#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwx s GLN 3 N 0.00 4.43 -0.19 -0.72 -1.52 -0.49 -4.90 119.66 116.26 1qwx s GLN 3 Ca 0.00 0.96 0.00 0.00 -1.95 0.00 0.00 55.36 54.37 1qwx s GLN 3 Cb 0.00 -3.32 0.02 0.00 -0.22 0.00 0.00 33.01 29.48 1qwx s GLN 3 CO 0.00 0.40 -0.16 -1.17 -0.25 0.00 0.00 175.29 174.11 1qwx s LEU 4 N -0.42 2.34 -0.15 2.90 2.96 -1.26 0.15 118.68 125.21 1qwx s LEU 4 Ca 0.35 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1qwx s LEU 4 Cb -0.20 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1qwx s LEU 4 CO 0.22 -0.01 0.05 -1.58 -1.32 0.00 0.00 176.35 173.70 1qwx s GLN 5 N 1.32 3.62 -0.14 1.98 0.74 -0.16 -4.99 119.66 122.02 1qwx s GLN 5 Ca 0.05 -0.34 -0.11 0.00 0.05 0.00 0.00 55.36 55.00 1qwx s GLN 5 Cb -0.14 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 1qwx s GLN 5 CO -0.11 0.46 0.21 -0.06 -0.55 0.00 0.00 175.29 175.24 1qwx s PHE 6 N -0.16 3.52 -0.27 1.67 0.40 -1.26 -0.91 117.98 120.96 1qwx s PHE 6 Ca 0.07 0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.96 1qwx s PHE 6 Cb -0.12 -2.16 0.07 0.00 0.51 0.00 0.00 43.02 41.32 1qwx s PHE 6 CO 0.01 0.45 -0.05 0.42 0.70 0.00 0.00 175.22 176.76 1qwx s ILE 7 N -0.20 1.94 -0.50 0.64 1.01 0.03 -4.85 121.20 119.26 1qwx s ILE 7 Ca 0.14 -1.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.01 1qwx s ILE 7 Cb -0.12 -2.19 0.12 0.00 0.01 0.00 0.00 42.46 40.27 1qwx s ILE 7 CO 0.03 -0.21 0.42 0.20 0.00 0.00 0.00 174.94 175.39 1qwx s ASN 8 N 1.17 5.98 0.02 3.58 0.01 -0.49 -1.37 114.94 123.83 1qwx s ASN 8 Ca -0.03 -1.78 -0.30 0.00 -0.71 0.00 0.00 52.86 50.04 1qwx s ASN 8 Cb -0.19 -2.12 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 1qwx s ASN 8 CO -0.07 -0.76 1.30 -0.76 -1.51 0.00 0.00 177.10 175.30 1qwx s LEU 9 N 1.51 4.33 -0.30 0.60 1.43 -0.19 -0.96 118.68 125.09 1qwx s LEU 9 Ca 0.04 2.04 -0.07 0.00 -1.03 0.00 0.00 54.13 55.12 1qwx s LEU 9 Cb -0.28 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.39 1qwx s LEU 9 CO 0.02 -0.61 0.08 -0.69 0.23 0.00 0.00 176.35 175.37 1qwx s VAL 10 N 1.85 3.90 -0.05 -1.59 1.01 -0.39 -0.94 120.40 124.20 1qwx s VAL 10 Ca 0.61 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 1qwx s VAL 10 Cb -0.30 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.11 1qwx s VAL 10 CO 0.26 0.05 0.68 -0.72 0.00 0.00 0.00 175.10 175.37 1qwx s TYR 11 N 1.48 -0.66 -0.55 5.22 1.13 -1.26 -4.56 117.35 118.15 1qwx s TYR 11 Ca 0.02 1.11 -0.23 0.00 -1.41 0.00 0.00 57.07 56.56 1qwx s TYR 11 Cb -0.17 0.41 0.05 0.00 -1.10 0.00 0.00 41.96 41.15 1qwx s TYR 11 CO 0.02 -0.62 0.86 0.34 -2.51 0.00 0.00 175.55 173.65 1qwx s ASP 12 N -1.23 6.29 0.45 -0.18 -1.08 -1.26 -4.90 116.67 114.77 1qwx s ASP 12 Ca -0.11 -0.56 0.30 0.00 -0.52 0.00 0.00 52.55 51.66 1qwx s ASP 12 Cb -0.00 -2.40 1.18 0.00 -1.46 0.00 0.00 42.92 40.24 1qwx s ASP 12 CO 0.09 -1.17 1.88 0.00 0.52 0.00 0.00 175.17 176.50 1qwx h THR 13 N 5.98 0.00 0.00 1.71 1.03 -1.99 -2.52 112.91 117.12 1qwx h THR 13 Ca -0.27 -0.47 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 1qwx h THR 13 Cb 1.08 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 1qwx h THR 13 CO 1.07 0.00 0.00 0.71 -0.01 0.00 0.00 175.52 177.29 1qwx h THR 14 N 0.00 0.00 -0.13 0.00 1.35 -2.02 -2.41 112.91 109.71 1qwx h THR 14 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1qwx h THR 14 Cb 0.51 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1qwx h THR 14 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1qwx n LYS 15 N -2.51 2.35 -3.93 4.72 4.76 -0.95 -4.97 118.16 117.64 1qwx n LYS 15 Ca 0.00 -1.99 -0.26 0.00 -2.87 0.00 0.00 58.31 53.20 1qwx n LYS 15 Cb 0.18 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 1qwx n LYS 15 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qwx s LEU 16 N -1.86 4.33 0.62 -0.35 1.43 -0.91 -5.10 118.68 116.84 1qwx s LEU 16 Ca 0.31 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 1qwx s LEU 16 Cb 0.21 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1qwx s LEU 16 CO 0.31 0.03 1.03 0.42 0.23 0.00 0.00 176.35 178.37 1qwx s THR 17 N -1.77 4.40 0.28 5.49 -4.23 -1.26 -4.91 115.64 113.63 1qwx s THR 17 Ca 0.35 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 1qwx s THR 17 Cb -0.11 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1qwx s THR 17 CO 0.29 -0.93 1.81 -0.74 -0.54 0.00 0.00 174.62 174.51 1qwx h HIS 18 N -0.17 1.04 -0.45 3.99 2.76 -1.99 -1.08 115.15 119.25 1qwx h HIS 18 Ca -0.45 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.74 1qwx h HIS 18 Cb 1.20 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 1qwx h HIS 18 CO 0.64 0.37 0.21 1.25 -1.30 0.00 0.00 177.93 179.09 1qwx h LEU 19 N 0.88 0.60 -0.32 0.26 5.85 -1.99 -0.39 115.31 120.19 1qwx h LEU 19 Ca 0.49 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.09 1qwx h LEU 19 Cb 0.56 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1qwx h LEU 19 CO -0.29 0.57 0.18 -0.33 -0.34 0.00 0.00 178.44 178.23 1qwx h GLU 20 N 0.59 0.36 -0.56 1.25 5.08 -1.78 -2.00 114.58 117.51 1qwx h GLU 20 Ca 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1qwx h GLU 20 Cb 0.14 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1qwx h GLU 20 CO -0.02 0.24 0.30 1.96 -1.00 0.00 0.00 179.01 180.48 1qwx h GLN 21 N 0.37 0.79 -0.86 2.33 4.20 -0.96 -1.53 115.11 119.44 1qwx h GLN 21 Ca 0.13 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1qwx h GLN 21 Cb 0.02 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.58 1qwx h GLN 21 CO -0.07 0.62 0.53 1.15 -0.67 0.00 0.00 178.83 180.39 1qwx h THR 22 N 0.76 1.02 -0.22 -0.54 2.02 -0.85 -0.14 112.91 114.97 1qwx h THR 22 Ca 0.20 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 1qwx h THR 22 Cb 0.07 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1qwx h THR 22 CO -0.03 0.17 -0.35 0.78 0.37 0.00 0.00 175.52 176.46 1qwx h ASN 23 N 0.96 0.69 -0.93 4.18 2.35 -0.94 -2.90 115.58 118.99 1qwx h ASN 23 Ca 0.38 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1qwx h ASN 23 Cb 0.20 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1qwx h ASN 23 CO -0.18 1.08 0.54 0.40 -1.65 0.00 0.00 177.43 177.61 1qwx h ILE 24 N 0.32 1.26 0.00 2.81 2.04 -1.03 -2.77 117.51 120.14 1qwx h ILE 24 Ca 0.02 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1qwx h ILE 24 Cb 0.94 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1qwx h ILE 24 CO 0.08 0.28 -0.04 0.78 0.00 0.00 0.00 178.15 179.25 1qwx h ASN 25 N 1.29 0.00 -0.01 1.72 2.35 -0.83 -1.44 115.58 118.66 1qwx h ASN 25 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1qwx h ASN 25 Cb -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1qwx h ASN 25 CO -0.06 0.04 0.02 -0.07 -1.65 0.00 0.00 177.43 175.71 1qwx h LEU 26 N 0.00 0.00 -7.58 1.61 3.38 -1.31 -3.46 115.31 107.94 1qwx h LEU 26 Ca -0.00 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.18 1qwx h LEU 26 Cb 0.20 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.67 1qwx h LEU 26 CO 0.01 0.00 0.34 -0.36 0.09 0.00 0.00 178.44 178.51 1qwx s PHE 27 N -4.41 4.15 0.00 1.13 0.40 -0.55 -5.01 117.98 113.70 1qwx s PHE 27 Ca -0.05 -2.62 0.00 0.00 -0.60 0.00 0.00 56.93 53.66 1qwx s PHE 27 Cb 0.14 -3.77 0.00 0.00 0.51 0.00 0.00 43.02 39.90 1qwx s PHE 27 CO 0.48 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.88 1qwx n GLY 29 N 2.87 -1.79 3.36 4.36 0.00 -0.21 -4.70 105.19 109.08 1qwx n GLY 29 Ca 0.22 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1qwx n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qwx s ASN 30 N -4.00 4.23 0.07 1.61 0.01 -1.26 -0.82 114.94 114.78 1qwx s ASN 30 Ca 0.00 -0.33 0.04 0.00 -0.71 0.00 0.00 52.86 51.85 1qwx s ASN 30 Cb 0.00 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.94 1qwx s ASN 30 CO 0.00 0.08 -0.11 0.26 -1.51 0.00 0.00 177.10 175.82 1qwx s TRP 31 N 0.86 1.00 0.02 2.20 0.52 -0.19 -0.47 118.94 122.88 1qwx s TRP 31 Ca -0.02 -0.53 -0.07 0.00 0.02 0.00 0.00 56.10 55.50 1qwx s TRP 31 Cb -0.15 -0.56 -0.00 0.00 -1.15 0.00 0.00 33.47 31.60 1qwx s TRP 31 CO 0.01 -0.00 0.12 0.45 0.02 0.00 0.00 176.95 177.55 1qwx s SER 32 N -1.89 0.10 -0.14 2.95 0.15 0.32 -0.67 113.70 114.52 1qwx s SER 32 Ca -0.02 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.24 1qwx s SER 32 Cb -0.08 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1qwx s SER 32 CO 0.01 -0.45 -0.07 0.21 1.20 0.00 0.00 173.24 174.13 1qwx s ASN 33 N -1.80 2.48 0.14 5.45 3.84 0.03 -0.87 114.94 124.20 1qwx s ASN 33 Ca -0.09 -0.46 -0.15 0.00 0.21 0.00 0.00 52.86 52.37 1qwx s ASN 33 Cb -0.04 -0.90 0.01 0.00 -0.55 0.00 0.00 41.25 39.77 1qwx s ASN 33 CO -0.02 -0.14 1.67 -0.74 -2.79 0.00 0.00 177.10 175.08 1qwx h HIS 34 N 8.14 0.69 -0.51 0.43 -0.00 -1.90 -1.66 115.15 120.35 1qwx h HIS 34 Ca -0.28 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 59.93 1qwx h HIS 34 Cb 1.12 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.31 1qwx h HIS 34 CO 0.46 0.62 -0.02 1.96 -0.00 0.00 0.00 177.93 180.96 1qwx h GLN 35 N 0.56 0.88 0.00 5.26 1.08 -1.96 -2.46 115.11 118.47 1qwx h GLN 35 Ca 0.14 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1qwx h GLN 35 Cb 0.25 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1qwx h GLN 35 CO -0.01 0.89 -0.22 1.28 -0.95 0.00 0.00 178.83 179.82 1qwx n LEU 36 N -4.19 0.44 -3.75 1.46 4.77 -1.20 -4.94 117.00 109.59 1qwx n LEU 36 Ca 0.02 0.36 -0.23 0.00 -0.03 0.00 0.00 56.01 56.14 1qwx n LEU 36 Cb 0.33 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1qwx n LEU 36 CO 0.43 -0.03 -0.05 0.00 -1.33 0.00 0.00 177.39 176.41 1qwx n GLN 37 N -1.80 -4.92 -4.36 3.23 6.02 -0.65 -4.89 117.38 110.00 1qwx n GLN 37 Ca 0.06 0.60 -0.20 0.00 -0.01 0.00 0.00 57.00 57.45 1qwx n GLN 37 Cb 0.38 -5.19 -0.15 0.00 1.02 0.00 0.00 30.24 26.30 1qwx n GLN 37 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qwx s LYS 38 N -6.13 0.87 0.13 -1.09 2.20 -1.02 -1.40 119.74 113.30 1qwx s LYS 38 Ca 0.12 -0.29 0.10 0.00 -0.36 0.00 0.00 55.97 55.54 1qwx s LYS 38 Cb -0.06 -0.82 -0.04 0.00 -1.51 0.00 0.00 37.83 35.40 1qwx s LYS 38 CO 0.82 0.12 -0.26 0.45 -0.36 0.00 0.00 175.35 176.13 1qwx s SER 39 N 0.11 3.17 -0.03 1.43 0.15 0.12 -0.79 113.70 117.87 1qwx s SER 39 Ca -0.02 -0.74 0.05 0.00 0.70 0.00 0.00 55.95 55.94 1qwx s SER 39 Cb -0.07 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1qwx s SER 39 CO 0.00 0.15 -0.17 0.27 1.20 0.00 0.00 173.24 174.69 1qwx s ILE 40 N -1.10 1.41 -0.32 6.45 -4.36 0.15 -0.99 121.20 122.45 1qwx s ILE 40 Ca 0.13 -0.74 -0.03 0.00 -0.26 0.00 0.00 60.65 59.75 1qwx s ILE 40 Cb -0.10 -1.20 0.05 0.00 1.25 0.00 0.00 42.46 42.46 1qwx s ILE 40 CO 0.06 0.40 0.04 0.00 0.24 0.00 0.00 174.94 175.68 1qwx s ILE 42 N 1.30 4.91 0.10 0.00 1.01 -0.00 -0.79 121.20 127.73 1qwx s ILE 42 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1qwx s ILE 42 Cb -0.20 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1qwx s ILE 42 CO 0.00 0.26 -0.05 -0.13 0.00 0.00 0.00 174.94 175.03 1qwx s ARG 43 N 1.70 0.83 -0.54 2.79 0.52 -0.47 -1.05 118.95 122.72 1qwx s ARG 43 Ca 0.07 -1.34 -0.24 0.00 -0.52 0.00 0.00 55.73 53.70 1qwx s ARG 43 Cb -0.16 -0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.24 1qwx s ARG 43 CO 0.08 -0.06 0.91 -1.58 0.02 0.00 0.00 175.30 174.67 1qwx s HIS 44 N -3.70 2.82 0.00 -0.53 5.65 -1.26 -1.03 115.29 117.24 1qwx s HIS 44 Ca 0.13 -0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.40 1qwx s HIS 44 Cb 0.06 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.45 1qwx s HIS 44 CO -0.05 -1.31 0.00 0.41 -0.65 0.00 0.00 174.74 173.15 1qwx n GLY 45 N 5.11 1.31 0.00 1.59 0.00 -0.11 -4.90 105.19 108.19 1qwx n GLY 45 Ca 0.01 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1qwx n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qwx n ASP 46 N 0.00 0.00 0.21 1.61 3.85 -1.26 -4.59 116.55 116.37 1qwx n ASP 46 Ca 0.00 -0.54 0.15 0.00 -0.71 0.00 0.00 54.79 53.69 1qwx n ASP 46 Cb 0.00 0.00 0.70 0.00 -1.35 0.00 0.00 41.12 40.47 1qwx n ASP 46 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1qwx h ASP 47 N 0.00 0.00 0.83 -1.12 3.32 -2.00 -1.02 116.42 116.42 1qwx h ASP 47 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qwx h ASP 47 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qwx h ASP 47 CO 0.00 0.00 -0.28 0.35 -1.72 0.00 0.00 179.24 177.59 1qwx n THR 48 N -2.59 0.10 -2.58 0.35 -2.24 -1.26 -4.93 114.28 101.14 1qwx n THR 48 Ca -0.00 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1qwx n THR 48 Cb 0.16 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1qwx n THR 48 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1qwx s SER 49 N -3.30 6.45 0.77 3.42 0.01 -0.39 -5.08 113.70 115.58 1qwx s SER 49 Ca 0.11 1.91 -0.07 0.00 1.31 0.00 0.00 55.95 59.21 1qwx s SER 49 Cb 0.17 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.95 1qwx s SER 49 CO 0.63 -0.71 1.09 -1.00 0.41 0.00 0.00 173.24 173.66 1qwx s HIS 50 N -1.98 2.25 -1.31 2.43 3.76 -1.26 -4.61 115.29 114.56 1qwx s HIS 50 Ca 0.66 0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 55.78 1qwx s HIS 50 Cb -0.16 -3.38 0.01 0.00 1.11 0.00 0.00 32.58 30.16 1qwx s HIS 50 CO 0.20 -1.80 0.81 0.09 -0.85 0.00 0.00 174.74 173.19 1qwx n ASN 51 N -3.11 -1.96 -4.77 1.40 4.13 -1.26 -4.61 115.26 105.08 1qwx n ASN 51 Ca 0.12 -0.76 -0.39 0.00 1.68 0.00 0.00 54.58 55.22 1qwx n ASN 51 Cb 0.60 -4.31 -0.06 0.00 -1.54 0.00 0.00 39.78 34.48 1qwx n ASN 51 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1qwx s GLN 52 N -5.93 4.58 0.04 3.52 -0.21 -1.26 -1.40 119.66 118.99 1qwx s GLN 52 Ca 0.10 1.17 0.05 0.00 0.02 0.00 0.00 55.36 56.69 1qwx s GLN 52 Cb -0.05 -3.27 -0.02 0.00 1.00 0.00 0.00 33.01 30.67 1qwx s GLN 52 CO 0.79 0.54 -0.14 0.71 -2.12 0.00 0.00 175.29 175.08 1qwx s TYR 53 N -1.04 1.19 -0.17 0.91 1.51 -0.14 -2.43 117.35 117.19 1qwx s TYR 53 Ca 0.36 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1qwx s TYR 53 Cb -0.23 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1qwx s TYR 53 CO 0.26 0.03 0.02 -1.58 -1.11 0.00 0.00 175.55 173.17 1qwx s HIS 54 N -0.89 3.14 0.00 2.71 5.65 0.03 -1.26 115.29 124.67 1qwx s HIS 54 Ca 0.01 -0.12 -0.30 0.00 0.25 0.00 0.00 55.06 54.90 1qwx s HIS 54 Cb -0.08 -2.03 -0.04 0.00 -1.18 0.00 0.00 32.58 29.25 1qwx s HIS 54 CO 0.01 0.05 1.06 0.42 -0.65 0.00 0.00 174.74 175.62 1qwx s ILE 55 N 0.43 4.60 -0.12 0.89 1.01 -1.26 -1.48 121.20 125.26 1qwx s ILE 55 Ca 0.00 1.87 0.06 0.00 0.00 0.00 0.00 60.65 62.57 1qwx s ILE 55 Cb -0.13 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 37.91 1qwx s ILE 55 CO 0.02 0.12 0.35 0.18 0.00 0.00 0.00 174.94 175.61 1qwx n LEU 56 N 4.12 1.61 -3.64 2.97 4.77 0.93 -4.96 117.00 122.79 1qwx n LEU 56 Ca 0.07 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1qwx n LEU 56 Cb 0.49 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1qwx n LEU 56 CO 0.53 0.64 0.35 0.12 -1.33 0.00 0.00 177.39 177.70 1qwx s PHE 57 N -2.56 -0.71 -0.27 -1.77 5.36 -1.07 -4.99 117.98 111.98 1qwx s PHE 57 Ca -0.15 1.70 0.03 0.00 -0.96 0.00 0.00 56.93 57.54 1qwx s PHE 57 Cb 0.07 0.25 0.07 0.00 -0.34 0.00 0.00 43.02 43.07 1qwx s PHE 57 CO 0.78 -0.36 -0.08 0.42 -1.46 0.00 0.00 175.22 174.51 1qwx s ILE 58 N 0.22 2.16 -0.62 3.12 1.01 -1.26 -1.49 121.20 124.34 1qwx s ILE 58 Ca -0.01 -1.74 -0.19 0.00 0.00 0.00 0.00 60.65 58.71 1qwx s ILE 58 Cb -0.04 -2.33 0.11 0.00 0.01 0.00 0.00 42.46 40.21 1qwx s ILE 58 CO 0.02 -0.13 0.74 -0.62 0.00 0.00 0.00 174.94 174.95 1qwx s ASP 59 N 1.08 6.23 0.13 3.58 -1.08 0.57 -4.89 116.67 122.29 1qwx s ASP 59 Ca -0.05 -1.51 0.27 0.00 -0.52 0.00 0.00 52.55 50.74 1qwx s ASP 59 Cb -0.20 -2.31 0.90 0.00 -1.46 0.00 0.00 42.92 39.85 1qwx s ASP 59 CO -0.06 -1.10 1.78 0.35 0.52 0.00 0.00 175.17 176.66 1qwx n THR 60 N 5.49 0.36 0.06 1.71 -2.24 -1.26 -1.04 114.28 117.36 1qwx n THR 60 Ca -0.07 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1qwx n THR 60 Cb 0.43 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1qwx n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwx h ALA 61 N 2.69 0.38 -0.01 6.98 0.00 -1.96 -3.38 119.26 123.96 1qwx h ALA 61 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1qwx h ALA 61 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qwx h ALA 61 CO 0.00 0.80 0.00 0.72 0.00 0.00 0.00 179.25 180.77 1qwx n HIS 62 N -3.77 0.01 -3.38 0.00 8.25 -1.19 -5.03 115.22 110.12 1qwx n HIS 62 Ca -0.07 -0.07 -0.18 0.00 -0.26 0.00 0.00 57.72 57.14 1qwx n HIS 62 Cb 0.82 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.99 1qwx n HIS 62 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1qwx n GLN 63 N 0.09 -3.22 -4.25 -0.41 3.00 -0.21 -4.72 117.38 107.66 1qwx n GLN 63 Ca 0.02 0.79 -0.17 0.00 -0.01 0.00 0.00 57.00 57.63 1qwx n GLN 63 Cb 0.10 -5.58 -0.14 0.00 0.00 0.00 0.00 30.24 24.61 1qwx n GLN 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1qwx s ARG 64 N -4.91 0.59 0.05 -1.09 0.52 -0.97 -2.27 118.95 110.87 1qwx s ARG 64 Ca 0.33 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.28 1qwx s ARG 64 Cb -0.06 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 34.84 1qwx s ARG 64 CO 0.76 0.15 -0.19 0.96 0.02 0.00 0.00 175.30 177.00 1qwx s ILE 65 N -0.32 1.53 -0.01 1.52 -4.36 -0.81 -0.32 121.20 118.43 1qwx s ILE 65 Ca 0.01 -1.20 0.08 0.00 -0.26 0.00 0.00 60.65 59.28 1qwx s ILE 65 Cb -0.04 -1.35 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 1qwx s ILE 65 CO -0.00 0.11 -0.24 -0.54 0.24 0.00 0.00 174.94 174.51 1qwx s LYS 66 N -1.27 1.94 0.19 0.37 1.02 -0.55 -0.99 119.74 120.45 1qwx s LYS 66 Ca 0.06 -0.88 -0.18 0.00 0.02 0.00 0.00 55.97 54.98 1qwx s LYS 66 Cb -0.09 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1qwx s LYS 66 CO 0.02 0.52 0.54 -0.59 -0.92 0.00 0.00 175.35 174.91 1qwx s PHE 67 N -0.59 -0.17 0.07 3.18 -0.12 -0.44 -0.05 117.98 119.87 1qwx s PHE 67 Ca 0.09 -0.17 -0.07 0.00 -0.05 0.00 0.00 56.93 56.74 1qwx s PHE 67 Cb -0.09 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1qwx s PHE 67 CO -0.01 -0.92 0.13 -1.54 -0.05 0.00 0.00 175.22 172.84 1qwx s SER 68 N -2.86 0.20 0.60 1.98 1.04 -0.55 -0.86 113.70 113.25 1qwx s SER 68 Ca 0.08 -0.69 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 1qwx s SER 68 Cb -0.01 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1qwx s SER 68 CO -0.04 -0.66 1.20 -0.94 0.98 0.00 0.00 173.24 173.79 1qwx s SER 69 N -2.71 5.17 0.21 7.02 1.04 -1.26 -0.79 113.70 122.38 1qwx s SER 69 Ca 0.03 2.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.71 1qwx s SER 69 Cb 0.04 -2.60 0.26 0.00 0.10 0.00 0.00 66.02 63.82 1qwx s SER 69 CO -0.09 -1.61 1.65 0.40 0.98 0.00 0.00 173.24 174.57 1qwx h ILE 70 N 0.82 0.47 -0.16 -1.02 1.08 -1.82 -2.91 117.51 113.97 1qwx h ILE 70 Ca -0.50 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1qwx h ILE 70 Cb 1.29 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1qwx h ILE 70 CO 0.55 0.01 0.00 0.47 -0.69 0.00 0.00 178.15 178.49 1qwx n ASP 71 N -5.33 2.81 -3.58 1.72 8.00 -1.26 -4.70 116.55 114.22 1qwx n ASP 71 Ca 0.08 -1.84 -0.27 0.00 0.71 0.00 0.00 54.79 53.47 1qwx n ASP 71 Cb 0.33 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 1qwx n ASP 71 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qwx n ASN 72 N 1.10 1.96 -0.25 -2.24 2.85 -1.10 -4.94 115.26 112.65 1qwx n ASN 72 Ca 0.13 -2.99 0.12 0.00 -0.11 0.00 0.00 54.58 51.73 1qwx n ASN 72 Cb 0.49 -0.67 0.60 0.00 1.24 0.00 0.00 39.78 41.44 1qwx n ASN 72 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1qwx n GLU 73 N 1.86 1.33 0.17 1.20 4.71 -1.26 -3.32 120.64 125.33 1qwx n GLU 73 Ca 0.25 -0.49 0.03 0.00 -0.01 0.00 0.00 57.16 56.94 1qwx n GLU 73 Cb 0.42 -1.41 0.27 0.00 -1.01 0.00 0.00 31.44 29.71 1qwx n GLU 73 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1qwx h GLU 74 N 1.08 0.00 -4.68 3.49 4.57 -1.94 -3.41 114.58 113.69 1qwx h GLU 74 Ca 0.00 0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.49 1qwx h GLU 74 Cb 0.23 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 28.56 1qwx h GLU 74 CO 0.00 0.46 -0.57 0.42 -1.18 0.00 0.00 179.01 178.14 1qwx s ILE 75 N -3.61 4.20 -0.22 2.32 1.01 -1.21 -3.84 121.20 119.85 1qwx s ILE 75 Ca -0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 1qwx s ILE 75 Cb 0.12 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 1qwx s ILE 75 CO 0.71 -0.12 0.17 -0.63 0.00 0.00 0.00 174.94 175.07 1qwx s ILE 76 N 1.50 5.36 -0.09 2.92 1.09 -0.20 -4.45 121.20 127.34 1qwx s ILE 76 Ca 0.01 0.23 -0.15 0.00 -1.10 0.00 0.00 60.65 59.64 1qwx s ILE 76 Cb -0.19 -3.51 -0.05 0.00 -1.06 0.00 0.00 42.46 37.66 1qwx s ILE 76 CO 0.05 0.37 0.38 -0.31 -0.10 0.00 0.00 174.94 175.32 1qwx s TYR 77 N 0.86 3.58 -0.11 3.97 2.02 -0.04 -0.62 117.35 127.02 1qwx s TYR 77 Ca 0.09 0.82 0.02 0.00 -0.37 0.00 0.00 57.07 57.62 1qwx s TYR 77 Cb -0.13 -2.36 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1qwx s TYR 77 CO 0.03 0.39 -0.16 0.42 -1.57 0.00 0.00 175.55 174.66 1qwx s ILE 78 N -0.13 1.56 -0.09 2.71 1.09 -0.22 -1.33 121.20 124.79 1qwx s ILE 78 Ca 0.22 -0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1qwx s ILE 78 Cb -0.15 -1.42 -0.03 0.00 -1.06 0.00 0.00 42.46 39.80 1qwx s ILE 78 CO 0.09 0.45 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.58 1qwx s LEU 79 N 0.95 3.31 0.04 2.97 1.43 -0.16 -0.86 118.68 126.36 1qwx s LEU 79 Ca -0.07 0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1qwx s LEU 79 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1qwx s LEU 79 CO -0.01 0.32 -0.20 -1.81 0.23 0.00 0.00 176.35 174.88 1qwx s ASP 80 N -0.55 2.34 0.03 2.29 1.01 -0.24 -1.92 116.67 119.63 1qwx s ASP 80 Ca 0.09 -0.50 -0.26 0.00 0.71 0.00 0.00 52.55 52.59 1qwx s ASP 80 Cb -0.12 -0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 1qwx s ASP 80 CO 0.02 0.15 0.79 -0.47 0.21 0.00 0.00 175.17 175.87 1qwx s TYR 81 N -0.77 3.71 -0.05 4.23 5.04 -0.96 -0.64 117.35 127.90 1qwx s TYR 81 Ca 0.07 1.49 -0.08 0.00 -2.44 0.00 0.00 57.07 56.10 1qwx s TYR 81 Cb -0.09 -2.86 -0.03 0.00 0.35 0.00 0.00 41.96 39.33 1qwx s TYR 81 CO 0.01 0.21 -0.16 -3.47 -1.34 0.00 0.00 175.55 170.81 1qwx n ASP 82 N 3.06 1.23 -1.77 4.32 -0.08 -0.81 -4.92 116.55 117.58 1qwx n ASP 82 Ca -0.01 0.19 -0.04 0.00 -1.51 0.00 0.00 54.79 53.42 1qwx n ASP 82 Cb 0.50 -0.51 0.01 0.00 2.34 0.00 0.00 41.12 43.46 1qwx n ASP 82 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1qwx n ASP 83 N -3.70 -0.90 0.27 1.67 3.85 -0.64 -4.97 116.55 112.14 1qwx n ASP 83 Ca -0.06 -1.70 0.16 0.00 -0.71 0.00 0.00 54.79 52.48 1qwx n ASP 83 Cb 0.23 1.52 0.90 0.00 -1.35 0.00 0.00 41.12 42.42 1qwx n ASP 83 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1qwx h THR 84 N 1.42 0.49 -0.07 2.12 2.02 -2.00 -2.38 112.91 114.50 1qwx h THR 84 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1qwx h THR 84 Cb 0.52 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1qwx h THR 84 CO 0.18 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1qwx n GLN 85 N -3.80 1.29 -3.76 6.66 1.13 -1.26 -4.86 117.38 112.78 1qwx n GLN 85 Ca -0.02 -1.50 -0.13 0.00 -1.94 0.00 0.00 57.00 53.42 1qwx n GLN 85 Cb 0.16 -1.30 -0.13 0.00 0.11 0.00 0.00 30.24 29.07 1qwx n GLN 85 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1qwx s HIS 86 N -1.23 -0.22 0.20 1.08 3.76 -0.90 -0.57 115.29 117.42 1qwx s HIS 86 Ca 0.19 0.56 0.05 0.00 -0.15 0.00 0.00 55.06 55.71 1qwx s HIS 86 Cb 0.13 -0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.77 1qwx s HIS 86 CO 0.19 -0.16 -0.07 0.96 -0.85 0.00 0.00 174.74 174.80 1qwx s ILE 87 N 0.90 1.30 0.05 0.60 -4.36 -0.63 -1.62 121.20 117.44 1qwx s ILE 87 Ca -0.07 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 1qwx s ILE 87 Cb -0.08 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1qwx s ILE 87 CO -0.05 -0.52 0.03 0.18 0.24 0.00 0.00 174.94 174.82 1qwx n LEU 88 N -0.35 0.00 -3.65 0.37 4.77 0.18 -0.55 117.00 117.77 1qwx n LEU 88 Ca -0.07 -0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 55.61 1qwx n LEU 88 Cb 0.62 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1qwx n LEU 88 CO 0.35 -0.24 1.09 -1.58 -1.33 0.00 0.00 177.39 175.68 1qwx s GLN 90 N -2.21 0.08 -0.19 3.23 0.74 -0.04 -1.08 119.66 120.20 1qwx s GLN 90 Ca 0.02 0.11 -0.01 0.00 0.05 0.00 0.00 55.36 55.53 1qwx s GLN 90 Cb -0.00 0.03 -0.00 0.00 1.10 0.00 0.00 33.01 34.14 1qwx s GLN 90 CO 0.02 -0.01 -0.11 -0.08 -0.55 0.00 0.00 175.29 174.55 1qwx s THR 91 N 0.35 2.87 0.08 -0.34 -1.32 -1.26 -1.06 115.64 114.96 1qwx s THR 91 Ca 0.02 -0.67 0.07 0.00 -1.21 0.00 0.00 61.69 59.90 1qwx s THR 91 Cb -0.04 -2.26 -0.03 0.00 -1.51 0.00 0.00 72.50 68.66 1qwx s THR 91 CO -0.14 0.48 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.64 1qwx s SER 92 N 1.20 2.13 -0.10 8.08 1.04 0.21 -4.71 113.70 121.55 1qwx s SER 92 Ca 0.02 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.86 1qwx s SER 92 Cb -0.14 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1qwx s SER 92 CO -0.04 0.03 -0.16 -0.55 0.98 0.00 0.00 173.24 173.49 1qwx s SER 93 N -1.64 2.44 0.41 7.02 0.15 -1.26 -1.03 113.70 119.79 1qwx s SER 93 Ca 0.03 -0.43 0.14 0.00 0.70 0.00 0.00 55.95 56.39 1qwx s SER 93 Cb -0.09 -1.10 1.00 0.00 -1.71 0.00 0.00 66.02 64.11 1qwx s SER 93 CO 0.03 0.04 1.91 0.50 1.20 0.00 0.00 173.24 176.92 1qwx h LYS 94 N 7.22 0.46 0.00 5.44 3.64 -1.96 -2.47 116.57 128.89 1qwx h LYS 94 Ca -0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1qwx h LYS 94 Cb 1.19 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1qwx h LYS 94 CO 0.49 0.30 0.00 1.04 -2.27 0.00 0.00 179.45 179.01 1qwx n GLN 95 N -4.49 0.25 -2.31 1.90 1.13 -1.26 -4.86 117.38 107.73 1qwx n GLN 95 Ca 0.15 0.26 -0.25 0.00 -1.94 0.00 0.00 57.00 55.22 1qwx n GLN 95 Cb 0.51 -1.82 0.06 0.00 0.11 0.00 0.00 30.24 29.10 1qwx n GLN 95 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1qwx s GLY 96 N -3.57 1.71 -0.12 1.08 0.00 -0.93 -5.09 107.32 100.40 1qwx s GLY 96 Ca 0.09 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 1qwx s GLY 96 CO 0.55 -0.63 0.09 -0.42 0.00 0.00 0.00 173.10 172.69 1qwx s ILE 97 N -3.12 5.04 0.00 0.90 -1.09 -1.26 -5.00 121.20 116.67 1qwx s ILE 97 Ca 0.59 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1qwx s ILE 97 Cb -0.11 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1qwx s ILE 97 CO 0.43 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 175.33 1qwx n GLY 98 N 2.37 -1.71 3.19 6.18 0.00 -1.26 -4.94 105.19 109.02 1qwx n GLY 98 Ca -0.19 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 1qwx n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwx s THR 99 N -0.01 2.03 -0.15 2.61 2.01 -1.26 -5.04 115.64 115.82 1qwx s THR 99 Ca 0.00 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 60.74 1qwx s THR 99 Cb 0.00 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1qwx s THR 99 CO 0.00 0.55 0.94 -0.55 -0.69 0.00 0.00 174.62 174.87 1qwx s SER 100 N 0.57 7.11 0.40 3.53 0.15 -1.26 -5.02 113.70 119.18 1qwx s SER 100 Ca -0.13 1.37 -0.26 0.00 0.70 0.00 0.00 55.95 57.62 1qwx s SER 100 Cb -0.17 -2.51 -0.09 0.00 -1.71 0.00 0.00 66.02 61.54 1qwx s SER 100 CO 0.04 -0.46 1.30 -0.13 1.20 0.00 0.00 173.24 175.19 1qwx s ARG 101 N 2.25 3.98 0.65 5.44 0.52 -1.26 -4.80 118.95 125.73 1qwx s ARG 101 Ca 0.44 2.16 -0.17 0.00 -0.52 0.00 0.00 55.73 57.63 1qwx s ARG 101 Cb -0.17 -2.77 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 1qwx s ARG 101 CO 0.14 -0.48 1.23 -2.14 0.02 0.00 0.00 175.30 174.06 1qwx s PRO 102 N -2.23 2.61 -0.13 3.54 0.02 -1.26 -4.81 135.00 132.74 1qwx s PRO 102 Ca 0.57 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 1qwx s PRO 102 Cb -0.38 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 1qwx s PRO 102 CO 0.49 -1.50 -0.05 0.42 -0.33 0.00 0.00 177.00 176.03 1qwx s ILE 103 N -1.67 3.83 -0.09 2.83 -1.09 -1.26 -4.96 121.20 118.79 1qwx s ILE 103 Ca 0.78 -0.39 -0.28 0.00 -2.23 0.00 0.00 60.65 58.53 1qwx s ILE 103 Cb -0.32 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.89 1qwx s ILE 103 CO 0.39 0.52 0.91 -0.69 -1.23 0.00 0.00 174.94 174.84 1qwx s VAL 104 N 0.05 4.87 -0.06 2.92 1.01 -1.26 -4.31 120.40 123.61 1qwx s VAL 104 Ca -0.00 1.86 0.03 0.00 0.00 0.00 0.00 61.98 63.87 1qwx s VAL 104 Cb -0.13 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1qwx s VAL 104 CO 0.03 0.08 -0.15 -0.31 0.00 0.00 0.00 175.10 174.75 1qwx s TYR 105 N 1.63 2.70 -0.03 5.22 2.02 0.29 -4.68 117.35 124.48 1qwx s TYR 105 Ca 0.45 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1qwx s TYR 105 Cb -0.18 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1qwx s TYR 105 CO 0.19 0.11 -0.00 -2.00 -1.57 0.00 0.00 175.55 172.28 1qwx s GLU 106 N -0.55 2.86 0.20 -0.62 2.12 -0.05 -1.61 118.70 121.06 1qwx s GLU 106 Ca 0.08 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1qwx s GLU 106 Cb -0.11 -2.71 -0.09 0.00 0.26 0.00 0.00 34.13 31.47 1qwx s GLU 106 CO 0.01 0.66 1.35 0.50 -0.54 0.00 0.00 175.26 177.23 1qwx s ARG 107 N -1.28 4.36 0.00 4.30 3.52 0.27 -0.52 118.95 129.59 1qwx s ARG 107 Ca 0.17 2.11 0.24 0.00 -0.13 0.00 0.00 55.73 58.13 1qwx s ARG 107 Cb -0.11 -3.18 1.45 0.00 -1.56 0.00 0.00 34.95 31.55 1qwx s ARG 107 CO 0.07 -0.31 1.82 1.28 -0.81 0.00 0.00 175.30 177.35