xil h ALA 113 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xil h ALA 113 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xil h ALA 113 CO -0.00 0.44 0.09 0.00 0.00 0.00 0.00 179.25 179.78 1xil h ALA 114 N 1.35 1.35 0.00 0.00 0.00 -0.86 -1.79 119.26 119.31 1xil h ALA 114 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xil h ALA 114 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xil h ALA 114 CO -0.10 0.46 -0.04 0.77 0.00 0.00 0.00 179.25 180.34 1xil h SER 115 N 0.64 0.03 0.29 0.00 0.02 -0.58 -3.23 113.55 110.71 1xil h SER 115 Ca 0.14 -0.84 -0.04 0.00 -0.84 0.00 0.00 61.79 60.21 1xil h SER 115 Cb 0.26 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1xil h SER 115 CO -0.00 0.87 -0.20 -0.37 -1.14 0.00 0.00 176.83 175.99 1xil h VAL 116 N -0.80 0.96 0.00 2.27 -1.51 -0.89 -2.90 116.25 113.38 1xil h VAL 116 Ca -0.01 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1xil h VAL 116 Cb 0.88 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1xil h VAL 116 CO 0.01 0.19 0.00 1.23 -1.23 0.00 0.00 177.57 177.77 1xil h GLY 117 N 0.77 0.00 -5.36 5.19 0.00 -1.38 -3.45 103.07 98.84 1xil h GLY 117 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 1xil h GLY 117 CO 0.03 0.00 1.21 0.14 0.00 0.00 0.00 176.54 177.92 1xil s VAL 118 N -3.30 3.13 -1.23 4.60 1.01 -1.10 -4.88 120.40 118.63 1xil s VAL 118 Ca 0.06 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 1xil s VAL 118 Cb 0.10 -3.10 0.21 0.00 0.00 0.00 0.00 36.38 33.58 1xil s VAL 118 CO 0.50 -0.01 1.77 0.00 0.00 0.00 0.00 175.10 177.36 1xil n GLN 119 N 7.48 3.86 -0.04 2.72 6.02 -1.26 -4.78 117.38 131.38 1xil n GLN 119 Ca 0.20 -3.81 0.00 0.00 -0.01 0.00 0.00 57.00 53.37 1xil n GLN 119 Cb 0.41 -2.81 0.00 0.00 1.02 0.00 0.00 30.24 28.86 1xil n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xil n GLY 120 N 2.39 0.89 3.85 1.08 0.00 -1.26 -5.11 105.19 107.03 1xil n GLY 120 Ca 0.36 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 1xil n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xil s SER 121 N -4.00 6.77 0.00 1.61 0.01 -1.26 -4.84 113.70 111.99 1xil s SER 121 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1xil s SER 121 Cb 0.00 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1xil s SER 121 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1xil n GLY 122 N -0.32 -0.53 2.88 3.44 0.00 -1.26 -0.94 105.19 108.47 1xil n GLY 122 Ca 0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1xil n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xil s TRP 123 N -3.03 0.03 -0.09 1.61 0.52 -0.35 -1.02 118.94 116.60 1xil s TRP 123 Ca 0.00 -0.05 -0.10 0.00 0.02 0.00 0.00 56.10 55.97 1xil s TRP 123 Cb 0.00 -0.02 -0.05 0.00 -1.15 0.00 0.00 33.47 32.25 1xil s TRP 123 CO 0.00 -0.02 0.24 0.20 0.02 0.00 0.00 176.95 177.39 1xil s GLY 124 N -0.14 2.26 -0.00 0.98 0.00 -0.37 -0.54 107.32 109.51 1xil s GLY 124 Ca -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.25 1xil s GLY 124 CO -0.00 -0.11 -0.11 -0.98 0.00 0.00 0.00 173.10 171.90 1xil s TRP 125 N -0.82 0.98 -0.27 1.90 0.52 0.14 -0.46 118.94 120.91 1xil s TRP 125 Ca 0.17 -0.21 -0.17 0.00 0.02 0.00 0.00 56.10 55.92 1xil s TRP 125 Cb -0.14 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 1xil s TRP 125 CO 0.07 -0.01 0.45 -1.17 0.02 0.00 0.00 176.95 176.31 1xil s LEU 126 N -0.38 4.07 0.39 2.99 2.96 0.25 -1.58 118.68 127.37 1xil s LEU 126 Ca 0.03 0.38 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1xil s LEU 126 Cb -0.05 -2.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 1xil s LEU 126 CO -0.00 -0.25 0.01 -0.83 -1.32 0.00 0.00 176.35 173.95 1xil s GLY 127 N 1.60 2.43 -0.16 7.98 0.00 0.46 -0.62 107.32 119.00 1xil s GLY 127 Ca 0.18 -2.26 -0.02 0.00 0.00 0.00 0.00 44.72 42.63 1xil s GLY 127 CO 0.10 -2.05 -0.10 -0.12 0.00 0.00 0.00 173.10 170.93 1xil s PHE 128 N -2.79 2.88 -0.63 1.90 5.36 0.14 -0.50 117.98 124.34 1xil s PHE 128 Ca 0.35 -0.75 -0.22 0.00 -0.96 0.00 0.00 56.93 55.35 1xil s PHE 128 Cb 0.09 -1.94 0.08 0.00 -0.34 0.00 0.00 43.02 40.91 1xil s PHE 128 CO 0.18 -0.33 0.88 1.21 -1.46 0.00 0.00 175.22 175.70 1xil s ASN 129 N 0.74 6.18 0.41 6.13 3.84 0.20 -0.95 114.94 131.49 1xil s ASN 129 Ca -0.04 -1.07 0.15 0.00 0.21 0.00 0.00 52.86 52.10 1xil s ASN 129 Cb -0.15 -2.38 0.87 0.00 -0.55 0.00 0.00 41.25 39.04 1xil s ASN 129 CO 0.02 -1.33 1.90 0.11 -2.79 0.00 0.00 177.10 175.01 1xil h LYS 130 N 9.44 0.00 -0.29 0.43 1.57 -1.87 0.21 116.57 126.05 1xil h LYS 130 Ca -0.29 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 1xil h LYS 130 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1xil h LYS 130 CO 1.15 0.29 -0.44 1.49 -0.57 0.00 0.00 179.45 181.37 1xil h GLU 131 N 0.00 0.75 0.00 3.15 4.81 -1.92 -3.21 114.58 118.16 1xil h GLU 131 Ca -0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1xil h GLU 131 Cb 0.53 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1xil h GLU 131 CO 0.04 1.04 -1.16 0.54 -0.73 0.00 0.00 179.01 178.74 1xil n ARG 132 N -4.02 0.48 -3.16 1.92 5.12 -1.10 -4.99 116.66 110.90 1xil n ARG 132 Ca -0.02 0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1xil n ARG 132 Cb 0.56 -1.68 0.05 0.00 -1.16 0.00 0.00 32.46 30.23 1xil n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xil n GLY 133 N 1.27 -0.04 3.60 -0.13 0.00 0.71 -5.03 105.19 105.57 1xil n GLY 133 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1xil n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xil s HIS 134 N -3.18 0.38 0.62 1.61 -3.43 -1.11 -5.01 115.29 105.17 1xil s HIS 134 Ca 0.36 -0.74 -0.14 0.00 -0.80 0.00 0.00 55.06 53.74 1xil s HIS 134 Cb -0.16 0.21 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 1xil s HIS 134 CO 0.45 -1.02 1.06 -0.51 -2.00 0.00 0.00 174.74 172.72 1xil s LEU 135 N -3.03 3.40 -0.23 5.38 1.43 -1.26 -0.63 118.68 123.74 1xil s LEU 135 Ca 0.22 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.96 1xil s LEU 135 Cb -0.01 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.76 1xil s LEU 135 CO 0.10 -1.24 0.56 -1.58 0.23 0.00 0.00 176.35 174.41 1xil s GLN 136 N -4.32 0.57 0.09 1.70 0.74 0.35 -4.78 119.66 114.00 1xil s GLN 136 Ca 0.62 1.03 -0.12 0.00 0.05 0.00 0.00 55.36 56.94 1xil s GLN 136 Cb -0.15 0.07 -0.06 0.00 1.10 0.00 0.00 33.01 33.96 1xil s GLN 136 CO 0.41 -0.15 0.44 0.42 -0.55 0.00 0.00 175.29 175.86 1xil s ILE 137 N 1.52 5.02 0.00 -2.34 1.01 -1.26 -0.41 121.20 124.75 1xil s ILE 137 Ca -0.10 0.61 -0.19 0.00 0.00 0.00 0.00 60.65 60.97 1xil s ILE 137 Cb -0.07 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.76 1xil s ILE 137 CO -0.17 0.32 0.41 0.00 0.00 0.00 0.00 174.94 175.50 1xil s ALA 138 N -1.37 -1.02 0.03 9.38 0.00 -0.61 -4.98 121.76 123.19 1xil s ALA 138 Ca 0.33 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1xil s ALA 138 Cb -0.15 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1xil s ALA 138 CO 0.18 -0.36 -0.11 0.00 0.00 0.00 0.00 175.76 175.47 1xil s ALA 139 N -1.79 2.87 -0.01 0.00 0.00 -1.26 0.24 121.76 121.81 1xil s ALA 139 Ca -0.10 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.81 1xil s ALA 139 Cb -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1xil s ALA 139 CO 0.02 0.61 -0.19 0.00 0.00 0.00 0.00 175.76 176.20 1xil s PRO 141 N -0.48 4.46 6.89 0.00 0.04 -1.26 -1.21 135.00 143.44 1xil s PRO 141 Ca 0.07 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1xil s PRO 141 Cb -0.07 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1xil s PRO 141 CO -0.01 0.20 0.00 0.09 0.04 0.00 0.00 177.00 177.32 1xil n ASN 142 N 0.21 0.00 -0.88 6.66 3.02 -0.11 -1.10 115.26 123.06 1xil n ASN 142 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.66 1xil n ASN 142 Cb 0.51 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.91 1xil n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xil n GLN 143 N 14.00 3.03 -1.66 3.52 1.13 -1.26 -4.06 117.38 132.08 1xil n GLN 143 Ca 0.00 -2.56 -0.47 0.00 -1.94 0.00 0.00 57.00 52.03 1xil n GLN 143 Cb 0.00 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 28.66 1xil n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xil n ASP 144 N 0.04 3.56 -4.85 1.08 10.43 -0.26 -3.90 116.55 122.65 1xil n ASP 144 Ca 0.18 0.89 -0.32 0.00 2.57 0.00 0.00 54.79 58.11 1xil n ASP 144 Cb 0.73 -1.41 -0.04 0.00 1.84 0.00 0.00 41.12 42.24 1xil n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1xil s PRO 145 N 4.41 3.93 0.05 -0.24 0.04 -1.26 -4.66 135.00 137.27 1xil s PRO 145 Ca 0.93 0.85 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 1xil s PRO 145 Cb -0.62 -2.20 -0.17 0.00 0.04 0.00 0.00 34.50 31.55 1xil s PRO 145 CO 0.49 -0.19 1.53 1.25 0.04 0.00 0.00 177.00 180.12 1xil h LEU 146 N 1.10 -0.23 -0.24 -3.56 5.85 -1.90 -2.50 115.31 113.83 1xil h LEU 146 Ca -0.47 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 1xil h LEU 146 Cb 1.18 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1xil h LEU 146 CO 0.62 -0.03 -0.06 -0.61 -0.34 0.00 0.00 178.44 178.02 1xil h GLN 147 N -0.42 0.47 0.00 1.25 4.15 -1.87 -0.52 115.11 118.16 1xil h GLN 147 Ca -0.03 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1xil h GLN 147 Cb 0.32 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 1xil h GLN 147 CO 0.05 0.70 -0.09 0.78 -1.93 0.00 0.00 178.83 178.34 1xil h GLY 148 N 0.21 0.00 0.00 2.39 0.00 -1.87 0.27 103.07 104.08 1xil h GLY 148 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xil h GLY 148 CO 0.02 0.00 -1.48 -1.30 0.00 0.00 0.00 176.54 173.79 1xil n THR 149 N -3.25 0.00 0.00 4.70 -2.24 -0.94 -4.75 114.28 107.80 1xil n THR 149 Ca -0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1xil n THR 149 Cb 0.33 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1xil n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xil n THR 150 N -1.88 0.00 0.00 4.28 -2.24 -0.21 -5.05 114.28 109.18 1xil n THR 150 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1xil n THR 150 Cb 0.34 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1xil n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xil n GLY 151 N 1.18 2.93 3.76 3.38 0.00 0.08 -5.01 105.19 111.52 1xil n GLY 151 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xil n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xil s LEU 152 N 0.00 4.34 -0.17 0.99 1.43 -1.26 -4.80 118.68 119.22 1xil s LEU 152 Ca 0.00 2.94 -0.23 0.00 -1.03 0.00 0.00 54.13 55.81 1xil s LEU 152 Cb 0.00 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1xil s LEU 152 CO 0.00 -0.85 0.75 -0.63 0.23 0.00 0.00 176.35 175.85 1xil s ILE 153 N -0.51 4.94 0.16 -0.59 -1.09 -0.13 -3.02 121.20 120.97 1xil s ILE 153 Ca 0.58 1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 60.15 1xil s ILE 153 Cb -0.46 -4.06 -0.08 0.00 -1.58 0.00 0.00 42.46 36.28 1xil s ILE 153 CO 0.54 0.07 1.23 -2.16 -1.23 0.00 0.00 174.94 173.39 1xil s PRO 154 N 1.97 4.45 -0.12 2.79 0.04 -1.26 -0.68 135.00 142.18 1xil s PRO 154 Ca 0.35 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 1xil s PRO 154 Cb -0.16 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 1xil s PRO 154 CO 0.12 -0.17 -0.14 1.28 0.04 0.00 0.00 177.00 178.13 1xil n LEU 155 N 2.84 1.62 -3.73 -3.56 4.77 0.21 -4.92 117.00 114.24 1xil n LEU 155 Ca 0.06 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 1xil n LEU 155 Cb 0.44 -0.38 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1xil n LEU 155 CO 0.56 0.41 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.55 1xil s LEU 156 N -6.31 0.55 0.02 2.23 2.96 -0.90 -4.54 118.68 112.69 1xil s LEU 156 Ca -0.17 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1xil s LEU 156 Cb 0.06 0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.92 1xil s LEU 156 CO 0.23 -0.18 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.07 1xil s GLY 157 N 1.51 1.52 -0.21 7.98 0.00 -1.26 -0.59 107.32 116.26 1xil s GLY 157 Ca -0.05 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.54 1xil s GLY 157 CO -0.05 -1.01 -0.13 -0.42 0.00 0.00 0.00 173.10 171.49 1xil s ILE 158 N -0.85 1.94 -0.10 0.90 -1.09 0.39 -4.90 121.20 117.50 1xil s ILE 158 Ca 0.13 -1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 57.05 1xil s ILE 158 Cb -0.10 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 1xil s ILE 158 CO 0.03 0.20 1.20 -0.62 -1.23 0.00 0.00 174.94 174.53 1xil s ASP 159 N 1.26 7.03 -0.16 3.58 3.68 -1.26 -1.24 116.67 129.56 1xil s ASP 159 Ca -0.02 1.75 0.14 0.00 2.13 0.00 0.00 52.55 56.55 1xil s ASP 159 Cb -0.17 -2.55 0.41 0.00 -1.45 0.00 0.00 42.92 39.16 1xil s ASP 159 CO -0.08 -0.63 1.20 1.33 0.13 0.00 0.00 175.17 177.12 1xil n VAL 160 N 4.85 1.76 -1.89 1.11 0.24 -0.19 -4.86 118.33 119.35 1xil n VAL 160 Ca 0.12 -2.73 -0.38 0.00 -2.04 0.00 0.00 64.34 59.30 1xil n VAL 160 Cb 0.46 -0.01 0.03 0.00 -1.47 0.00 0.00 33.84 32.85 1xil n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1xil s TRP 161 N -2.59 2.43 0.49 6.34 0.52 -1.13 -4.21 118.94 120.80 1xil s TRP 161 Ca 0.36 1.40 0.15 0.00 0.02 0.00 0.00 56.10 58.03 1xil s TRP 161 Cb 0.36 -3.71 1.18 0.00 -1.15 0.00 0.00 33.47 30.15 1xil s TRP 161 CO -0.08 -2.58 2.11 0.93 0.02 0.00 0.00 176.95 177.35 1xil h GLU 162 N 1.65 0.14 0.00 4.98 5.08 -1.94 -1.11 114.58 123.39 1xil h GLU 162 Ca -0.51 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1xil h GLU 162 Cb 1.29 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xil h GLU 162 CO 0.58 0.09 -0.00 1.12 -1.00 0.00 0.00 179.01 179.80 1xil h HIS 163 N 0.14 0.00 0.00 4.33 2.07 -1.98 -3.43 115.15 116.28 1xil h HIS 163 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 1xil h HIS 163 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 1xil h HIS 163 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1xil n ALA 164 N -2.09 2.07 0.00 6.11 0.00 -0.42 -4.92 120.51 121.26 1xil n ALA 164 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xil n ALA 164 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1xil n ALA 164 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xil n LEU 167 N 0.68 0.00 -1.13 0.00 4.77 -1.26 -5.03 117.00 115.02 1xil n LEU 167 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1xil n LEU 167 Cb 0.28 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.58 1xil n LEU 167 CO 0.00 0.00 0.69 1.67 -1.33 0.00 0.00 177.39 178.42 1xil n GLN 168 N -0.53 2.48 0.00 3.23 7.27 -1.26 -5.12 117.38 123.46 1xil n GLN 168 Ca 0.00 -2.27 0.00 0.00 0.07 0.00 0.00 57.00 54.80 1xil n GLN 168 Cb 0.00 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.15 1xil n GLN 168 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1xil n LYS 170 N 1.47 0.00 0.00 3.69 4.76 -1.26 -5.09 118.16 121.73 1xil n LYS 170 Ca 0.19 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.73 1xil n LYS 170 Cb 0.60 0.00 0.52 0.00 -1.84 0.00 0.00 35.03 34.31 1xil n LYS 170 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xil n ASN 171 N 0.00 0.00 -4.09 4.39 6.94 -1.26 -4.61 115.26 116.64 1xil n ASN 171 Ca 0.00 0.06 -0.43 0.00 -0.02 0.00 0.00 54.58 54.19 1xil n ASN 171 Cb 0.00 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 1xil n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1xil n VAL 172 N -1.32 4.14 -0.29 3.53 0.31 -1.26 -4.81 118.33 118.63 1xil n VAL 172 Ca 0.09 -4.24 0.12 0.00 -0.01 0.00 0.00 64.34 60.30 1xil n VAL 172 Cb 0.18 -2.43 0.28 0.00 -0.91 0.00 0.00 33.84 30.96 1xil n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1xil h ARG 173 N 6.36 0.29 0.00 5.55 2.43 -2.00 -0.31 114.38 126.70 1xil h ARG 173 Ca 0.41 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1xil h ARG 173 Cb 0.72 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1xil h ARG 173 CO 1.55 0.19 -0.01 -1.35 -1.51 0.00 0.00 179.97 178.84 1xil h PRO 174 N 0.30 0.00 -1.19 0.20 0.11 -1.97 -1.27 132.00 128.18 1xil h PRO 174 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1xil h PRO 174 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1xil h PRO 174 CO -0.57 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 176.98 1xil n ASP 175 N -4.17 1.54 0.00 -2.05 8.00 -0.13 -1.08 116.55 118.67 1xil n ASP 175 Ca -0.03 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1xil n ASP 175 Cb 0.10 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1xil n ASP 175 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xil n LEU 177 N 0.56 0.00 -0.26 0.64 7.99 -0.48 -1.85 117.00 123.61 1xil n LEU 177 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.97 1xil n LEU 177 Cb 0.27 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.72 1xil n LEU 177 CO 0.00 0.00 1.13 0.50 -1.51 0.00 0.00 177.39 177.51 1xil h LYS 178 N 0.00 1.10 -0.19 3.23 3.64 -1.37 -3.02 116.57 119.97 1xil h LYS 178 Ca 0.00 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1xil h LYS 178 Cb 0.00 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1xil h LYS 178 CO 0.00 0.83 -0.54 0.00 -2.27 0.00 0.00 179.45 177.47 1xil h ALA 179 N 1.33 0.70 0.00 5.00 0.00 -1.64 -3.27 119.26 121.39 1xil h ALA 179 Ca 0.27 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1xil h ALA 179 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xil h ALA 179 CO -0.04 0.69 -0.17 0.97 0.00 0.00 0.00 179.25 180.70 1xil h ILE 180 N 0.43 0.64 -0.05 0.00 2.10 -1.81 -0.84 117.51 117.98 1xil h ILE 180 Ca 0.01 -0.75 0.02 0.00 1.08 0.00 0.00 64.86 65.21 1xil h ILE 180 Cb 1.08 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 38.29 1xil h ILE 180 CO 0.10 0.17 0.06 -0.50 -1.08 0.00 0.00 178.15 176.91 1xil h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.64 -1.29 115.95 119.27 1xil h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1xil h TRP 181 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1xil h TRP 181 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1xil n ASN 182 N -3.77 0.24 -0.13 -3.49 3.02 -0.32 -3.42 115.26 107.38 1xil n ASN 182 Ca -0.02 0.56 0.03 0.00 -0.03 0.00 0.00 54.58 55.12 1xil n ASN 182 Cb 0.16 -0.61 0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1xil n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1xil n VAL 183 N -1.76 0.83 -2.00 2.41 0.24 -0.49 -2.94 118.33 114.63 1xil n VAL 183 Ca 0.03 -0.94 -0.42 0.00 -2.04 0.00 0.00 64.34 60.97 1xil n VAL 183 Cb 0.20 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 1xil n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xil s ILE 184 N -1.12 2.78 -1.03 1.34 -1.09 -1.18 -0.64 121.20 120.25 1xil s ILE 184 Ca 0.09 0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 58.89 1xil s ILE 184 Cb 0.08 -3.37 0.10 0.00 -1.58 0.00 0.00 42.46 37.70 1xil s ILE 184 CO 0.01 0.05 1.34 0.21 -1.23 0.00 0.00 174.94 175.32 1xil s ASN 185 N 1.03 6.65 0.47 3.58 3.84 0.11 -0.87 114.94 129.75 1xil s ASN 185 Ca 0.67 -1.98 0.24 0.00 0.21 0.00 0.00 52.86 52.01 1xil s ASN 185 Cb -0.42 -2.48 1.16 0.00 -0.55 0.00 0.00 41.25 38.96 1xil s ASN 185 CO 0.33 -1.20 1.95 -0.50 -2.79 0.00 0.00 177.10 174.88 1xil h TRP 186 N 8.87 0.00 -0.76 0.43 4.06 -1.89 -1.60 115.95 125.06 1xil h TRP 186 Ca 0.22 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.22 1xil h TRP 186 Cb 0.99 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.09 1xil h TRP 186 CO 1.23 0.20 0.45 1.49 -3.56 0.00 0.00 178.44 178.25 1xil h GLU 187 N 0.00 0.82 -0.27 0.49 4.81 -1.97 0.23 114.58 118.69 1xil h GLU 187 Ca -0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1xil h GLU 187 Cb 0.52 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1xil h GLU 187 CO 0.03 0.54 -0.18 -0.97 -0.73 0.00 0.00 179.01 177.70 1xil h ASN 188 N 0.84 0.64 -0.88 1.04 -0.73 -1.59 -1.52 115.58 113.39 1xil h ASN 188 Ca 0.33 -0.43 -0.02 0.00 1.87 0.00 0.00 56.30 58.04 1xil h ASN 188 Cb 0.15 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 1xil h ASN 188 CO -0.16 0.93 0.46 0.58 -0.37 0.00 0.00 177.43 178.87 1xil h VAL 189 N 0.34 1.26 -0.70 2.57 2.07 -1.14 -1.25 116.25 119.41 1xil h VAL 189 Ca 0.06 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1xil h VAL 189 Cb 0.72 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1xil h VAL 189 CO 0.05 0.30 0.33 0.74 0.02 0.00 0.00 177.57 179.01 1xil h THR 190 N 1.23 1.24 -0.46 2.57 2.02 -0.47 -2.82 112.91 116.22 1xil h THR 190 Ca 0.30 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1xil h THR 190 Cb 0.07 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1xil h THR 190 CO -0.04 0.28 0.21 -0.33 0.37 0.00 0.00 175.52 176.01 1xil h GLU 191 N 0.99 0.41 -0.75 6.66 5.08 -0.69 0.18 114.58 126.46 1xil h GLU 191 Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xil h GLU 191 Cb 0.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xil h GLU 191 CO -0.03 0.27 0.00 0.54 -1.00 0.00 0.00 179.01 178.80 1xil n ARG 192 N -4.93 0.17 0.00 2.33 1.74 -0.52 -2.18 116.66 113.27 1xil n ARG 192 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1xil n ARG 192 Cb 0.13 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1xil n ARG 192 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1xil n MET 194 N 0.59 0.00 0.07 5.56 2.81 0.63 -3.47 117.12 123.31 1xil n MET 194 Ca 0.00 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 1xil n MET 194 Cb 0.06 0.00 0.43 0.00 -0.71 0.00 0.00 33.22 33.00 1xil n MET 194 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xil n ALA 195 N 0.00 1.80 1.09 3.04 0.00 -0.93 -1.91 120.51 123.60 1xil n ALA 195 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1xil n ALA 195 Cb 0.00 -1.36 0.23 0.00 0.00 0.00 0.00 19.45 18.33 1xil n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xil s LYS 197 N -2.78 2.30 0.00 0.00 3.01 -0.80 -5.00 119.74 116.47 1xil s LYS 197 Ca 0.16 -1.07 0.00 0.00 -1.01 0.00 0.00 55.97 54.05 1xil s LYS 197 Cb 0.18 -5.21 0.00 0.00 -1.01 0.00 0.00 37.83 31.79 1xil s LYS 197 CO 0.64 -4.21 0.00 1.63 0.51 0.00 0.00 175.35 173.92