#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 2.49 0.00 -0.14 -3.43 -1.26 -4.78 115.29 108.17 1oqk s HIS 10 Ca 0.00 -1.51 0.00 0.00 -0.80 0.00 0.00 55.06 52.75 1oqk s HIS 10 Cb 0.00 -1.73 0.00 0.00 -1.43 0.00 0.00 32.58 29.42 1oqk s HIS 10 CO 0.00 -0.74 0.00 -1.91 -2.00 0.00 0.00 174.74 170.09 1oqk n GLU 11 N 4.68 0.00 -0.02 -0.38 4.07 -1.26 -4.99 120.64 122.75 1oqk n GLU 11 Ca -0.18 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.90 1oqk n GLU 11 Cb 0.49 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.85 1oqk n GLU 11 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1oqk n LEU 12 N -1.86 1.36 -4.66 4.31 4.32 -1.26 -4.87 117.00 114.35 1oqk n LEU 12 Ca 0.00 -0.01 -0.43 0.00 -0.02 0.00 0.00 56.01 55.55 1oqk n LEU 12 Cb 0.00 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 41.76 1oqk n LEU 12 CO 0.00 0.29 0.92 -0.63 -1.22 0.00 0.00 177.39 176.76 1oqk s ILE 13 N -2.07 4.66 0.00 -0.08 -1.09 -1.26 -3.38 121.20 117.98 1oqk s ILE 13 Ca -0.03 2.00 0.00 0.00 -2.23 0.00 0.00 60.65 60.39 1oqk s ILE 13 Cb 0.01 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1oqk s ILE 13 CO 0.10 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 1oqk n GLY 14 N 3.32 1.71 3.95 6.18 0.00 -1.26 -4.88 105.19 114.21 1oqk n GLY 14 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 3.38 0.42 0.99 0.05 -1.22 -4.85 118.68 117.45 1oqk s LEU 15 Ca 0.00 0.36 -0.05 0.00 0.05 0.00 0.00 54.13 54.49 1oqk s LEU 15 Cb 0.00 -3.20 -0.04 0.00 -2.05 0.00 0.00 46.19 40.90 1oqk s LEU 15 CO 0.00 -0.97 0.71 -0.44 -0.55 0.00 0.00 176.35 175.10 1oqk s SER 16 N -4.31 6.33 -0.08 1.48 0.01 -0.59 -3.15 113.70 113.40 1oqk s SER 16 Ca 0.53 0.84 -0.00 0.00 1.31 0.00 0.00 55.95 58.63 1oqk s SER 16 Cb -0.10 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1oqk s SER 16 CO 0.41 -0.45 -0.05 0.54 0.41 0.00 0.00 173.24 174.10 1oqk s VAL 17 N -2.52 0.70 -0.22 3.43 0.11 0.11 -0.15 120.40 121.87 1oqk s VAL 17 Ca 0.46 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 59.31 1oqk s VAL 17 Cb -0.10 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1oqk s VAL 17 CO 0.39 0.30 0.06 -0.60 -3.33 0.00 0.00 175.10 171.92 1oqk s ARG 18 N 1.47 3.75 -0.25 1.54 3.52 -0.17 -0.81 118.95 128.01 1oqk s ARG 18 Ca -0.01 -0.44 -0.15 0.00 -0.13 0.00 0.00 55.73 54.99 1oqk s ARG 18 Cb -0.13 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1oqk s ARG 18 CO -0.04 -0.02 0.39 0.42 -0.81 0.00 0.00 175.30 175.24 1oqk s ILE 19 N 1.15 5.18 -0.21 4.11 1.09 -1.23 -0.79 121.20 130.49 1oqk s ILE 19 Ca 0.04 0.62 0.22 0.00 -1.10 0.00 0.00 60.65 60.43 1oqk s ILE 19 Cb -0.14 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 1oqk s ILE 19 CO 0.03 0.18 0.99 0.00 -0.10 0.00 0.00 174.94 176.04 1oqk n ALA 20 N 5.09 2.48 -3.52 9.38 0.00 0.13 -3.39 120.51 130.68 1oqk n ALA 20 Ca -0.08 -0.28 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 1oqk n ALA 20 Cb 0.51 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.33 1.03 0.12 0.00 6.06 -0.95 -4.34 118.95 117.54 1oqk s ARG 21 Ca -0.01 0.23 -0.01 0.00 -2.50 0.00 0.00 55.73 53.44 1oqk s ARG 21 Cb 0.10 0.49 -0.04 0.00 0.06 0.00 0.00 34.95 35.55 1oqk s ARG 21 CO 0.80 -0.33 0.03 -1.12 -2.50 0.00 0.00 175.30 172.19 1oqk s SER 22 N -1.23 0.41 0.18 -2.12 0.01 -1.25 -1.25 113.70 108.44 1oqk s SER 22 Ca -0.10 -1.16 -0.13 0.00 1.31 0.00 0.00 55.95 55.86 1oqk s SER 22 Cb -0.00 0.26 0.12 0.00 0.21 0.00 0.00 66.02 66.61 1oqk s SER 22 CO 0.09 -0.69 1.80 1.62 0.41 0.00 0.00 173.24 176.46 1oqk h VAL 23 N 2.91 1.00 -3.37 3.43 3.04 -0.63 -3.42 116.25 119.22 1oqk h VAL 23 Ca -0.35 -0.19 -0.67 0.00 -1.01 0.00 0.00 66.70 64.49 1oqk h VAL 23 Cb 1.19 0.41 -0.17 0.00 -2.01 0.00 0.00 31.29 30.71 1oqk h VAL 23 CO 0.61 0.10 -0.64 -1.00 -1.01 0.00 0.00 177.57 175.63 1oqk s HIS 24 N -6.14 3.10 0.63 3.17 3.76 -1.26 -4.99 115.29 113.57 1oqk s HIS 24 Ca -0.13 0.05 0.41 0.00 -0.15 0.00 0.00 55.06 55.24 1oqk s HIS 24 Cb 0.13 -1.84 2.28 0.00 1.11 0.00 0.00 32.58 34.26 1oqk s HIS 24 CO 0.74 0.31 2.34 0.00 -0.85 0.00 0.00 174.74 177.28 1oqk h ARG 25 N 5.63 0.00 0.00 1.40 3.08 -1.95 0.13 114.38 122.67 1oqk h ARG 25 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1oqk h ARG 25 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1oqk h ARG 25 CO 0.57 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.22 1oqk n ASP 26 N -3.25 0.00 0.00 7.04 9.92 -1.26 -3.40 116.55 125.61 1oqk n ASP 26 Ca -0.03 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 1oqk n ASP 26 Cb 0.08 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 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 -1.25 0.18 -3.18 0.53 -5.35 -0.04 -5.05 119.36 105.20 1oqk n ILE 27 Ca 0.14 -0.21 -0.34 0.00 -0.27 0.00 0.00 62.75 62.07 1oqk n ILE 27 Cb 0.20 1.11 -0.06 0.00 -1.74 0.00 0.00 39.64 39.14 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 -0.18 4.07 0.00 6.28 -2.07 -0.78 -3.83 119.66 123.15 1oqk s GLN 28 Ca 0.00 0.68 0.00 0.00 -1.82 0.00 0.00 55.36 54.22 1oqk s GLN 28 Cb 0.00 -2.70 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 1oqk s GLN 28 CO 0.00 0.31 0.00 0.41 -1.32 0.00 0.00 175.29 174.69 1oqk n GLY 29 N 0.25 0.60 3.65 2.60 0.00 -1.22 -4.90 105.19 106.17 1oqk n GLY 29 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.68 4.93 0.37 -0.61 -1.09 -1.25 -4.81 121.20 116.05 1oqk s ILE 30 Ca 0.00 1.37 -0.01 0.00 -2.23 0.00 0.00 60.65 59.78 1oqk s ILE 30 Cb 0.00 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1oqk s ILE 30 CO 0.00 0.01 0.60 -0.44 -1.23 0.00 0.00 174.94 173.88 1oqk s SER 31 N 1.31 6.30 0.00 3.58 0.01 -1.26 -3.57 113.70 120.07 1oqk s SER 31 Ca 0.32 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1oqk s SER 31 Cb -0.16 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1oqk s SER 31 CO 0.09 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1oqk n GLY 32 N -1.80 1.18 3.89 3.44 0.00 0.01 -4.96 105.19 106.95 1oqk n GLY 32 Ca -0.03 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.22 2.48 0.02 1.61 3.00 -1.26 0.09 118.95 123.68 1oqk s ARG 33 Ca 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 55.73 54.12 1oqk s ARG 33 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 34.95 32.56 1oqk s ARG 33 CO 0.00 -0.29 0.12 0.08 0.00 0.00 0.00 175.30 175.21 1oqk s VAL 34 N -2.53 4.94 0.00 3.52 1.01 0.49 -2.48 120.40 125.35 1oqk s VAL 34 Ca 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1oqk s VAL 34 Cb -0.03 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1oqk s VAL 34 CO 0.28 0.28 0.00 0.55 0.00 0.00 0.00 175.10 176.20 1oqk n VAL 35 N 0.89 0.00 -3.76 2.92 3.14 -0.87 -1.59 118.33 119.06 1oqk n VAL 35 Ca -0.11 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.19 1oqk n VAL 35 Cb 0.52 -0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 32.77 1oqk n VAL 35 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1oqk s ASP 36 N -4.77 -0.32 -0.04 6.55 1.01 -0.97 -4.89 116.67 113.24 1oqk s ASP 36 Ca 0.00 -0.48 0.03 0.00 0.71 0.00 0.00 52.55 52.81 1oqk s ASP 36 Cb 0.00 0.68 0.00 0.00 1.01 0.00 0.00 42.92 44.62 1oqk s ASP 36 CO 0.00 -1.24 -0.13 -1.61 0.21 0.00 0.00 175.17 172.41 1oqk s GLU 37 N -3.88 1.45 0.15 8.23 2.02 -1.26 -0.31 118.70 125.10 1oqk s GLU 37 Ca 0.09 -0.44 0.10 0.00 0.02 0.00 0.00 54.97 54.73 1oqk s GLU 37 Cb -0.04 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 1oqk s GLU 37 CO 0.02 0.14 -0.22 0.99 0.02 0.00 0.00 175.26 176.21 1oqk s THR 38 N 0.27 2.00 0.31 3.63 2.01 0.26 -4.94 115.64 119.17 1oqk s THR 38 Ca -0.06 -1.83 0.07 0.00 0.31 0.00 0.00 61.69 60.18 1oqk s THR 38 Cb -0.12 -1.86 0.31 0.00 0.01 0.00 0.00 72.50 70.84 1oqk s THR 38 CO 0.02 -0.14 1.68 0.08 -0.69 0.00 0.00 174.62 175.58 1oqk h ARG 39 N 3.55 0.36 0.00 4.92 0.11 -1.94 -2.44 114.38 118.94 1oqk h ARG 39 Ca -0.46 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.59 1oqk h ARG 39 Cb 1.19 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 32.16 1oqk h ARG 39 CO 0.45 0.24 -0.29 0.27 0.10 0.00 0.00 179.97 180.74 1oqk n ASN 40 N -5.06 1.46 -3.54 0.08 2.04 -1.26 -2.77 115.26 106.20 1oqk n ASN 40 Ca 0.25 -2.78 -0.13 0.00 -0.44 0.00 0.00 54.58 51.48 1oqk n ASN 40 Cb 0.76 -0.36 -0.04 0.00 -2.53 0.00 0.00 39.78 37.60 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 -1.83 0.03 -0.13 5.53 -4.23 -0.92 -4.28 115.64 109.81 1oqk s THR 41 Ca 0.23 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1oqk s THR 41 Cb 0.21 -1.01 0.02 0.00 1.34 0.00 0.00 72.50 73.05 1oqk s THR 41 CO -0.01 -0.13 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.56 1oqk s LEU 42 N -2.26 1.83 -0.10 4.79 1.98 0.11 0.92 118.68 125.94 1oqk s LEU 42 Ca -0.03 -0.49 -0.09 0.00 -2.89 0.00 0.00 54.13 50.63 1oqk s LEU 42 Cb -0.00 -1.21 -0.04 0.00 0.66 0.00 0.00 46.19 45.59 1oqk s LEU 42 CO -0.06 0.02 0.21 -0.60 -1.89 0.00 0.00 176.35 174.03 1oqk s ARG 43 N 1.06 3.65 -0.11 1.98 3.52 0.58 0.10 118.95 129.73 1oqk s ARG 43 Ca -0.04 -0.00 0.03 0.00 -0.13 0.00 0.00 55.73 55.59 1oqk s ARG 43 Cb -0.15 -3.23 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1oqk s ARG 43 CO -0.04 0.69 -0.22 0.42 -0.81 0.00 0.00 175.30 175.34 1oqk s ILE 44 N -0.84 2.18 -0.04 4.11 1.01 0.31 -2.06 121.20 125.87 1oqk s ILE 44 Ca 0.17 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1oqk s ILE 44 Cb -0.13 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1oqk s ILE 44 CO 0.06 0.55 -0.10 -0.70 0.00 0.00 0.00 174.94 174.75 1oqk s GLU 45 N 0.42 1.18 -0.20 2.79 2.12 -0.62 -0.01 118.70 124.38 1oqk s GLU 45 Ca -0.16 -0.33 -0.08 0.00 0.36 0.00 0.00 54.97 54.75 1oqk s GLU 45 Cb -0.17 -1.06 -0.04 0.00 0.26 0.00 0.00 34.13 33.11 1oqk s GLU 45 CO 0.07 0.09 0.09 -1.64 -0.54 0.00 0.00 175.26 173.32 1oqk s MET 46 N 0.36 3.99 0.56 4.30 -1.94 0.76 -0.38 119.30 126.95 1oqk s MET 46 Ca -0.07 -0.33 0.42 0.00 -1.71 0.00 0.00 55.69 54.00 1oqk s MET 46 Cb -0.11 -3.31 1.56 0.00 2.01 0.00 0.00 34.83 34.97 1oqk s MET 46 CO 0.01 0.19 1.64 0.38 -0.01 0.00 0.00 175.02 177.23 1oqk h ASP 47 N 7.01 0.00 0.18 3.03 3.04 -1.88 1.21 116.42 129.01 1oqk h ASP 47 Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 1oqk h ASP 47 Cb 1.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1oqk h ASP 47 CO 0.69 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 178.36 1oqk n ASP 48 N -3.92 0.39 0.00 4.15 9.92 -1.26 -4.78 116.55 121.05 1oqk n ASP 48 Ca 0.33 0.66 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 1oqk n ASP 48 Cb 1.61 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 41.38 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 -0.99 1.28 3.76 0.44 0.00 0.41 -5.10 105.19 104.99 1oqk n GLY 49 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.23 3.06 -0.02 1.61 1.81 -0.90 -4.95 118.95 119.34 1oqk s ARG 50 Ca 0.00 -0.44 0.05 0.00 -1.72 0.00 0.00 55.73 53.62 1oqk s ARG 50 Cb 0.00 -2.86 -0.01 0.00 -0.45 0.00 0.00 34.95 31.62 1oqk s ARG 50 CO 0.00 0.67 -0.17 -1.83 -0.68 0.00 0.00 175.30 173.29 1oqk s GLU 51 N -1.47 1.42 0.04 3.54 -1.05 -1.26 -0.17 118.70 119.75 1oqk s GLU 51 Ca 0.20 -0.60 -0.24 0.00 -0.15 0.00 0.00 54.97 54.17 1oqk s GLU 51 Cb -0.12 -1.35 0.06 0.00 -0.44 0.00 0.00 34.13 32.28 1oqk s GLU 51 CO 0.10 0.35 0.56 -1.50 0.95 0.00 0.00 175.26 175.72 1oqk s ILE 52 N -0.34 0.02 0.18 1.83 2.07 0.98 -5.01 121.20 120.93 1oqk s ILE 52 Ca 0.05 -0.16 0.09 0.00 -1.41 0.00 0.00 60.65 59.23 1oqk s ILE 52 Cb -0.07 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 1oqk s ILE 52 CO -0.00 -0.09 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.92 1oqk s THR 53 N -2.33 2.97 -0.16 4.00 2.01 -1.26 0.11 115.64 120.98 1oqk s THR 53 Ca -0.06 -1.75 -0.16 0.00 0.31 0.00 0.00 61.69 60.04 1oqk s THR 53 Cb -0.01 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 70.09 1oqk s THR 53 CO -0.01 -0.11 0.44 -0.69 -0.69 0.00 0.00 174.62 173.57 1oqk s VAL 54 N -1.68 0.00 -0.23 3.82 1.01 0.11 -4.91 120.40 118.52 1oqk s VAL 54 Ca 0.24 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1oqk s VAL 54 Cb -0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 1oqk s VAL 54 CO 0.14 -0.01 1.25 -2.84 0.00 0.00 0.00 175.10 173.64 1oqk s PRO 55 N 0.14 4.09 0.00 2.72 0.02 -1.26 0.05 135.00 140.76 1oqk s PRO 55 Ca -0.01 1.44 0.23 0.00 0.02 0.00 0.00 61.00 62.68 1oqk s PRO 55 Cb -0.03 -3.80 0.10 0.00 0.02 0.00 0.00 34.50 30.79 1oqk s PRO 55 CO 0.01 -0.88 1.16 0.36 -0.33 0.00 0.00 177.00 177.32 1oqk n LYS 56 N 6.89 1.82 -0.04 5.54 2.85 -1.26 -4.47 118.16 129.49 1oqk n LYS 56 Ca 0.14 -1.50 0.24 0.00 -1.05 0.00 0.00 58.31 56.14 1oqk n LYS 56 Cb 0.46 -1.45 0.66 0.00 -0.65 0.00 0.00 35.03 34.06 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 4.58 0.00 -5.50 2.58 0.00 -1.75 -2.64 103.07 100.35 1oqk h GLY 57 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1oqk h GLY 57 CO 0.00 0.00 -0.82 1.39 0.00 0.00 0.00 176.54 177.11 1oqk n ILE 58 N -3.62 -0.09 -3.54 2.60 -0.00 -0.39 -4.29 119.36 110.03 1oqk n ILE 58 Ca 0.14 -3.04 -0.20 0.00 -0.00 0.00 0.00 62.75 59.65 1oqk n ILE 58 Cb 0.94 0.60 -0.14 0.00 -0.00 0.00 0.00 39.64 41.04 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 -1.06 -0.07 0.00 -1.39 0.00 -0.97 0.04 121.76 118.31 1oqk s ALA 59 Ca 0.31 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1oqk s ALA 59 Cb 0.32 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1oqk s ALA 59 CO -0.07 -1.13 1.16 0.54 0.00 0.00 0.00 175.76 176.26 1oqk s VAL 60 N 2.27 4.27 -0.01 0.00 0.11 -0.38 -0.29 120.40 126.36 1oqk s VAL 60 Ca 0.05 1.61 -0.22 0.00 -2.93 0.00 0.00 61.98 60.50 1oqk s VAL 60 Cb -0.15 -4.03 0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1oqk s VAL 60 CO -0.11 0.07 0.47 0.72 -3.33 0.00 0.00 175.10 172.93 1oqk s PHE 61 N 1.53 -0.38 -0.04 1.54 -0.12 0.21 0.17 117.98 120.89 1oqk s PHE 61 Ca 0.56 0.58 0.06 0.00 -0.05 0.00 0.00 56.93 58.09 1oqk s PHE 61 Cb -0.26 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1oqk s PHE 61 CO 0.26 -0.51 -0.22 -1.01 -0.05 0.00 0.00 175.22 173.69 1oqk s HIS 62 N -1.51 2.47 -0.23 3.49 3.76 0.03 -0.11 115.29 123.19 1oqk s HIS 62 Ca -0.11 -0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 54.23 1oqk s HIS 62 Cb -0.02 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 1oqk s HIS 62 CO 0.05 -0.00 0.47 -0.06 -0.85 0.00 0.00 174.74 174.35 1oqk s PHE 63 N -0.56 3.32 -0.33 1.40 0.40 0.32 -0.99 117.98 121.55 1oqk s PHE 63 Ca 0.08 0.65 -0.09 0.00 -0.60 0.00 0.00 56.93 56.97 1oqk s PHE 63 Cb -0.11 -2.64 0.01 0.00 0.51 0.00 0.00 43.02 40.79 1oqk s PHE 63 CO 0.00 -0.15 0.14 0.50 0.70 0.00 0.00 175.22 176.41 1oqk s ARG 64 N 1.83 3.02 -0.09 0.44 6.06 0.79 -0.30 118.95 130.71 1oqk s ARG 64 Ca 0.21 -0.93 -0.20 0.00 -2.50 0.00 0.00 55.73 52.31 1oqk s ARG 64 Cb -0.15 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.28 1oqk s ARG 64 CO 0.09 -0.54 0.57 0.99 -2.50 0.00 0.00 175.30 173.91 1oqk s THR 65 N 1.53 5.11 0.51 4.11 2.01 -0.34 -1.54 115.64 127.03 1oqk s THR 65 Ca 0.02 1.16 0.30 0.00 0.31 0.00 0.00 61.69 63.49 1oqk s THR 65 Cb -0.18 -3.91 0.48 0.00 0.01 0.00 0.00 72.50 68.90 1oqk s THR 65 CO 0.05 0.31 1.85 -0.65 -0.69 0.00 0.00 174.62 175.48 1oqk h PRO 66 N 6.61 0.09 0.00 4.92 0.11 -1.90 0.44 132.00 142.27 1oqk h PRO 66 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1oqk h PRO 66 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1oqk h PRO 66 CO 0.75 0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.64 1oqk n GLN 67 N -4.31 0.11 0.00 1.05 3.00 -1.26 -4.81 117.38 111.17 1oqk n GLN 67 Ca 0.22 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1oqk n GLN 67 Cb 1.01 -1.81 0.00 0.00 0.00 0.00 0.00 30.24 29.44 1oqk n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oqk n GLY 68 N -0.90 0.80 3.29 1.08 0.00 0.15 -5.13 105.19 104.48 1oqk n GLY 68 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.39 1.55 -0.26 1.61 2.02 -0.96 -4.98 118.70 118.08 1oqk s GLU 69 Ca 0.00 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.01 1oqk s GLU 69 Cb 0.00 -1.69 0.06 0.00 0.10 0.00 0.00 34.13 32.61 1oqk s GLU 69 CO 0.00 0.43 -0.09 -1.17 0.02 0.00 0.00 175.26 174.46 1oqk s LEU 70 N -1.18 3.23 0.07 1.80 2.96 -1.26 -1.20 118.68 123.09 1oqk s LEU 70 Ca 0.09 -1.36 0.06 0.00 -0.22 0.00 0.00 54.13 52.70 1oqk s LEU 70 Cb -0.09 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1oqk s LEU 70 CO 0.02 -0.21 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.05 1oqk s VAL 71 N 1.18 3.41 0.07 1.68 1.01 0.59 -4.97 120.40 123.38 1oqk s VAL 71 Ca -0.07 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 60.89 1oqk s VAL 71 Cb -0.20 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1oqk s VAL 71 CO -0.06 0.22 -0.24 -1.83 0.00 0.00 0.00 175.10 173.20 1oqk s GLU 72 N -1.90 1.46 -0.14 2.72 -1.05 -1.26 0.12 118.70 118.64 1oqk s GLU 72 Ca 0.20 -1.12 -0.06 0.00 -0.15 0.00 0.00 54.97 53.83 1oqk s GLU 72 Cb -0.11 -1.70 0.06 0.00 -0.44 0.00 0.00 34.13 31.94 1oqk s GLU 72 CO 0.11 0.42 0.32 0.42 0.95 0.00 0.00 175.26 177.48 1oqk s ILE 73 N -0.93 -0.25 -0.65 1.83 1.01 0.84 -4.91 121.20 118.15 1oqk s ILE 73 Ca 0.10 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 1oqk s ILE 73 Cb -0.10 -0.50 0.09 0.00 0.01 0.00 0.00 42.46 41.97 1oqk s ILE 73 CO 0.03 0.08 0.85 -0.62 0.00 0.00 0.00 174.94 175.28 1oqk s ASP 74 N 1.87 6.22 0.16 3.58 -1.08 -1.26 -0.62 116.67 125.54 1oqk s ASP 74 Ca -0.05 -1.30 0.14 0.00 -0.52 0.00 0.00 52.55 50.83 1oqk s ASP 74 Cb -0.11 -2.36 0.69 0.00 -1.46 0.00 0.00 42.92 39.68 1oqk s ASP 74 CO -0.10 -1.25 1.44 0.61 0.52 0.00 0.00 175.17 176.38 1oqk n GLY 75 N 5.30 -0.85 0.02 2.66 0.00 0.60 -0.03 105.19 112.88 1oqk n GLY 75 Ca -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.61 2.43 -1.74 -0.92 114.38 115.75 1oqk h ARG 76 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1oqk h ARG 76 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1oqk h ARG 76 CO 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 179.97 178.05 1oqk n ALA 77 N -2.60 2.98 -1.46 2.80 0.00 -1.23 -3.93 120.51 117.06 1oqk n ALA 77 Ca -0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 1oqk n ALA 77 Cb 0.07 -1.23 0.14 0.00 0.00 0.00 0.00 19.45 18.42 1oqk n ALA 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1oqk n LEU 78 N -1.81 5.78 -4.77 0.00 7.94 0.95 -5.02 117.00 120.08 1oqk n LEU 78 Ca 0.05 -4.03 -0.41 0.00 -1.11 0.00 0.00 56.01 50.51 1oqk n LEU 78 Cb 0.38 -0.73 -0.01 0.00 0.53 0.00 0.00 43.42 43.60 1oqk n LEU 78 CO 0.34 1.40 1.14 0.54 -1.11 0.00 0.00 177.39 179.70 1oqk s VAL 79 N -3.87 2.19 0.09 1.96 0.11 -1.25 -4.80 120.40 114.82 1oqk s VAL 79 Ca 0.54 0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 59.54 1oqk s VAL 79 Cb 0.45 -3.11 -0.07 0.00 -1.53 0.00 0.00 36.38 32.12 1oqk s VAL 79 CO 0.03 0.04 0.69 0.00 -3.33 0.00 0.00 175.10 172.52 1oqk s ALA 80 N -0.76 3.48 0.17 1.54 0.00 -1.12 -5.08 121.76 120.00 1oqk s ALA 80 Ca 0.55 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.82 1oqk s ALA 80 Cb -0.46 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1oqk s ALA 80 CO 0.57 0.27 -0.17 1.03 0.00 0.00 0.00 175.76 177.45 1oqk s ARG 81 N -0.80 1.78 1.15 0.00 0.52 -1.26 -4.22 118.95 116.11 1oqk s ARG 81 Ca 0.34 -1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 54.02 1oqk s ARG 81 Cb -0.21 -2.02 0.20 0.00 0.52 0.00 0.00 34.95 33.44 1oqk s ARG 81 CO 0.22 0.43 0.50 -2.30 0.02 0.00 0.00 175.30 174.16 1oqk n PRO 82 N 0.27 -2.03 0.25 3.54 -0.02 -1.26 -4.88 135.00 130.87 1oqk n PRO 82 Ca -0.12 -0.57 0.15 0.00 -2.02 0.00 0.00 63.50 60.94 1oqk n PRO 82 Cb 0.55 -1.93 0.48 0.00 -0.02 0.00 0.00 33.50 32.58 1oqk n PRO 82 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1oqk h GLU 83 N -2.38 0.00 -0.25 -0.52 5.08 -2.02 -3.21 114.58 111.29 1oqk h GLU 83 Ca -0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 1oqk h GLU 83 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1oqk h GLU 83 CO 0.44 0.01 0.08 0.93 -1.00 0.00 0.00 179.01 179.47 1oqk h GLU 84 N 0.00 0.39 -3.73 2.33 4.39 -2.07 -3.39 114.58 112.51 1oqk h GLU 84 Ca -0.00 -0.08 -0.58 0.00 0.34 0.00 0.00 59.36 59.03 1oqk h GLU 84 Cb 0.71 -0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 28.91 1oqk h GLU 84 CO 0.00 0.45 -0.76 1.03 -1.16 0.00 0.00 179.01 178.58 1oqk s ARG 85 N -5.44 0.85 0.00 2.33 1.81 -1.21 -5.27 118.95 112.03 1oqk s ARG 85 Ca -0.14 -1.07 0.07 0.00 -1.72 0.00 0.00 55.73 52.88 1oqk s ARG 85 Cb 0.08 -2.17 0.06 0.00 -0.45 0.00 0.00 34.95 32.47 1oqk s ARG 85 CO 0.72 -0.91 0.73 -0.89 -0.68 0.00 0.00 175.30 174.27