#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqk s HIS 10 N 0.00 2.92 0.21 -1.55 3.76 -1.26 -4.95 115.29 114.41 1oqk s HIS 10 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1oqk s HIS 10 Cb 0.00 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1oqk s HIS 10 CO 0.00 0.35 0.00 0.39 -0.85 0.00 0.00 174.74 174.63 1oqk n GLU 11 N 1.92 -5.13 0.11 1.40 1.02 -1.26 -4.88 120.64 113.82 1oqk n GLU 11 Ca -0.17 3.67 0.02 0.00 -0.02 0.00 0.00 57.16 60.66 1oqk n GLU 11 Cb 0.53 -3.91 -0.00 0.00 -0.02 0.00 0.00 31.44 28.03 1oqk n GLU 11 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1oqk h LEU 12 N 3.87 0.00 -9.80 -4.62 5.85 -2.03 -3.46 115.31 105.13 1oqk h LEU 12 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1oqk h LEU 12 Cb 0.00 0.00 0.06 0.00 0.37 0.00 0.00 40.66 41.09 1oqk h LEU 12 CO 0.00 0.53 0.69 -0.63 -0.34 0.00 0.00 178.44 178.69 1oqk s ILE 13 N -2.95 2.76 0.00 4.05 -1.09 -1.26 -3.39 121.20 119.32 1oqk s ILE 13 Ca 0.02 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1oqk s ILE 13 Cb 0.08 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1oqk s ILE 13 CO 0.76 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 175.22 1oqk n GLY 14 N 1.61 1.08 3.78 6.18 0.00 -1.26 -5.09 105.19 111.48 1oqk n GLY 14 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 3.33 0.31 0.99 1.43 -1.22 -4.97 118.68 118.56 1oqk s LEU 15 Ca 0.00 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1oqk s LEU 15 Cb 0.00 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1oqk s LEU 15 CO 0.00 -0.38 0.52 -0.44 0.23 0.00 0.00 176.35 176.29 1oqk s SER 16 N -3.92 6.33 0.13 2.29 0.01 -0.78 -1.74 113.70 116.03 1oqk s SER 16 Ca 0.40 0.48 0.06 0.00 1.31 0.00 0.00 55.95 58.20 1oqk s SER 16 Cb -0.03 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1oqk s SER 16 CO 0.24 -0.24 -0.14 -0.69 0.41 0.00 0.00 173.24 172.82 1oqk s VAL 17 N -2.20 1.36 -0.32 3.43 1.01 0.14 -0.45 120.40 123.37 1oqk s VAL 17 Ca 0.40 -1.73 -0.00 0.00 0.00 0.00 0.00 61.98 60.65 1oqk s VAL 17 Cb -0.10 -1.56 0.13 0.00 0.00 0.00 0.00 36.38 34.86 1oqk s VAL 17 CO 0.34 -0.41 0.27 -0.60 0.00 0.00 0.00 175.10 174.69 1oqk s ARG 18 N -2.69 0.42 0.16 2.72 3.00 0.38 -2.12 118.95 120.82 1oqk s ARG 18 Ca 0.09 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.73 53.89 1oqk s ARG 18 Cb -0.05 -0.90 -0.07 0.00 0.00 0.00 0.00 34.95 33.93 1oqk s ARG 18 CO 0.03 -1.11 1.02 0.42 0.00 0.00 0.00 175.30 175.66 1oqk s ILE 19 N 1.82 4.16 -0.10 4.11 1.01 -1.20 -0.23 121.20 130.77 1oqk s ILE 19 Ca 0.13 1.88 0.13 0.00 0.00 0.00 0.00 60.65 62.79 1oqk s ILE 19 Cb -0.16 -4.20 -0.19 0.00 0.01 0.00 0.00 42.46 37.92 1oqk s ILE 19 CO -0.20 0.33 0.13 0.00 0.00 0.00 0.00 174.94 175.21 1oqk n ALA 20 N 2.39 1.93 -3.17 9.38 0.00 0.86 -4.02 120.51 127.89 1oqk n ALA 20 Ca 0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 1oqk n ALA 20 Cb 0.48 -0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 1oqk n ALA 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1oqk s ARG 21 N -2.55 0.43 0.12 0.00 3.52 -0.94 -4.25 118.95 115.27 1oqk s ARG 21 Ca -0.06 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.64 1oqk s ARG 21 Cb 0.06 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 1oqk s ARG 21 CO 0.59 -0.09 0.04 -1.12 -0.81 0.00 0.00 175.30 173.91 1oqk s SER 22 N -0.46 0.37 0.07 -2.12 0.01 -1.26 -2.53 113.70 107.78 1oqk s SER 22 Ca -0.06 -1.18 -0.34 0.00 1.31 0.00 0.00 55.95 55.69 1oqk s SER 22 Cb -0.04 0.27 -0.18 0.00 0.21 0.00 0.00 66.02 66.29 1oqk s SER 22 CO 0.01 -0.70 1.61 0.58 0.41 0.00 0.00 173.24 175.15 1oqk h VAL 23 N 2.90 0.24 -2.97 3.43 2.07 -1.82 -3.43 116.25 116.68 1oqk h VAL 23 Ca -0.35 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.51 1oqk h VAL 23 Cb 1.19 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 31.10 1oqk h VAL 23 CO 0.60 0.00 -0.53 -2.28 0.02 0.00 0.00 177.57 175.38 1oqk s HIS 24 N -6.02 3.42 0.62 1.57 2.46 -1.26 -4.97 115.29 111.10 1oqk s HIS 24 Ca -0.18 0.36 0.28 0.00 0.47 0.00 0.00 55.06 55.99 1oqk s HIS 24 Cb 0.04 -1.95 1.50 0.00 -0.13 0.00 0.00 32.58 32.04 1oqk s HIS 24 CO 0.62 0.54 1.89 0.00 -2.47 0.00 0.00 174.74 175.31 1oqk h ARG 25 N 5.46 0.00 0.00 2.88 3.08 -1.95 0.49 114.38 124.34 1oqk h ARG 25 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1oqk h ARG 25 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1oqk h ARG 25 CO 0.61 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.26 1oqk n ASP 26 N -3.39 0.27 0.00 7.04 9.92 -1.26 -3.04 116.55 126.09 1oqk n ASP 26 Ca 0.04 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1oqk n ASP 26 Cb 0.57 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1oqk n ILE 27 N -1.77 0.30 -3.06 0.53 -5.35 0.17 -5.01 119.36 105.17 1oqk n ILE 27 Ca 0.05 -0.59 -0.31 0.00 -0.27 0.00 0.00 62.75 61.63 1oqk n ILE 27 Cb 0.28 0.93 -0.05 0.00 -1.74 0.00 0.00 39.64 39.06 1oqk n ILE 27 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1oqk s GLN 28 N -0.30 3.85 -1.66 6.28 0.74 -0.88 -3.98 119.66 123.70 1oqk s GLN 28 Ca 0.00 0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.89 1oqk s GLN 28 Cb 0.00 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.65 1oqk s GLN 28 CO 0.00 0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.25 1oqk n GLY 29 N -0.79 1.52 3.63 2.59 0.00 -1.26 -4.95 105.19 105.94 1oqk n GLY 29 Ca 0.02 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.41 4.82 0.23 -0.61 1.01 -1.26 -4.95 121.20 118.04 1oqk s ILE 30 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1oqk s ILE 30 Cb 0.00 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1oqk s ILE 30 CO 0.00 0.45 0.32 -0.94 0.00 0.00 0.00 174.94 174.77 1oqk s SER 31 N 0.45 6.17 0.00 3.58 1.04 -1.26 -3.23 113.70 120.45 1oqk s SER 31 Ca 0.04 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1oqk s SER 31 Cb -0.12 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.22 1oqk s SER 31 CO 0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1oqk n GLY 32 N -1.26 1.43 3.73 7.32 0.00 -0.90 -4.98 105.19 110.54 1oqk n GLY 32 Ca -0.09 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 0.49 2.15 0.09 1.61 0.52 -1.26 0.27 118.95 122.82 1oqk s ARG 33 Ca 0.00 -2.08 0.01 0.00 -0.52 0.00 0.00 55.73 53.14 1oqk s ARG 33 Cb 0.00 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 1oqk s ARG 33 CO 0.00 -0.22 0.24 0.08 0.02 0.00 0.00 175.30 175.42 1oqk s VAL 34 N -2.72 5.36 0.00 3.52 1.01 0.21 -0.92 120.40 126.85 1oqk s VAL 34 Ca 0.29 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1oqk s VAL 34 Cb 0.04 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1oqk s VAL 34 CO 0.16 0.06 0.00 0.55 0.00 0.00 0.00 175.10 175.87 1oqk n VAL 35 N 0.00 0.00 -3.55 2.92 3.14 -0.48 -1.80 118.33 118.56 1oqk n VAL 35 Ca -0.06 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.22 1oqk n VAL 35 Cb 0.52 -0.46 -0.02 0.00 -1.06 0.00 0.00 33.84 32.81 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 -4.57 -0.45 -0.06 6.55 2.15 -0.97 -4.91 116.67 114.40 1oqk s ASP 36 Ca 0.00 -0.19 0.02 0.00 0.43 0.00 0.00 52.55 52.81 1oqk s ASP 36 Cb 0.00 0.61 0.01 0.00 -0.30 0.00 0.00 42.92 43.25 1oqk s ASP 36 CO 0.00 -1.04 -0.12 -1.61 -0.17 0.00 0.00 175.17 172.23 1oqk s GLU 37 N -3.80 1.65 0.11 4.34 8.01 -1.26 -0.59 118.70 127.15 1oqk s GLU 37 Ca 0.04 -0.39 0.10 0.00 0.01 0.00 0.00 54.97 54.73 1oqk s GLU 37 Cb -0.02 -1.37 -0.04 0.00 -4.31 0.00 0.00 34.13 28.40 1oqk s GLU 37 CO -0.08 0.02 -0.25 0.99 0.01 0.00 0.00 175.26 175.95 1oqk s THR 38 N 0.68 2.08 0.27 3.63 2.01 0.82 -4.99 115.64 120.14 1oqk s THR 38 Ca -0.14 -1.64 0.27 0.00 0.31 0.00 0.00 61.69 60.49 1oqk s THR 38 Cb -0.16 -1.84 0.27 0.00 0.01 0.00 0.00 72.50 70.78 1oqk s THR 38 CO 0.03 0.08 1.82 0.03 -0.69 0.00 0.00 174.62 175.90 1oqk h ARG 39 N 4.06 0.00 0.00 4.92 3.08 -2.01 -2.39 114.38 122.04 1oqk h ARG 39 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1oqk h ARG 39 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1oqk h ARG 39 CO 0.40 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.57 1oqk n ASN 40 N -2.56 0.55 -3.51 7.04 2.04 -1.26 -3.94 115.26 113.61 1oqk n ASN 40 Ca -0.02 -1.27 -0.14 0.00 -0.44 0.00 0.00 54.58 52.71 1oqk n ASN 40 Cb 0.19 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.39 1oqk n ASN 40 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1oqk s THR 41 N -0.27 0.01 -0.12 5.53 -4.23 -0.90 -4.19 115.64 111.48 1oqk s THR 41 Ca 0.00 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1oqk s THR 41 Cb 0.00 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 1oqk s THR 41 CO 0.00 -0.06 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.17 1oqk s LEU 42 N -1.99 2.99 -0.18 4.79 1.43 0.29 -0.13 118.68 125.88 1oqk s LEU 42 Ca -0.05 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1oqk s LEU 42 Cb -0.01 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1oqk s LEU 42 CO -0.02 0.22 -0.04 -0.60 0.23 0.00 0.00 176.35 176.14 1oqk s ARG 43 N 0.05 3.55 -0.22 1.70 3.52 0.24 -0.05 118.95 127.73 1oqk s ARG 43 Ca -0.02 -0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1oqk s ARG 43 Cb -0.14 -2.96 -0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1oqk s ARG 43 CO 0.04 0.05 -0.05 0.42 -0.81 0.00 0.00 175.30 174.95 1oqk s ILE 44 N 0.85 3.24 0.00 4.11 1.01 0.25 -1.38 121.20 129.28 1oqk s ILE 44 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1oqk s ILE 44 Cb -0.15 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 1oqk s ILE 44 CO 0.02 0.39 -0.12 -0.70 0.00 0.00 0.00 174.94 174.52 1oqk s GLU 45 N 1.45 0.92 -0.06 2.79 2.12 -0.10 0.87 118.70 126.69 1oqk s GLU 45 Ca 0.05 -0.48 0.05 0.00 0.36 0.00 0.00 54.97 54.95 1oqk s GLU 45 Cb -0.15 -0.90 -0.01 0.00 0.26 0.00 0.00 34.13 33.34 1oqk s GLU 45 CO -0.04 0.24 -0.23 0.00 -0.54 0.00 0.00 175.26 174.69 1oqk s MET 46 N -0.45 2.61 0.59 4.30 0.23 0.20 0.65 119.30 127.43 1oqk s MET 46 Ca 0.04 -0.87 0.33 0.00 -1.03 0.00 0.00 55.69 54.16 1oqk s MET 46 Cb -0.05 -2.22 1.22 0.00 -1.53 0.00 0.00 34.83 32.25 1oqk s MET 46 CO -0.00 0.39 1.47 0.22 -2.03 0.00 0.00 175.02 175.07 1oqk h ASP 47 N 6.04 0.00 0.00 -1.18 1.82 -1.91 0.99 116.42 122.18 1oqk h ASP 47 Ca -0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1oqk h ASP 47 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1oqk h ASP 47 CO 0.48 0.00 0.04 0.47 -1.61 0.00 0.00 179.24 178.62 1oqk n ASP 48 N -3.52 0.54 0.00 2.28 9.92 -1.26 -4.76 116.55 119.76 1oqk n ASP 48 Ca 0.27 0.74 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 1oqk n ASP 48 Cb 1.53 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 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 -1.29 0.96 3.53 0.44 0.00 0.34 -5.08 105.19 104.09 1oqk n GLY 49 Ca -0.01 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.35 3.79 0.06 1.61 0.52 -0.97 -4.96 118.95 118.65 1oqk s ARG 50 Ca 0.00 -0.43 0.09 0.00 -0.52 0.00 0.00 55.73 54.87 1oqk s ARG 50 Cb 0.00 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 1oqk s ARG 50 CO 0.00 0.08 -0.25 -1.83 0.02 0.00 0.00 175.30 173.32 1oqk s GLU 51 N 0.87 1.77 -0.07 3.54 -1.05 -1.26 -0.63 118.70 121.87 1oqk s GLU 51 Ca 0.03 -1.14 -0.29 0.00 -0.15 0.00 0.00 54.97 53.42 1oqk s GLU 51 Cb -0.14 -1.99 0.07 0.00 -0.44 0.00 0.00 34.13 31.63 1oqk s GLU 51 CO 0.02 0.51 0.66 -1.50 0.95 0.00 0.00 175.26 175.90 1oqk s ILE 52 N -0.86 0.00 0.16 1.83 1.10 0.25 -4.98 121.20 118.70 1oqk s ILE 52 Ca 0.12 -0.03 0.01 0.00 -0.51 0.00 0.00 60.65 60.24 1oqk s ILE 52 Cb -0.10 -0.97 -0.04 0.00 0.15 0.00 0.00 42.46 41.50 1oqk s ILE 52 CO 0.03 -0.02 0.32 0.28 -2.11 0.00 0.00 174.94 173.44 1oqk s THR 53 N -1.03 5.28 -0.13 4.00 -1.32 -1.26 0.84 115.64 122.02 1oqk s THR 53 Ca -0.10 -0.52 -0.07 0.00 -1.21 0.00 0.00 61.69 59.79 1oqk s THR 53 Cb -0.01 -3.73 0.05 0.00 -1.51 0.00 0.00 72.50 67.31 1oqk s THR 53 CO 0.09 -0.10 0.31 -0.69 -2.21 0.00 0.00 174.62 172.02 1oqk s VAL 54 N -1.76 -0.05 0.10 5.08 1.01 0.92 -4.89 120.40 120.81 1oqk s VAL 54 Ca 0.36 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.16 1oqk s VAL 54 Cb -0.11 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.71 1oqk s VAL 54 CO 0.29 0.05 1.67 -2.84 0.00 0.00 0.00 175.10 174.27 1oqk s PRO 55 N 1.35 4.19 0.00 2.72 0.02 -1.26 -0.54 135.00 141.47 1oqk s PRO 55 Ca -0.09 2.39 0.22 0.00 0.02 0.00 0.00 61.00 63.54 1oqk s PRO 55 Cb -0.10 -3.49 0.11 0.00 0.02 0.00 0.00 34.50 31.05 1oqk s PRO 55 CO -0.10 -0.73 1.16 0.36 -0.33 0.00 0.00 177.00 177.36 1oqk n LYS 56 N 5.22 1.86 -0.23 5.54 2.85 -1.26 -4.48 118.16 127.65 1oqk n LYS 56 Ca 0.16 -1.55 0.03 0.00 -1.05 0.00 0.00 58.31 55.90 1oqk n LYS 56 Cb 0.39 -1.44 0.12 0.00 -0.65 0.00 0.00 35.03 33.46 1oqk n LYS 56 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1oqk h GLY 57 N 4.49 0.72 -5.58 2.58 0.00 -1.76 -3.30 103.07 100.23 1oqk h GLY 57 Ca 0.00 0.10 -0.38 0.00 0.00 0.00 0.00 47.33 47.05 1oqk h GLY 57 CO 0.00 -0.24 -0.88 0.29 0.00 0.00 0.00 176.54 175.71 1oqk n ILE 58 N -5.32 -0.12 -3.82 2.60 -6.64 -0.70 -4.18 119.36 101.17 1oqk n ILE 58 Ca 0.11 -3.27 -0.28 0.00 -1.77 0.00 0.00 62.75 57.54 1oqk n ILE 58 Cb 0.40 0.40 -0.16 0.00 -1.44 0.00 0.00 39.64 38.84 1oqk n ILE 58 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1oqk s ALA 59 N -1.23 1.32 -0.08 -1.28 0.00 -0.97 -4.29 121.76 115.23 1oqk s ALA 59 Ca 0.33 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1oqk s ALA 59 Cb 0.32 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1oqk s ALA 59 CO -0.08 -1.04 1.42 0.54 0.00 0.00 0.00 175.76 176.61 1oqk s VAL 60 N 1.70 3.89 -0.00 0.00 0.11 -1.05 -0.24 120.40 124.81 1oqk s VAL 60 Ca -0.01 1.15 -0.02 0.00 -2.93 0.00 0.00 61.98 60.16 1oqk s VAL 60 Cb -0.17 -3.74 -0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1oqk s VAL 60 CO -0.07 -0.07 0.04 0.72 -3.33 0.00 0.00 175.10 172.39 1oqk s PHE 61 N 3.26 0.07 -0.10 1.54 -0.12 -0.95 -0.10 117.98 121.58 1oqk s PHE 61 Ca 0.63 -0.15 0.01 0.00 -0.05 0.00 0.00 56.93 57.38 1oqk s PHE 61 Cb -0.28 -0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.02 1oqk s PHE 61 CO 0.23 -0.14 -0.14 -1.01 -0.05 0.00 0.00 175.22 174.11 1oqk s HIS 62 N -0.79 2.76 -0.31 3.49 3.76 0.68 -1.41 115.29 123.46 1oqk s HIS 62 Ca -0.09 -0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 54.22 1oqk s HIS 62 Cb -0.05 -1.76 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 1oqk s HIS 62 CO -0.00 -0.08 0.19 -0.06 -0.85 0.00 0.00 174.74 173.94 1oqk s PHE 63 N -0.03 3.20 0.08 1.40 0.40 0.21 0.14 117.98 123.38 1oqk s PHE 63 Ca -0.03 -0.27 -0.25 0.00 -0.60 0.00 0.00 56.93 55.78 1oqk s PHE 63 Cb -0.14 -2.41 -0.06 0.00 0.51 0.00 0.00 43.02 40.92 1oqk s PHE 63 CO 0.04 -0.35 0.76 1.03 0.70 0.00 0.00 175.22 177.40 1oqk s ARG 64 N 1.69 4.50 -0.16 0.44 1.81 0.41 -0.10 118.95 127.53 1oqk s ARG 64 Ca 0.06 1.07 -0.00 0.00 -1.72 0.00 0.00 55.73 55.13 1oqk s ARG 64 Cb -0.17 -3.33 -0.01 0.00 -0.45 0.00 0.00 34.95 31.00 1oqk s ARG 64 CO 0.09 0.38 -0.13 0.99 -0.68 0.00 0.00 175.30 175.95 1oqk s THR 65 N -0.41 2.83 0.57 0.02 2.01 0.99 -1.86 115.64 119.78 1oqk s THR 65 Ca 0.37 -0.71 0.41 0.00 0.31 0.00 0.00 61.69 62.07 1oqk s THR 65 Cb -0.21 -2.21 0.60 0.00 0.01 0.00 0.00 72.50 70.70 1oqk s THR 65 CO 0.24 0.51 1.54 -0.65 -0.69 0.00 0.00 174.62 175.56 1oqk h PRO 66 N 7.27 0.00 0.00 4.92 0.11 -1.93 0.86 132.00 143.23 1oqk h PRO 66 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1oqk h PRO 66 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1oqk h PRO 66 CO 0.57 0.00 0.00 0.37 -0.21 0.00 0.00 178.00 178.73 1oqk h GLN 67 N 0.00 0.00 0.00 1.05 5.75 -2.03 -3.44 115.11 116.44 1oqk h GLN 67 Ca 0.73 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.23 1oqk h GLN 67 Cb 3.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 31.78 1oqk h GLN 67 CO -0.01 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.58 1oqk n GLY 68 N -1.15 1.85 3.31 2.39 0.00 0.30 -5.12 105.19 106.76 1oqk n GLY 68 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1oqk n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1oqk s GLU 69 N -0.69 1.21 -0.10 1.61 -1.05 -0.98 -4.99 118.70 113.71 1oqk s GLU 69 Ca 0.00 -1.40 0.02 0.00 -0.15 0.00 0.00 54.97 53.44 1oqk s GLU 69 Cb 0.00 -1.16 0.01 0.00 -0.44 0.00 0.00 34.13 32.55 1oqk s GLU 69 CO 0.00 0.22 -0.15 -1.17 0.95 0.00 0.00 175.26 175.11 1oqk s LEU 70 N -2.75 1.72 -0.03 1.83 1.98 -1.26 -0.01 118.68 120.16 1oqk s LEU 70 Ca 0.15 -0.42 -0.03 0.00 -2.89 0.00 0.00 54.13 50.94 1oqk s LEU 70 Cb -0.04 -1.07 -0.04 0.00 0.66 0.00 0.00 46.19 45.69 1oqk s LEU 70 CO 0.06 0.02 0.15 -0.69 -1.89 0.00 0.00 176.35 174.00 1oqk s VAL 71 N 0.95 5.28 -0.08 1.68 1.01 0.85 -4.92 120.40 125.17 1oqk s VAL 71 Ca -0.08 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1oqk s VAL 71 Cb -0.15 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1oqk s VAL 71 CO -0.01 0.39 -0.24 -1.83 0.00 0.00 0.00 175.10 173.41 1oqk s GLU 72 N -1.70 2.78 -0.20 2.72 1.03 -1.26 0.68 118.70 122.74 1oqk s GLU 72 Ca 0.24 -0.87 -0.05 0.00 0.03 0.00 0.00 54.97 54.32 1oqk s GLU 72 Cb -0.12 -2.20 0.07 0.00 -0.80 0.00 0.00 34.13 31.08 1oqk s GLU 72 CO 0.15 0.26 0.10 0.42 -1.33 0.00 0.00 175.26 174.85 1oqk s ILE 73 N 0.14 -0.02 -0.61 1.83 1.09 -0.50 -5.00 121.20 118.13 1oqk s ILE 73 Ca -0.12 -0.36 -0.26 0.00 -1.10 0.00 0.00 60.65 58.80 1oqk s ILE 73 Cb -0.16 -0.73 -0.03 0.00 -1.06 0.00 0.00 42.46 40.49 1oqk s ILE 73 CO 0.07 -0.39 1.90 -1.81 -0.10 0.00 0.00 174.94 174.61 1oqk s ASP 74 N 2.10 5.20 0.10 3.58 1.01 -1.26 -2.25 116.67 125.15 1oqk s ASP 74 Ca 0.04 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.71 1oqk s ASP 74 Cb -0.16 -2.53 0.27 0.00 1.01 0.00 0.00 42.92 41.51 1oqk s ASP 74 CO -0.16 -2.43 1.04 0.61 0.21 0.00 0.00 175.17 174.44 1oqk n GLY 75 N 5.75 -0.47 0.04 0.21 0.00 0.67 -1.25 105.19 110.15 1oqk n GLY 75 Ca 0.22 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 1oqk n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oqk h ARG 76 N 0.00 -0.04 -0.05 1.61 3.08 -1.75 -1.77 114.38 115.46 1oqk h ARG 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1oqk h ARG 76 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1oqk h ARG 76 CO 0.00 -0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.87 1oqk n ALA 77 N -2.44 2.46 0.65 0.04 0.00 -1.15 -4.32 120.51 115.75 1oqk n ALA 77 Ca -0.01 -0.70 0.12 0.00 0.00 0.00 0.00 53.44 52.85 1oqk n ALA 77 Cb 0.02 -0.78 0.23 0.00 0.00 0.00 0.00 19.45 18.92 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 1.30 3.00 -4.60 0.00 4.32 -0.38 -4.89 117.00 115.76 1oqk n LEU 78 Ca 0.14 -1.22 -0.43 0.00 -0.02 0.00 0.00 56.01 54.47 1oqk n LEU 78 Cb 0.58 -0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 42.19 1oqk n LEU 78 CO 0.14 0.61 1.19 -0.69 -1.22 0.00 0.00 177.39 177.43 1oqk s VAL 79 N -1.67 3.97 -0.39 4.08 1.01 -1.26 -4.98 120.40 121.17 1oqk s VAL 79 Ca 0.36 1.00 -0.13 0.00 0.00 0.00 0.00 61.98 63.21 1oqk s VAL 79 Cb 0.21 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1oqk s VAL 79 CO 0.31 -0.79 0.25 0.00 0.00 0.00 0.00 175.10 174.87 1oqk s ALA 80 N 5.19 3.38 0.38 5.51 0.00 -1.25 -5.08 121.76 129.88 1oqk s ALA 80 Ca 0.58 -1.70 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1oqk s ALA 80 Cb -0.12 -2.74 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 1oqk s ALA 80 CO 0.32 -1.39 0.77 1.03 0.00 0.00 0.00 175.76 176.48 1oqk s ARG 81 N 1.62 3.87 0.00 0.00 0.52 -1.26 -4.68 118.95 119.03 1oqk s ARG 81 Ca 0.04 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 1oqk s ARG 81 Cb -0.19 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1oqk s ARG 81 CO 0.08 0.03 0.00 -0.35 0.02 0.00 0.00 175.30 175.08 1oqk n PRO 82 N -0.95 0.00 0.04 3.54 -0.04 -1.26 -3.64 135.00 132.69 1oqk n PRO 82 Ca 0.03 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.71 1oqk n PRO 82 Cb 0.54 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.70 1oqk n PRO 82 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1oqk h GLU 83 N 0.00 0.00 0.00 0.54 5.08 -2.04 0.76 114.58 118.91 1oqk h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1oqk h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1oqk h GLU 83 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 1oqk h GLU 84 N 0.00 0.00 -3.01 2.33 3.07 -2.00 -3.49 114.58 111.48 1oqk h GLU 84 Ca 0.25 0.00 0.34 0.00 -0.50 0.00 0.00 59.36 59.44 1oqk h GLU 84 Cb 1.39 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.17 1oqk h GLU 84 CO -0.00 0.00 -0.78 0.54 -1.40 0.00 0.00 179.01 177.37 1oqk n ARG 85 N -2.56 -2.79 0.00 2.33 1.74 0.26 -5.02 116.66 110.63 1oqk n ARG 85 Ca 0.03 2.06 0.05 0.00 -0.77 0.00 0.00 57.85 59.21 1oqk n ARG 85 Cb 0.34 -3.34 0.04 0.00 -1.02 0.00 0.00 32.46 28.48 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22