#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qys s ILE 4 N 0.00 4.83 -0.32 0.53 1.01 -1.21 -4.74 121.20 121.30 1qys s ILE 4 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 1qys s ILE 4 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1qys s ILE 4 CO 0.00 -0.54 0.21 -1.58 0.00 0.00 0.00 174.94 173.03 1qys s GLN 5 N 2.83 3.53 -0.30 2.79 2.00 -1.10 -1.95 119.66 127.46 1qys s GLN 5 Ca 0.23 -0.61 -0.08 0.00 -2.00 0.00 0.00 55.36 52.90 1qys s GLN 5 Cb -0.14 -3.73 -0.00 0.00 0.80 0.00 0.00 33.01 29.94 1qys s GLN 5 CO 0.18 -0.40 0.12 0.08 -0.50 0.00 0.00 175.29 174.78 1qys s VAL 6 N 1.70 4.35 -0.27 1.34 1.01 -0.67 -0.96 120.40 126.89 1qys s VAL 6 Ca 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1qys s VAL 6 Cb -0.17 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1qys s VAL 6 CO 0.10 0.10 0.00 -1.10 0.00 0.00 0.00 175.10 174.20 1qys s GLN 7 N 1.57 2.94 -0.24 2.72 -1.52 0.32 -1.47 119.66 123.98 1qys s GLN 7 Ca 0.04 -0.93 -0.04 0.00 -1.95 0.00 0.00 55.36 52.48 1qys s GLN 7 Cb -0.17 -3.16 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 1qys s GLN 7 CO 0.05 -0.43 -0.02 0.08 -0.25 0.00 0.00 175.29 174.72 1qys s VAL 8 N 1.40 3.38 -0.26 1.09 1.01 0.53 -0.83 120.40 126.72 1qys s VAL 8 Ca 0.01 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1qys s VAL 8 Cb -0.17 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.65 1qys s VAL 8 CO -0.01 0.30 -0.07 0.21 0.00 0.00 0.00 175.10 175.53 1qys s ASN 9 N 1.45 4.22 -0.27 3.32 2.47 0.80 -0.30 114.94 126.63 1qys s ASN 9 Ca 0.04 -1.38 -0.07 0.00 0.42 0.00 0.00 52.86 51.87 1qys s ASN 9 Cb -0.15 -1.39 -0.01 0.00 -1.45 0.00 0.00 41.25 38.25 1qys s ASN 9 CO -0.02 -0.23 0.08 -0.63 -3.72 0.00 0.00 177.10 172.57 1qys s ILE 10 N 1.22 4.20 -0.01 -5.21 1.01 -0.16 -1.42 121.20 120.83 1qys s ILE 10 Ca -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1qys s ILE 10 Cb -0.19 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1qys s ILE 10 CO -0.06 0.23 -0.04 -0.62 0.00 0.00 0.00 174.94 174.44 1qys s ASP 11 N 1.57 4.80 -0.42 3.58 -1.08 -1.14 -0.57 116.67 123.42 1qys s ASP 11 Ca 0.05 -0.08 -0.01 0.00 -0.52 0.00 0.00 52.55 51.99 1qys s ASP 11 Cb -0.16 -1.18 0.20 0.00 -1.46 0.00 0.00 42.92 40.32 1qys s ASP 11 CO 0.03 0.29 0.93 -0.62 0.52 0.00 0.00 175.17 176.33 1qys s ASP 12 N -1.38 -0.81 -0.03 -0.34 2.15 -0.60 -4.06 116.67 111.60 1qys s ASP 12 Ca 0.17 -0.96 -0.02 0.00 0.43 0.00 0.00 52.55 52.17 1qys s ASP 12 Cb -0.11 1.06 0.01 0.00 -0.30 0.00 0.00 42.92 43.58 1qys s ASP 12 CO 0.08 -0.03 0.04 0.59 -0.17 0.00 0.00 175.17 175.67 1qys n ASN 13 N 2.77 -5.14 -1.03 -0.34 4.13 -1.26 -3.37 115.26 111.02 1qys n ASN 13 Ca 0.14 1.07 -0.12 0.00 1.68 0.00 0.00 54.58 57.36 1qys n ASN 13 Cb 0.61 -2.26 -0.05 0.00 -1.54 0.00 0.00 39.78 36.54 1qys n ASN 13 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qys n GLY 14 N 2.28 1.14 2.78 7.41 0.00 -1.26 -4.91 105.19 112.63 1qys n GLY 14 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1qys n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qys s LYS 15 N -2.90 0.26 -0.16 1.61 0.00 -1.22 -5.13 119.74 112.20 1qys s LYS 15 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 55.97 56.14 1qys s LYS 15 Cb 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 37.83 36.92 1qys s LYS 15 CO 0.00 -0.76 -0.14 1.21 0.00 0.00 0.00 175.35 175.66 1qys s ASN 16 N 2.38 3.77 -0.12 0.03 2.47 -1.26 -1.55 114.94 120.66 1qys s ASN 16 Ca 0.09 -0.44 -0.00 0.00 0.42 0.00 0.00 52.86 52.92 1qys s ASN 16 Cb -0.15 -1.59 -0.02 0.00 -1.45 0.00 0.00 41.25 38.04 1qys s ASN 16 CO -0.19 0.09 -0.10 0.72 -3.72 0.00 0.00 177.10 173.90 1qys s PHE 17 N 0.80 2.87 -0.29 0.43 -0.00 0.27 -4.99 117.98 117.06 1qys s PHE 17 Ca -0.05 -0.40 0.01 0.00 -0.00 0.00 0.00 56.93 56.49 1qys s PHE 17 Cb -0.15 -1.83 0.09 0.00 -0.00 0.00 0.00 43.02 41.13 1qys s PHE 17 CO 0.00 -0.04 0.03 0.34 -0.00 0.00 0.00 175.22 175.55 1qys s ASP 18 N 0.06 4.21 -0.22 1.98 2.15 -1.26 -0.99 116.67 122.60 1qys s ASP 18 Ca -0.03 -1.65 -0.10 0.00 0.43 0.00 0.00 52.55 51.20 1qys s ASP 18 Cb -0.14 -1.22 -0.05 0.00 -0.30 0.00 0.00 42.92 41.21 1qys s ASP 18 CO 0.04 -0.34 0.14 -0.31 -0.17 0.00 0.00 175.17 174.52 1qys s TYR 19 N 1.31 3.31 -0.12 -5.34 2.02 0.59 -4.96 117.35 114.15 1qys s TYR 19 Ca 0.05 0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1qys s TYR 19 Cb -0.18 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1qys s TYR 19 CO -0.13 0.10 -0.16 0.99 -1.57 0.00 0.00 175.55 174.78 1qys s THR 20 N 0.85 1.58 0.22 -0.71 2.01 -1.26 -0.35 115.64 117.98 1qys s THR 20 Ca 0.07 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1qys s THR 20 Cb -0.13 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1qys s THR 20 CO 0.03 0.46 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.02 1qys s TYR 21 N 1.10 1.66 -0.13 4.92 1.51 -0.54 -5.01 117.35 120.85 1qys s TYR 21 Ca -0.04 -0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 55.27 1qys s TYR 21 Cb -0.14 -0.87 0.05 0.00 -0.11 0.00 0.00 41.96 40.89 1qys s TYR 21 CO -0.04 0.21 0.08 0.99 -1.11 0.00 0.00 175.55 175.68 1qys s THR 22 N -3.14 -0.07 0.41 -0.71 2.01 -1.26 -1.68 115.64 111.20 1qys s THR 22 Ca 0.24 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.32 1qys s THR 22 Cb 0.02 -0.46 -0.07 0.00 0.01 0.00 0.00 72.50 72.00 1qys s THR 22 CO 0.07 -0.14 0.04 0.68 -0.69 0.00 0.00 174.62 174.59 1qys s VAL 23 N 2.14 2.10 -0.50 3.82 -7.23 -0.82 -5.01 120.40 114.89 1qys s VAL 23 Ca 0.03 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 1qys s VAL 23 Cb -0.15 -2.98 0.19 0.00 0.56 0.00 0.00 36.38 34.00 1qys s VAL 23 CO -0.07 -0.02 0.69 -0.89 -0.31 0.00 0.00 175.10 174.51 1qys s THR 24 N -2.67 -0.92 0.00 5.32 2.01 -1.26 -3.28 115.64 114.84 1qys s THR 24 Ca 0.36 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1qys s THR 24 Cb 0.08 -0.08 0.00 0.00 0.01 0.00 0.00 72.50 72.51 1qys s THR 24 CO 0.19 -0.08 0.00 0.41 -0.69 0.00 0.00 174.62 174.45 1qys n THR 25 N 3.08 0.00 -0.18 -0.82 -1.04 -1.26 -4.88 114.28 109.17 1qys n THR 25 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1qys n THR 25 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1qys n THR 25 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1qys n GLU 26 N -0.48 0.00 -0.14 -2.82 2.13 -1.26 -4.55 120.64 113.52 1qys n GLU 26 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1qys n GLU 26 Cb 0.00 -3.07 -0.10 0.00 0.27 0.00 0.00 31.44 28.54 1qys n GLU 26 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1qys n SER 27 N 0.00 1.95 0.00 4.31 7.64 -1.26 -3.72 113.62 122.54 1qys n SER 27 Ca 0.00 0.34 0.11 0.00 1.01 0.00 0.00 58.87 60.33 1qys n SER 27 Cb 0.00 -0.81 0.68 0.00 -1.01 0.00 0.00 64.21 63.07 1qys n SER 27 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1qys n GLU 28 N -4.26 0.84 0.09 1.43 0.28 -1.26 -1.59 120.64 116.17 1qys n GLU 28 Ca -0.52 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.24 1qys n GLU 28 Cb 0.87 -1.43 -0.15 0.00 1.43 0.00 0.00 31.44 32.16 1qys n GLU 28 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1qys h LEU 29 N 0.00 0.67 -2.15 -1.84 6.46 -1.89 -2.79 115.31 113.78 1qys h LEU 29 Ca 0.00 -0.93 -0.01 0.00 -0.12 0.00 0.00 57.88 56.81 1qys h LEU 29 Cb 0.00 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1qys h LEU 29 CO 0.00 1.76 -0.07 1.56 -0.62 0.00 0.00 178.44 181.07 1qys h GLN 30 N 0.09 0.00 -0.08 1.25 4.20 -1.38 0.65 115.11 119.84 1qys h GLN 30 Ca -0.32 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.27 1qys h GLN 30 Cb 2.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.89 1qys h GLN 30 CO 0.20 0.07 -0.44 1.57 -0.67 0.00 0.00 178.83 179.56 1qys h LYS 31 N 0.00 0.44 -0.22 1.46 -0.00 -1.49 -0.96 116.57 115.80 1qys h LYS 31 Ca -0.00 -0.37 -0.06 0.00 -0.00 0.00 0.00 60.65 60.22 1qys h LYS 31 Cb 0.19 0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 32.49 1qys h LYS 31 CO 0.01 1.00 -0.11 0.28 -0.00 0.00 0.00 179.45 180.63 1qys h VAL 32 N -0.01 1.31 0.21 0.07 2.07 -1.03 -1.39 116.25 117.48 1qys h VAL 32 Ca -0.03 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1qys h VAL 32 Cb 1.09 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1qys h VAL 32 CO 0.09 0.36 -0.24 -0.07 0.02 0.00 0.00 177.57 177.74 1qys h LEU 33 N 0.17 -0.66 -0.79 2.57 3.38 0.24 0.28 115.31 120.50 1qys h LEU 33 Ca 0.05 0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.26 1qys h LEU 33 Cb 0.61 0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 1qys h LEU 33 CO 0.03 -0.30 0.15 0.78 0.09 0.00 0.00 178.44 179.19 1qys h ASN 34 N -0.45 -0.09 -0.88 -0.43 2.35 -1.23 0.21 115.58 115.06 1qys h ASN 34 Ca -0.03 0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1qys h ASN 34 Cb 0.40 0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 1qys h ASN 34 CO -0.04 -0.11 0.58 -0.08 -1.65 0.00 0.00 177.43 176.13 1qys h GLU 35 N 0.21 1.15 -1.94 0.81 4.81 -0.71 -2.93 114.58 115.97 1qys h GLU 35 Ca 0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1qys h GLU 35 Cb 0.84 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1qys h GLU 35 CO -0.60 0.76 0.00 1.28 -0.73 0.00 0.00 179.01 179.72 1qys n LEU 36 N -4.48 2.35 0.00 1.64 4.77 0.93 -2.62 117.00 119.60 1qys n LEU 36 Ca 0.10 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1qys n LEU 36 Cb 0.02 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1qys n LEU 36 CO 0.36 0.44 0.00 0.47 -1.33 0.00 0.00 177.39 177.33 1qys n ASP 38 N 1.64 0.00 -0.30 -1.43 8.00 -1.11 -1.57 116.55 121.79 1qys n ASP 38 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1qys n ASP 38 Cb 0.23 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.61 1qys n ASP 38 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1qys h TYR 39 N 0.00 0.62 0.01 1.24 0.05 -1.82 -0.97 116.97 116.10 1qys h TYR 39 Ca 0.00 0.04 -0.23 0.00 0.05 0.00 0.00 58.73 58.59 1qys h TYR 39 Cb 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1qys h TYR 39 CO 0.00 -0.02 -0.96 -0.84 -1.05 0.00 0.00 178.16 175.29 1qys h ILE 40 N 0.41 1.42 0.10 -2.88 -0.00 -1.59 -1.57 117.51 113.41 1qys h ILE 40 Ca 0.53 -2.53 0.01 0.00 -0.00 0.00 0.00 64.86 62.87 1qys h ILE 40 Cb 0.96 2.47 -0.03 0.00 -0.00 0.00 0.00 36.82 40.23 1qys h ILE 40 CO -0.51 0.75 -0.19 0.11 -0.00 0.00 0.00 178.15 178.31 1qys h LYS 41 N 0.20 -0.35 0.25 0.16 1.57 -1.52 0.25 116.57 117.13 1qys h LYS 41 Ca -0.08 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1qys h LYS 41 Cb 1.60 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.96 1qys h LYS 41 CO 0.16 -0.23 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.20 1qys h LYS 42 N -0.36 -0.69 -0.09 3.15 3.64 -1.22 -2.81 116.57 118.20 1qys h LYS 42 Ca 0.03 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1qys h LYS 42 Cb 0.38 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1qys h LYS 42 CO -0.11 -0.46 -0.23 0.37 -2.27 0.00 0.00 179.45 176.75 1qys h GLN 43 N -0.71 0.14 -6.55 1.90 -0.00 -1.15 -3.47 115.11 105.27 1qys h GLN 43 Ca -0.00 -0.04 -0.51 0.00 -0.00 0.00 0.00 58.65 58.10 1qys h GLN 43 Cb 0.69 -0.02 0.04 0.00 0.00 0.00 0.00 27.48 28.19 1qys h GLN 43 CO -0.15 0.38 -0.97 0.41 0.00 0.00 0.00 178.83 178.49 1qys n GLY 44 N -0.70 -0.91 3.86 2.39 0.00 0.85 -4.94 105.19 105.75 1qys n GLY 44 Ca -0.01 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 1qys n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qys s ALA 45 N -3.50 3.35 0.03 4.61 0.00 -1.26 -5.01 121.76 119.99 1qys s ALA 45 Ca 0.48 -0.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.09 1qys s ALA 45 Cb -0.21 -2.71 -0.17 0.00 0.00 0.00 0.00 23.12 20.03 1qys s ALA 45 CO 0.91 0.18 1.49 1.57 0.00 0.00 0.00 175.76 179.91 1qys h LYS 46 N 1.77 0.03 -5.63 0.00 2.10 -1.92 -3.41 116.57 109.51 1qys h LYS 46 Ca -0.47 -0.01 -0.67 0.00 -2.00 0.00 0.00 60.65 57.50 1qys h LYS 46 Cb 1.18 -0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.23 1qys h LYS 46 CO 0.65 0.28 -0.80 -0.98 -2.00 0.00 0.00 179.45 176.60 1qys s ARG 47 N -5.15 3.05 -0.04 0.07 3.03 -1.26 -1.04 118.95 117.61 1qys s ARG 47 Ca -0.15 -0.74 0.01 0.00 2.03 0.00 0.00 55.73 56.88 1qys s ARG 47 Cb 0.04 -2.48 0.02 0.00 -1.03 0.00 0.00 34.95 31.51 1qys s ARG 47 CO 0.67 0.32 -0.02 0.08 -1.13 0.00 0.00 175.30 175.22 1qys s VAL 48 N 0.05 0.38 -0.05 4.99 1.01 -0.56 -2.87 120.40 123.35 1qys s VAL 48 Ca -0.06 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1qys s VAL 48 Cb -0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1qys s VAL 48 CO 0.05 0.19 -0.23 -0.60 0.00 0.00 0.00 175.10 174.51 1qys s ARG 49 N 0.96 2.30 -0.04 2.72 3.52 -0.51 -0.56 118.95 127.35 1qys s ARG 49 Ca -0.10 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 54.66 1qys s ARG 49 Cb -0.14 -1.98 0.03 0.00 -1.56 0.00 0.00 34.95 31.29 1qys s ARG 49 CO -0.01 0.36 0.02 0.42 -0.81 0.00 0.00 175.30 175.29 1qys s ILE 50 N -0.16 0.12 -0.04 4.11 1.01 -0.02 -0.14 121.20 126.09 1qys s ILE 50 Ca -0.02 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1qys s ILE 50 Cb -0.13 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.05 1qys s ILE 50 CO 0.03 0.18 -0.17 -0.94 0.00 0.00 0.00 174.94 174.04 1qys s SER 51 N 1.59 2.11 -0.13 3.58 1.04 -0.01 -0.36 113.70 121.52 1qys s SER 51 Ca -0.02 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1qys s SER 51 Cb -0.13 -0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.49 1qys s SER 51 CO -0.03 0.16 -0.13 -0.63 0.98 0.00 0.00 173.24 173.59 1qys s ILE 52 N -0.04 1.45 -0.45 -1.02 1.01 0.16 -0.52 121.20 121.80 1qys s ILE 52 Ca -0.02 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 1qys s ILE 52 Cb -0.11 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.02 1qys s ILE 52 CO 0.02 0.44 0.72 -0.89 0.00 0.00 0.00 174.94 175.22 1qys s THR 53 N 1.40 4.73 0.62 2.92 2.01 -0.14 -1.31 115.64 125.87 1qys s THR 53 Ca 0.02 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1qys s THR 53 Cb -0.13 -4.27 0.09 0.00 0.01 0.00 0.00 72.50 68.19 1qys s THR 53 CO -0.08 -0.68 0.86 0.00 -0.69 0.00 0.00 174.62 174.04 1qys s ALA 54 N 3.07 4.10 0.04 7.40 0.00 0.56 -2.72 121.76 134.21 1qys s ALA 54 Ca 0.26 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1qys s ALA 54 Cb -0.13 -1.82 -0.28 0.00 0.00 0.00 0.00 23.12 20.88 1qys s ALA 54 CO 0.21 -1.06 1.01 0.00 0.00 0.00 0.00 175.76 175.91 1qys h ARG 55 N -0.12 0.26 -4.37 0.00 -0.00 -1.86 -3.44 114.38 104.85 1qys h ARG 55 Ca -0.36 -0.45 -0.24 0.00 -0.50 0.00 0.00 59.98 58.44 1qys h ARG 55 Cb 1.28 0.17 -0.21 0.00 0.00 0.00 0.00 29.97 31.21 1qys h ARG 55 CO 0.43 1.17 -0.72 0.95 0.00 0.00 0.00 179.97 181.79 1qys s THR 56 N -2.64 0.40 0.40 2.04 -4.23 -1.26 -4.99 115.64 105.36 1qys s THR 56 Ca -0.06 -1.04 0.11 0.00 -1.18 0.00 0.00 61.69 59.51 1qys s THR 56 Cb 0.07 -0.52 0.32 0.00 1.34 0.00 0.00 72.50 73.71 1qys s THR 56 CO 0.87 -0.44 1.94 0.50 -0.54 0.00 0.00 174.62 176.96 1qys h LYS 57 N 4.51 0.54 0.00 3.99 3.64 -1.88 0.26 116.57 127.63 1qys h LYS 57 Ca -0.34 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 1qys h LYS 57 Cb 1.20 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1qys h LYS 57 CO 0.41 0.36 -0.11 0.87 -2.27 0.00 0.00 179.45 178.72 1qys h LYS 58 N 0.56 0.00 0.05 1.90 1.57 -1.96 -1.89 116.57 116.79 1qys h LYS 58 Ca 0.33 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.02 1qys h LYS 58 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1qys h LYS 58 CO -0.11 0.11 -0.41 1.49 -0.57 0.00 0.00 179.45 179.96 1qys h GLU 59 N 0.00 0.20 -0.84 3.15 4.81 -0.94 -3.09 114.58 117.86 1qys h GLU 59 Ca -0.00 -0.27 0.23 0.00 -0.13 0.00 0.00 59.36 59.19 1qys h GLU 59 Cb 0.41 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1qys h GLU 59 CO 0.01 1.06 0.59 0.00 -0.73 0.00 0.00 179.01 179.95 1qys h ALA 60 N 0.14 2.61 -0.08 2.92 0.00 -0.64 0.49 119.26 124.70 1qys h ALA 60 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1qys h ALA 60 Cb 1.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qys h ALA 60 CO 0.08 -0.86 -0.13 0.93 0.00 0.00 0.00 179.25 179.27 1qys h GLU 61 N 0.12 0.22 -0.71 0.00 5.08 -1.38 0.04 114.58 117.96 1qys h GLU 61 Ca 0.41 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.69 1qys h GLU 61 Cb 1.45 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1qys h GLU 61 CO -0.06 0.71 0.47 0.87 -1.00 0.00 0.00 179.01 180.00 1qys h LYS 62 N -0.24 0.75 -0.18 2.33 1.57 -0.86 -0.21 116.57 119.72 1qys h LYS 62 Ca 0.01 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1qys h LYS 62 Cb 0.69 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1qys h LYS 62 CO 0.03 0.49 -0.63 0.74 -0.57 0.00 0.00 179.45 179.51 1qys h PHE 63 N 0.77 0.84 -0.54 -1.35 0.05 -1.10 -2.38 116.94 113.22 1qys h PHE 63 Ca 0.30 -0.33 -0.06 0.00 3.82 0.00 0.00 57.97 61.71 1qys h PHE 63 Cb 0.21 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 37.99 1qys h PHE 63 CO -0.00 1.11 0.11 0.00 -0.18 0.00 0.00 178.31 179.35 1qys h ALA 64 N 0.81 1.17 -0.71 2.45 0.00 0.17 0.15 119.26 123.31 1qys h ALA 64 Ca -0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1qys h ALA 64 Cb 1.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1qys h ALA 64 CO 0.12 0.56 0.20 0.00 0.00 0.00 0.00 179.25 180.14 1qys h ALA 65 N 1.31 1.03 0.11 0.00 0.00 -0.91 -0.68 119.26 120.10 1qys h ALA 65 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qys h ALA 65 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qys h ALA 65 CO 0.00 0.65 -0.05 0.82 0.00 0.00 0.00 179.25 180.67 1qys h ILE 66 N 1.06 1.04 0.00 0.00 2.04 -0.80 -3.03 117.51 117.82 1qys h ILE 66 Ca 0.23 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1qys h ILE 66 Cb 0.32 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1qys h ILE 66 CO -0.00 0.14 -0.11 -0.07 0.00 0.00 0.00 178.15 178.10 1qys h LEU 67 N -0.41 0.00 -0.24 1.44 3.38 -0.61 -2.10 115.31 116.77 1qys h LEU 67 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1qys h LEU 67 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1qys h LEU 67 CO 0.02 0.11 -0.04 0.40 0.09 0.00 0.00 178.44 179.02 1qys h ILE 68 N 0.00 1.28 -0.42 1.22 2.04 -1.01 -1.63 117.51 118.98 1qys h ILE 68 Ca -0.00 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 1qys h ILE 68 Cb 0.23 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1qys h ILE 68 CO 0.01 0.32 -0.00 0.11 0.00 0.00 0.00 178.15 178.59 1qys h LYS 69 N 0.20 0.69 0.62 2.37 1.57 -1.35 -0.36 116.57 120.31 1qys h LYS 69 Ca 0.06 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1qys h LYS 69 Cb 0.49 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1qys h LYS 69 CO 0.02 0.70 -0.30 0.28 -0.57 0.00 0.00 179.45 179.59 1qys h VAL 70 N 0.65 0.39 -1.00 0.50 2.07 -1.16 -0.10 116.25 117.60 1qys h VAL 70 Ca 0.13 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1qys h VAL 70 Cb 0.41 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1qys h VAL 70 CO 0.02 0.00 0.65 -0.26 0.02 0.00 0.00 177.57 178.00 1qys h PHE 71 N -0.85 1.27 0.49 1.57 0.04 -1.15 -1.63 116.94 116.68 1qys h PHE 71 Ca -0.09 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1qys h PHE 71 Cb 0.64 -0.43 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1qys h PHE 71 CO -0.03 0.81 -0.24 0.00 -0.60 0.00 0.00 178.31 178.25 1qys h ALA 72 N 1.36 -0.66 -0.45 2.45 0.00 -0.95 0.32 119.26 121.33 1qys h ALA 72 Ca 0.36 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1qys h ALA 72 Cb -0.14 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1qys h ALA 72 CO -0.08 -0.77 -0.05 1.05 0.00 0.00 0.00 179.25 179.40 1qys h GLU 73 N -0.85 0.06 -0.40 0.00 -0.00 -0.91 0.13 114.58 112.61 1qys h GLU 73 Ca -0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1qys h GLU 73 Cb 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.32 1qys h GLU 73 CO 0.11 0.04 0.00 1.28 -0.00 0.00 0.00 179.01 180.44 1qys n LEU 74 N -5.27 0.40 0.00 3.06 4.77 -0.62 -4.80 117.00 114.54 1qys n LEU 74 Ca 0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1qys n LEU 74 Cb 0.24 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1qys n LEU 74 CO 0.15 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1qys n GLY 75 N 0.17 1.59 3.67 -0.72 0.00 0.45 -4.99 105.19 105.36 1qys n GLY 75 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1qys n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qys s TYR 76 N -3.70 3.29 0.00 1.61 2.02 0.11 -4.69 117.35 116.00 1qys s TYR 76 Ca 0.00 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.11 1qys s TYR 76 Cb 0.00 -3.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.26 1qys s TYR 76 CO 0.00 -0.67 0.31 0.09 -1.57 0.00 0.00 175.55 173.71 1qys n ASN 77 N 5.99 0.61 -4.00 2.29 3.02 -0.97 -3.45 115.26 118.75 1qys n ASN 77 Ca 0.11 -0.81 -0.32 0.00 -0.03 0.00 0.00 54.58 53.54 1qys n ASN 77 Cb 0.46 0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 39.89 1qys n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qys s ASP 78 N -0.38 4.65 -0.11 6.41 2.15 -1.24 -5.02 116.67 123.13 1qys s ASP 78 Ca 0.00 -2.84 -0.04 0.00 0.43 0.00 0.00 52.55 50.10 1qys s ASP 78 Cb 0.00 -1.71 -0.04 0.00 -0.30 0.00 0.00 42.92 40.88 1qys s ASP 78 CO 0.00 -0.30 0.04 -0.63 -0.17 0.00 0.00 175.17 174.11 1qys s ILE 79 N -0.04 4.63 -0.18 4.11 1.01 -1.26 -3.11 121.20 126.36 1qys s ILE 79 Ca 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1qys s ILE 79 Cb -0.23 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1qys s ILE 79 CO -0.02 0.58 -0.01 0.20 0.00 0.00 0.00 174.94 175.69 1qys s ASN 80 N -0.68 4.87 -0.18 3.58 0.02 0.25 -4.97 114.94 117.83 1qys s ASN 80 Ca 0.11 -0.15 -0.00 0.00 -1.02 0.00 0.00 52.86 51.81 1qys s ASN 80 Cb -0.12 -1.81 0.01 0.00 0.02 0.00 0.00 41.25 39.34 1qys s ASN 80 CO 0.02 0.12 -0.15 -0.69 0.02 0.00 0.00 177.10 176.43 1qys s VAL 81 N 0.64 2.56 -0.07 1.60 1.01 -1.26 -0.73 120.40 124.15 1qys s VAL 81 Ca -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1qys s VAL 81 Cb -0.14 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1qys s VAL 81 CO 0.02 0.50 -0.12 -0.89 0.00 0.00 0.00 175.10 174.61 1qys s THR 82 N 1.18 1.16 -0.13 3.92 2.01 -0.26 -4.97 115.64 118.54 1qys s THR 82 Ca 0.02 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 1qys s THR 82 Cb -0.14 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1qys s THR 82 CO -0.06 0.36 0.03 -0.36 -0.69 0.00 0.00 174.62 173.90 1qys s PHE 83 N 0.77 3.23 -0.40 4.92 0.40 -1.26 0.09 117.98 125.73 1qys s PHE 83 Ca -0.12 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1qys s PHE 83 Cb -0.15 -1.91 0.14 0.00 0.51 0.00 0.00 43.02 41.60 1qys s PHE 83 CO 0.02 0.36 0.22 0.34 0.70 0.00 0.00 175.22 176.87 1qys s ASP 84 N -0.41 3.38 1.46 1.36 -1.08 0.72 -5.00 116.67 117.09 1qys s ASP 84 Ca 0.08 -2.43 0.00 0.00 -0.52 0.00 0.00 52.55 49.68 1qys s ASP 84 Cb -0.12 -0.77 0.00 0.00 -1.46 0.00 0.00 42.92 40.57 1qys s ASP 84 CO 0.02 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 176.03 1qys n GLY 85 N 3.77 2.13 0.86 2.66 0.00 -1.26 -1.55 105.19 111.79 1qys n GLY 85 Ca 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1qys n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qys n ASP 86 N 10.23 3.04 -4.61 1.61 10.43 -1.26 -4.57 116.55 131.42 1qys n ASP 86 Ca 0.00 -1.89 -0.37 0.00 2.57 0.00 0.00 54.79 55.10 1qys n ASP 86 Cb 0.00 -0.23 -0.10 0.00 1.84 0.00 0.00 41.12 42.63 1qys n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1qys s THR 87 N -1.14 5.14 -0.13 -3.53 2.01 -0.60 -0.32 115.64 117.06 1qys s THR 87 Ca 0.29 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1qys s THR 87 Cb 0.17 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1qys s THR 87 CO 0.23 0.33 0.01 0.54 -0.69 0.00 0.00 174.62 175.03 1qys s VAL 88 N 1.27 4.34 -0.28 3.82 0.11 -0.43 -0.20 120.40 129.03 1qys s VAL 88 Ca 0.07 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1qys s VAL 88 Cb -0.14 -2.89 0.08 0.00 -1.53 0.00 0.00 36.38 31.90 1qys s VAL 88 CO 0.06 0.53 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.45 1qys s THR 89 N -0.17 1.88 -0.33 5.04 2.01 0.11 -0.67 115.64 123.52 1qys s THR 89 Ca 0.05 -1.72 -0.12 0.00 0.31 0.00 0.00 61.69 60.21 1qys s THR 89 Cb -0.12 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1qys s THR 89 CO 0.02 -0.30 0.22 -0.69 -0.69 0.00 0.00 174.62 173.17 1qys s VAL 90 N 1.18 5.17 -0.13 3.82 1.01 0.51 -1.11 120.40 130.85 1qys s VAL 90 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1qys s VAL 90 Cb -0.19 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1qys s VAL 90 CO -0.08 0.04 -0.19 -0.70 0.00 0.00 0.00 175.10 174.16 1qys s GLU 91 N 1.71 3.15 0.22 2.72 2.12 0.09 -0.84 118.70 127.87 1qys s GLU 91 Ca 0.06 -0.81 0.10 0.00 0.36 0.00 0.00 54.97 54.68 1qys s GLU 91 Cb -0.17 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 1qys s GLU 91 CO 0.10 0.10 -0.18 0.20 -0.54 0.00 0.00 175.26 174.94 1qys s GLY 92 N 0.58 1.61 -0.01 -1.50 0.00 0.28 -0.59 107.32 107.69 1qys s GLY 92 Ca -0.11 -1.70 0.07 0.00 0.00 0.00 0.00 44.72 42.97 1qys s GLY 92 CO 0.04 -1.78 -0.21 1.20 0.00 0.00 0.00 173.10 172.35 1qys s GLN 93 N -3.34 1.64 0.00 2.90 -0.21 -1.18 -1.49 119.66 117.98 1qys s GLN 93 Ca 0.24 -0.77 0.07 0.00 0.02 0.00 0.00 55.36 54.92 1qys s GLN 93 Cb -0.04 -1.61 0.44 0.00 1.00 0.00 0.00 33.01 32.80 1qys s GLN 93 CO 0.10 0.44 0.90 -0.11 -2.12 0.00 0.00 175.29 174.50