#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqk n HIS 10 N 0.00 -3.81 -0.92 -0.14 -0.00 -1.26 -5.14 115.22 103.95 1oqk n HIS 10 Ca 0.00 0.97 -0.32 0.00 0.46 0.00 0.00 57.72 58.83 1oqk n HIS 10 Cb 0.00 2.60 0.14 0.00 -0.12 0.00 0.00 29.99 32.61 1oqk n HIS 10 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1oqk s GLU 11 N -2.00 1.37 0.00 1.57 2.12 -1.26 -4.85 118.70 115.65 1oqk s GLU 11 Ca 0.00 1.61 0.00 0.00 0.36 0.00 0.00 54.97 56.94 1oqk s GLU 11 Cb 0.00 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.63 1oqk s GLU 11 CO 0.00 -2.38 0.00 -0.11 -0.54 0.00 0.00 175.26 172.23 1oqk n LEU 12 N -3.78 0.00 -4.76 2.70 7.94 -1.26 -5.11 117.00 112.72 1oqk n LEU 12 Ca 0.12 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.61 1oqk n LEU 12 Cb 0.51 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.45 1oqk n LEU 12 CO 0.49 0.00 1.16 -0.63 -1.11 0.00 0.00 177.39 177.30 1oqk s ILE 13 N -0.95 2.23 0.00 1.96 -1.09 -1.26 -2.39 121.20 119.70 1oqk s ILE 13 Ca 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1oqk s ILE 13 Cb 0.00 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1oqk s ILE 13 CO 0.00 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 1oqk n GLY 14 N 1.45 3.05 3.73 6.18 0.00 -1.26 -5.05 105.19 113.29 1oqk n GLY 14 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1oqk n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oqk s LEU 15 N 0.00 3.01 0.19 0.99 1.43 -1.00 -4.74 118.68 118.55 1oqk s LEU 15 Ca 0.00 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 1oqk s LEU 15 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1oqk s LEU 15 CO 0.00 -2.41 0.36 -0.55 0.23 0.00 0.00 176.35 173.98 1oqk s SER 16 N -2.98 6.36 -0.13 2.29 0.15 -0.81 -2.07 113.70 116.51 1oqk s SER 16 Ca 0.64 0.31 -0.05 0.00 0.70 0.00 0.00 55.95 57.55 1oqk s SER 16 Cb -0.20 -1.97 0.06 0.00 -1.71 0.00 0.00 66.02 62.20 1oqk s SER 16 CO 0.55 -0.02 0.28 0.54 1.20 0.00 0.00 173.24 175.80 1oqk s VAL 17 N -1.84 -0.35 -0.10 4.45 0.11 0.86 0.16 120.40 123.70 1oqk s VAL 17 Ca 0.37 0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.62 1oqk s VAL 17 Cb -0.11 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1oqk s VAL 17 CO 0.29 0.10 0.01 0.00 -3.33 0.00 0.00 175.10 172.17 1oqk s ARG 18 N 2.16 3.18 -0.17 1.54 1.70 -0.18 -1.22 118.95 125.95 1oqk s ARG 18 Ca -0.02 -0.39 -0.23 0.00 -0.47 0.00 0.00 55.73 54.62 1oqk s ARG 18 Cb -0.11 -2.87 -0.02 0.00 -0.57 0.00 0.00 34.95 31.37 1oqk s ARG 18 CO -0.09 0.62 0.71 0.42 -1.08 0.00 0.00 175.30 175.88 1oqk s ILE 19 N -0.65 4.97 -0.03 4.99 -1.09 0.14 -1.69 121.20 127.84 1oqk s ILE 19 Ca 0.11 1.38 0.12 0.00 -2.23 0.00 0.00 60.65 60.03 1oqk s ILE 19 Cb -0.12 -4.03 -0.23 0.00 -1.58 0.00 0.00 42.46 36.51 1oqk s ILE 19 CO 0.02 0.09 0.74 0.00 -1.23 0.00 0.00 174.94 174.56 1oqk h ALA 20 N 7.36 0.73 -1.68 9.38 0.00 -0.78 -3.12 119.26 131.15 1oqk h ALA 20 Ca -0.31 -1.39 0.04 0.00 0.00 0.00 0.00 54.91 53.25 1oqk h ALA 20 Cb 1.14 0.41 -0.23 0.00 0.00 0.00 0.00 17.79 19.12 1oqk h ALA 20 CO 0.80 1.54 0.44 0.50 0.00 0.00 0.00 179.25 182.52 1oqk s ARG 21 N -2.62 0.68 0.12 0.00 3.52 -0.93 -4.44 118.95 115.29 1oqk s ARG 21 Ca -0.04 0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1oqk s ARG 21 Cb 0.08 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 1oqk s ARG 21 CO 0.82 -0.19 0.04 -1.12 -0.81 0.00 0.00 175.30 174.04 1oqk s SER 22 N -0.82 0.40 0.19 -2.12 0.01 -1.26 -1.19 113.70 108.90 1oqk s SER 22 Ca -0.03 -1.17 -0.12 0.00 1.31 0.00 0.00 55.95 55.95 1oqk s SER 22 Cb -0.01 0.27 0.16 0.00 0.21 0.00 0.00 66.02 66.64 1oqk s SER 22 CO 0.02 -0.70 1.82 -0.37 0.41 0.00 0.00 173.24 174.43 1oqk h VAL 23 N 2.91 1.04 -3.04 3.43 -1.51 -1.89 -3.42 116.25 113.78 1oqk h VAL 23 Ca -0.35 -0.24 -0.66 0.00 -1.23 0.00 0.00 66.70 64.23 1oqk h VAL 23 Cb 1.19 0.29 -0.12 0.00 -2.13 0.00 0.00 31.29 30.52 1oqk h VAL 23 CO 0.61 0.13 -0.54 -1.00 -1.23 0.00 0.00 177.57 175.53 1oqk s HIS 24 N -6.12 3.37 0.07 5.19 3.76 -1.26 -4.98 115.29 115.32 1oqk s HIS 24 Ca -0.13 0.31 0.32 0.00 -0.15 0.00 0.00 55.06 55.41 1oqk s HIS 24 Cb 0.14 -1.94 1.56 0.00 1.11 0.00 0.00 32.58 33.45 1oqk s HIS 24 CO 0.75 0.49 1.96 -0.09 -0.85 0.00 0.00 174.74 177.00 1oqk h ARG 25 N 5.54 0.00 -0.01 1.40 2.43 -1.95 -1.52 114.38 120.28 1oqk h ARG 25 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1oqk h ARG 25 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1oqk h ARG 25 CO 0.61 0.00 -0.01 -3.47 -1.51 0.00 0.00 179.97 175.59 1oqk n ASP 26 N -2.69 0.57 0.00 -3.80 2.03 -1.26 -3.91 116.55 107.49 1oqk n ASP 26 Ca -0.01 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1oqk n ASP 26 Cb 0.15 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1oqk n ILE 27 N -0.60 0.00 -2.42 5.18 -5.35 -0.65 -5.04 119.36 110.48 1oqk n ILE 27 Ca 0.21 -0.09 -0.36 0.00 -0.27 0.00 0.00 62.75 62.24 1oqk n ILE 27 Cb 0.22 0.55 -0.02 0.00 -1.74 0.00 0.00 39.64 38.65 1oqk n ILE 27 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oqk s GLN 28 N -0.67 3.86 0.00 6.28 -2.07 -0.76 -3.22 119.66 123.08 1oqk s GLN 28 Ca 0.00 1.57 0.00 0.00 -1.82 0.00 0.00 55.36 55.11 1oqk s GLN 28 Cb 0.00 -2.34 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 1oqk s GLN 28 CO 0.00 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 173.96 1oqk n GLY 29 N 0.22 1.62 3.79 2.60 0.00 -1.18 -4.90 105.19 107.34 1oqk n GLY 29 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1oqk n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqk s ILE 30 N -3.45 3.86 0.21 -0.61 -1.09 -1.20 -4.69 121.20 114.24 1oqk s ILE 30 Ca 0.00 1.35 0.11 0.00 -2.23 0.00 0.00 60.65 59.88 1oqk s ILE 30 Cb 0.00 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1oqk s ILE 30 CO 0.00 -0.07 -0.22 -0.55 -1.23 0.00 0.00 174.94 172.87 1oqk s SER 31 N -1.72 3.53 0.00 3.58 0.15 -1.26 0.25 113.70 118.23 1oqk s SER 31 Ca 0.59 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1oqk s SER 31 Cb -0.19 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1oqk s SER 31 CO 0.24 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1oqk n GLY 32 N 0.06 0.84 3.73 9.45 0.00 -0.36 -4.96 105.19 113.96 1oqk n GLY 32 Ca -0.11 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1oqk n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oqk s ARG 33 N 0.45 2.16 0.12 1.61 0.52 -1.26 -0.10 118.95 122.45 1oqk s ARG 33 Ca 0.00 -2.03 0.02 0.00 -0.52 0.00 0.00 55.73 53.21 1oqk s ARG 33 Cb 0.00 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1oqk s ARG 33 CO 0.00 -0.20 0.22 0.08 0.02 0.00 0.00 175.30 175.42 1oqk s VAL 34 N -2.69 5.12 0.00 3.52 1.01 0.19 -1.32 120.40 126.22 1oqk s VAL 34 Ca 0.33 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1oqk s VAL 34 Cb 0.04 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1oqk s VAL 34 CO 0.18 -0.01 0.00 0.55 0.00 0.00 0.00 175.10 175.82 1oqk n VAL 35 N -0.19 0.00 -3.62 2.92 3.14 -0.50 -1.89 118.33 118.19 1oqk n VAL 35 Ca -0.07 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.21 1oqk n VAL 35 Cb 0.53 -0.50 -0.02 0.00 -1.06 0.00 0.00 33.84 32.79 1oqk n VAL 35 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1oqk s ASP 36 N -4.75 -0.42 -0.04 6.55 2.15 -0.94 -4.89 116.67 114.32 1oqk s ASP 36 Ca 0.00 -0.28 0.03 0.00 0.43 0.00 0.00 52.55 52.73 1oqk s ASP 36 Cb 0.00 0.65 0.01 0.00 -0.30 0.00 0.00 42.92 43.28 1oqk s ASP 36 CO 0.00 -1.13 -0.12 -1.61 -0.17 0.00 0.00 175.17 172.13 1oqk s GLU 37 N -3.83 1.43 0.09 4.34 2.02 -1.26 -0.79 118.70 120.69 1oqk s GLU 37 Ca 0.06 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.72 1oqk s GLU 37 Cb -0.03 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.92 1oqk s GLU 37 CO -0.04 0.11 -0.23 0.99 0.02 0.00 0.00 175.26 176.11 1oqk s THR 38 N 0.33 1.88 0.57 3.63 2.01 0.17 -4.98 115.64 119.25 1oqk s THR 38 Ca -0.07 -1.49 0.29 0.00 0.31 0.00 0.00 61.69 60.72 1oqk s THR 38 Cb -0.12 -1.67 0.29 0.00 0.01 0.00 0.00 72.50 71.01 1oqk s THR 38 CO 0.02 0.09 1.88 -0.09 -0.69 0.00 0.00 174.62 175.83 1oqk h ARG 39 N 4.31 0.00 0.00 4.92 9.65 -1.91 -2.21 114.38 129.14 1oqk h ARG 39 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1oqk h ARG 39 Cb 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1oqk h ARG 39 CO 0.41 0.00 0.00 0.27 2.80 0.00 0.00 179.97 183.45 1oqk n ASN 40 N -2.79 0.53 -3.48 -3.80 2.04 -1.26 -3.27 115.26 103.22 1oqk n ASN 40 Ca -0.02 -1.17 -0.12 0.00 -0.44 0.00 0.00 54.58 52.83 1oqk n ASN 40 Cb 0.34 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.56 1oqk n ASN 40 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1oqk s THR 41 N -0.17 0.02 -0.05 5.53 -1.32 -0.83 -3.64 115.64 115.18 1oqk s THR 41 Ca 0.00 -0.15 0.04 0.00 -1.21 0.00 0.00 61.69 60.37 1oqk s THR 41 Cb 0.00 -1.04 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1oqk s THR 41 CO 0.00 -0.08 -0.17 -0.22 -2.21 0.00 0.00 174.62 171.94 1oqk s LEU 42 N -2.63 2.60 -0.15 9.08 1.98 0.30 0.43 118.68 130.28 1oqk s LEU 42 Ca 0.00 -0.26 0.01 0.00 -2.89 0.00 0.00 54.13 51.00 1oqk s LEU 42 Cb -0.00 -1.51 -0.00 0.00 0.66 0.00 0.00 46.19 45.33 1oqk s LEU 42 CO -0.11 0.33 -0.16 -0.60 -1.89 0.00 0.00 176.35 173.92 1oqk s ARG 43 N -0.67 3.20 -0.22 1.98 3.52 0.03 -0.24 118.95 126.55 1oqk s ARG 43 Ca 0.10 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1oqk s ARG 43 Cb -0.11 -2.59 -0.01 0.00 -1.56 0.00 0.00 34.95 30.68 1oqk s ARG 43 CO 0.00 0.04 -0.02 0.42 -0.81 0.00 0.00 175.30 174.93 1oqk s ILE 44 N 0.75 3.57 0.01 4.11 1.01 0.26 -1.41 121.20 129.50 1oqk s ILE 44 Ca -0.07 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1oqk s ILE 44 Cb -0.16 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1oqk s ILE 44 CO 0.01 0.41 -0.16 -0.70 0.00 0.00 0.00 174.94 174.50 1oqk s GLU 45 N 1.41 1.20 -0.15 2.79 2.12 -0.44 0.36 118.70 125.99 1oqk s GLU 45 Ca 0.05 -0.70 -0.00 0.00 0.36 0.00 0.00 54.97 54.68 1oqk s GLU 45 Cb -0.14 -1.21 -0.01 0.00 0.26 0.00 0.00 34.13 33.03 1oqk s GLU 45 CO -0.01 0.32 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.26 1oqk s MET 46 N -0.76 3.34 0.58 4.30 -1.94 -0.32 0.52 119.30 125.02 1oqk s MET 46 Ca 0.05 -0.70 0.36 0.00 -1.71 0.00 0.00 55.69 53.69 1oqk s MET 46 Cb -0.07 -2.67 1.38 0.00 2.01 0.00 0.00 34.83 35.48 1oqk s MET 46 CO 0.00 0.12 1.59 0.22 -0.01 0.00 0.00 175.02 176.94 1oqk h ASP 47 N 7.01 0.00 0.09 3.03 3.58 -1.86 0.98 116.42 129.25 1oqk h ASP 47 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1oqk h ASP 47 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1oqk h ASP 47 CO 0.57 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 177.40 1oqk n ASP 48 N -3.72 0.29 0.00 2.28 9.92 -1.26 -4.77 116.55 119.29 1oqk n ASP 48 Ca 0.27 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 55.15 1oqk n ASP 48 Cb 1.45 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oqk n GLY 49 N -1.20 1.19 3.86 0.44 0.00 0.34 -5.11 105.19 104.71 1oqk n GLY 49 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1oqk n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oqk s ARG 50 N -0.12 3.02 -0.16 1.61 1.81 -0.87 -4.96 118.95 119.29 1oqk s ARG 50 Ca 0.00 -1.00 -0.16 0.00 -1.72 0.00 0.00 55.73 52.85 1oqk s ARG 50 Cb 0.00 -2.63 0.04 0.00 -0.45 0.00 0.00 34.95 31.91 1oqk s ARG 50 CO 0.00 0.39 0.44 -1.21 -0.68 0.00 0.00 175.30 174.24 1oqk s GLU 51 N -3.88 0.53 0.04 3.54 2.02 -1.26 -1.18 118.70 118.51 1oqk s GLU 51 Ca 0.34 0.58 -0.23 0.00 0.02 0.00 0.00 54.97 55.68 1oqk s GLU 51 Cb -0.08 0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.46 1oqk s GLU 51 CO 0.26 -0.07 0.52 -1.50 0.02 0.00 0.00 175.26 174.49 1oqk s ILE 52 N 0.16 0.03 0.16 -1.63 1.10 0.16 -5.00 121.20 116.17 1oqk s ILE 52 Ca -0.01 -0.24 0.05 0.00 -0.51 0.00 0.00 60.65 59.95 1oqk s ILE 52 Cb -0.03 -0.96 -0.04 0.00 0.15 0.00 0.00 42.46 41.58 1oqk s ILE 52 CO 0.01 -0.13 0.12 0.28 -2.11 0.00 0.00 174.94 173.11 1oqk s THR 53 N -2.32 4.43 -0.09 4.00 -1.32 -1.26 0.89 115.64 119.97 1oqk s THR 53 Ca -0.06 -1.07 -0.07 0.00 -1.21 0.00 0.00 61.69 59.28 1oqk s THR 53 Cb -0.01 -3.25 0.03 0.00 -1.51 0.00 0.00 72.50 67.76 1oqk s THR 53 CO -0.01 -0.08 0.23 -0.69 -2.21 0.00 0.00 174.62 171.86 1oqk s VAL 54 N -1.71 -0.01 0.26 5.08 1.01 0.67 -4.90 120.40 120.80 1oqk s VAL 54 Ca 0.30 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1oqk s VAL 54 Cb -0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.84 1oqk s VAL 54 CO 0.23 0.02 1.44 -2.84 0.00 0.00 0.00 175.10 173.95 1oqk s PRO 55 N 0.52 4.26 0.00 2.72 0.02 -1.26 0.11 135.00 141.37 1oqk s PRO 55 Ca -0.03 2.31 0.22 0.00 0.02 0.00 0.00 61.00 63.52 1oqk s PRO 55 Cb -0.05 -3.10 0.09 0.00 0.02 0.00 0.00 34.50 31.46 1oqk s PRO 55 CO -0.03 -0.41 1.14 1.63 -0.33 0.00 0.00 177.00 179.00 1oqk n LYS 56 N 2.16 1.74 -0.19 5.54 4.76 -1.24 -4.37 118.16 126.57 1oqk n LYS 56 Ca 0.06 -1.43 -0.00 0.00 -2.87 0.00 0.00 58.31 54.07 1oqk n LYS 56 Cb 0.40 -1.44 0.08 0.00 -1.84 0.00 0.00 35.03 32.23 1oqk n LYS 56 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1oqk h GLY 57 N 4.57 0.58 -5.25 0.72 0.00 -1.72 -3.36 103.07 98.62 1oqk h GLY 57 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 47.33 47.13 1oqk h GLY 57 CO 0.00 -0.19 -0.63 1.39 0.00 0.00 0.00 176.54 177.11 1oqk n ILE 58 N -5.29 -0.08 -3.97 2.60 -0.00 -0.79 -4.22 119.36 107.62 1oqk n ILE 58 Ca 0.08 -2.22 -0.31 0.00 -0.00 0.00 0.00 62.75 60.30 1oqk n ILE 58 Cb 0.33 0.95 -0.16 0.00 -0.00 0.00 0.00 39.64 40.76 1oqk n ILE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1oqk s ALA 59 N -0.22 2.06 -0.09 -1.39 0.00 -1.00 -3.03 121.76 118.09 1oqk s ALA 59 Ca 0.28 -1.40 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 1oqk s ALA 59 Cb 0.28 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1oqk s ALA 59 CO -0.10 -1.15 0.81 0.54 0.00 0.00 0.00 175.76 175.85 1oqk s VAL 60 N 1.35 4.95 -0.08 0.00 0.11 -0.34 0.13 120.40 126.53 1oqk s VAL 60 Ca -0.06 1.64 -0.20 0.00 -2.93 0.00 0.00 61.98 60.43 1oqk s VAL 60 Cb -0.19 -4.13 0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1oqk s VAL 60 CO -0.06 0.15 0.47 0.72 -3.33 0.00 0.00 175.10 173.06 1oqk s PHE 61 N 1.31 -0.43 0.04 1.54 -0.12 -0.44 -0.07 117.98 119.81 1oqk s PHE 61 Ca 0.41 0.84 0.07 0.00 -0.05 0.00 0.00 56.93 58.20 1oqk s PHE 61 Cb -0.18 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.39 1oqk s PHE 61 CO 0.18 -0.42 -0.18 -1.01 -0.05 0.00 0.00 175.22 173.74 1oqk s HIS 62 N -0.81 2.55 0.19 3.49 3.76 -0.68 -0.21 115.29 123.57 1oqk s HIS 62 Ca -0.09 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 54.53 1oqk s HIS 62 Cb -0.03 -1.46 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 1oqk s HIS 62 CO 0.05 0.25 0.41 -0.06 -0.85 0.00 0.00 174.74 174.54 1oqk s PHE 63 N -0.92 3.48 -0.07 1.40 0.40 0.28 -1.01 117.98 121.55 1oqk s PHE 63 Ca 0.15 0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 56.92 1oqk s PHE 63 Cb -0.10 -1.95 0.04 0.00 0.51 0.00 0.00 43.02 41.52 1oqk s PHE 63 CO 0.05 0.37 0.12 0.50 0.70 0.00 0.00 175.22 176.97 1oqk s ARG 64 N -3.08 0.01 -0.16 0.44 3.00 0.12 -0.37 118.95 118.91 1oqk s ARG 64 Ca 0.40 0.46 -0.10 0.00 -1.00 0.00 0.00 55.73 55.49 1oqk s ARG 64 Cb -0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 34.95 34.47 1oqk s ARG 64 CO 0.27 -0.28 0.19 0.99 0.00 0.00 0.00 175.30 176.47 1oqk s THR 65 N 2.00 5.39 0.59 4.11 2.01 -0.02 -1.93 115.64 127.79 1oqk s THR 65 Ca 0.01 0.31 0.29 0.00 0.31 0.00 0.00 61.69 62.61 1oqk s THR 65 Cb -0.12 -3.50 0.39 0.00 0.01 0.00 0.00 72.50 69.27 1oqk s THR 65 CO -0.05 0.49 1.81 1.55 -0.69 0.00 0.00 174.62 177.73 1oqk h PRO 66 N 6.09 0.00 0.00 4.92 0.13 -1.95 0.59 132.00 141.79 1oqk h PRO 66 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1oqk h PRO 66 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1oqk h PRO 66 CO 0.70 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.51 1oqk n GLN 67 N -3.63 0.12 0.00 0.86 1.13 -1.26 -4.83 117.38 109.76 1oqk n GLN 67 Ca 0.11 0.42 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1oqk n GLN 67 Cb 0.80 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1oqk n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1oqk n GLY 68 N -0.35 0.75 3.24 1.08 0.00 0.20 -5.13 105.19 104.98 1oqk n GLY 68 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1oqk n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oqk s GLU 69 N 0.50 1.45 -0.16 1.61 0.41 -0.95 -4.96 118.70 116.60 1oqk s GLU 69 Ca 0.00 -0.89 -0.00 0.00 -0.41 0.00 0.00 54.97 53.67 1oqk s GLU 69 Cb 0.00 -1.52 0.04 0.00 -1.78 0.00 0.00 34.13 30.86 1oqk s GLU 69 CO 0.00 0.40 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.92 1oqk s LEU 70 N -1.01 1.71 0.27 1.80 2.96 -1.26 -0.84 118.68 122.29 1oqk s LEU 70 Ca 0.07 -0.63 0.12 0.00 -0.22 0.00 0.00 54.13 53.47 1oqk s LEU 70 Cb -0.09 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 1oqk s LEU 70 CO 0.01 -0.15 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.02 1oqk s VAL 71 N 1.57 2.58 0.08 1.68 1.01 0.50 -4.96 120.40 122.86 1oqk s VAL 71 Ca 0.02 -2.30 0.08 0.00 0.00 0.00 0.00 61.98 59.78 1oqk s VAL 71 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1oqk s VAL 71 CO -0.08 -0.36 -0.21 -1.83 0.00 0.00 0.00 175.10 172.62 1oqk s GLU 72 N -3.41 1.25 -0.24 2.72 -1.05 -1.26 0.10 118.70 116.81 1oqk s GLU 72 Ca 0.29 -1.08 -0.03 0.00 -0.15 0.00 0.00 54.97 54.00 1oqk s GLU 72 Cb -0.06 -1.47 0.12 0.00 -0.44 0.00 0.00 34.13 32.29 1oqk s GLU 72 CO 0.15 0.36 0.32 0.42 0.95 0.00 0.00 175.26 177.46 1oqk s ILE 73 N -1.00 -0.50 0.09 1.83 -1.09 0.70 -4.89 121.20 116.34 1oqk s ILE 73 Ca 0.07 -0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 1oqk s ILE 73 Cb -0.10 -0.80 -0.06 0.00 -1.58 0.00 0.00 42.46 39.93 1oqk s ILE 73 CO 0.03 -0.19 1.04 -0.62 -1.23 0.00 0.00 174.94 173.98 1oqk s ASP 74 N 2.46 7.34 0.03 3.58 2.15 -1.26 -1.32 116.67 129.66 1oqk s ASP 74 Ca 0.10 1.87 0.24 0.00 0.43 0.00 0.00 52.55 55.19 1oqk s ASP 74 Cb -0.15 -2.59 0.24 0.00 -0.30 0.00 0.00 42.92 40.12 1oqk s ASP 74 CO -0.17 -0.21 1.21 0.61 -0.17 0.00 0.00 175.17 176.44 1oqk n GLY 75 N 2.50 -1.23 0.12 2.66 0.00 0.36 -4.04 105.19 105.56 1oqk n GLY 75 Ca 0.04 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1oqk n GLY 75 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1oqk h ARG 76 N 0.00 0.20 0.00 1.61 0.11 -1.75 -2.02 114.38 112.53 1oqk h ARG 76 Ca 0.00 -0.35 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1oqk h ARG 76 Cb 0.61 0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1oqk h ARG 76 CO 0.00 1.03 0.00 0.00 0.10 0.00 0.00 179.97 181.10 1oqk n ALA 77 N -2.86 2.55 -2.43 0.08 0.00 -1.26 -3.51 120.51 113.08 1oqk n ALA 77 Ca -0.27 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 52.76 1oqk n ALA 77 Cb 1.05 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 19.08 1oqk n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oqk n LEU 78 N -0.96 4.39 -4.23 0.00 7.99 -1.25 -5.09 117.00 117.86 1oqk n LEU 78 Ca 0.20 -4.97 -0.34 0.00 -0.01 0.00 0.00 56.01 50.88 1oqk n LEU 78 Cb 0.09 -0.34 0.10 0.00 -0.11 0.00 0.00 43.42 43.16 1oqk n LEU 78 CO 0.15 2.14 -0.76 0.52 -1.51 0.00 0.00 177.39 177.92 1oqk n VAL 79 N -0.48 0.00 -0.87 4.08 0.31 -1.23 -4.63 118.33 115.51 1oqk n VAL 79 Ca 0.37 -0.27 -0.35 0.00 -0.01 0.00 0.00 64.34 64.07 1oqk n VAL 79 Cb 0.73 -0.38 0.09 0.00 -0.91 0.00 0.00 33.84 33.37 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oqk n ALA 80 N -3.48 -4.48 -2.15 3.52 0.00 -1.20 -4.55 120.51 108.18 1oqk n ALA 80 Ca 0.02 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 52.08 1oqk n ALA 80 Cb 0.59 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1oqk n ALA 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1oqk s ARG 81 N -2.78 3.86 0.05 0.00 3.03 -1.21 -4.82 118.95 117.08 1oqk s ARG 81 Ca 0.47 1.67 -0.21 0.00 2.03 0.00 0.00 55.73 59.69 1oqk s ARG 81 Cb -0.11 -4.00 -0.10 0.00 -1.03 0.00 0.00 34.95 29.70 1oqk s ARG 81 CO 0.71 -1.21 1.33 -1.35 -1.13 0.00 0.00 175.30 173.65 1oqk h PRO 82 N 10.35 -0.60 0.00 3.89 0.11 -1.87 -2.18 132.00 141.70 1oqk h PRO 82 Ca -0.33 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1oqk h PRO 82 Cb 1.15 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1oqk h PRO 82 CO 1.00 -0.40 -1.47 0.39 -0.21 0.00 0.00 178.00 177.32 1oqk n GLU 83 N -4.18 0.85 -0.26 1.05 -0.58 -1.26 -4.53 120.64 111.73 1oqk n GLU 83 Ca -0.07 -0.11 -0.01 0.00 -0.42 0.00 0.00 57.16 56.55 1oqk n GLU 83 Cb 0.28 -1.34 0.11 0.00 -0.57 0.00 0.00 31.44 29.91 1oqk n GLU 83 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1oqk h GLU 84 N 0.00 0.79 0.00 3.49 5.08 -1.98 -3.44 114.58 118.51 1oqk h GLU 84 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1oqk h GLU 84 Cb 0.64 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1oqk h GLU 84 CO 0.00 0.52 0.00 -2.13 -1.00 0.00 0.00 179.01 176.40 1oqk n ARG 85 N -4.71 0.00 0.00 2.33 0.63 -1.25 -5.12 116.66 108.54 1oqk n ARG 85 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1oqk n ARG 85 Cb 0.16 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.07 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23