#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 -3.22 -1.36 -1.55 8.25 -1.26 -4.94 115.22 111.14 1oqk n HIS 10 Ca 0.00 1.39 -0.19 0.00 -0.26 0.00 0.00 57.72 58.66 1oqk n HIS 10 Cb 0.00 -3.62 0.16 0.00 1.12 0.00 0.00 29.99 27.65 1oqk n HIS 10 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1oqk n GLU 11 N 0.32 2.25 0.16 -0.41 4.71 -1.26 -4.48 120.64 121.94 1oqk n GLU 11 Ca 0.03 -3.17 0.08 0.00 -0.01 0.00 0.00 57.16 54.08 1oqk n GLU 11 Cb 0.11 -2.08 0.07 0.00 -1.01 0.00 0.00 31.44 28.53 1oqk n GLU 11 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1oqk h LEU 12 N 1.21 0.00-10.29 -4.62 5.85 -2.01 -3.46 115.31 101.99 1oqk h LEU 12 Ca 0.49 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.71 1oqk h LEU 12 Cb 2.11 0.00 0.04 0.00 0.37 0.00 0.00 40.66 43.18 1oqk h LEU 12 CO 0.93 0.20 0.30 -0.63 -0.34 0.00 0.00 178.44 178.91 1oqk s ILE 13 N -3.14 4.73 0.00 4.05 -1.09 -1.26 -4.17 121.20 120.32 1oqk s ILE 13 Ca 0.04 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1oqk s ILE 13 Cb 0.07 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1oqk s ILE 13 CO 0.73 -0.91 0.00 0.61 -1.23 0.00 0.00 174.94 174.14 1oqk n GLY 14 N -2.22 0.09 3.78 6.18 0.00 -1.26 -5.07 105.19 106.68 1oqk n GLY 14 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1oqk n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1oqk s LEU 15 N 0.00 3.35 0.37 0.99 0.05 -1.26 -4.73 118.68 117.46 1oqk s LEU 15 Ca 0.00 -0.73 -0.03 0.00 0.05 0.00 0.00 54.13 53.42 1oqk s LEU 15 Cb 0.00 -1.87 -0.04 0.00 -2.05 0.00 0.00 46.19 42.23 1oqk s LEU 15 CO 0.00 -0.38 0.63 -0.44 -0.55 0.00 0.00 176.35 175.61 1oqk s SER 16 N -3.92 6.33 -0.01 1.48 0.01 -0.56 -3.29 113.70 113.74 1oqk s SER 16 Ca 0.40 0.68 0.03 0.00 1.31 0.00 0.00 55.95 58.37 1oqk s SER 16 Cb -0.03 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 1oqk s SER 16 CO 0.24 -0.36 -0.11 0.54 0.41 0.00 0.00 173.24 173.96 1oqk s VAL 17 N -2.39 0.89 -0.08 3.43 0.11 0.11 -1.86 120.40 120.61 1oqk s VAL 17 Ca 0.43 -0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1oqk s VAL 17 Cb -0.10 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1oqk s VAL 17 CO 0.37 0.26 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.24 1oqk s ARG 18 N -0.20 0.90 -0.01 1.54 0.52 -0.73 -0.34 118.95 120.63 1oqk s ARG 18 Ca 0.03 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.06 1oqk s ARG 18 Cb -0.05 -1.17 -0.06 0.00 0.52 0.00 0.00 34.95 34.20 1oqk s ARG 18 CO -0.00 -0.29 0.48 0.42 0.02 0.00 0.00 175.30 175.92 1oqk s ILE 19 N 1.88 4.99 -0.21 1.52 1.09 -1.25 0.05 121.20 129.28 1oqk s ILE 19 Ca 0.05 0.98 0.08 0.00 -1.10 0.00 0.00 60.65 60.66 1oqk s ILE 19 Cb -0.12 -3.80 -0.21 0.00 -1.06 0.00 0.00 42.46 37.26 1oqk s ILE 19 CO -0.06 0.50 0.02 0.00 -0.10 0.00 0.00 174.94 175.29 1oqk n ALA 20 N 2.34 1.41 -3.20 9.38 0.00 0.50 -3.90 120.51 127.04 1oqk n ALA 20 Ca -0.11 -1.12 -0.13 0.00 0.00 0.00 0.00 53.44 52.09 1oqk n ALA 20 Cb 0.52 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.52 0.50 0.12 0.00 6.06 -0.80 -4.38 118.95 117.93 1oqk s ARG 21 Ca -0.22 0.04 -0.01 0.00 -2.50 0.00 0.00 55.73 53.05 1oqk s ARG 21 Cb 0.08 0.23 -0.04 0.00 0.06 0.00 0.00 34.95 35.27 1oqk s ARG 21 CO 0.72 -0.11 0.03 -1.12 -2.50 0.00 0.00 175.30 172.32 1oqk s SER 22 N -0.69 0.41 0.22 -2.12 0.01 -1.26 -2.10 113.70 108.17 1oqk s SER 22 Ca -0.08 -1.16 0.10 0.00 1.31 0.00 0.00 55.95 56.12 1oqk s SER 22 Cb -0.04 0.26 0.13 0.00 0.21 0.00 0.00 66.02 66.58 1oqk s SER 22 CO 0.02 -0.69 1.47 1.62 0.41 0.00 0.00 173.24 176.08 1oqk h VAL 23 N 2.91 1.46 -3.64 3.43 3.04 -1.80 -3.44 116.25 118.21 1oqk h VAL 23 Ca -0.35 -2.60 -0.68 0.00 -1.01 0.00 0.00 66.70 62.06 1oqk h VAL 23 Cb 1.19 2.43 -0.21 0.00 -2.01 0.00 0.00 31.29 32.69 1oqk h VAL 23 CO 0.61 0.73 -0.71 -1.00 -1.01 0.00 0.00 177.57 176.18 1oqk s HIS 24 N -3.19 2.89 0.32 3.17 3.76 -1.26 -5.01 115.29 115.97 1oqk s HIS 24 Ca 0.00 -0.13 0.25 0.00 -0.15 0.00 0.00 55.06 55.03 1oqk s HIS 24 Cb 0.11 -1.75 1.23 0.00 1.11 0.00 0.00 32.58 33.28 1oqk s HIS 24 CO 0.78 0.19 1.97 -0.09 -0.85 0.00 0.00 174.74 176.74 1oqk h ARG 25 N 5.65 0.00 0.00 1.40 2.43 -1.95 -1.20 114.38 120.71 1oqk h ARG 25 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1oqk h ARG 25 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1oqk h ARG 25 CO 0.54 0.17 0.00 -0.40 -1.51 0.00 0.00 179.97 178.77 1oqk n ASP 26 N -3.57 0.00 0.00 -3.80 5.75 -1.26 -3.60 116.55 110.07 1oqk n ASP 26 Ca -0.01 -0.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 1oqk n ASP 26 Cb 0.32 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1oqk n ILE 27 N -1.04 0.00 -1.80 2.12 -5.35 -0.96 -5.01 119.36 107.33 1oqk n ILE 27 Ca 0.20 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.28 1oqk n ILE 27 Cb 0.11 0.25 0.02 0.00 -1.74 0.00 0.00 39.64 38.29 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 -0.84 3.58 -1.62 6.28 0.74 -0.49 -2.05 119.66 125.26 1oqk s GLN 28 Ca 0.00 2.37 0.00 0.00 0.05 0.00 0.00 55.36 57.78 1oqk s GLN 28 Cb 0.00 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.53 1oqk s GLN 28 CO 0.00 -0.88 0.00 0.41 -0.55 0.00 0.00 175.29 174.27 1oqk n GLY 29 N 0.61 1.50 3.43 2.59 0.00 -1.25 -4.95 105.19 107.12 1oqk n GLY 29 Ca 0.06 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 5.11 0.49 -0.61 -1.09 -0.87 -4.92 121.20 116.91 1oqk s ILE 30 Ca 0.00 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 1oqk s ILE 30 Cb 0.00 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1oqk s ILE 30 CO 0.00 -0.35 0.72 -0.94 -1.23 0.00 0.00 174.94 173.14 1oqk s SER 31 N 1.82 5.63 0.00 3.58 1.04 -1.26 -3.90 113.70 120.61 1oqk s SER 31 Ca 0.04 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1oqk s SER 31 Cb -0.20 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.61 1oqk s SER 31 CO 0.09 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1oqk n GLY 32 N -2.19 -0.66 4.00 7.32 0.00 0.53 -4.99 105.19 109.20 1oqk n GLY 32 Ca 0.04 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.88 2.74 0.16 1.61 3.00 -1.26 0.07 118.95 124.39 1oqk s ARG 33 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 55.73 54.60 1oqk s ARG 33 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 34.95 32.22 1oqk s ARG 33 CO 0.00 -0.40 0.22 0.54 0.00 0.00 0.00 175.30 175.66 1oqk s VAL 34 N -2.46 4.92 0.00 3.52 0.11 0.20 -1.24 120.40 125.46 1oqk s VAL 34 Ca 0.56 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1oqk s VAL 34 Cb -0.10 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1oqk s VAL 34 CO 0.34 -0.11 0.00 0.52 -3.33 0.00 0.00 175.10 172.53 1oqk n VAL 35 N -0.48 0.01 -3.73 2.04 0.31 0.46 -1.69 118.33 115.24 1oqk n VAL 35 Ca -0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1oqk n VAL 35 Cb 0.54 -0.98 -0.02 0.00 -0.91 0.00 0.00 33.84 32.48 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 -5.01 -0.33 -0.08 4.52 2.15 -1.00 -4.91 116.67 112.01 1oqk s ASP 36 Ca 0.00 -0.43 0.02 0.00 0.43 0.00 0.00 52.55 52.57 1oqk s ASP 36 Cb 0.00 0.67 0.02 0.00 -0.30 0.00 0.00 42.92 43.30 1oqk s ASP 36 CO 0.00 -1.20 -0.12 -0.70 -0.17 0.00 0.00 175.17 172.98 1oqk s GLU 37 N -3.81 1.75 0.17 4.34 2.12 -1.26 -1.30 118.70 120.71 1oqk s GLU 37 Ca 0.09 -0.41 0.10 0.00 0.36 0.00 0.00 54.97 55.10 1oqk s GLU 37 Cb -0.04 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 1oqk s GLU 37 CO 0.01 -0.03 -0.21 0.99 -0.54 0.00 0.00 175.26 175.48 1oqk s THR 38 N 0.89 2.01 0.45 -1.70 2.01 0.16 -5.01 115.64 114.44 1oqk s THR 38 Ca -0.10 -1.93 0.33 0.00 0.31 0.00 0.00 61.69 60.30 1oqk s THR 38 Cb -0.15 -1.92 0.52 0.00 0.01 0.00 0.00 72.50 70.96 1oqk s THR 38 CO 0.01 -0.22 1.59 0.08 -0.69 0.00 0.00 174.62 175.40 1oqk h ARG 39 N 3.31 0.03 0.00 4.92 -0.00 -1.90 -2.49 114.38 118.25 1oqk h ARG 39 Ca -0.44 -0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.44 1oqk h ARG 39 Cb 1.20 -0.01 -0.18 0.00 -0.00 0.00 0.00 29.97 30.99 1oqk h ARG 39 CO 0.49 0.02 -0.63 0.27 -0.00 0.00 0.00 179.97 180.12 1oqk n ASN 40 N -4.65 0.25 -3.65 0.08 2.04 -1.26 -2.77 115.26 105.30 1oqk n ASN 40 Ca 0.40 -1.88 -0.15 0.00 -0.44 0.00 0.00 54.58 52.51 1oqk n ASN 40 Cb 1.56 -0.14 -0.08 0.00 -2.53 0.00 0.00 39.78 38.60 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 0.00 0.02 0.23 5.53 -4.23 -0.94 -2.56 115.64 113.69 1oqk s THR 41 Ca 0.14 -0.17 0.11 0.00 -1.18 0.00 0.00 61.69 60.59 1oqk s THR 41 Cb 0.16 -0.79 -0.05 0.00 1.34 0.00 0.00 72.50 73.16 1oqk s THR 41 CO -0.07 -0.09 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.99 1oqk s LEU 42 N -0.81 2.70 -0.12 4.79 1.43 0.56 0.38 118.68 127.61 1oqk s LEU 42 Ca -0.09 -0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1oqk s LEU 42 Cb -0.03 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1oqk s LEU 42 CO 0.05 0.08 -0.07 -0.13 0.23 0.00 0.00 176.35 176.51 1oqk s ARG 43 N -3.10 1.47 -0.46 1.70 1.81 -0.42 -0.16 118.95 119.79 1oqk s ARG 43 Ca 0.26 -0.29 -0.12 0.00 -1.72 0.00 0.00 55.73 53.86 1oqk s ARG 43 Cb -0.07 -1.65 0.09 0.00 -0.45 0.00 0.00 34.95 32.87 1oqk s ARG 43 CO 0.14 -0.30 0.34 0.42 -0.68 0.00 0.00 175.30 175.22 1oqk s ILE 44 N 1.71 4.69 -0.06 1.52 1.01 0.18 0.17 121.20 130.42 1oqk s ILE 44 Ca 0.04 -1.33 0.04 0.00 0.00 0.00 0.00 60.65 59.40 1oqk s ILE 44 Cb -0.13 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1oqk s ILE 44 CO -0.08 -0.60 -0.17 -0.70 0.00 0.00 0.00 174.94 173.39 1oqk s GLU 45 N 1.51 2.58 -0.12 2.79 2.12 -0.37 0.10 118.70 127.31 1oqk s GLU 45 Ca 0.04 -0.76 -0.04 0.00 0.36 0.00 0.00 54.97 54.57 1oqk s GLU 45 Cb -0.25 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1oqk s GLU 45 CO 0.03 0.52 0.02 -1.64 -0.54 0.00 0.00 175.26 173.65 1oqk s MET 46 N -0.47 3.37 0.60 4.30 -1.94 0.30 0.60 119.30 126.05 1oqk s MET 46 Ca 0.06 -0.39 0.28 0.00 -1.71 0.00 0.00 55.69 53.93 1oqk s MET 46 Cb -0.12 -2.94 1.30 0.00 2.01 0.00 0.00 34.83 35.08 1oqk s MET 46 CO 0.01 0.53 1.69 0.38 -0.01 0.00 0.00 175.02 177.62 1oqk h ASP 47 N 5.77 0.00 0.26 3.03 2.03 -1.91 0.83 116.42 126.43 1oqk h ASP 47 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1oqk h ASP 47 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1oqk h ASP 47 CO 0.60 0.00 0.00 0.47 -1.03 0.00 0.00 179.24 179.28 1oqk n ASP 48 N -3.52 0.16 0.00 4.15 9.92 -1.26 -4.79 116.55 121.21 1oqk n ASP 48 Ca 0.13 0.56 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 1oqk n ASP 48 Cb 0.97 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 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 -0.77 1.43 3.85 0.44 0.00 0.28 -5.11 105.19 105.30 1oqk n GLY 49 Ca 0.01 0.00 -0.23 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 -0.36 3.02 -0.17 1.61 0.52 -0.88 -4.94 118.95 117.76 1oqk s ARG 50 Ca 0.00 -0.95 -0.15 0.00 -0.52 0.00 0.00 55.73 54.11 1oqk s ARG 50 Cb 0.00 -2.65 0.04 0.00 0.52 0.00 0.00 34.95 32.86 1oqk s ARG 50 CO 0.00 0.43 0.45 -1.21 0.02 0.00 0.00 175.30 174.99 1oqk s GLU 51 N -3.67 0.51 -0.26 3.54 2.02 -1.26 -0.54 118.70 119.05 1oqk s GLU 51 Ca 0.33 0.64 -0.09 0.00 0.02 0.00 0.00 54.97 55.87 1oqk s GLU 51 Cb -0.09 0.23 0.11 0.00 0.10 0.00 0.00 34.13 34.49 1oqk s GLU 51 CO 0.25 -0.07 0.55 -1.50 0.02 0.00 0.00 175.26 174.52 1oqk s ILE 52 N 0.32 -0.85 0.52 -1.63 2.07 0.28 -4.96 121.20 116.96 1oqk s ILE 52 Ca -0.01 0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.14 1oqk s ILE 52 Cb -0.03 -0.86 -0.07 0.00 0.13 0.00 0.00 42.46 41.62 1oqk s ILE 52 CO -0.00 0.03 1.00 0.28 -1.91 0.00 0.00 174.94 174.33 1oqk s THR 53 N 2.78 4.42 -0.18 4.00 -1.32 -1.26 0.51 115.64 124.60 1oqk s THR 53 Ca -0.04 1.17 -0.07 0.00 -1.21 0.00 0.00 61.69 61.55 1oqk s THR 53 Cb -0.12 -3.67 0.08 0.00 -1.51 0.00 0.00 72.50 67.28 1oqk s THR 53 CO -0.16 -0.65 0.38 -0.69 -2.21 0.00 0.00 174.62 171.28 1oqk s VAL 54 N -2.59 -0.48 -0.09 5.08 1.01 0.77 -4.87 120.40 119.24 1oqk s VAL 54 Ca 0.60 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1oqk s VAL 54 Cb -0.11 -0.60 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 1oqk s VAL 54 CO 0.32 0.08 2.09 -2.65 0.00 0.00 0.00 175.10 174.93 1oqk n PRO 55 N 5.17 2.39 0.00 2.72 -0.02 -1.26 -0.32 135.00 143.67 1oqk n PRO 55 Ca -0.11 0.79 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 1oqk n PRO 55 Cb 0.50 -3.08 0.06 0.00 -0.02 0.00 0.00 33.50 30.97 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 8.04 1.91 0.13 -0.52 2.85 -1.21 -4.50 118.16 124.86 1oqk n LYS 56 Ca 0.25 -1.59 0.17 0.00 -1.05 0.00 0.00 58.31 56.09 1oqk n LYS 56 Cb 0.41 -1.44 0.58 0.00 -0.65 0.00 0.00 35.03 33.93 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 4.56 0.00 -5.47 2.58 0.00 -1.62 -2.50 103.07 100.63 1oqk h GLY 57 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1oqk h GLY 57 CO 0.00 0.00 -0.79 1.39 0.00 0.00 0.00 176.54 177.14 1oqk n ILE 58 N -3.18 -0.08 -3.49 2.60 -0.00 -0.28 -4.25 119.36 110.67 1oqk n ILE 58 Ca 0.07 -2.94 -0.14 0.00 -0.00 0.00 0.00 62.75 59.75 1oqk n ILE 58 Cb 0.81 0.67 -0.11 0.00 -0.00 0.00 0.00 39.64 41.01 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 -0.98 -0.66 0.18 -1.39 0.00 -0.94 -3.04 121.76 114.93 1oqk s ALA 59 Ca 0.30 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1oqk s ALA 59 Cb 0.32 -1.38 -0.08 0.00 0.00 0.00 0.00 23.12 21.98 1oqk s ALA 59 CO -0.07 -1.08 1.11 0.54 0.00 0.00 0.00 175.76 176.27 1oqk s VAL 60 N 2.44 3.85 0.14 0.00 0.11 -0.89 -0.23 120.40 125.82 1oqk s VAL 60 Ca 0.07 1.59 -0.17 0.00 -2.93 0.00 0.00 61.98 60.54 1oqk s VAL 60 Cb -0.15 -4.01 0.03 0.00 -1.53 0.00 0.00 36.38 30.72 1oqk s VAL 60 CO -0.13 0.27 0.44 0.72 -3.33 0.00 0.00 175.10 173.07 1oqk s PHE 61 N -0.22 -0.19 -0.11 1.54 -0.12 -0.65 -0.37 117.98 117.86 1oqk s PHE 61 Ca 0.50 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 57.27 1oqk s PHE 61 Cb -0.30 0.30 0.01 0.00 -0.63 0.00 0.00 43.02 42.41 1oqk s PHE 61 CO 0.35 -0.76 -0.17 -1.58 -0.05 0.00 0.00 175.22 173.01 1oqk s HIS 62 N -3.82 2.06 0.11 3.49 2.46 0.11 -1.76 115.29 117.95 1oqk s HIS 62 Ca 0.05 -0.95 -0.08 0.00 0.47 0.00 0.00 55.06 54.55 1oqk s HIS 62 Cb 0.01 -1.46 -0.06 0.00 -0.13 0.00 0.00 32.58 30.94 1oqk s HIS 62 CO -0.10 -0.47 0.40 -0.06 -2.47 0.00 0.00 174.74 172.05 1oqk s PHE 63 N 0.87 3.53 -0.05 3.88 0.40 0.15 -1.77 117.98 124.99 1oqk s PHE 63 Ca -0.09 0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 56.95 1oqk s PHE 63 Cb -0.15 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.29 1oqk s PHE 63 CO -0.00 0.47 -0.01 1.03 0.70 0.00 0.00 175.22 177.41 1oqk s ARG 64 N -2.24 0.57 -0.21 0.44 1.81 -0.78 -1.04 118.95 117.49 1oqk s ARG 64 Ca 0.37 0.05 -0.11 0.00 -1.72 0.00 0.00 55.73 54.32 1oqk s ARG 64 Cb -0.13 -0.80 -0.05 0.00 -0.45 0.00 0.00 34.95 33.52 1oqk s ARG 64 CO 0.20 -0.20 0.16 0.99 -0.68 0.00 0.00 175.30 175.77 1oqk s THR 65 N 1.45 5.38 0.61 0.02 2.01 0.68 -1.49 115.64 124.29 1oqk s THR 65 Ca -0.03 0.22 0.29 0.00 0.31 0.00 0.00 61.69 62.47 1oqk s THR 65 Cb -0.13 -3.50 0.36 0.00 0.01 0.00 0.00 72.50 69.24 1oqk s THR 65 CO -0.03 0.39 1.92 1.55 -0.69 0.00 0.00 174.62 177.77 1oqk h PRO 66 N 7.03 0.00 0.00 4.92 0.13 -1.86 0.26 132.00 142.49 1oqk h PRO 66 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1oqk h PRO 66 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1oqk h PRO 66 CO 0.72 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.53 1oqk n GLN 67 N -3.52 0.09 0.00 0.86 6.02 -1.26 -4.81 117.38 114.77 1oqk n GLN 67 Ca 0.05 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1oqk n GLN 67 Cb 0.55 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1oqk n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1oqk n GLY 68 N -0.54 1.38 3.28 1.08 0.00 0.87 -5.13 105.19 106.14 1oqk n GLY 68 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.32 1.12 0.05 1.61 2.02 -0.95 -4.99 118.70 117.23 1oqk s GLU 69 Ca 0.00 -1.22 0.08 0.00 0.02 0.00 0.00 54.97 53.86 1oqk s GLU 69 Cb 0.00 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.94 1oqk s GLU 69 CO 0.00 0.28 -0.23 -0.48 0.02 0.00 0.00 175.26 174.85 1oqk s LEU 70 N -2.16 2.18 -0.24 1.80 -0.00 -1.26 -0.23 118.68 118.76 1oqk s LEU 70 Ca 0.08 -0.56 -0.03 0.00 -0.00 0.00 0.00 54.13 53.62 1oqk s LEU 70 Cb -0.08 -1.10 0.10 0.00 -0.00 0.00 0.00 46.19 45.11 1oqk s LEU 70 CO 0.05 0.20 0.21 -0.69 -0.00 0.00 0.00 176.35 176.11 1oqk s VAL 71 N -0.82 -0.26 0.16 1.48 1.01 -0.21 -4.99 120.40 116.77 1oqk s VAL 71 Ca 0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 1oqk s VAL 71 Cb -0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 1oqk s VAL 71 CO 0.02 -0.41 0.58 -1.61 0.00 0.00 0.00 175.10 173.69 1oqk s GLU 72 N 2.26 4.04 -0.13 2.72 2.02 -1.26 0.29 118.70 128.64 1oqk s GLU 72 Ca 0.07 0.57 -0.09 0.00 0.02 0.00 0.00 54.97 55.54 1oqk s GLU 72 Cb -0.15 -2.93 0.04 0.00 0.10 0.00 0.00 34.13 31.19 1oqk s GLU 72 CO -0.23 0.47 0.33 0.42 0.02 0.00 0.00 175.26 176.27 1oqk s ILE 73 N -1.47 -0.02 -0.60 -1.63 1.01 -0.72 -4.95 121.20 112.82 1oqk s ILE 73 Ca 0.39 0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.91 1oqk s ILE 73 Cb -0.15 -0.49 0.10 0.00 0.01 0.00 0.00 42.46 41.93 1oqk s ILE 73 CO 0.19 0.03 0.74 -1.81 0.00 0.00 0.00 174.94 174.09 1oqk s ASP 74 N 0.84 6.19 0.21 3.58 1.11 -1.26 -1.64 116.67 125.70 1oqk s ASP 74 Ca -0.05 -1.39 0.12 0.00 0.18 0.00 0.00 52.55 51.41 1oqk s ASP 74 Cb -0.06 -2.32 0.66 0.00 1.07 0.00 0.00 42.92 42.28 1oqk s ASP 74 CO -0.06 -1.15 1.32 0.61 1.18 0.00 0.00 175.17 177.07 1oqk n GLY 75 N 5.29 -0.65 0.11 0.21 0.00 0.68 -0.06 105.19 110.76 1oqk n GLY 75 Ca -0.09 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1oqk n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1oqk n ARG 76 N -1.93 0.68 -0.00 1.61 0.00 -1.26 -1.13 116.66 114.64 1oqk n ARG 76 Ca -0.01 0.24 0.13 0.00 -0.00 0.00 0.00 57.85 58.21 1oqk n ARG 76 Cb 0.12 -1.71 0.37 0.00 0.00 0.00 0.00 32.46 31.24 1oqk n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1oqk n ALA 77 N -2.79 2.53 -1.60 5.13 0.00 0.16 -4.11 120.51 119.84 1oqk n ALA 77 Ca -0.26 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.38 1oqk n ALA 77 Cb 1.06 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 0.60 6.14 -4.25 0.00 7.99 0.91 -4.99 117.00 123.41 1oqk n LEU 78 Ca 0.17 -4.35 -0.34 0.00 -0.01 0.00 0.00 56.01 51.48 1oqk n LEU 78 Cb 0.44 -0.69 0.10 0.00 -0.11 0.00 0.00 43.42 43.16 1oqk n LEU 78 CO 0.16 1.65 -0.67 0.55 -1.51 0.00 0.00 177.39 177.58 1oqk n VAL 79 N -0.89 0.00 -0.86 4.08 3.14 -1.26 -4.41 118.33 118.14 1oqk n VAL 79 Ca 0.52 -0.28 -0.34 0.00 -2.96 0.00 0.00 64.34 61.28 1oqk n VAL 79 Cb 0.89 -0.40 0.10 0.00 -1.06 0.00 0.00 33.84 33.36 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 -3.42 -4.05 -1.62 1.55 0.00 -1.11 -4.64 120.51 107.22 1oqk n ALA 80 Ca 0.03 -0.82 -0.44 0.00 0.00 0.00 0.00 53.44 52.20 1oqk n ALA 80 Cb 0.57 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1oqk n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1oqk n ARG 81 N -0.10 2.27 0.08 0.00 5.12 -1.26 -4.85 116.66 117.91 1oqk n ARG 81 Ca 0.02 0.75 0.13 0.00 -1.93 0.00 0.00 57.85 56.82 1oqk n ARG 81 Cb 0.58 -3.00 0.36 0.00 -1.16 0.00 0.00 32.46 29.24 1oqk n ARG 81 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1oqk n PRO 82 N 7.93 0.24 -0.03 5.56 -0.04 -1.26 -3.42 135.00 143.98 1oqk n PRO 82 Ca 0.26 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1oqk n PRO 82 Cb 0.39 -1.74 -0.08 0.00 -0.04 0.00 0.00 33.50 32.04 1oqk n PRO 82 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1oqk n GLU 83 N -2.13 1.39 -0.26 0.54 1.02 -1.26 -4.51 120.64 115.44 1oqk n GLU 83 Ca 0.05 -0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1oqk n GLU 83 Cb 0.42 -1.25 0.21 0.00 -0.02 0.00 0.00 31.44 30.80 1oqk n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1oqk n GLU 84 N -2.12 2.17 -1.05 3.49 1.02 -1.25 -5.05 120.64 117.85 1oqk n GLU 84 Ca -0.09 -1.74 0.12 0.00 -0.02 0.00 0.00 57.16 55.43 1oqk n GLU 84 Cb 0.55 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.88 -2.46 0.00 3.49 0.63 -1.22 -5.01 116.66 112.97 1oqk n ARG 85 Ca 0.16 2.01 0.12 0.00 -0.92 0.00 0.00 57.85 59.23 1oqk n ARG 85 Cb 0.42 -2.85 0.12 0.00 0.45 0.00 0.00 32.46 30.60 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23