#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 2.10 -0.01 -1.55 -3.43 -1.26 -4.86 115.29 106.28 1oqk s HIS 10 Ca 0.00 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.86 1oqk s HIS 10 Cb 0.00 -0.93 0.01 0.00 -1.43 0.00 0.00 32.58 30.23 1oqk s HIS 10 CO 0.00 0.59 0.34 -0.85 -2.00 0.00 0.00 174.74 172.82 1oqk n GLU 11 N -0.50 0.05 -0.69 -0.38 0.28 -1.26 -5.00 120.64 113.14 1oqk n GLU 11 Ca -0.06 -0.07 -0.03 0.00 -0.16 0.00 0.00 57.16 56.84 1oqk n GLU 11 Cb 0.60 0.24 -0.03 0.00 1.43 0.00 0.00 31.44 33.68 1oqk n GLU 11 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1oqk n LEU 12 N -0.05 -0.47 -4.94 -1.84 7.94 -1.26 -5.15 117.00 111.22 1oqk n LEU 12 Ca -0.01 -1.09 -0.24 0.00 -1.11 0.00 0.00 56.01 53.56 1oqk n LEU 12 Cb 0.41 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.37 1oqk n LEU 12 CO -0.01 1.04 0.33 0.27 -1.11 0.00 0.00 177.39 177.91 1oqk s ILE 13 N 0.00 4.26 0.00 1.96 -4.36 -1.26 -4.39 121.20 117.40 1oqk s ILE 13 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.08 1oqk s ILE 13 Cb 0.00 -3.59 0.00 0.00 1.25 0.00 0.00 42.46 40.12 1oqk s ILE 13 CO 0.00 -0.47 0.00 0.61 0.24 0.00 0.00 174.94 175.32 1oqk n GLY 14 N -2.14 0.77 3.78 6.27 0.00 -1.26 -5.07 105.19 107.53 1oqk n GLY 14 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 3.34 -0.04 0.99 1.43 -1.26 -4.77 118.68 118.37 1oqk s LEU 15 Ca 0.00 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 1oqk s LEU 15 Cb 0.00 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1oqk s LEU 15 CO 0.00 -0.37 0.26 -0.44 0.23 0.00 0.00 176.35 176.02 1oqk s SER 16 N -3.92 6.54 -0.01 2.29 0.01 -0.92 -1.79 113.70 115.90 1oqk s SER 16 Ca 0.40 0.63 0.06 0.00 1.31 0.00 0.00 55.95 58.35 1oqk s SER 16 Cb -0.03 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 1oqk s SER 16 CO 0.24 0.33 -0.19 -0.69 0.41 0.00 0.00 173.24 173.34 1oqk s VAL 17 N -1.15 1.51 -0.36 3.43 1.01 0.19 0.48 120.40 125.51 1oqk s VAL 17 Ca 0.22 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1oqk s VAL 17 Cb -0.14 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.08 1oqk s VAL 17 CO 0.11 0.38 0.08 -0.60 0.00 0.00 0.00 175.10 175.08 1oqk s ARG 18 N -0.56 1.47 -0.09 2.72 3.52 -0.53 -1.04 118.95 124.44 1oqk s ARG 18 Ca 0.07 -1.90 -0.30 0.00 -0.13 0.00 0.00 55.73 53.47 1oqk s ARG 18 Cb -0.08 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 1oqk s ARG 18 CO -0.00 -0.97 1.25 0.42 -0.81 0.00 0.00 175.30 175.19 1oqk s ILE 19 N 0.81 4.20 -0.13 4.11 -1.09 0.36 -2.01 121.20 127.44 1oqk s ILE 19 Ca 0.12 1.50 -0.22 0.00 -2.23 0.00 0.00 60.65 59.82 1oqk s ILE 19 Cb -0.20 -3.97 -0.25 0.00 -1.58 0.00 0.00 42.46 36.46 1oqk s ILE 19 CO -0.08 -0.05 0.59 0.00 -1.23 0.00 0.00 174.94 174.17 1oqk h ALA 20 N 7.79 0.10 -1.44 9.38 0.00 -0.97 -2.50 119.26 131.62 1oqk h ALA 20 Ca -0.32 -0.87 0.13 0.00 0.00 0.00 0.00 54.91 53.85 1oqk h ALA 20 Cb 1.14 0.33 -0.28 0.00 0.00 0.00 0.00 17.79 18.98 1oqk h ALA 20 CO 0.91 0.46 0.46 -0.98 0.00 0.00 0.00 179.25 180.11 1oqk s ARG 21 N -2.36 0.32 0.34 0.00 1.70 -1.20 -2.10 118.95 115.65 1oqk s ARG 21 Ca -0.21 0.54 0.09 0.00 -0.47 0.00 0.00 55.73 55.68 1oqk s ARG 21 Cb 0.02 0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 1oqk s ARG 21 CO 0.71 -0.06 0.04 -1.12 -1.08 0.00 0.00 175.30 173.79 1oqk s SER 22 N 1.18 4.32 0.24 -2.89 0.01 -1.26 -2.15 113.70 113.16 1oqk s SER 22 Ca -0.08 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 56.28 1oqk s SER 22 Cb -0.03 -0.59 0.59 0.00 0.21 0.00 0.00 66.02 66.19 1oqk s SER 22 CO -0.13 -0.24 1.19 0.55 0.41 0.00 0.00 173.24 175.02 1oqk n VAL 23 N -1.00 -0.32 -3.07 3.43 3.14 0.15 -4.18 118.33 116.49 1oqk n VAL 23 Ca -0.04 1.67 -0.39 0.00 -2.96 0.00 0.00 64.34 62.62 1oqk n VAL 23 Cb 0.62 -2.45 -0.06 0.00 -1.06 0.00 0.00 33.84 30.90 1oqk n VAL 23 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1oqk s HIS 24 N -5.67 3.79 -0.04 1.45 5.65 -1.26 -4.97 115.29 114.24 1oqk s HIS 24 Ca -0.10 1.44 0.28 0.00 0.25 0.00 0.00 55.06 56.94 1oqk s HIS 24 Cb 0.22 -2.72 0.97 0.00 -1.18 0.00 0.00 32.58 29.87 1oqk s HIS 24 CO 0.59 0.41 1.84 0.00 -0.65 0.00 0.00 174.74 176.93 1oqk h ARG 25 N 5.10 0.00 -0.22 2.88 3.08 -2.00 -3.03 114.38 120.20 1oqk h ARG 25 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1oqk h ARG 25 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1oqk h ARG 25 CO 0.68 0.06 0.00 -0.25 -1.07 0.00 0.00 179.97 179.39 1oqk n ASP 26 N -3.15 1.29 -0.02 7.04 9.92 -1.26 -3.68 116.55 126.69 1oqk n ASP 26 Ca 0.01 -1.90 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1oqk n ASP 26 Cb 0.40 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 0.17 0.33 -2.83 0.53 -5.35 -1.15 -5.05 119.36 106.01 1oqk n ILE 27 Ca 0.10 -0.34 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 1oqk n ILE 27 Cb 0.22 0.82 -0.04 0.00 -1.74 0.00 0.00 39.64 38.90 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 -0.34 4.22 0.00 6.28 -2.07 -1.23 -3.72 119.66 122.79 1oqk s GLN 28 Ca 0.00 1.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.61 1oqk s GLN 28 Cb 0.00 -3.64 0.00 0.00 -1.09 0.00 0.00 33.01 28.29 1oqk s GLN 28 CO 0.00 -0.53 0.00 0.41 -1.32 0.00 0.00 175.29 173.85 1oqk n GLY 29 N 3.60 1.28 3.71 2.60 0.00 -0.89 -4.83 105.19 110.66 1oqk n GLY 29 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 4.70 -0.10 -0.61 1.01 -0.97 -4.82 121.20 118.41 1oqk s ILE 30 Ca 0.00 1.98 0.03 0.00 0.00 0.00 0.00 60.65 62.66 1oqk s ILE 30 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1oqk s ILE 30 CO 0.00 0.18 -0.17 -0.55 0.00 0.00 0.00 174.94 174.40 1oqk s SER 31 N 0.85 2.49 0.00 3.58 0.15 -1.26 0.13 113.70 119.64 1oqk s SER 31 Ca 0.52 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1oqk s SER 31 Cb -0.22 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 1oqk s SER 31 CO 0.29 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.40 1oqk n GLY 32 N 3.89 0.82 4.01 9.45 0.00 -0.21 -5.01 105.19 118.14 1oqk n GLY 32 Ca -0.20 -0.64 -0.18 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 0.49 2.69 0.17 1.61 3.00 -1.25 0.56 118.95 126.21 1oqk s ARG 33 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 55.73 54.53 1oqk s ARG 33 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 34.95 32.22 1oqk s ARG 33 CO 0.00 -0.44 0.27 0.54 0.00 0.00 0.00 175.30 175.67 1oqk s VAL 34 N -2.47 5.20 0.00 3.52 0.11 0.25 0.48 120.40 127.49 1oqk s VAL 34 Ca 0.57 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1oqk s VAL 34 Cb -0.09 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 1oqk s VAL 34 CO 0.35 -0.13 0.00 0.52 -3.33 0.00 0.00 175.10 172.51 1oqk n VAL 35 N -0.66 0.00 -3.72 2.04 0.31 0.45 -1.97 118.33 114.78 1oqk n VAL 35 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1oqk n VAL 35 Cb 0.55 -1.21 -0.02 0.00 -0.91 0.00 0.00 33.84 32.24 1oqk n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1oqk s ASP 36 N -4.97 -0.35 -0.13 4.52 2.15 -0.98 -4.90 116.67 112.01 1oqk s ASP 36 Ca 0.00 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.58 1oqk s ASP 36 Cb 0.00 0.68 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1oqk s ASP 36 CO 0.00 -1.22 -0.21 -0.70 -0.17 0.00 0.00 175.17 172.87 1oqk s GLU 37 N -3.85 3.08 0.18 4.34 2.12 -1.26 -0.64 118.70 122.67 1oqk s GLU 37 Ca 0.08 -0.84 0.10 0.00 0.36 0.00 0.00 54.97 54.67 1oqk s GLU 37 Cb -0.04 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1oqk s GLU 37 CO 0.01 0.05 -0.20 0.99 -0.54 0.00 0.00 175.26 175.57 1oqk s THR 38 N 0.66 2.01 0.33 -1.70 2.01 0.14 -4.99 115.64 114.10 1oqk s THR 38 Ca -0.10 -1.98 0.10 0.00 0.31 0.00 0.00 61.69 60.02 1oqk s THR 38 Cb -0.16 -1.95 0.38 0.00 0.01 0.00 0.00 72.50 70.77 1oqk s THR 38 CO 0.02 -0.27 1.58 0.08 -0.69 0.00 0.00 174.62 175.34 1oqk h ARG 39 N 3.17 0.03 0.00 4.92 0.11 -1.88 -2.57 114.38 118.16 1oqk h ARG 39 Ca -0.43 -0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.51 1oqk h ARG 39 Cb 1.21 -0.01 -0.28 0.00 1.11 0.00 0.00 29.97 32.00 1oqk h ARG 39 CO 0.51 0.02 -0.89 0.27 0.10 0.00 0.00 179.97 179.98 1oqk n ASN 40 N -5.36 0.88 -3.68 0.08 2.04 -1.26 -2.92 115.26 105.04 1oqk n ASN 40 Ca 0.30 -2.14 -0.15 0.00 -0.44 0.00 0.00 54.58 52.15 1oqk n ASN 40 Cb 0.98 -0.30 -0.08 0.00 -2.53 0.00 0.00 39.78 37.85 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 -0.25 0.03 -0.24 5.53 -4.23 -0.97 -3.71 115.64 111.79 1oqk s THR 41 Ca 0.28 -0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1oqk s THR 41 Cb 0.31 -0.73 0.06 0.00 1.34 0.00 0.00 72.50 73.48 1oqk s THR 41 CO -0.13 -0.12 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.53 1oqk s LEU 42 N -0.83 2.90 -0.17 4.79 1.98 0.27 0.29 118.68 127.90 1oqk s LEU 42 Ca -0.09 -1.24 -0.29 0.00 -2.89 0.00 0.00 54.13 49.62 1oqk s LEU 42 Cb -0.03 -1.34 -0.00 0.00 0.66 0.00 0.00 46.19 45.48 1oqk s LEU 42 CO 0.05 -0.21 1.05 -0.13 -1.89 0.00 0.00 176.35 175.22 1oqk s ARG 43 N 1.27 4.32 -0.42 1.98 0.52 0.19 -0.18 118.95 126.63 1oqk s ARG 43 Ca -0.07 1.40 -0.09 0.00 -0.52 0.00 0.00 55.73 56.45 1oqk s ARG 43 Cb -0.19 -3.61 0.08 0.00 0.52 0.00 0.00 34.95 31.75 1oqk s ARG 43 CO -0.06 -0.51 0.27 0.42 0.02 0.00 0.00 175.30 175.44 1oqk s ILE 44 N 2.75 4.26 0.02 1.52 -1.09 0.28 0.17 121.20 129.11 1oqk s ILE 44 Ca 0.47 -1.41 0.07 0.00 -2.23 0.00 0.00 60.65 57.54 1oqk s ILE 44 Cb -0.17 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1oqk s ILE 44 CO 0.11 -0.53 -0.20 -0.70 -1.23 0.00 0.00 174.94 172.40 1oqk s GLU 45 N 1.43 1.42 -0.12 2.79 2.12 0.18 0.96 118.70 127.47 1oqk s GLU 45 Ca 0.03 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.51 1oqk s GLU 45 Cb -0.23 -1.47 -0.03 0.00 0.26 0.00 0.00 34.13 32.66 1oqk s GLU 45 CO 0.02 0.38 -0.03 -1.64 -0.54 0.00 0.00 175.26 173.45 1oqk s MET 46 N -0.90 3.32 0.60 4.30 -1.94 0.90 0.86 119.30 126.44 1oqk s MET 46 Ca 0.07 -0.49 0.28 0.00 -1.71 0.00 0.00 55.69 53.84 1oqk s MET 46 Cb -0.08 -2.83 1.31 0.00 2.01 0.00 0.00 34.83 35.24 1oqk s MET 46 CO 0.01 0.45 1.72 -0.44 -0.01 0.00 0.00 175.02 176.75 1oqk h ASP 47 N 6.00 0.00 0.23 3.03 3.32 -1.91 0.61 116.42 127.71 1oqk h ASP 47 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1oqk h ASP 47 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1oqk h ASP 47 CO 0.59 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.58 1oqk n ASP 48 N -3.47 0.00 0.00 6.45 8.00 -1.26 -4.78 116.55 121.48 1oqk n ASP 48 Ca 0.11 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1oqk n ASP 48 Cb 0.88 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oqk n GLY 49 N -0.78 1.29 3.79 0.44 0.00 0.21 -5.11 105.19 105.03 1oqk n GLY 49 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.22 2.99 -0.06 1.61 0.52 -0.89 -4.95 118.95 117.95 1oqk s ARG 50 Ca 0.00 -0.60 -0.09 0.00 -0.52 0.00 0.00 55.73 54.52 1oqk s ARG 50 Cb 0.00 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.69 1oqk s ARG 50 CO 0.00 0.60 0.24 -1.21 0.02 0.00 0.00 175.30 174.95 1oqk s GLU 51 N -2.18 0.39 -0.26 3.54 2.02 -1.26 -0.07 118.70 120.89 1oqk s GLU 51 Ca 0.28 0.13 -0.23 0.00 0.02 0.00 0.00 54.97 55.16 1oqk s GLU 51 Cb -0.12 0.18 0.07 0.00 0.10 0.00 0.00 34.13 34.36 1oqk s GLU 51 CO 0.20 -0.07 0.69 -1.50 0.02 0.00 0.00 175.26 174.59 1oqk s ILE 52 N -0.38 -0.00 0.21 -1.63 2.07 0.27 -4.97 121.20 116.77 1oqk s ILE 52 Ca -0.05 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.11 1oqk s ILE 52 Cb -0.03 -0.96 -0.07 0.00 0.13 0.00 0.00 42.46 41.53 1oqk s ILE 52 CO 0.01 0.00 0.52 0.28 -1.91 0.00 0.00 174.94 173.84 1oqk s THR 53 N 0.45 4.98 -0.22 4.00 -1.32 -1.26 0.10 115.64 122.37 1oqk s THR 53 Ca -0.01 0.38 -0.05 0.00 -1.21 0.00 0.00 61.69 60.80 1oqk s THR 53 Cb -0.05 -3.62 0.11 0.00 -1.51 0.00 0.00 72.50 67.44 1oqk s THR 53 CO -0.00 -0.05 0.42 -0.69 -2.21 0.00 0.00 174.62 172.08 1oqk s VAL 54 N -1.79 -0.66 0.01 5.08 1.01 0.75 -4.88 120.40 119.92 1oqk s VAL 54 Ca 0.46 0.07 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1oqk s VAL 54 Cb -0.11 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 1oqk s VAL 54 CO 0.22 -0.01 1.91 -2.65 0.00 0.00 0.00 175.10 174.57 1oqk n PRO 55 N 5.38 2.60 0.00 2.72 -0.02 -1.26 0.97 135.00 145.39 1oqk n PRO 55 Ca -0.06 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.48 1oqk n PRO 55 Cb 0.50 -2.85 0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1oqk n PRO 55 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1oqk n LYS 56 N 6.82 1.79 -0.10 -0.52 2.85 -1.24 -4.46 118.16 123.30 1oqk n LYS 56 Ca 0.21 -1.48 0.27 0.00 -1.05 0.00 0.00 58.31 56.25 1oqk n LYS 56 Cb 0.36 -1.44 0.68 0.00 -0.65 0.00 0.00 35.03 33.98 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 4.55 0.00 -5.27 2.58 0.00 -1.70 -2.98 103.07 100.25 1oqk h GLY 57 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1oqk h GLY 57 CO 0.00 0.00 -0.65 1.39 0.00 0.00 0.00 176.54 177.28 1oqk n ILE 58 N -3.76 -0.08 -3.71 2.60 -0.00 -0.69 -3.40 119.36 110.32 1oqk n ILE 58 Ca 0.16 -2.29 -0.27 0.00 -0.00 0.00 0.00 62.75 60.35 1oqk n ILE 58 Cb 1.00 0.91 -0.17 0.00 -0.00 0.00 0.00 39.64 41.38 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 -0.28 0.85 0.05 -1.39 0.00 -1.01 -0.67 121.76 119.30 1oqk s ALA 59 Ca 0.28 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1oqk s ALA 59 Cb 0.28 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1oqk s ALA 59 CO -0.10 -1.15 1.12 0.54 0.00 0.00 0.00 175.76 176.17 1oqk s VAL 60 N 1.93 4.30 0.22 0.00 0.11 -0.91 -0.03 120.40 126.02 1oqk s VAL 60 Ca -0.00 1.66 -0.18 0.00 -2.93 0.00 0.00 61.98 60.54 1oqk s VAL 60 Cb -0.17 -4.07 0.02 0.00 -1.53 0.00 0.00 36.38 30.64 1oqk s VAL 60 CO -0.08 0.14 0.56 0.72 -3.33 0.00 0.00 175.10 173.11 1oqk s PHE 61 N 0.98 -0.06 -0.06 1.54 -0.12 -0.18 -0.37 117.98 119.70 1oqk s PHE 61 Ca 0.56 -0.30 -0.01 0.00 -0.05 0.00 0.00 56.93 57.13 1oqk s PHE 61 Cb -0.27 0.43 0.03 0.00 -0.63 0.00 0.00 43.02 42.58 1oqk s PHE 61 CO 0.29 -1.00 -0.00 -1.01 -0.05 0.00 0.00 175.22 173.45 1oqk s HIS 62 N -3.90 0.62 0.01 3.49 3.76 -0.85 0.19 115.29 118.60 1oqk s HIS 62 Ca 0.12 -0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 54.81 1oqk s HIS 62 Cb -0.02 -0.74 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 1oqk s HIS 62 CO 0.01 -0.29 0.28 -0.59 -0.85 0.00 0.00 174.74 173.30 1oqk s PHE 63 N 1.80 3.59 -0.26 1.40 -0.12 0.20 -1.45 117.98 123.14 1oqk s PHE 63 Ca 0.02 0.61 -0.05 0.00 -0.05 0.00 0.00 56.93 57.46 1oqk s PHE 63 Cb -0.13 -2.02 -0.00 0.00 -0.63 0.00 0.00 43.02 40.24 1oqk s PHE 63 CO -0.04 0.61 0.03 0.50 -0.05 0.00 0.00 175.22 176.26 1oqk s ARG 64 N -1.71 3.27 -0.04 1.99 3.00 0.18 -0.22 118.95 125.41 1oqk s ARG 64 Ca 0.27 -0.72 -0.28 0.00 -1.00 0.00 0.00 55.73 54.01 1oqk s ARG 64 Cb -0.13 -3.21 -0.03 0.00 0.00 0.00 0.00 34.95 31.57 1oqk s ARG 64 CO 0.16 -0.31 0.89 0.99 0.00 0.00 0.00 175.30 177.03 1oqk s THR 65 N 1.50 4.91 0.60 4.11 2.01 0.19 -2.18 115.64 126.79 1oqk s THR 65 Ca 0.04 1.85 0.28 0.00 0.31 0.00 0.00 61.69 64.18 1oqk s THR 65 Cb -0.16 -4.23 0.40 0.00 0.01 0.00 0.00 72.50 68.53 1oqk s THR 65 CO 0.00 0.17 1.50 -0.65 -0.69 0.00 0.00 174.62 174.95 1oqk h PRO 66 N 6.85 0.00 0.00 4.92 0.11 -1.86 0.67 132.00 142.69 1oqk h PRO 66 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1oqk h PRO 66 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1oqk h PRO 66 CO 0.77 0.00 0.00 0.37 -0.21 0.00 0.00 178.00 178.93 1oqk h GLN 67 N 0.00 0.00 0.00 1.05 4.15 -1.99 -3.44 115.11 114.88 1oqk h GLN 67 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.84 1oqk h GLN 67 Cb 2.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.10 1oqk h GLN 67 CO -0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 1oqk n GLY 68 N -1.19 1.77 3.28 2.39 0.00 0.23 -5.12 105.19 106.55 1oqk n GLY 68 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.60 1.12 0.10 1.61 -1.05 -0.96 -4.99 118.70 113.93 1oqk s GLU 69 Ca 0.00 -1.24 0.08 0.00 -0.15 0.00 0.00 54.97 53.66 1oqk s GLU 69 Cb 0.00 -1.20 -0.04 0.00 -0.44 0.00 0.00 34.13 32.45 1oqk s GLU 69 CO 0.00 0.26 -0.16 -0.51 0.95 0.00 0.00 175.26 175.80 1oqk s LEU 70 N -2.26 2.78 -0.00 1.83 1.43 -1.26 0.53 118.68 121.73 1oqk s LEU 70 Ca 0.09 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1oqk s LEU 70 Cb -0.07 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 1oqk s LEU 70 CO 0.05 0.19 -0.03 -0.69 0.23 0.00 0.00 176.35 176.10 1oqk s VAL 71 N -1.13 0.22 -0.17 -1.59 1.01 0.69 -4.97 120.40 114.47 1oqk s VAL 71 Ca 0.18 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1oqk s VAL 71 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1oqk s VAL 71 CO 0.10 0.06 0.11 -1.83 0.00 0.00 0.00 175.10 173.55 1oqk s GLU 72 N -0.06 3.87 -0.02 2.72 -1.05 -1.26 -0.63 118.70 122.28 1oqk s GLU 72 Ca 0.01 -0.24 0.02 0.00 -0.15 0.00 0.00 54.97 54.62 1oqk s GLU 72 Cb -0.01 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 1oqk s GLU 72 CO -0.00 0.44 -0.09 0.42 0.95 0.00 0.00 175.26 176.99 1oqk s ILE 73 N -0.08 0.73 -0.54 1.83 1.09 0.13 -4.98 121.20 119.37 1oqk s ILE 73 Ca 0.09 -0.35 -0.15 0.00 -1.10 0.00 0.00 60.65 59.14 1oqk s ILE 73 Cb -0.12 -0.64 0.13 0.00 -1.06 0.00 0.00 42.46 40.77 1oqk s ILE 73 CO 0.00 0.22 0.49 -1.81 -0.10 0.00 0.00 174.94 173.75 1oqk s ASP 74 N 0.08 6.16 0.18 3.58 1.11 -1.26 -1.01 116.67 125.50 1oqk s ASP 74 Ca -0.01 -1.82 0.10 0.00 0.18 0.00 0.00 52.55 51.00 1oqk s ASP 74 Cb -0.07 -2.19 0.57 0.00 1.07 0.00 0.00 42.92 42.29 1oqk s ASP 74 CO 0.00 -0.84 1.27 0.61 1.18 0.00 0.00 175.17 177.39 1oqk n GLY 75 N 5.19 -0.63 0.25 0.21 0.00 0.96 -1.03 105.19 110.14 1oqk n GLY 75 Ca -0.13 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1oqk n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1oqk h ARG 76 N 0.00 0.00 -0.04 1.61 9.65 -1.76 -1.75 114.38 122.09 1oqk h ARG 76 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1oqk h ARG 76 Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1oqk h ARG 76 CO 0.00 0.11 0.00 0.00 2.80 0.00 0.00 179.97 182.88 1oqk n ALA 77 N -2.16 2.48 -0.48 2.80 0.00 -0.20 -4.24 120.51 118.71 1oqk n ALA 77 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 53.44 52.71 1oqk n ALA 77 Cb 0.37 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 19.15 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 1.18 5.09 -4.26 0.00 7.99 -0.99 -4.99 117.00 121.02 1oqk n LEU 78 Ca 0.15 -2.65 -0.34 0.00 -0.01 0.00 0.00 56.01 53.16 1oqk n LEU 78 Cb 0.56 -0.69 0.11 0.00 -0.11 0.00 0.00 43.42 43.29 1oqk n LEU 78 CO 0.15 0.72 -0.63 0.55 -1.51 0.00 0.00 177.39 176.68 1oqk n VAL 79 N -0.17 0.00 -0.86 4.08 3.14 -1.22 -4.03 118.33 119.27 1oqk n VAL 79 Ca 0.32 -0.26 -0.35 0.00 -2.96 0.00 0.00 64.34 61.09 1oqk n VAL 79 Cb 1.15 -0.43 0.09 0.00 -1.06 0.00 0.00 33.84 33.59 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1oqk n ALA 80 N -3.55 -4.28 -3.87 1.55 0.00 -1.15 -4.46 120.51 104.75 1oqk n ALA 80 Ca 0.03 -0.90 -0.34 0.00 0.00 0.00 0.00 53.44 52.24 1oqk n ALA 80 Cb 0.58 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 1oqk n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1oqk s ARG 81 N -2.86 2.74 0.00 0.00 0.52 -1.26 -4.88 118.95 113.21 1oqk s ARG 81 Ca 0.48 -1.03 0.22 0.00 -0.52 0.00 0.00 55.73 54.88 1oqk s ARG 81 Cb -0.13 -2.88 1.29 0.00 0.52 0.00 0.00 34.95 33.74 1oqk s ARG 81 CO 0.72 -0.40 1.76 -0.35 0.02 0.00 0.00 175.30 177.04 1oqk n PRO 82 N 4.61 0.88 -0.00 3.54 -0.04 -1.26 -1.01 135.00 141.72 1oqk n PRO 82 Ca -0.17 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1oqk n PRO 82 Cb 0.47 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 1oqk n PRO 82 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1oqk n GLU 83 N -0.88 0.33 -0.07 0.54 2.13 -1.26 -4.48 120.64 116.95 1oqk n GLU 83 Ca 0.16 -0.07 -0.07 0.00 0.66 0.00 0.00 57.16 57.84 1oqk n GLU 83 Cb 0.07 -1.49 -0.10 0.00 0.27 0.00 0.00 31.44 30.19 1oqk n GLU 83 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1oqk n GLU 84 N -1.77 1.71 0.00 5.31 1.02 -1.16 -4.98 120.64 120.78 1oqk n GLU 84 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1oqk n GLU 84 Cb 0.41 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1oqk n GLU 84 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1oqk n ARG 85 N -2.54 0.00 0.00 3.49 3.00 -1.17 -5.14 116.66 114.31 1oqk n ARG 85 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.63 1oqk n ARG 85 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.37 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74