#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwy s PHE 2 N 0.00 2.64 -0.47 1.12 2.19 -1.26 -0.54 117.98 121.66 1xwy s PHE 2 Ca 0.00 -0.54 -0.17 0.00 0.33 0.00 0.00 56.93 56.55 1xwy s PHE 2 Cb 0.00 -1.69 0.06 0.00 -1.31 0.00 0.00 43.02 40.08 1xwy s PHE 2 CO 0.00 -0.10 0.45 0.34 1.83 0.00 0.00 175.22 177.74 1xwy s ASP 3 N -0.16 6.17 0.00 6.13 -1.08 -0.69 -4.58 116.67 122.46 1xwy s ASP 3 Ca -0.02 -1.09 0.29 0.00 -0.52 0.00 0.00 52.55 51.21 1xwy s ASP 3 Cb -0.14 -2.21 1.53 0.00 -1.46 0.00 0.00 42.92 40.64 1xwy s ASP 3 CO 0.04 -0.68 2.02 2.30 0.52 0.00 0.00 175.17 179.37 1xwy n ILE 4 N 5.33 0.05 -3.39 4.11 -5.35 -1.02 -1.13 119.36 117.96 1xwy n ILE 4 Ca -0.10 0.01 -0.27 0.00 -0.27 0.00 0.00 62.75 62.12 1xwy n ILE 4 Cb 0.45 -0.54 -0.10 0.00 -1.74 0.00 0.00 39.64 37.71 1xwy n ILE 4 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1xwy s GLY 5 N -2.43 1.13 -0.21 3.28 0.00 -1.25 -4.61 107.32 103.22 1xwy s GLY 5 Ca 0.31 -2.37 -0.03 0.00 0.00 0.00 0.00 44.72 42.64 1xwy s GLY 5 CO 0.41 2.14 -0.08 0.14 0.00 0.00 0.00 173.10 175.72 1xwy s VAL 6 N 0.19 3.11 -1.31 1.40 1.01 -0.75 -1.25 120.40 122.79 1xwy s VAL 6 Ca 0.31 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1xwy s VAL 6 Cb 0.01 -2.40 0.13 0.00 0.00 0.00 0.00 36.38 34.13 1xwy s VAL 6 CO -0.17 0.45 2.22 0.59 0.00 0.00 0.00 175.10 178.19 1xwy n ASN 7 N 4.72 7.12 0.21 3.32 3.02 -0.21 -1.89 115.26 131.55 1xwy n ASN 7 Ca -0.19 -3.13 0.15 0.00 -0.03 0.00 0.00 54.58 51.38 1xwy n ASN 7 Cb 0.51 -1.40 0.72 0.00 -0.61 0.00 0.00 39.78 38.99 1xwy n ASN 7 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1xwy h LEU 8 N 6.31 0.00 -0.01 3.41 5.85 -1.88 -2.22 115.31 126.78 1xwy h LEU 8 Ca 0.60 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.32 1xwy h LEU 8 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1xwy h LEU 8 CO 1.53 0.00 -0.01 0.35 -0.34 0.00 0.00 178.44 179.97 1xwy n THR 9 N -2.56 0.00 -1.70 1.05 -2.24 -1.26 -4.84 114.28 102.73 1xwy n THR 9 Ca -0.01 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1xwy n THR 9 Cb 0.14 -0.48 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 1xwy n THR 9 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xwy n SER 10 N -1.36 2.53 0.30 3.42 7.64 -0.84 -4.87 113.62 120.44 1xwy n SER 10 Ca 0.11 1.13 0.17 0.00 1.01 0.00 0.00 58.87 61.30 1xwy n SER 10 Cb 0.28 -1.49 0.93 0.00 -1.01 0.00 0.00 64.21 62.93 1xwy n SER 10 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1xwy h SER 11 N 2.18 0.00 0.20 6.43 0.02 -1.91 0.24 113.55 120.71 1xwy h SER 11 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1xwy h SER 11 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1xwy h SER 11 CO 0.60 0.04 0.00 1.56 -1.14 0.00 0.00 176.83 177.89 1xwy h GLN 12 N 0.00 0.00 -0.18 3.45 4.20 -1.95 -2.07 115.11 118.55 1xwy h GLN 12 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xwy h GLN 12 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1xwy h GLN 12 CO 0.00 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.35 1xwy n PHE 13 N -2.71 0.23 -0.19 2.96 3.72 0.07 -4.72 117.46 116.83 1xwy n PHE 13 Ca -0.01 -0.18 -0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1xwy n PHE 13 Cb 0.10 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 38.73 1xwy n PHE 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xwy h ALA 14 N 2.95 0.67 -0.00 4.37 0.00 -1.43 -1.76 119.26 124.06 1xwy h ALA 14 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1xwy h ALA 14 Cb 0.71 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xwy h ALA 14 CO 0.00 -0.30 -0.77 0.87 0.00 0.00 0.00 179.25 179.05 1xwy h LYS 15 N 0.26 0.00 -0.23 0.00 1.57 -1.84 -3.39 116.57 112.93 1xwy h LYS 15 Ca 0.30 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.86 1xwy h LYS 15 Cb 0.43 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.40 1xwy h LYS 15 CO -0.38 0.77 -0.96 -0.40 -0.57 0.00 0.00 179.45 177.91 1xwy n ASP 16 N -3.62 1.76 -0.26 0.86 5.75 -1.16 -4.89 116.55 114.98 1xwy n ASP 16 Ca -0.01 -2.49 0.02 0.00 -0.01 0.00 0.00 54.79 52.31 1xwy n ASP 16 Cb 0.75 -0.40 0.15 0.00 -1.03 0.00 0.00 41.12 40.59 1xwy n ASP 16 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1xwy h ARG 17 N 1.68 0.65 -0.75 0.11 2.43 -1.52 -0.03 114.38 116.94 1xwy h ARG 17 Ca -0.10 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1xwy h ARG 17 Cb 1.52 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.88 1xwy h ARG 17 CO 0.19 0.43 0.50 -0.44 -1.51 0.00 0.00 179.97 179.14 1xwy h ASP 18 N 0.67 0.81 -0.21 -3.80 3.32 -1.90 -1.98 116.42 113.33 1xwy h ASP 18 Ca 0.37 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 1xwy h ASP 18 Cb 0.37 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1xwy h ASP 18 CO -0.26 0.56 -0.24 0.44 -1.72 0.00 0.00 179.24 178.02 1xwy h ASP 19 N 0.94 0.57 -0.66 6.45 3.32 -1.45 -1.97 116.42 123.63 1xwy h ASP 19 Ca 0.29 -0.49 0.08 0.00 0.02 0.00 0.00 57.03 56.93 1xwy h ASP 19 Cb 0.01 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 1xwy h ASP 19 CO -0.08 0.95 0.32 0.58 -1.72 0.00 0.00 179.24 179.29 1xwy h VAL 20 N 0.21 0.88 -0.17 -1.35 2.07 -0.79 0.12 116.25 117.21 1xwy h VAL 20 Ca 0.03 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1xwy h VAL 20 Cb 0.80 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1xwy h VAL 20 CO 0.06 0.10 -0.09 0.58 0.02 0.00 0.00 177.57 178.24 1xwy h VAL 21 N 0.57 1.31 -0.60 2.57 2.07 -1.36 -1.98 116.25 118.84 1xwy h VAL 21 Ca 0.31 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1xwy h VAL 21 Cb 0.30 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1xwy h VAL 21 CO -0.24 0.34 0.18 0.00 0.02 0.00 0.00 177.57 177.87 1xwy h ALA 22 N 0.67 0.78 -0.37 1.67 0.00 -1.07 -2.39 119.26 118.56 1xwy h ALA 22 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1xwy h ALA 22 Cb 0.58 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xwy h ALA 22 CO 0.03 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 1xwy h ALA 24 N 1.44 0.15 -0.59 0.00 0.00 -1.00 -1.34 119.26 117.93 1xwy h ALA 24 Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xwy h ALA 24 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1xwy h ALA 24 CO 0.01 -0.31 -0.03 0.74 0.00 0.00 0.00 179.25 179.66 1xwy h PHE 25 N 0.10 1.17 -0.02 0.00 0.04 -1.21 -1.92 116.94 115.10 1xwy h PHE 25 Ca 0.04 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 1xwy h PHE 25 Cb 0.07 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1xwy h PHE 25 CO -0.04 1.04 -0.15 0.22 -0.60 0.00 0.00 178.31 178.78 1xwy h ASP 26 N 0.96 0.03 0.09 2.17 3.58 -1.08 -0.75 116.42 121.42 1xwy h ASP 26 Ca 0.16 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1xwy h ASP 26 Cb 0.60 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1xwy h ASP 26 CO 0.04 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.59 1xwy n ALA 27 N -2.51 2.65 0.00 -0.78 0.00 -0.51 -4.89 120.51 114.47 1xwy n ALA 27 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1xwy n ALA 27 Cb 0.23 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1xwy n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwy n GLY 28 N 1.03 0.59 3.75 0.00 0.00 -0.29 -4.90 105.19 105.38 1xwy n GLY 28 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1xwy n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwy s VAL 29 N -2.00 3.45 -0.34 1.61 1.01 -0.78 -4.62 120.40 118.73 1xwy s VAL 29 Ca 0.00 1.36 0.13 0.00 0.00 0.00 0.00 61.98 63.47 1xwy s VAL 29 Cb 0.00 -3.87 0.34 0.00 0.00 0.00 0.00 36.38 32.85 1xwy s VAL 29 CO 0.00 0.28 1.25 0.59 0.00 0.00 0.00 175.10 177.23 1xwy n ASN 30 N 1.65 3.02 0.00 3.32 4.13 0.30 -4.22 115.26 123.46 1xwy n ASN 30 Ca 0.01 -2.60 0.00 0.00 1.68 0.00 0.00 54.58 53.67 1xwy n ASN 30 Cb 0.44 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 1xwy n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xwy n GLY 31 N -0.42 1.52 3.03 7.41 0.00 -1.25 -4.82 105.19 110.65 1xwy n GLY 31 Ca 0.14 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1xwy n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwy s LEU 32 N 0.00 1.92 -0.31 0.99 1.43 -0.72 -1.70 118.68 120.29 1xwy s LEU 32 Ca 0.00 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1xwy s LEU 32 Cb 0.00 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.70 1xwy s LEU 32 CO 0.00 0.10 0.06 -0.22 0.23 0.00 0.00 176.35 176.52 1xwy s LEU 33 N -0.05 3.97 -0.27 1.79 2.96 -0.29 -1.33 118.68 125.47 1xwy s LEU 33 Ca 0.01 -1.03 -0.24 0.00 -0.22 0.00 0.00 54.13 52.65 1xwy s LEU 33 Cb -0.06 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 1xwy s LEU 33 CO 0.00 -0.26 0.80 -0.63 -1.32 0.00 0.00 176.35 174.95 1xwy s ILE 34 N 1.38 4.82 0.10 6.68 1.01 0.11 -1.81 121.20 133.50 1xwy s ILE 34 Ca -0.01 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 1xwy s ILE 34 Cb -0.19 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1xwy s ILE 34 CO 0.01 -0.14 1.18 -0.89 0.00 0.00 0.00 174.94 175.10 1xwy s THR 35 N 2.88 3.95 -0.10 2.92 2.01 -0.79 -1.80 115.64 124.72 1xwy s THR 35 Ca 0.33 1.48 -0.00 0.00 0.31 0.00 0.00 61.69 63.81 1xwy s THR 35 Cb -0.15 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1xwy s THR 35 CO 0.09 0.16 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.28 1xwy s GLY 36 N 0.71 1.68 0.00 4.40 0.00 -1.24 -4.82 107.32 108.05 1xwy s GLY 36 Ca 0.56 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 44.44 1xwy s GLY 36 CO 0.31 -0.45 0.41 -1.30 0.00 0.00 0.00 173.10 172.07 1xwy n THR 37 N 2.72 0.00 -3.79 0.90 -2.24 -1.26 -1.21 114.28 109.40 1xwy n THR 37 Ca -0.18 -0.47 -0.06 0.00 -2.27 0.00 0.00 64.05 61.07 1xwy n THR 37 Cb 0.53 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1xwy n THR 37 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xwy n ASN 38 N -0.34 -1.98 0.06 3.42 0.23 -0.99 -0.62 115.26 115.05 1xwy n ASN 38 Ca 0.01 -2.27 -0.12 0.00 -0.53 0.00 0.00 54.58 51.68 1xwy n ASN 38 Cb 0.07 3.27 -0.06 0.00 -2.08 0.00 0.00 39.78 40.98 1xwy n ASN 38 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1xwy h LEU 39 N 0.00 -0.18 -0.94 -4.53 5.85 -1.98 -0.07 115.31 113.46 1xwy h LEU 39 Ca -0.29 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 1xwy h LEU 39 Cb 1.15 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1xwy h LEU 39 CO 0.38 -0.10 -0.13 0.08 -0.34 0.00 0.00 178.44 178.33 1xwy h ARG 40 N -0.13 0.63 -0.24 1.25 0.11 -1.98 -1.50 114.38 112.52 1xwy h ARG 40 Ca 0.02 -0.20 -0.16 0.00 0.10 0.00 0.00 59.98 59.74 1xwy h ARG 40 Cb 0.15 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1xwy h ARG 40 CO -0.05 0.74 -0.50 0.93 0.10 0.00 0.00 179.97 181.20 1xwy h GLU 41 N 0.57 0.67 -0.49 0.08 4.39 -1.93 -1.83 114.58 116.04 1xwy h GLU 41 Ca 0.10 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.34 1xwy h GLU 41 Cb 0.56 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1xwy h GLU 41 CO 0.04 1.01 0.02 0.77 -1.16 0.00 0.00 179.01 179.68 1xwy h SER 42 N 0.52 0.77 -0.21 1.42 0.02 -0.65 0.22 113.55 115.64 1xwy h SER 42 Ca 0.02 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1xwy h SER 42 Cb 1.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1xwy h SER 42 CO 0.10 0.82 -0.02 1.56 -1.14 0.00 0.00 176.83 178.16 1xwy h GLN 43 N 0.75 0.38 -0.98 3.45 4.20 -1.12 -1.82 115.11 119.98 1xwy h GLN 43 Ca 0.15 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1xwy h GLN 43 Cb 0.43 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1xwy h GLN 43 CO 0.02 0.60 0.62 1.96 -0.67 0.00 0.00 178.83 181.35 1xwy h GLN 44 N 0.13 1.31 -0.65 1.46 1.08 -1.08 -1.94 115.11 115.42 1xwy h GLN 44 Ca 0.06 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1xwy h GLN 44 Cb 0.43 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1xwy h GLN 44 CO 0.01 0.89 0.33 0.00 -0.95 0.00 0.00 178.83 179.12 1xwy h ALA 45 N 1.35 0.84 -0.62 3.87 0.00 -0.33 -1.53 119.26 122.83 1xwy h ALA 45 Ca 0.35 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1xwy h ALA 45 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1xwy h ALA 45 CO -0.07 0.37 0.05 0.37 0.00 0.00 0.00 179.25 179.98 1xwy h GLN 46 N 0.89 1.04 -0.48 0.00 -0.00 -0.97 -0.76 115.11 114.82 1xwy h GLN 46 Ca 0.23 -0.29 -0.09 0.00 -0.00 0.00 0.00 58.65 58.49 1xwy h GLN 46 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 1xwy h GLN 46 CO -0.03 0.98 -0.06 0.87 0.00 0.00 0.00 178.83 180.59 1xwy h LYS 47 N 0.96 0.85 -0.25 1.69 1.57 -1.06 -1.43 116.57 118.90 1xwy h LYS 47 Ca 0.18 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1xwy h LYS 47 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1xwy h LYS 47 CO 0.02 0.89 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.39 1xwy h LEU 48 N 0.78 0.56 -0.94 2.94 3.38 -0.97 -1.27 115.31 119.79 1xwy h LEU 48 Ca 0.14 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1xwy h LEU 48 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xwy h LEU 48 CO 0.03 0.85 -0.32 0.00 0.09 0.00 0.00 178.44 179.09 1xwy h ALA 49 N 1.18 1.10 0.00 1.53 0.00 -0.80 -1.98 119.26 120.29 1xwy h ALA 49 Ca 0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1xwy h ALA 49 Cb 0.80 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1xwy h ALA 49 CO 0.07 0.57 -0.52 -0.09 0.00 0.00 0.00 179.25 179.27 1xwy h ARG 50 N 0.33 0.00 -0.02 0.00 2.43 -0.99 -3.28 114.38 112.85 1xwy h ARG 50 Ca 0.04 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.99 1xwy h ARG 50 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1xwy h ARG 50 CO 0.06 0.52 -0.91 0.37 -1.51 0.00 0.00 179.97 178.50 1xwy h GLN 51 N 0.00 0.46 -6.34 0.20 4.15 -0.76 -3.46 115.11 109.37 1xwy h GLN 51 Ca -0.01 -0.46 -0.65 0.00 0.77 0.00 0.00 58.65 58.30 1xwy h GLN 51 Cb 1.29 0.12 -0.12 0.00 0.21 0.00 0.00 27.48 28.98 1xwy h GLN 51 CO 0.07 1.11 -0.66 0.71 -1.93 0.00 0.00 178.83 178.13 1xwy s TYR 52 N -3.36 2.99 0.69 3.99 2.02 -0.79 -5.10 117.35 117.79 1xwy s TYR 52 Ca -0.06 -0.02 -0.13 0.00 -0.37 0.00 0.00 57.07 56.48 1xwy s TYR 52 Cb 0.09 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.12 1xwy s TYR 52 CO 0.87 0.48 1.10 -1.54 -1.57 0.00 0.00 175.55 174.88 1xwy s SER 53 N -2.23 4.97 -1.52 2.29 1.04 -1.26 -3.93 113.70 113.05 1xwy s SER 53 Ca 0.25 1.91 -0.14 0.00 0.48 0.00 0.00 55.95 58.45 1xwy s SER 53 Cb -0.12 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.55 1xwy s SER 53 CO 0.17 -1.72 1.00 -1.20 0.98 0.00 0.00 173.24 172.47 1xwy n SER 54 N -2.79 -4.98 -4.01 7.02 7.64 -1.26 -4.95 113.62 110.28 1xwy n SER 54 Ca 0.10 -0.75 -0.18 0.00 1.01 0.00 0.00 58.87 59.04 1xwy n SER 54 Cb 0.52 -3.97 -0.15 0.00 -1.01 0.00 0.00 64.21 59.61 1xwy n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwy s TRP 56 N -0.17 1.55 0.21 0.00 0.51 -0.44 -4.75 118.94 115.85 1xwy s TRP 56 Ca 0.03 -1.24 -0.04 0.00 -2.12 0.00 0.00 56.10 52.73 1xwy s TRP 56 Cb -0.04 -0.88 -0.03 0.00 -0.81 0.00 0.00 33.47 31.71 1xwy s TRP 56 CO -0.00 -0.39 0.22 -1.54 -0.51 0.00 0.00 176.95 174.73 1xwy s SER 57 N -3.33 0.11 0.27 2.95 1.04 -0.12 0.10 113.70 114.72 1xwy s SER 57 Ca 0.37 -1.28 0.09 0.00 0.48 0.00 0.00 55.95 55.61 1xwy s SER 57 Cb 0.07 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1xwy s SER 57 CO 0.15 -0.92 0.01 0.42 0.98 0.00 0.00 173.24 173.87 1xwy s THR 58 N -4.11 3.49 -0.05 2.02 -4.23 -0.74 -1.65 115.64 110.37 1xwy s THR 58 Ca 0.35 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1xwy s THR 58 Cb 0.05 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 71.04 1xwy s THR 58 CO 0.11 -0.37 0.03 0.00 -0.54 0.00 0.00 174.62 173.86 1xwy s ALA 59 N -2.32 0.40 0.00 3.99 0.00 -0.74 -3.71 121.76 119.38 1xwy s ALA 59 Ca 0.32 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1xwy s ALA 59 Cb -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1xwy s ALA 59 CO 0.20 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1xwy n GLY 60 N 5.07 -1.26 2.83 0.00 0.00 -0.70 -0.97 105.19 110.16 1xwy n GLY 60 Ca -0.08 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1xwy n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwy s VAL 61 N -2.95 0.71 0.62 1.61 1.01 -1.23 -2.35 120.40 117.82 1xwy s VAL 61 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1xwy s VAL 61 Cb 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1xwy s VAL 61 CO 0.00 0.27 1.19 -2.28 0.00 0.00 0.00 175.10 174.28 1xwy s HIS 62 N 1.83 2.37 0.54 5.22 2.46 0.21 -4.37 115.29 123.56 1xwy s HIS 62 Ca 0.04 1.54 0.22 0.00 0.47 0.00 0.00 55.06 57.33 1xwy s HIS 62 Cb -0.13 -3.43 1.40 0.00 -0.13 0.00 0.00 32.58 30.29 1xwy s HIS 62 CO -0.07 -2.18 2.08 -1.00 -2.47 0.00 0.00 174.74 171.10 1xwy h PRO 63 N 0.59 0.00 -0.75 2.88 0.13 -1.82 -1.60 132.00 131.43 1xwy h PRO 63 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1xwy h PRO 63 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1xwy h PRO 63 CO 0.54 0.00 0.49 0.45 -0.23 0.00 0.00 178.00 179.25 1xwy h HIS 64 N 0.00 0.91 -0.62 1.56 3.86 -1.93 -2.47 115.15 116.46 1xwy h HIS 64 Ca 0.12 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1xwy h HIS 64 Cb 0.51 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1xwy h HIS 64 CO 0.00 0.55 0.00 -0.25 0.86 0.00 0.00 177.93 179.09 1xwy n ASP 65 N -4.44 3.76 0.24 2.45 8.00 -0.66 -4.08 116.55 121.82 1xwy n ASP 65 Ca 0.09 -2.05 0.17 0.00 0.71 0.00 0.00 54.79 53.71 1xwy n ASP 65 Cb 0.08 -0.43 0.87 0.00 -0.02 0.00 0.00 41.12 41.62 1xwy n ASP 65 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1xwy h SER 66 N 3.66 0.00 0.52 -2.24 4.64 -0.89 -0.35 113.55 118.89 1xwy h SER 66 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xwy h SER 66 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xwy h SER 66 CO 0.02 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.75 1xwy h SER 67 N 0.00 0.00 0.09 4.97 4.64 -1.81 -1.64 113.55 119.80 1xwy h SER 67 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xwy h SER 67 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1xwy h SER 67 CO 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.89 1xwy n GLN 68 N -3.01 1.30 -2.02 4.77 1.13 -0.14 -4.90 117.38 114.52 1xwy n GLN 68 Ca -0.01 -0.68 -0.42 0.00 -1.94 0.00 0.00 57.00 53.94 1xwy n GLN 68 Cb 0.19 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 1xwy n GLN 68 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1xwy s TRP 69 N -2.17 2.08 0.29 1.08 -0.11 -0.62 -4.90 118.94 114.59 1xwy s TRP 69 Ca 0.35 0.25 0.03 0.00 1.22 0.00 0.00 56.10 57.95 1xwy s TRP 69 Cb 0.21 -3.90 -0.04 0.00 -1.50 0.00 0.00 33.47 28.24 1xwy s TRP 69 CO 0.40 -3.74 0.19 -0.65 -4.62 0.00 0.00 176.95 168.52 1xwy s GLN 70 N 3.80 1.55 0.25 5.86 -0.21 -1.26 -5.01 119.66 124.63 1xwy s GLN 70 Ca 0.73 -1.88 -0.05 0.00 0.02 0.00 0.00 55.36 54.17 1xwy s GLN 70 Cb -0.34 0.11 0.27 0.00 1.00 0.00 0.00 33.01 34.05 1xwy s GLN 70 CO 0.29 -0.50 1.86 0.00 -2.12 0.00 0.00 175.29 174.82 1xwy h ALA 71 N 2.28 1.19 0.00 6.09 0.00 -2.01 -1.61 119.26 125.21 1xwy h ALA 71 Ca -0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1xwy h ALA 71 Cb 1.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xwy h ALA 71 CO 0.48 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 180.16 1xwy h ALA 72 N 1.30 1.45 -0.36 0.00 0.00 -1.98 -2.12 119.26 117.55 1xwy h ALA 72 Ca 0.29 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xwy h ALA 72 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xwy h ALA 72 CO -0.04 0.25 -0.08 1.15 0.00 0.00 0.00 179.25 180.53 1xwy h THR 73 N 0.00 1.28 -0.45 0.00 2.02 -1.65 -2.38 112.91 111.72 1xwy h THR 73 Ca -0.00 -1.14 0.06 0.00 0.77 0.00 0.00 66.41 66.10 1xwy h THR 73 Cb 0.41 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 1xwy h THR 73 CO 0.03 0.38 0.15 -0.08 0.37 0.00 0.00 175.52 176.37 1xwy h GLU 74 N 0.49 0.31 -0.41 6.66 4.81 -1.07 -1.01 114.58 124.37 1xwy h GLU 74 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1xwy h GLU 74 Cb 0.58 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1xwy h GLU 74 CO 0.03 0.21 0.21 0.93 -0.73 0.00 0.00 179.01 179.66 1xwy h GLU 75 N 0.32 0.59 -0.79 1.92 5.08 -1.41 -2.05 114.58 118.24 1xwy h GLU 75 Ca 0.21 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xwy h GLU 75 Cb 0.21 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1xwy h GLU 75 CO -0.22 0.50 0.48 0.00 -1.00 0.00 0.00 179.01 178.78 1xwy h ALA 76 N 1.05 1.36 -0.40 3.43 0.00 -0.91 -1.28 119.26 122.51 1xwy h ALA 76 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1xwy h ALA 76 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xwy h ALA 76 CO -0.02 0.56 -0.30 0.82 0.00 0.00 0.00 179.25 180.31 1xwy h ILE 77 N 1.09 1.28 -0.24 0.00 2.04 -0.98 -1.18 117.51 119.52 1xwy h ILE 77 Ca 0.29 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1xwy h ILE 77 Cb -0.05 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1xwy h ILE 77 CO -0.05 0.49 0.13 0.40 0.00 0.00 0.00 178.15 179.11 1xwy h ILE 78 N 0.72 1.12 -0.57 -0.67 2.04 -1.03 -0.15 117.51 118.96 1xwy h ILE 78 Ca 0.08 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1xwy h ILE 78 Cb 0.88 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1xwy h ILE 78 CO 0.08 0.11 0.35 -0.08 0.00 0.00 0.00 178.15 178.61 1xwy h GLU 79 N 0.27 0.67 -0.76 2.37 4.81 -1.17 -2.58 114.58 118.19 1xwy h GLU 79 Ca 0.08 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1xwy h GLU 79 Cb 0.07 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1xwy h GLU 79 CO -0.01 0.44 0.33 -0.07 -0.73 0.00 0.00 179.01 178.97 1xwy h LEU 80 N 0.69 1.01 -2.26 1.64 3.38 -0.78 -2.85 115.31 116.14 1xwy h LEU 80 Ca 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xwy h LEU 80 Cb 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1xwy h LEU 80 CO -0.10 0.88 -0.02 0.00 0.09 0.00 0.00 178.44 179.28 1xwy h ALA 81 N 1.27 1.07 0.00 1.53 0.00 -0.62 -1.84 119.26 120.67 1xwy h ALA 81 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xwy h ALA 81 Cb 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xwy h ALA 81 CO -0.03 0.03 -0.12 0.00 0.00 0.00 0.00 179.25 179.14 1xwy h ALA 82 N 1.98 0.98 -2.91 0.00 0.00 -1.36 -3.44 119.26 114.49 1xwy h ALA 82 Ca -0.00 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.27 1xwy h ALA 82 Cb 0.23 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.09 1xwy h ALA 82 CO 0.00 0.15 0.70 -0.65 0.00 0.00 0.00 179.25 179.45 1xwy s GLN 83 N -3.50 4.19 0.31 0.00 -1.52 -0.69 -4.91 119.66 113.54 1xwy s GLN 83 Ca 0.03 2.38 0.03 0.00 -1.95 0.00 0.00 55.36 55.84 1xwy s GLN 83 Cb 0.08 -2.98 0.61 0.00 -0.22 0.00 0.00 33.01 30.50 1xwy s GLN 83 CO 0.62 -0.39 1.87 -1.35 -0.25 0.00 0.00 175.29 175.78 1xwy h PRO 84 N 3.11 0.90 -0.09 2.91 0.11 -1.88 -2.39 132.00 134.67 1xwy h PRO 84 Ca -0.50 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 1xwy h PRO 84 Cb 1.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1xwy h PRO 84 CO 0.64 0.60 -0.18 0.93 -0.21 0.00 0.00 178.00 179.79 1xwy h GLU 85 N 0.93 0.15 -6.00 1.05 3.07 -1.91 -3.41 114.58 108.45 1xwy h GLU 85 Ca 0.46 -0.04 -0.61 0.00 -0.50 0.00 0.00 59.36 58.67 1xwy h GLU 85 Cb 0.46 -0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 28.24 1xwy h GLU 85 CO -0.22 0.33 0.49 0.08 -1.40 0.00 0.00 179.01 178.29 1xwy s VAL 86 N -4.63 4.56 -0.88 3.13 1.01 -0.90 -0.94 120.40 121.74 1xwy s VAL 86 Ca -0.05 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.70 1xwy s VAL 86 Cb 0.15 -4.37 0.07 0.00 0.00 0.00 0.00 36.38 32.24 1xwy s VAL 86 CO 0.72 -0.74 0.78 1.33 0.00 0.00 0.00 175.10 177.19 1xwy n VAL 87 N 6.25 0.11 -3.67 2.92 0.24 -0.66 -4.78 118.33 118.75 1xwy n VAL 87 Ca 0.05 -0.56 -0.15 0.00 -2.04 0.00 0.00 64.34 61.64 1xwy n VAL 87 Cb 0.48 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.86 1xwy n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xwy s ALA 88 N -0.66 -1.14 -0.19 2.33 0.00 -1.25 -4.41 121.76 116.44 1xwy s ALA 88 Ca 0.09 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 1xwy s ALA 88 Cb 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1xwy s ALA 88 CO 0.09 -0.30 0.32 0.42 0.00 0.00 0.00 175.76 176.30 1xwy s ILE 89 N -1.24 5.26 -4.76 0.00 -1.09 -0.59 -1.80 121.20 116.98 1xwy s ILE 89 Ca -0.12 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1xwy s ILE 89 Cb -0.03 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1xwy s ILE 89 CO 0.06 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1xwy n GLY 90 N 3.80 0.98 3.71 6.18 0.00 -0.14 -0.63 105.19 119.09 1xwy n GLY 90 Ca -0.11 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1xwy n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xwy s GLU 91 N -1.67 4.19 0.20 1.61 2.12 -0.35 -1.72 118.70 123.07 1xwy s GLU 91 Ca 0.00 2.43 -0.00 0.00 0.36 0.00 0.00 54.97 57.76 1xwy s GLU 91 Cb 0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1xwy s GLU 91 CO 0.00 -0.68 0.09 0.00 -0.54 0.00 0.00 175.26 174.13 1xwy n GLY 93 N -0.28 0.14 2.95 0.00 0.00 -1.26 -0.29 105.19 106.46 1xwy n GLY 93 Ca -0.01 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1xwy n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwy s LEU 94 N 0.00 2.14 -0.29 0.99 1.43 -0.77 -4.44 118.68 117.74 1xwy s LEU 94 Ca 0.00 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1xwy s LEU 94 Cb 0.00 -0.02 0.12 0.00 0.03 0.00 0.00 46.19 46.32 1xwy s LEU 94 CO 0.00 -0.14 0.20 -0.62 0.23 0.00 0.00 176.35 176.02 1xwy s ASP 95 N -0.84 2.70 -0.14 2.29 -1.08 -1.26 -1.53 116.67 116.81 1xwy s ASP 95 Ca -0.08 -1.07 0.15 0.00 -0.52 0.00 0.00 52.55 51.03 1xwy s ASP 95 Cb -0.06 0.03 0.66 0.00 -1.46 0.00 0.00 42.92 42.09 1xwy s ASP 95 CO -0.00 -0.42 1.54 0.49 0.52 0.00 0.00 175.17 177.30 1xwy n PHE 96 N 5.26 1.48 -0.12 -5.34 3.72 -0.56 -3.03 117.46 118.87 1xwy n PHE 96 Ca -0.04 -0.56 -0.21 0.00 -0.05 0.00 0.00 57.45 56.59 1xwy n PHE 96 Cb 0.44 -0.30 -0.07 0.00 -0.94 0.00 0.00 39.48 38.61 1xwy n PHE 96 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1xwy n ASN 97 N 0.82 1.95 0.04 4.37 2.85 -1.25 -4.65 115.26 119.39 1xwy n ASN 97 Ca 0.23 0.34 -0.20 0.00 -0.11 0.00 0.00 54.58 54.84 1xwy n ASN 97 Cb 0.89 -0.79 -0.11 0.00 1.24 0.00 0.00 39.78 41.00 1xwy n ASN 97 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1xwy h ARG 98 N -1.00 0.58 -6.45 1.20 2.47 -1.92 -3.48 114.38 105.78 1xwy h ARG 98 Ca -0.41 -0.66 -0.49 0.00 -1.26 0.00 0.00 59.98 57.16 1xwy h ARG 98 Cb 1.35 0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 29.80 1xwy h ARG 98 CO -0.25 1.27 -0.85 0.09 0.56 0.00 0.00 179.97 180.79 1xwy n ASN 99 N -3.97 -1.65 0.18 7.04 3.02 -1.17 -4.85 115.26 113.86 1xwy n ASN 99 Ca -0.11 -0.94 0.14 0.00 -0.03 0.00 0.00 54.58 53.63 1xwy n ASN 99 Cb 0.83 -3.28 0.54 0.00 -0.61 0.00 0.00 39.78 37.26 1xwy n ASN 99 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1xwy h PHE 100 N -1.82 0.00 -3.84 3.10 0.04 -1.84 -3.41 116.94 109.17 1xwy h PHE 100 Ca -0.61 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 59.86 1xwy h PHE 100 Cb 1.37 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.34 1xwy h PHE 100 CO 0.52 0.00 -0.73 -1.12 -0.60 0.00 0.00 178.31 176.38 1xwy s SER 101 N -4.85 1.25 0.66 2.17 0.01 -1.26 -4.94 113.70 106.74 1xwy s SER 101 Ca 0.04 -0.74 -0.13 0.00 1.31 0.00 0.00 55.95 56.43 1xwy s SER 101 Cb 0.09 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.34 1xwy s SER 101 CO 0.47 -0.25 1.07 0.42 0.41 0.00 0.00 173.24 175.36 1xwy s THR 102 N -2.14 3.66 0.38 1.44 -4.23 -1.26 -4.78 115.64 108.71 1xwy s THR 102 Ca 0.01 0.68 0.12 0.00 -1.18 0.00 0.00 61.69 61.31 1xwy s THR 102 Cb -0.05 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.89 1xwy s THR 102 CO -0.00 -0.57 1.86 -0.65 -0.54 0.00 0.00 174.62 174.72 1xwy h PRO 103 N -0.20 0.56 -0.48 3.99 0.11 -1.95 0.25 132.00 134.29 1xwy h PRO 103 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1xwy h PRO 103 Cb 1.22 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1xwy h PRO 103 CO 0.55 0.37 0.06 1.49 -0.21 0.00 0.00 178.00 180.26 1xwy h GLU 104 N 0.58 0.80 -0.54 1.05 4.81 -2.00 -0.18 114.58 119.11 1xwy h GLU 104 Ca 0.45 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1xwy h GLU 104 Cb 0.88 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1xwy h GLU 104 CO -0.20 0.82 -0.11 0.93 -0.73 0.00 0.00 179.01 179.72 1xwy h GLU 105 N 0.67 1.02 -0.24 1.92 5.08 -1.31 -2.81 114.58 118.91 1xwy h GLU 105 Ca 0.14 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1xwy h GLU 105 Cb 0.42 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1xwy h GLU 105 CO 0.01 1.06 0.10 1.96 -1.00 0.00 0.00 179.01 181.15 1xwy h GLN 106 N 0.91 0.36 -0.79 2.33 4.20 -0.28 -2.62 115.11 119.21 1xwy h GLN 106 Ca 0.14 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1xwy h GLN 106 Cb 0.68 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1xwy h GLN 106 CO 0.05 0.39 0.37 0.93 -0.67 0.00 0.00 178.83 179.90 1xwy h GLU 107 N 0.25 1.16 0.17 1.46 5.08 -1.03 -0.90 114.58 120.76 1xwy h GLU 107 Ca 0.08 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xwy h GLU 107 Cb 0.16 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xwy h GLU 107 CO -0.01 0.90 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.72 1xwy h ARG 108 N 1.13 -0.25 -0.65 2.33 2.43 -1.40 -1.02 114.38 116.94 1xwy h ARG 108 Ca 0.27 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1xwy h ARG 108 Cb 0.14 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1xwy h ARG 108 CO -0.03 -0.17 0.31 0.00 -1.51 0.00 0.00 179.97 178.57 1xwy h ALA 109 N 0.56 0.84 -0.10 2.80 0.00 -1.27 -1.59 119.26 120.51 1xwy h ALA 109 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xwy h ALA 109 Cb 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xwy h ALA 109 CO 0.02 0.41 0.03 0.35 0.00 0.00 0.00 179.25 180.06 1xwy h PHE 110 N 0.90 0.17 -0.80 0.00 3.57 -1.04 -1.96 116.94 117.79 1xwy h PHE 110 Ca 0.22 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1xwy h PHE 110 Cb 0.13 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1xwy h PHE 110 CO 0.00 0.32 0.31 0.28 -2.23 0.00 0.00 178.31 176.99 1xwy h VAL 111 N -0.03 1.26 -0.45 1.41 2.07 -1.18 -1.25 116.25 118.08 1xwy h VAL 111 Ca 0.03 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1xwy h VAL 111 Cb 0.23 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1xwy h VAL 111 CO -0.00 0.34 0.20 0.00 0.02 0.00 0.00 177.57 178.13 1xwy h ALA 112 N 1.17 1.51 -0.01 1.67 0.00 -1.14 -1.10 119.26 121.35 1xwy h ALA 112 Ca 0.26 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1xwy h ALA 112 Cb 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xwy h ALA 112 CO -0.02 0.39 -0.96 1.96 0.00 0.00 0.00 179.25 180.61 1xwy h GLN 113 N 0.63 0.51 -0.79 0.00 4.20 -0.76 -1.61 115.11 117.29 1xwy h GLN 113 Ca 0.16 -0.54 0.03 0.00 0.06 0.00 0.00 58.65 58.36 1xwy h GLN 113 Cb 0.10 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 1xwy h GLN 113 CO -0.02 1.17 0.50 -0.07 -0.67 0.00 0.00 178.83 179.75 1xwy h LEU 114 N 0.29 0.83 -0.54 1.46 4.07 -0.81 -0.76 115.31 119.85 1xwy h LEU 114 Ca -0.09 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1xwy h LEU 114 Cb 1.60 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 43.14 1xwy h LEU 114 CO 0.17 0.57 0.24 -0.09 -1.08 0.00 0.00 178.44 178.25 1xwy h ARG 115 N 0.98 0.79 -0.37 1.13 2.43 -1.10 -0.64 114.38 117.60 1xwy h ARG 115 Ca 0.32 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1xwy h ARG 115 Cb 0.03 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1xwy h ARG 115 CO -0.12 0.67 0.20 0.82 -1.51 0.00 0.00 179.97 180.03 1xwy h ILE 116 N 0.73 1.15 -0.49 1.20 1.08 -0.85 -1.48 117.51 118.84 1xwy h ILE 116 Ca 0.18 -0.38 -0.05 0.00 -0.39 0.00 0.00 64.86 64.22 1xwy h ILE 116 Cb 0.15 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1xwy h ILE 116 CO -0.02 0.15 0.09 0.00 -0.69 0.00 0.00 178.15 177.68 1xwy h ALA 117 N 1.06 1.23 -0.18 1.87 0.00 -0.82 -0.68 119.26 121.74 1xwy h ALA 117 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xwy h ALA 117 Cb 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xwy h ALA 117 CO -0.02 0.52 -0.13 0.00 0.00 0.00 0.00 179.25 179.62 1xwy h ALA 118 N 1.36 0.25 -0.86 0.00 0.00 -0.97 0.29 119.26 119.34 1xwy h ALA 118 Ca 0.16 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xwy h ALA 118 Cb 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1xwy h ALA 118 CO 0.00 0.12 0.55 -0.44 0.00 0.00 0.00 179.25 179.48 1xwy h ASP 119 N 0.06 0.89 0.23 0.00 3.32 -0.94 -2.49 116.42 117.50 1xwy h ASP 119 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xwy h ASP 119 Cb 0.65 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xwy h ASP 119 CO 0.04 0.60 -0.29 0.18 -1.72 0.00 0.00 179.24 178.05 1xwy n LEU 120 N -4.57 1.05 -3.44 1.55 4.77 -0.29 -4.97 117.00 111.10 1xwy n LEU 120 Ca 0.11 -0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 1xwy n LEU 120 Cb 0.12 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1xwy n LEU 120 CO 0.33 0.20 0.06 -3.20 -1.33 0.00 0.00 177.39 173.44 1xwy n ASN 121 N -0.66 -3.10 -4.32 -1.43 4.05 0.81 -5.02 115.26 105.59 1xwy n ASN 121 Ca 0.12 -0.69 -0.23 0.00 0.45 0.00 0.00 54.58 54.23 1xwy n ASN 121 Cb 0.35 -4.92 -0.12 0.00 1.23 0.00 0.00 39.78 36.32 1xwy n ASN 121 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1xwy s MET 122 N -5.25 1.22 0.68 1.20 -1.94 0.06 -4.79 119.30 110.48 1xwy s MET 122 Ca 0.12 -1.32 -0.11 0.00 -1.71 0.00 0.00 55.69 52.67 1xwy s MET 122 Cb -0.02 -1.35 -0.00 0.00 2.01 0.00 0.00 34.83 35.46 1xwy s MET 122 CO 0.75 0.29 1.06 -1.25 -0.01 0.00 0.00 175.02 175.85 1xwy s PRO 123 N -2.49 3.08 -0.01 2.03 0.04 -1.26 -4.38 135.00 132.01 1xwy s PRO 123 Ca 0.12 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.02 1xwy s PRO 123 Cb -0.07 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1xwy s PRO 123 CO 0.06 -0.97 -0.06 0.14 0.04 0.00 0.00 177.00 176.21 1xwy s VAL 124 N -3.12 3.69 -0.31 -0.36 -7.23 -0.93 -1.54 120.40 110.60 1xwy s VAL 124 Ca 0.57 -0.72 -0.06 0.00 -1.81 0.00 0.00 61.98 59.96 1xwy s VAL 124 Cb -0.13 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.24 1xwy s VAL 124 CO 0.54 0.42 0.07 0.12 -0.31 0.00 0.00 175.10 175.95 1xwy s PHE 125 N -0.98 3.19 0.25 2.82 5.36 0.20 -1.43 117.98 127.40 1xwy s PHE 125 Ca 0.17 -1.28 0.11 0.00 -0.96 0.00 0.00 56.93 54.97 1xwy s PHE 125 Cb -0.11 -2.24 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1xwy s PHE 125 CO 0.07 -0.67 -0.16 -1.64 -1.46 0.00 0.00 175.22 171.36 1xwy s MET 126 N 1.43 1.81 -0.04 10.12 -1.94 -0.13 -1.57 119.30 128.98 1xwy s MET 126 Ca 0.00 -1.60 0.04 0.00 -1.71 0.00 0.00 55.69 52.42 1xwy s MET 126 Cb -0.18 -1.90 -0.00 0.00 2.01 0.00 0.00 34.83 34.75 1xwy s MET 126 CO 0.02 0.36 -0.15 -1.58 -0.01 0.00 0.00 175.02 173.65 1xwy s HIS 127 N -2.23 1.52 -0.08 -0.03 2.46 0.60 -2.38 115.29 115.15 1xwy s HIS 127 Ca 0.28 -0.41 -0.03 0.00 0.47 0.00 0.00 55.06 55.37 1xwy s HIS 127 Cb -0.06 -1.03 0.04 0.00 -0.13 0.00 0.00 32.58 31.40 1xwy s HIS 127 CO 0.15 -0.13 0.16 0.00 -2.47 0.00 0.00 174.74 172.45 1xwy s ARG 129 N 1.60 0.11 -1.44 0.00 3.52 -0.58 -4.86 118.95 117.31 1xwy s ARG 129 Ca -0.05 0.22 -0.10 0.00 -0.13 0.00 0.00 55.73 55.68 1xwy s ARG 129 Cb -0.12 -0.87 0.06 0.00 -1.56 0.00 0.00 34.95 32.47 1xwy s ARG 129 CO -0.06 -0.39 0.71 -0.25 -0.81 0.00 0.00 175.30 174.50 1xwy n ASP 130 N 5.25 -4.77 -0.36 -2.12 8.00 -1.26 -1.50 116.55 119.80 1xwy n ASP 130 Ca -0.05 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1xwy n ASP 130 Cb 0.50 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1xwy n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xwy n ALA 131 N -3.98 1.73 -0.23 2.24 0.00 -1.26 -4.40 120.51 114.60 1xwy n ALA 131 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 1xwy n ALA 131 Cb 0.55 -0.26 0.05 0.00 0.00 0.00 0.00 19.45 19.79 1xwy n ALA 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xwy h HIS 132 N 0.00 -0.64 0.37 0.00 6.17 -1.94 0.29 115.15 119.39 1xwy h HIS 132 Ca 0.00 0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.14 1xwy h HIS 132 Cb 1.21 0.38 -0.02 0.00 2.52 0.00 0.00 27.41 31.51 1xwy h HIS 132 CO -0.01 -0.35 -0.33 1.49 0.71 0.00 0.00 177.93 179.44 1xwy h GLU 133 N -0.07 -0.69 -0.67 5.26 4.57 -1.99 0.40 114.58 121.37 1xwy h GLU 133 Ca 0.29 0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.44 1xwy h GLU 133 Cb 0.54 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1xwy h GLU 133 CO -0.72 -0.46 0.11 -0.09 -1.18 0.00 0.00 179.01 176.67 1xwy h ARG 134 N -0.72 1.12 -0.10 1.92 9.65 -1.89 -2.14 114.38 122.23 1xwy h ARG 134 Ca -0.03 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 58.59 1xwy h ARG 134 Cb 0.64 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.04 1xwy h ARG 134 CO -0.04 1.02 -0.19 0.35 2.80 0.00 0.00 179.97 183.91 1xwy h PHE 135 N 1.04 -0.51 -0.29 2.20 3.57 -0.22 -1.61 116.94 121.12 1xwy h PHE 135 Ca 0.20 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 1xwy h PHE 135 Cb 0.44 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1xwy h PHE 135 CO 0.03 -0.27 -0.20 0.52 -2.23 0.00 0.00 178.31 176.16 1xwy h MET 136 N -0.26 0.54 -0.76 1.11 2.86 -0.81 -0.62 114.93 116.99 1xwy h MET 136 Ca 0.09 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1xwy h MET 136 Cb 0.39 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1xwy h MET 136 CO -0.25 0.71 0.36 1.15 1.06 0.00 0.00 176.91 179.94 1xwy h THR 137 N 0.48 1.24 0.00 2.22 2.02 -1.01 0.75 112.91 118.62 1xwy h THR 137 Ca 0.08 -0.69 -0.21 0.00 0.77 0.00 0.00 66.41 66.37 1xwy h THR 137 Cb 0.61 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1xwy h THR 137 CO 0.04 0.29 -1.10 -0.07 0.37 0.00 0.00 175.52 175.06 1xwy h LEU 138 N 1.08 0.00 0.14 2.58 3.38 -0.97 -3.38 115.31 118.14 1xwy h LEU 138 Ca 0.26 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.01 1xwy h LEU 138 Cb 0.12 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.88 1xwy h LEU 138 CO -0.03 0.89 -1.02 0.25 0.09 0.00 0.00 178.44 178.61 1xwy h LEU 139 N 0.00 0.46 -0.88 1.67 6.46 -0.93 -3.41 115.31 118.69 1xwy h LEU 139 Ca -0.08 -0.92 0.14 0.00 -0.12 0.00 0.00 57.88 56.90 1xwy h LEU 139 Cb 1.74 -0.15 -0.15 0.00 -0.73 0.00 0.00 40.66 41.38 1xwy h LEU 139 CO 0.10 1.48 -0.37 -0.08 -0.62 0.00 0.00 178.44 178.94 1xwy h GLU 140 N -0.33 -0.05 0.00 1.25 4.22 -1.02 0.45 114.58 119.10 1xwy h GLU 140 Ca -0.20 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.25 1xwy h GLU 140 Cb 1.70 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1xwy h GLU 140 CO 0.13 -0.03 0.00 -0.35 -2.18 0.00 0.00 179.01 176.58 1xwy n PRO 141 N -5.46 0.19 0.01 0.92 -0.04 -1.26 -2.65 135.00 126.70 1xwy n PRO 141 Ca 0.08 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 1xwy n PRO 141 Cb 0.39 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 1xwy n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xwy n TRP 142 N -1.28 0.13 0.15 0.54 7.02 0.14 -4.52 117.44 119.62 1xwy n TRP 142 Ca 0.06 0.04 0.06 0.00 -1.02 0.00 0.00 57.50 56.64 1xwy n TRP 142 Cb 0.10 -0.38 0.53 0.00 -2.42 0.00 0.00 31.31 29.14 1xwy n TRP 142 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1xwy h LEU 143 N 0.00 0.19 -0.17 -0.99 3.38 -1.45 -1.58 115.31 114.69 1xwy h LEU 143 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xwy h LEU 143 Cb 0.80 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xwy h LEU 143 CO 0.00 0.18 0.00 -0.90 0.09 0.00 0.00 178.44 177.81 1xwy n ASP 144 N -4.47 0.42 -0.74 -0.43 5.75 -1.26 -2.84 116.55 112.98 1xwy n ASP 144 Ca -0.01 0.56 0.08 0.00 -0.01 0.00 0.00 54.79 55.42 1xwy n ASP 144 Cb 0.11 -0.67 0.13 0.00 -1.03 0.00 0.00 41.12 39.67 1xwy n ASP 144 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1xwy n LYS 145 N -1.92 1.93 -4.40 0.11 2.85 -0.62 -4.97 118.16 111.15 1xwy n LYS 145 Ca 0.05 -1.81 -0.31 0.00 -1.05 0.00 0.00 58.31 55.18 1xwy n LYS 145 Cb 0.31 -1.33 -0.11 0.00 -0.65 0.00 0.00 35.03 33.25 1xwy n LYS 145 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xwy s LEU 146 N -1.14 2.99 0.43 -5.58 1.43 -1.07 -4.65 118.68 111.09 1xwy s LEU 146 Ca 0.25 -0.32 0.20 0.00 -1.03 0.00 0.00 54.13 53.22 1xwy s LEU 146 Cb 0.15 -1.76 0.99 0.00 0.03 0.00 0.00 46.19 45.60 1xwy s LEU 146 CO 0.20 0.23 1.90 -0.65 0.23 0.00 0.00 176.35 178.27 1xwy h PRO 147 N 4.12 0.00 0.00 1.29 0.11 -1.86 -3.48 132.00 132.18 1xwy h PRO 147 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xwy h PRO 147 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xwy h PRO 147 CO 0.52 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 1xwy n GLY 148 N -0.41 0.03 3.42 -0.55 0.00 -1.26 -4.97 105.19 101.45 1xwy n GLY 148 Ca -0.01 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1xwy n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwy s ALA 149 N -2.00 -1.30 0.00 4.61 0.00 -1.26 -2.19 121.76 119.62 1xwy s ALA 149 Ca 0.00 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.53 1xwy s ALA 149 Cb 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1xwy s ALA 149 CO 0.00 -0.25 -0.19 0.54 0.00 0.00 0.00 175.76 175.86 1xwy s VAL 150 N 0.36 1.50 -0.42 0.00 0.11 -0.51 -1.18 120.40 120.26 1xwy s VAL 150 Ca -0.01 -0.90 -0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1xwy s VAL 150 Cb -0.04 -1.26 0.09 0.00 -1.53 0.00 0.00 36.38 33.64 1xwy s VAL 150 CO -0.00 0.35 0.25 -0.22 -3.33 0.00 0.00 175.10 172.15 1xwy s LEU 151 N -0.64 5.24 0.70 2.54 0.20 -0.36 -0.96 118.68 125.40 1xwy s LEU 151 Ca 0.07 -1.71 -0.07 0.00 0.69 0.00 0.00 54.13 53.11 1xwy s LEU 151 Cb -0.08 -1.94 0.05 0.00 -0.43 0.00 0.00 46.19 43.80 1xwy s LEU 151 CO -0.00 -0.56 1.02 -1.38 -0.29 0.00 0.00 176.35 175.14 1xwy s HIS 152 N 1.34 2.98 -1.49 5.38 -3.43 -1.00 -1.77 115.29 117.29 1xwy s HIS 152 Ca 0.04 0.53 -0.02 0.00 -0.80 0.00 0.00 55.06 54.82 1xwy s HIS 152 Cb -0.24 -3.17 0.02 0.00 -1.43 0.00 0.00 32.58 27.76 1xwy s HIS 152 CO -0.00 -1.37 0.30 0.00 -2.00 0.00 0.00 174.74 171.67 1xwy s PHE 154 N -4.05 3.06 -0.02 0.00 5.36 -0.74 -4.88 117.98 116.71 1xwy s PHE 154 Ca 0.07 1.04 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 1xwy s PHE 154 Cb -0.04 -3.54 0.05 0.00 -0.34 0.00 0.00 43.02 39.15 1xwy s PHE 154 CO 0.93 -1.85 0.86 0.25 -1.46 0.00 0.00 175.22 173.95 1xwy n THR 155 N 4.56 0.51 -0.60 0.12 -2.24 -1.26 -4.87 114.28 110.50 1xwy n THR 155 Ca 0.12 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1xwy n THR 155 Cb 0.45 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1xwy n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwy n GLY 156 N -0.34 -1.58 3.92 3.38 0.00 -1.26 -4.95 105.19 104.36 1xwy n GLY 156 Ca 0.03 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 1xwy n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xwy s THR 157 N -0.76 2.64 0.29 2.61 -4.23 -1.26 -4.88 115.64 110.05 1xwy s THR 157 Ca 0.00 -0.17 0.21 0.00 -1.18 0.00 0.00 61.69 60.55 1xwy s THR 157 Cb 0.00 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.91 1xwy s THR 157 CO 0.00 -0.13 1.88 0.08 -0.54 0.00 0.00 174.62 175.90 1xwy h ARG 158 N -0.51 0.00 -0.28 3.99 0.11 -1.98 -0.53 114.38 115.19 1xwy h ARG 158 Ca -0.45 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.55 1xwy h ARG 158 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 1xwy h ARG 158 CO 0.61 0.27 -0.16 0.93 0.10 0.00 0.00 179.97 181.72 1xwy h GLU 159 N 0.00 0.59 -0.58 0.08 3.07 -1.99 -0.13 114.58 115.62 1xwy h GLU 159 Ca -0.00 -0.27 -0.10 0.00 -0.50 0.00 0.00 59.36 58.49 1xwy h GLU 159 Cb 0.64 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1xwy h GLU 159 CO 0.03 0.85 -0.01 0.93 -1.40 0.00 0.00 179.01 179.41 1xwy h GLU 160 N 0.33 1.02 -0.38 2.33 5.08 -1.85 -2.09 114.58 119.02 1xwy h GLU 160 Ca 0.06 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1xwy h GLU 160 Cb 0.68 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1xwy h GLU 160 CO 0.05 1.01 0.23 1.98 -1.00 0.00 0.00 179.01 181.27 1xwy h MET 161 N 0.93 0.51 -0.49 2.33 4.05 -0.96 -0.84 114.93 120.46 1xwy h MET 161 Ca 0.17 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1xwy h MET 161 Cb 0.56 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1xwy h MET 161 CO 0.03 0.38 0.09 1.96 0.23 0.00 0.00 176.91 179.61 1xwy h GLN 162 N 0.50 0.76 -0.34 0.39 1.08 -0.83 0.19 115.11 116.86 1xwy h GLN 162 Ca 0.14 -0.16 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 1xwy h GLN 162 Cb -0.00 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1xwy h GLN 162 CO -0.03 0.71 -0.22 0.00 -0.95 0.00 0.00 178.83 178.34 1xwy h ALA 163 N 1.37 0.48 -0.17 3.87 0.00 -1.12 0.11 119.26 123.80 1xwy h ALA 163 Ca 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xwy h ALA 163 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xwy h ALA 163 CO 0.00 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.75 1xwy h VAL 165 N 0.09 1.25 -0.28 0.00 2.07 -0.91 -1.12 116.25 117.34 1xwy h VAL 165 Ca 0.05 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1xwy h VAL 165 Cb 0.24 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xwy h VAL 165 CO -0.00 0.30 0.21 0.00 0.02 0.00 0.00 177.57 178.10 1xwy h ALA 166 N 1.16 2.27 -0.43 1.67 0.00 -0.62 0.87 119.26 124.17 1xwy h ALA 166 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xwy h ALA 166 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xwy h ALA 166 CO -0.03 -0.35 0.00 0.72 0.00 0.00 0.00 179.25 179.59 1xwy n HIS 167 N -4.45 0.58 -1.02 0.00 8.25 -0.50 -4.91 115.22 113.16 1xwy n HIS 167 Ca 0.04 -0.29 -0.01 0.00 -0.26 0.00 0.00 57.72 57.20 1xwy n HIS 167 Cb 0.37 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.47 1xwy n HIS 167 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xwy n GLY 168 N 1.20 0.48 3.76 -1.41 0.00 0.30 -5.03 105.19 104.49 1xwy n GLY 168 Ca 0.15 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1xwy n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwy s ILE 169 N -2.00 4.54 0.43 -0.61 1.01 -0.74 -4.74 121.20 119.09 1xwy s ILE 169 Ca 0.00 1.72 -0.22 0.00 0.00 0.00 0.00 60.65 62.16 1xwy s ILE 169 Cb 0.00 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 1xwy s ILE 169 CO 0.00 0.43 0.99 -0.31 0.00 0.00 0.00 174.94 176.05 1xwy s TYR 170 N -0.52 3.25 -0.18 3.97 1.51 -0.32 -4.32 117.35 120.74 1xwy s TYR 170 Ca 0.38 1.62 -0.00 0.00 -1.01 0.00 0.00 57.07 58.06 1xwy s TYR 170 Cb -0.22 -2.96 0.01 0.00 -0.11 0.00 0.00 41.96 38.67 1xwy s TYR 170 CO 0.25 -0.37 -0.15 0.42 -1.11 0.00 0.00 175.55 174.60 1xwy s ILE 171 N -1.98 2.57 -0.13 2.71 -1.09 0.62 -1.23 121.20 122.67 1xwy s ILE 171 Ca 0.62 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 58.10 1xwy s ILE 171 Cb -0.14 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.59 1xwy s ILE 171 CO 0.18 0.50 0.38 -0.83 -1.23 0.00 0.00 174.94 173.95 1xwy s GLY 172 N 1.19 2.31 -0.05 6.18 0.00 -0.73 -1.44 107.32 114.78 1xwy s GLY 172 Ca 0.02 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.47 1xwy s GLY 172 CO -0.07 0.53 -0.21 -0.42 0.00 0.00 0.00 173.10 172.94 1xwy s ILE 173 N 0.36 1.75 0.09 0.90 1.09 -0.32 -1.80 121.20 123.28 1xwy s ILE 173 Ca 0.21 -0.90 0.01 0.00 -1.10 0.00 0.00 60.65 58.87 1xwy s ILE 173 Cb -0.14 -1.49 0.01 0.00 -1.06 0.00 0.00 42.46 39.78 1xwy s ILE 173 CO 0.07 0.49 0.06 0.35 -0.10 0.00 0.00 174.94 175.82 1xwy n THR 174 N 3.04 0.00 0.97 2.92 -2.24 -1.26 -1.70 114.28 116.01 1xwy n THR 174 Ca -0.18 -0.38 0.08 0.00 -2.27 0.00 0.00 64.05 61.31 1xwy n THR 174 Cb 0.52 -0.34 0.48 0.00 -2.10 0.00 0.00 70.33 68.89 1xwy n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwy n GLY 175 N 3.89 -0.66 0.39 3.38 0.00 -1.25 -3.24 105.19 107.69 1xwy n GLY 175 Ca -0.01 -0.10 0.21 0.00 0.00 0.00 0.00 46.02 46.12 1xwy n GLY 175 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xwy h TRP 176 N 0.00 0.72 0.00 1.61 7.01 -1.93 0.35 115.95 123.72 1xwy h TRP 176 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1xwy h TRP 176 Cb 0.06 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1xwy h TRP 176 CO 0.00 0.10 0.00 1.55 -2.79 0.00 0.00 178.44 177.30 1xwy n VAL 177 N -4.65 0.93 1.18 2.65 3.14 -1.20 -2.05 118.33 118.33 1xwy n VAL 177 Ca 0.24 0.38 0.07 0.00 -2.96 0.00 0.00 64.34 62.07 1xwy n VAL 177 Cb 0.80 -1.33 0.22 0.00 -1.06 0.00 0.00 33.84 32.48 1xwy n VAL 177 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xwy s ASP 179 N -1.19 6.08 0.52 0.00 -1.08 -0.87 -3.46 116.67 116.67 1xwy s ASP 179 Ca 0.24 -0.75 0.17 0.00 -0.52 0.00 0.00 52.55 51.69 1xwy s ASP 179 Cb 0.12 -2.15 1.30 0.00 -1.46 0.00 0.00 42.92 40.74 1xwy s ASP 179 CO 0.17 -0.38 2.15 -0.33 0.52 0.00 0.00 175.17 177.30 1xwy h GLU 180 N 8.58 0.00 0.09 4.34 4.39 -1.89 -0.38 114.58 129.71 1xwy h GLU 180 Ca -0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1xwy h GLU 180 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1xwy h GLU 180 CO 0.70 0.02 -0.04 0.00 -1.16 0.00 0.00 179.01 178.52 1xwy h ARG 181 N 0.00 -0.11 0.00 2.33 3.08 -1.96 -3.40 114.38 114.32 1xwy h ARG 181 Ca -0.00 0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.82 1xwy h ARG 181 Cb 0.03 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1xwy h ARG 181 CO 0.00 0.42 -1.90 0.54 -1.07 0.00 0.00 179.97 177.97 1xwy n ARG 182 N -4.85 1.79 -0.04 0.04 3.00 -1.19 -4.72 116.66 110.70 1xwy n ARG 182 Ca -0.08 -0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.87 1xwy n ARG 182 Cb 0.29 -1.33 0.50 0.00 0.00 0.00 0.00 32.46 31.92 1xwy n ARG 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xwy n GLY 183 N 2.22 -0.22 0.37 -0.13 0.00 -0.16 -4.29 105.19 102.98 1xwy n GLY 183 Ca -0.22 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.49 1xwy n GLY 183 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xwy h LEU 184 N 1.45 1.05 -0.32 0.99 5.85 -1.77 -0.52 115.31 122.04 1xwy h LEU 184 Ca 0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xwy h LEU 184 Cb 0.32 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1xwy h LEU 184 CO 0.00 0.71 0.12 -0.08 -0.34 0.00 0.00 178.44 178.85 1xwy h GLU 185 N 1.22 0.25 -0.30 1.25 4.22 -1.95 -1.27 114.58 118.01 1xwy h GLU 185 Ca 0.40 -0.02 -0.18 0.00 0.08 0.00 0.00 59.36 59.64 1xwy h GLU 185 Cb 0.05 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xwy h GLU 185 CO -0.14 0.17 -0.54 1.25 -2.18 0.00 0.00 179.01 177.57 1xwy h LEU 186 N 0.26 0.98 -0.87 1.64 5.85 -1.76 -3.15 115.31 118.26 1xwy h LEU 186 Ca 0.14 -0.52 0.15 0.00 0.84 0.00 0.00 57.88 58.49 1xwy h LEU 186 Cb 0.10 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.76 1xwy h LEU 186 CO -0.14 1.32 0.47 -0.09 -0.34 0.00 0.00 178.44 179.66 1xwy h ARG 187 N 0.68 0.65 -0.16 1.25 2.43 -0.72 -0.88 114.38 117.64 1xwy h ARG 187 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1xwy h ARG 187 Cb 1.14 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1xwy h ARG 187 CO 0.12 0.43 0.10 0.93 -1.51 0.00 0.00 179.97 180.04 1xwy h GLU 188 N 0.66 0.20 -0.02 0.20 5.08 -1.19 -2.76 114.58 116.75 1xwy h GLU 188 Ca 0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1xwy h GLU 188 Cb 0.66 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1xwy h GLU 188 CO -0.35 0.13 -0.03 1.47 -1.00 0.00 0.00 179.01 179.23 1xwy n LEU 189 N -4.52 2.34 -0.31 1.33 -0.00 -0.35 -4.42 117.00 111.07 1xwy n LEU 189 Ca -0.01 -0.78 0.08 0.00 -0.00 0.00 0.00 56.01 55.31 1xwy n LEU 189 Cb 0.08 -0.00 0.25 0.00 -0.00 0.00 0.00 43.42 43.74 1xwy n LEU 189 CO 0.34 0.39 1.13 -0.07 -0.00 0.00 0.00 177.39 179.19 1xwy h LEU 190 N 3.64 0.61 -1.90 1.47 4.07 -1.27 0.15 115.31 122.08 1xwy h LEU 190 Ca 0.00 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1xwy h LEU 190 Cb 0.79 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1xwy h LEU 190 CO 0.00 0.25 0.00 -0.65 -1.08 0.00 0.00 178.44 176.96 1xwy h PRO 191 N 0.68 0.00 0.00 1.13 0.11 -1.80 -2.37 132.00 129.75 1xwy h PRO 191 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1xwy h PRO 191 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1xwy h PRO 191 CO -0.36 0.00 -0.39 1.28 -0.21 0.00 0.00 178.00 178.31 1xwy n LEU 192 N -2.67 0.41 -4.68 2.35 4.77 0.52 -4.82 117.00 112.88 1xwy n LEU 192 Ca -0.01 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1xwy n LEU 192 Cb 0.11 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1xwy n LEU 192 CO 0.17 0.08 0.62 -0.63 -1.33 0.00 0.00 177.39 176.30 1xwy s ILE 193 N -3.01 4.88 0.20 -0.08 1.01 -0.89 -4.99 121.20 118.31 1xwy s ILE 193 Ca 0.11 1.68 -0.32 0.00 0.00 0.00 0.00 60.65 62.12 1xwy s ILE 193 Cb 0.17 -4.16 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 1xwy s ILE 193 CO 0.66 0.04 1.63 -2.65 0.00 0.00 0.00 174.94 174.63 1xwy n PRO 194 N 5.08 2.49 -0.29 2.79 -0.02 -1.26 -4.85 135.00 138.94 1xwy n PRO 194 Ca 0.05 0.90 0.15 0.00 -2.02 0.00 0.00 63.50 62.58 1xwy n PRO 194 Cb 0.49 -2.69 0.41 0.00 -0.02 0.00 0.00 33.50 31.69 1xwy n PRO 194 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xwy h ALA 195 N 6.05 1.94 0.00 3.55 0.00 -1.95 0.93 119.26 129.78 1xwy h ALA 195 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xwy h ALA 195 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xwy h ALA 195 CO 0.90 -0.24 0.00 0.39 0.00 0.00 0.00 179.25 180.30 1xwy n GLU 196 N -4.60 0.89 0.00 0.00 4.71 -1.26 -2.99 120.64 117.38 1xwy n GLU 196 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 1xwy n GLU 196 Cb 0.60 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 1xwy n GLU 196 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1xwy n LYS 197 N -0.89 0.86 -3.52 3.49 4.76 0.31 -4.92 118.16 118.25 1xwy n LYS 197 Ca 0.17 -0.95 -0.37 0.00 -2.87 0.00 0.00 58.31 54.29 1xwy n LYS 197 Cb 0.08 -0.98 -0.07 0.00 -1.84 0.00 0.00 35.03 32.21 1xwy n LYS 197 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xwy s LEU 198 N -0.46 4.26 0.07 -0.35 2.96 -1.15 -0.28 118.68 123.73 1xwy s LEU 198 Ca 0.00 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1xwy s LEU 198 Cb 0.00 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1xwy s LEU 198 CO 0.00 0.11 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.20 1xwy s LEU 199 N 0.39 2.24 0.15 -0.68 1.43 -0.52 -4.66 118.68 117.02 1xwy s LEU 199 Ca 0.18 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1xwy s LEU 199 Cb -0.13 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1xwy s LEU 199 CO 0.05 0.04 -0.11 -0.63 0.23 0.00 0.00 176.35 175.93 1xwy s ILE 200 N -1.05 3.16 0.20 -0.59 -1.09 -1.26 -1.17 121.20 119.40 1xwy s ILE 200 Ca 0.04 -1.54 -0.22 0.00 -2.23 0.00 0.00 60.65 56.71 1xwy s ILE 200 Cb -0.09 -2.52 0.05 0.00 -1.58 0.00 0.00 42.46 38.31 1xwy s ILE 200 CO 0.03 -0.01 0.63 -1.83 -1.23 0.00 0.00 174.94 172.52 1xwy s GLU 201 N -2.54 1.45 -0.14 2.79 -1.05 -0.69 -2.44 118.70 116.09 1xwy s GLU 201 Ca 0.23 -0.68 0.15 0.00 -0.15 0.00 0.00 54.97 54.51 1xwy s GLU 201 Cb -0.10 0.59 -0.21 0.00 -0.44 0.00 0.00 34.13 33.97 1xwy s GLU 201 CO 0.14 -0.64 0.11 0.25 0.95 0.00 0.00 175.26 176.06 1xwy n THR 202 N -0.40 0.94 -2.03 1.83 -2.24 -1.26 -3.96 114.28 107.16 1xwy n THR 202 Ca -0.12 -0.64 -0.17 0.00 -2.27 0.00 0.00 64.05 60.85 1xwy n THR 202 Cb 0.63 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1xwy n THR 202 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xwy n ASP 203 N -2.52 -5.09 -4.66 3.42 2.03 -0.38 -4.56 116.55 104.79 1xwy n ASP 203 Ca -0.23 0.15 -0.41 0.00 0.52 0.00 0.00 54.79 54.82 1xwy n ASP 203 Cb 0.94 -4.15 0.01 0.00 -0.72 0.00 0.00 41.12 37.20 1xwy n ASP 203 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xwy n ALA 204 N -0.69 0.76 1.88 -1.67 0.00 -1.24 -0.89 120.51 118.66 1xwy n ALA 204 Ca -0.19 0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1xwy n ALA 204 Cb 0.62 -2.18 0.79 0.00 0.00 0.00 0.00 19.45 18.68 1xwy n ALA 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xwy n PRO 205 N 0.10 0.94 -2.47 0.00 -0.04 -1.26 -1.05 135.00 131.22 1xwy n PRO 205 Ca 0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1xwy n PRO 205 Cb 0.39 -1.44 0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1xwy n PRO 205 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xwy s TYR 206 N -2.00 2.70 -1.26 0.54 2.02 -0.07 -1.07 117.35 118.21 1xwy s TYR 206 Ca 0.40 0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 57.19 1xwy s TYR 206 Cb 0.18 -2.96 0.00 0.00 -0.40 0.00 0.00 41.96 38.79 1xwy s TYR 206 CO 0.31 -1.19 1.02 1.28 -1.57 0.00 0.00 175.55 175.39 1xwy n LEU 207 N -2.63 -3.77 -4.70 -1.29 4.77 -1.26 -4.58 117.00 103.54 1xwy n LEU 207 Ca 0.09 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 1xwy n LEU 207 Cb 0.60 -3.05 -0.03 0.00 -2.33 0.00 0.00 43.42 38.61 1xwy n LEU 207 CO 0.47 0.45 1.44 -0.22 -1.33 0.00 0.00 177.39 178.20 1xwy s LEU 208 N -6.63 4.39 0.04 2.23 2.96 -1.26 -4.51 118.68 115.90 1xwy s LEU 208 Ca 0.15 2.77 -0.34 0.00 -0.22 0.00 0.00 54.13 56.50 1xwy s LEU 208 Cb -0.07 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 42.92 1xwy s LEU 208 CO 0.74 -0.99 1.74 -2.65 -1.32 0.00 0.00 176.35 173.87 1xwy n PRO 209 N 5.21 2.19 0.03 0.98 -0.02 -1.26 -4.87 135.00 137.25 1xwy n PRO 209 Ca 0.17 0.80 -0.06 0.00 -2.02 0.00 0.00 63.50 62.39 1xwy n PRO 209 Cb 0.37 -2.61 0.14 0.00 -0.02 0.00 0.00 33.50 31.38 1xwy n PRO 209 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xwy h ARG 210 N 7.64 0.45 -0.38 -0.52 9.65 -1.84 -2.93 114.38 126.45 1xwy h ARG 210 Ca -0.47 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.18 1xwy h ARG 210 Cb 1.26 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1xwy h ARG 210 CO 0.92 0.80 0.00 -0.40 2.80 0.00 0.00 179.97 184.08 1xwy n ASP 211 N -4.01 0.85 -4.61 -3.80 5.75 -1.22 -4.85 116.55 104.65 1xwy n ASP 211 Ca -0.02 -2.04 -0.43 0.00 -0.01 0.00 0.00 54.79 52.30 1xwy n ASP 211 Cb 0.52 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1xwy n ASP 211 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xwy s LEU 212 N -0.77 3.61 0.20 -2.12 2.96 -1.11 -4.89 118.68 116.56 1xwy s LEU 212 Ca 0.06 1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 55.63 1xwy s LEU 212 Cb 0.04 -3.52 0.14 0.00 0.50 0.00 0.00 46.19 43.35 1xwy s LEU 212 CO 0.03 -1.72 1.81 0.71 -1.32 0.00 0.00 176.35 175.86 1xwy h THR 213 N 6.79 1.23 -0.99 3.68 1.35 -1.92 -2.88 112.91 120.17 1xwy h THR 213 Ca -0.39 -0.61 0.28 0.00 -0.55 0.00 0.00 66.41 65.15 1xwy h THR 213 Cb 1.21 0.29 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1xwy h THR 213 CO 0.98 0.26 0.71 -0.65 -0.25 0.00 0.00 175.52 176.57 1xwy h PRO 214 N 1.02 0.03 0.00 4.72 0.11 -2.00 -3.46 132.00 132.42 1xwy h PRO 214 Ca 0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1xwy h PRO 214 Cb 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1xwy h PRO 214 CO -0.04 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 179.40 1xwy n LYS 215 N -4.26 0.00 -0.85 1.05 5.02 -1.09 -4.96 118.16 113.07 1xwy n LYS 215 Ca 0.21 0.32 -0.11 0.00 -2.02 0.00 0.00 58.31 56.71 1xwy n LYS 215 Cb 1.04 -3.56 -0.04 0.00 -0.02 0.00 0.00 35.03 32.45 1xwy n LYS 215 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1xwy n PRO 216 N -2.32 1.63 -0.49 1.97 -0.02 -1.26 -4.94 135.00 129.57 1xwy n PRO 216 Ca 0.00 -0.96 -0.29 0.00 -2.02 0.00 0.00 63.50 60.24 1xwy n PRO 216 Cb 0.15 -1.55 0.25 0.00 -0.02 0.00 0.00 33.50 32.33 1xwy n PRO 216 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xwy n SER 217 N 1.35 -1.63 -3.28 2.55 7.64 -1.26 -3.85 113.62 115.14 1xwy n SER 217 Ca 0.24 -0.13 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 1xwy n SER 217 Cb 0.62 -1.27 0.02 0.00 -1.01 0.00 0.00 64.21 62.57 1xwy n SER 217 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1xwy n SER 218 N -4.88 -4.94 -1.93 6.43 2.88 -1.26 -4.95 113.62 104.98 1xwy n SER 218 Ca 0.03 -0.39 -0.04 0.00 -1.33 0.00 0.00 58.87 57.15 1xwy n SER 218 Cb 0.54 -4.01 -0.01 0.00 -0.75 0.00 0.00 64.21 59.98 1xwy n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xwy n ARG 219 N -4.00 1.14 -2.56 -1.46 5.12 -1.25 -5.13 116.66 108.53 1xwy n ARG 219 Ca -0.05 -0.45 -0.41 0.00 -1.93 0.00 0.00 57.85 55.00 1xwy n ARG 219 Cb 0.57 0.21 -0.04 0.00 -1.16 0.00 0.00 32.46 32.05 1xwy n ARG 219 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1xwy s ARG 220 N -2.21 4.59 0.47 5.56 3.52 -1.26 -4.74 118.95 124.88 1xwy s ARG 220 Ca 0.02 1.65 -0.06 0.00 -0.13 0.00 0.00 55.73 57.21 1xwy s ARG 220 Cb 0.00 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1xwy s ARG 220 CO 0.01 0.06 0.78 1.21 -0.81 0.00 0.00 175.30 176.55 1xwy s ASN 221 N 0.12 6.31 0.09 -2.12 2.47 -0.23 -4.98 114.94 116.59 1xwy s ASN 221 Ca 0.50 0.97 -0.18 0.00 0.42 0.00 0.00 52.86 54.56 1xwy s ASN 221 Cb -0.28 -2.26 0.04 0.00 -1.45 0.00 0.00 41.25 37.30 1xwy s ASN 221 CO 0.33 -0.55 0.44 -1.83 -3.72 0.00 0.00 177.10 171.77 1xwy s GLU 222 N -4.58 1.03 0.61 0.43 -1.05 -1.26 -4.20 118.70 109.68 1xwy s GLU 222 Ca 0.48 -0.49 0.29 0.00 -0.15 0.00 0.00 54.97 55.10 1xwy s GLU 222 Cb -0.10 0.46 1.56 0.00 -0.44 0.00 0.00 34.13 35.60 1xwy s GLU 222 CO 0.43 -0.39 1.94 -1.00 0.95 0.00 0.00 175.26 177.19 1xwy h PRO 223 N 2.62 0.00 0.00 -4.83 0.13 -1.96 -0.83 132.00 127.13 1xwy h PRO 223 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1xwy h PRO 223 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xwy h PRO 223 CO 0.44 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.21 1xwy n ALA 224 N -2.20 1.22 1.37 -0.56 0.00 -1.26 -1.02 120.51 118.06 1xwy n ALA 224 Ca 0.04 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1xwy n ALA 224 Cb 0.52 -1.24 0.44 0.00 0.00 0.00 0.00 19.45 19.17 1xwy n ALA 224 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xwy n HIS 225 N -1.97 0.00 -0.25 0.00 8.25 -0.32 -4.35 115.22 116.58 1xwy n HIS 225 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xwy n HIS 225 Cb 0.08 -0.04 0.12 0.00 1.12 0.00 0.00 29.99 31.26 1xwy n HIS 225 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xwy h LEU 226 N 2.12 0.61 -1.76 2.41 5.85 -1.26 -2.23 115.31 121.05 1xwy h LEU 226 Ca 0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1xwy h LEU 226 Cb 0.54 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1xwy h LEU 226 CO 0.00 0.38 0.27 1.55 -0.34 0.00 0.00 178.44 180.30 1xwy h PRO 227 N 0.74 0.28 -0.29 5.25 0.13 -1.81 0.60 132.00 136.91 1xwy h PRO 227 Ca 0.33 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.33 1xwy h PRO 227 Cb 0.22 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1xwy h PRO 227 CO -0.19 0.19 -0.23 1.25 -0.23 0.00 0.00 178.00 178.78 1xwy h HIS 228 N 0.29 0.79 -0.46 1.56 -0.00 -1.71 -0.85 115.15 114.77 1xwy h HIS 228 Ca 0.18 -0.22 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1xwy h HIS 228 Cb 0.33 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1xwy h HIS 228 CO -0.00 0.95 0.25 0.82 -0.00 0.00 0.00 177.93 179.94 1xwy h ILE 229 N 0.41 1.17 -0.64 6.26 2.04 -0.90 -2.29 117.51 123.56 1xwy h ILE 229 Ca 0.05 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1xwy h ILE 229 Cb 0.79 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1xwy h ILE 229 CO 0.06 0.18 0.15 0.25 0.00 0.00 0.00 178.15 178.79 1xwy h LEU 230 N 0.60 0.95 -0.42 1.44 5.85 -0.84 -1.49 115.31 121.41 1xwy h LEU 230 Ca 0.16 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1xwy h LEU 230 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1xwy h LEU 230 CO -0.02 0.92 0.27 1.56 -0.34 0.00 0.00 178.44 180.83 1xwy h GLN 231 N 0.96 0.55 -0.06 1.25 1.08 -0.83 -0.60 115.11 117.45 1xwy h GLN 231 Ca 0.20 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1xwy h GLN 231 Cb 0.35 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1xwy h GLN 231 CO 0.00 0.37 0.03 0.00 -0.95 0.00 0.00 178.83 178.28 1xwy h ARG 232 N 0.56 0.08 -0.58 1.46 2.47 -1.22 -0.27 114.38 116.88 1xwy h ARG 232 Ca 0.15 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1xwy h ARG 232 Cb -0.06 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 1xwy h ARG 232 CO -0.03 0.13 0.38 0.82 0.56 0.00 0.00 179.97 181.83 1xwy h ILE 233 N 0.01 1.15 -0.52 2.04 2.04 -1.14 -0.87 117.51 120.21 1xwy h ILE 233 Ca 0.02 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1xwy h ILE 233 Cb 0.08 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1xwy h ILE 233 CO -0.00 0.14 0.33 0.00 0.00 0.00 0.00 178.15 178.62 1xwy h ALA 234 N 1.21 0.67 -0.47 1.87 0.00 -0.92 -2.01 119.26 119.60 1xwy h ALA 234 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xwy h ALA 234 Cb -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1xwy h ALA 234 CO -0.05 0.07 0.26 1.25 0.00 0.00 0.00 179.25 180.79 1xwy h HIS 235 N 0.67 0.49 0.00 0.00 -0.00 -0.44 -0.28 115.15 115.59 1xwy h HIS 235 Ca 0.20 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 1xwy h HIS 235 Cb -0.03 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1xwy h HIS 235 CO -0.05 0.27 0.00 0.91 -0.00 0.00 0.00 177.93 179.06 1xwy n TRP 236 N -4.85 0.24 0.83 5.26 8.01 -0.39 -2.05 117.44 124.49 1xwy n TRP 236 Ca 0.03 0.09 0.09 0.00 -1.31 0.00 0.00 57.50 56.40 1xwy n TRP 236 Cb 0.09 -0.65 -0.00 0.00 -2.01 0.00 0.00 31.31 28.74 1xwy n TRP 236 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1xwy n ARG 237 N -1.72 1.50 -1.00 -0.99 1.74 -0.72 -4.55 116.66 110.91 1xwy n ARG 237 Ca 0.04 -0.91 -0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1xwy n ARG 237 Cb 0.21 -1.36 -0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1xwy n ARG 237 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xwy n GLY 238 N 1.26 0.46 3.97 -0.13 0.00 -0.41 -4.95 105.19 105.38 1xwy n GLY 238 Ca 0.08 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1xwy n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xwy s GLU 239 N -0.31 3.28 0.08 1.61 2.02 -0.25 -5.00 118.70 120.13 1xwy s GLU 239 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 1xwy s GLU 239 Cb 0.00 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 1xwy s GLU 239 CO 0.00 0.13 0.98 0.34 0.02 0.00 0.00 175.26 176.73 1xwy s ASP 240 N -4.10 7.43 0.17 -0.19 2.15 -1.26 -4.28 116.67 116.60 1xwy s ASP 240 Ca 0.41 1.79 -0.14 0.00 0.43 0.00 0.00 52.55 55.04 1xwy s ASP 240 Cb -0.09 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.05 1xwy s ASP 240 CO 0.33 -0.14 1.77 0.00 -0.17 0.00 0.00 175.17 176.96 1xwy h ALA 241 N 5.92 0.56 -0.59 3.66 0.00 -1.90 0.14 119.26 127.05 1xwy h ALA 241 Ca -0.42 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1xwy h ALA 241 Cb 1.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1xwy h ALA 241 CO 0.73 -0.16 0.21 0.00 0.00 0.00 0.00 179.25 180.03 1xwy h ALA 242 N 1.26 1.28 -0.36 0.00 0.00 -1.97 0.13 119.26 119.60 1xwy h ALA 242 Ca 0.20 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xwy h ALA 242 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xwy h ALA 242 CO -0.16 0.53 -0.17 2.35 0.00 0.00 0.00 179.25 181.80 1xwy h TRP 243 N 0.85 0.86 -0.51 0.00 7.01 -1.74 -2.03 115.95 120.38 1xwy h TRP 243 Ca 0.20 -0.21 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 1xwy h TRP 243 Cb 0.20 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 1xwy h TRP 243 CO 0.01 0.94 -0.01 1.25 -2.79 0.00 0.00 178.44 177.84 1xwy h LEU 244 N 0.53 0.84 -0.37 0.65 5.85 -0.20 -1.40 115.31 121.21 1xwy h LEU 244 Ca 0.08 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1xwy h LEU 244 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1xwy h LEU 244 CO 0.05 0.91 0.23 0.00 -0.34 0.00 0.00 178.44 179.29 1xwy h ALA 245 N 1.18 0.47 -0.68 1.25 0.00 -0.61 -0.80 119.26 120.06 1xwy h ALA 245 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1xwy h ALA 245 Cb 0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xwy h ALA 245 CO 0.02 -0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.34 1xwy h ALA 246 N 1.15 0.89 -0.24 0.00 0.00 -1.02 -1.37 119.26 118.68 1xwy h ALA 246 Ca 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xwy h ALA 246 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xwy h ALA 246 CO -0.05 0.61 0.04 1.15 0.00 0.00 0.00 179.25 181.00 1xwy h THR 247 N 1.01 1.22 -0.25 0.00 2.02 -1.02 -1.92 112.91 113.97 1xwy h THR 247 Ca 0.21 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 1xwy h THR 247 Cb 0.36 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1xwy h THR 247 CO 0.00 0.24 -0.21 0.71 0.37 0.00 0.00 175.52 176.63 1xwy h THR 248 N 0.21 1.25 -0.55 3.16 1.35 -1.07 -1.37 112.91 115.90 1xwy h THR 248 Ca 0.07 -1.16 -0.05 0.00 -0.55 0.00 0.00 66.41 64.72 1xwy h THR 248 Cb 0.32 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1xwy h THR 248 CO 0.00 0.37 0.12 0.44 -0.25 0.00 0.00 175.52 176.21 1xwy h ASP 249 N 0.42 0.79 -0.64 5.36 3.32 -1.11 -0.64 116.42 123.92 1xwy h ASP 249 Ca 0.07 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1xwy h ASP 249 Cb 0.60 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1xwy h ASP 249 CO 0.04 0.78 0.13 0.00 -1.72 0.00 0.00 179.24 178.47 1xwy h ALA 250 N 1.32 0.98 -0.54 3.45 0.00 -0.82 -0.81 119.26 122.84 1xwy h ALA 250 Ca 0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xwy h ALA 250 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xwy h ALA 250 CO 0.00 0.65 0.16 -0.91 0.00 0.00 0.00 179.25 179.15 1xwy h ASN 251 N 1.01 0.79 -0.30 0.00 2.35 -0.59 -0.24 115.58 118.60 1xwy h ASN 251 Ca 0.20 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1xwy h ASN 251 Cb 0.40 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1xwy h ASN 251 CO 0.01 0.80 0.17 0.58 -1.65 0.00 0.00 177.43 177.33 1xwy h VAL 252 N 0.75 1.03 -0.75 2.81 2.07 -0.74 0.12 116.25 121.54 1xwy h VAL 252 Ca 0.17 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1xwy h VAL 252 Cb 0.29 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1xwy h VAL 252 CO -0.00 0.06 0.49 0.11 0.02 0.00 0.00 177.57 178.26 1xwy h LYS 253 N 0.35 0.98 -0.08 1.57 1.57 -0.96 0.06 116.57 120.06 1xwy h LYS 253 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1xwy h LYS 253 Cb 0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1xwy h LYS 253 CO -0.06 0.65 0.03 1.15 -0.57 0.00 0.00 179.45 180.65 1xwy h THR 254 N 1.01 1.17 -0.10 -0.16 2.02 -0.71 0.39 112.91 116.52 1xwy h THR 254 Ca 0.28 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1xwy h THR 254 Cb -0.10 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1xwy h THR 254 CO -0.06 0.14 -0.18 0.25 0.37 0.00 0.00 175.52 176.04 1xwy h LEU 255 N -0.05 0.33 0.00 2.58 5.85 -0.53 -3.37 115.31 120.12 1xwy h LEU 255 Ca 0.03 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1xwy h LEU 255 Cb 0.20 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1xwy h LEU 255 CO -0.00 0.82 -1.33 0.49 -0.34 0.00 0.00 178.44 178.07 1xwy n PHE 256 N -4.55 0.29 -2.72 1.25 3.72 -0.01 -4.70 117.46 110.74 1xwy n PHE 256 Ca -0.07 0.08 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 1xwy n PHE 256 Cb 0.40 -0.52 0.02 0.00 -0.94 0.00 0.00 39.48 38.44 1xwy n PHE 256 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xwy n GLY 257 N 1.31 0.13 3.48 1.37 0.00 0.13 -5.00 105.19 106.60 1xwy n GLY 257 Ca -0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 1xwy n GLY 257 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xwy s ILE 258 N -2.91 2.65 -0.19 -0.61 -4.36 -1.25 -5.08 121.20 109.44 1xwy s ILE 258 Ca 0.18 -2.07 -0.06 0.00 -0.26 0.00 0.00 60.65 58.44 1xwy s ILE 258 Cb -0.08 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 1xwy s ILE 258 CO 0.22 -0.22 0.02 0.00 0.24 0.00 0.00 174.94 175.20 1xwy s ALA 259 N -1.99 3.20 0.00 2.27 0.00 -1.26 -4.61 121.76 119.36 1xwy s ALA 259 Ca 0.25 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1xwy s ALA 259 Cb -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1xwy s ALA 259 CO 0.13 0.06 0.00 1.97 0.00 0.00 0.00 175.76 177.92