#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 0.00 -2.59 -0.14 1.44 -1.26 -4.99 115.22 107.68 1oqk n HIS 10 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 1oqk n HIS 10 Cb 0.00 -0.38 -0.00 0.00 0.12 0.00 0.00 29.99 29.73 1oqk n HIS 10 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1oqk n GLU 11 N -2.28 -2.77 0.10 -1.40 0.28 -1.26 -4.76 120.64 108.56 1oqk n GLU 11 Ca -0.12 0.14 -0.03 0.00 -0.16 0.00 0.00 57.16 56.98 1oqk n GLU 11 Cb 0.74 -4.67 0.02 0.00 1.43 0.00 0.00 31.44 28.97 1oqk n GLU 11 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1oqk h LEU 12 N -0.06 0.00 -9.97 -1.84 6.46 -2.00 -3.46 115.31 104.43 1oqk h LEU 12 Ca -0.09 0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.12 1oqk h LEU 12 Cb 1.07 0.00 0.18 0.00 -0.73 0.00 0.00 40.66 41.18 1oqk h LEU 12 CO 0.12 0.77 0.05 -0.38 -0.62 0.00 0.00 178.44 178.38 1oqk n ILE 13 N -3.47 2.23 0.00 4.05 5.41 -1.26 -2.94 119.36 123.38 1oqk n ILE 13 Ca -0.00 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1oqk n ILE 13 Cb 0.78 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 1oqk n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oqk n GLY 14 N 1.04 3.24 3.79 7.39 0.00 -1.21 -5.02 105.19 114.41 1oqk n GLY 14 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 2.54 0.34 0.99 1.43 -1.15 -4.69 118.68 118.14 1oqk s LEU 15 Ca 0.00 1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 1oqk s LEU 15 Cb 0.00 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1oqk s LEU 15 CO 0.00 -2.11 0.62 -0.94 0.23 0.00 0.00 176.35 174.15 1oqk s SER 16 N -3.79 6.41 -0.11 2.29 1.04 -0.88 -0.96 113.70 117.70 1oqk s SER 16 Ca 0.61 0.77 -0.07 0.00 0.48 0.00 0.00 55.95 57.74 1oqk s SER 16 Cb -0.15 -2.17 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1oqk s SER 16 CO 0.55 -0.29 0.26 -0.69 0.98 0.00 0.00 173.24 174.05 1oqk s VAL 17 N -2.24 -0.03 -0.14 5.02 1.01 0.33 -0.92 120.40 123.44 1oqk s VAL 17 Ca 0.45 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 1oqk s VAL 17 Cb -0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1oqk s VAL 17 CO 0.33 0.04 -0.09 -0.13 0.00 0.00 0.00 175.10 175.25 1oqk s ARG 18 N 0.92 3.50 -0.31 2.72 3.00 0.05 -0.38 118.95 128.45 1oqk s ARG 18 Ca -0.06 -0.62 -0.20 0.00 0.00 0.00 0.00 55.73 54.85 1oqk s ARG 18 Cb -0.07 -2.75 -0.01 0.00 0.00 0.00 0.00 34.95 32.12 1oqk s ARG 18 CO -0.06 0.22 0.63 0.42 0.00 0.00 0.00 175.30 176.51 1oqk s ILE 19 N 0.37 4.93 -0.08 1.52 -1.09 -1.11 -1.81 121.20 123.93 1oqk s ILE 19 Ca -0.08 0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 59.16 1oqk s ILE 19 Cb -0.15 -4.01 -0.26 0.00 -1.58 0.00 0.00 42.46 36.46 1oqk s ILE 19 CO 0.04 -0.16 0.53 0.00 -1.23 0.00 0.00 174.94 174.13 1oqk h ALA 20 N 8.22 0.49 -2.30 9.38 0.00 -1.35 -3.25 119.26 130.45 1oqk h ALA 20 Ca -0.27 -1.36 -0.07 0.00 0.00 0.00 0.00 54.91 53.21 1oqk h ALA 20 Cb 1.12 0.58 -0.22 0.00 0.00 0.00 0.00 17.79 19.26 1oqk h ALA 20 CO 0.80 1.35 -0.03 1.03 0.00 0.00 0.00 179.25 182.41 1oqk s ARG 21 N -2.58 0.68 0.12 0.00 1.81 -1.07 -4.46 118.95 113.45 1oqk s ARG 21 Ca -0.15 0.84 -0.01 0.00 -1.72 0.00 0.00 55.73 54.70 1oqk s ARG 21 Cb 0.07 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.84 1oqk s ARG 21 CO 0.80 -0.09 0.03 -1.54 -0.68 0.00 0.00 175.30 173.82 1oqk s SER 22 N 0.43 0.50 0.20 0.23 1.04 -1.26 -0.40 113.70 114.44 1oqk s SER 22 Ca -0.01 -1.16 -0.11 0.00 0.48 0.00 0.00 55.95 55.15 1oqk s SER 22 Cb -0.04 0.25 0.15 0.00 0.10 0.00 0.00 66.02 66.47 1oqk s SER 22 CO -0.01 -0.67 1.87 1.62 0.98 0.00 0.00 173.24 177.02 1oqk h VAL 23 N 2.90 1.16 -3.12 5.02 3.04 -1.61 -3.41 116.25 120.22 1oqk h VAL 23 Ca -0.35 -0.32 -0.64 0.00 -1.01 0.00 0.00 66.70 64.38 1oqk h VAL 23 Cb 1.19 0.15 -0.13 0.00 -2.01 0.00 0.00 31.29 30.49 1oqk h VAL 23 CO 0.61 0.17 -0.53 -1.00 -1.01 0.00 0.00 177.57 175.81 1oqk s HIS 24 N -6.14 3.36 0.18 3.17 3.76 -1.26 -4.99 115.29 113.39 1oqk s HIS 24 Ca -0.13 0.26 0.24 0.00 -0.15 0.00 0.00 55.06 55.29 1oqk s HIS 24 Cb 0.15 -2.02 1.00 0.00 1.11 0.00 0.00 32.58 32.82 1oqk s HIS 24 CO 0.77 0.38 1.86 0.07 -0.85 0.00 0.00 174.74 176.98 1oqk h ARG 25 N 6.02 0.00 0.00 1.40 0.11 -1.93 -0.26 114.38 119.72 1oqk h ARG 25 Ca -0.44 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.62 1oqk h ARG 25 Cb 1.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 1oqk h ARG 25 CO 0.66 0.22 -0.08 -0.44 0.10 0.00 0.00 179.97 180.43 1oqk h ASP 26 N 0.00 0.00 0.00 0.08 3.32 -1.96 -2.96 116.42 114.90 1oqk h ASP 26 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1oqk h ASP 26 Cb 0.68 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1oqk h ASP 26 CO 0.03 0.08 -1.39 2.30 -1.72 0.00 0.00 179.24 178.54 1oqk n ILE 27 N -3.44 0.03 -1.35 0.35 -5.35 -1.03 -5.00 119.36 103.57 1oqk n ILE 27 Ca -0.02 -0.20 -0.35 0.00 -0.27 0.00 0.00 62.75 61.91 1oqk n ILE 27 Cb 0.22 0.24 0.10 0.00 -1.74 0.00 0.00 39.64 38.46 1oqk n ILE 27 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1oqk n GLN 28 N -1.82 0.53 -1.26 6.28 7.27 -0.14 -2.49 117.38 125.75 1oqk n GLN 28 Ca -0.02 0.24 -0.09 0.00 0.07 0.00 0.00 57.00 57.20 1oqk n GLN 28 Cb 0.25 -2.35 -0.04 0.00 2.41 0.00 0.00 30.24 30.52 1oqk n GLN 28 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1oqk n GLY 29 N 0.90 0.93 3.60 1.69 0.00 -1.23 -4.97 105.19 106.12 1oqk n GLY 29 Ca 0.14 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.93 4.70 0.32 -0.61 1.01 -1.04 -4.90 121.20 118.76 1oqk s ILE 30 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1oqk s ILE 30 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1oqk s ILE 30 CO 0.00 0.44 0.49 -0.55 0.00 0.00 0.00 174.94 175.32 1oqk s SER 31 N 0.56 6.24 0.00 3.58 0.15 -1.26 -2.74 113.70 120.23 1oqk s SER 31 Ca 0.03 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1oqk s SER 31 Cb -0.13 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1oqk s SER 31 CO 0.01 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1oqk n GLY 32 N -1.68 1.36 3.61 9.45 0.00 0.49 -4.95 105.19 113.46 1oqk n GLY 32 Ca -0.05 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1oqk n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oqk s ARG 33 N 0.41 1.94 0.14 1.61 3.52 -1.26 -0.51 118.95 124.79 1oqk s ARG 33 Ca 0.00 -2.10 0.03 0.00 -0.13 0.00 0.00 55.73 53.53 1oqk s ARG 33 Cb 0.00 -1.54 -0.04 0.00 -1.56 0.00 0.00 34.95 31.81 1oqk s ARG 33 CO 0.00 -0.08 0.19 0.54 -0.81 0.00 0.00 175.30 175.14 1oqk s VAL 34 N -2.79 4.91 0.00 7.11 0.11 0.20 -1.48 120.40 128.47 1oqk s VAL 34 Ca 0.34 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1oqk s VAL 34 Cb 0.09 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1oqk s VAL 34 CO 0.17 -0.05 0.00 0.55 -3.33 0.00 0.00 175.10 172.44 1oqk n VAL 35 N -0.26 0.00 -3.69 2.04 3.14 -0.39 -1.92 118.33 117.24 1oqk n VAL 35 Ca -0.07 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.21 1oqk n VAL 35 Cb 0.54 -0.55 -0.02 0.00 -1.06 0.00 0.00 33.84 32.75 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 -4.87 -0.37 -0.05 6.55 2.15 -0.94 -4.78 116.67 114.37 1oqk s ASP 36 Ca 0.00 -0.38 0.04 0.00 0.43 0.00 0.00 52.55 52.64 1oqk s ASP 36 Cb 0.00 0.66 -0.00 0.00 -0.30 0.00 0.00 42.92 43.28 1oqk s ASP 36 CO 0.00 -1.17 -0.18 -1.61 -0.17 0.00 0.00 175.17 172.03 1oqk s GLU 37 N -3.85 1.98 0.11 4.34 2.02 -1.26 -0.70 118.70 121.33 1oqk s GLU 37 Ca 0.07 -0.66 0.10 0.00 0.02 0.00 0.00 54.97 54.51 1oqk s GLU 37 Cb -0.03 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 1oqk s GLU 37 CO -0.01 0.24 -0.26 0.99 0.02 0.00 0.00 175.26 176.24 1oqk s THR 38 N 0.08 2.19 0.64 3.63 2.01 0.26 -4.96 115.64 119.49 1oqk s THR 38 Ca -0.06 -1.66 0.31 0.00 0.31 0.00 0.00 61.69 60.59 1oqk s THR 38 Cb -0.13 -1.93 0.34 0.00 0.01 0.00 0.00 72.50 70.79 1oqk s THR 38 CO 0.03 0.14 1.99 0.08 -0.69 0.00 0.00 174.62 176.17 1oqk h ARG 39 N 4.10 0.00 0.00 4.92 0.11 -1.92 -2.23 114.38 119.36 1oqk h ARG 39 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1oqk h ARG 39 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1oqk h ARG 39 CO 0.40 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.74 1oqk n ASN 40 N -3.16 0.56 -3.56 0.08 2.04 -1.26 -4.66 115.26 105.29 1oqk n ASN 40 Ca 0.00 -1.28 -0.11 0.00 -0.44 0.00 0.00 54.58 52.75 1oqk n ASN 40 Cb 0.39 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.61 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 -0.28 0.02 -0.12 5.53 -4.23 -0.84 -4.41 115.64 111.30 1oqk s THR 41 Ca 0.00 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 1oqk s THR 41 Cb 0.00 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.61 1oqk s THR 41 CO 0.00 -0.08 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.62 1oqk s LEU 42 N -2.80 1.81 -0.21 4.79 1.98 0.15 0.90 118.68 125.30 1oqk s LEU 42 Ca 0.04 -0.48 -0.11 0.00 -2.89 0.00 0.00 54.13 50.69 1oqk s LEU 42 Cb -0.01 -1.19 -0.05 0.00 0.66 0.00 0.00 46.19 45.60 1oqk s LEU 42 CO -0.09 0.02 0.16 -0.60 -1.89 0.00 0.00 176.35 173.94 1oqk s ARG 43 N 1.05 4.16 -0.23 1.98 3.52 0.12 -0.14 118.95 129.41 1oqk s ARG 43 Ca -0.04 -0.20 -0.06 0.00 -0.13 0.00 0.00 55.73 55.30 1oqk s ARG 43 Cb -0.15 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1oqk s ARG 43 CO -0.04 0.22 0.02 0.42 -0.81 0.00 0.00 175.30 175.11 1oqk s ILE 44 N 0.59 3.91 0.00 4.11 1.01 0.27 -1.27 121.20 129.82 1oqk s ILE 44 Ca 0.09 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1oqk s ILE 44 Cb -0.12 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 1oqk s ILE 44 CO 0.00 0.38 -0.12 -0.70 0.00 0.00 0.00 174.94 174.50 1oqk s GLU 45 N 1.52 0.92 -0.06 2.79 2.12 -0.55 0.78 118.70 126.21 1oqk s GLU 45 Ca 0.06 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.96 1oqk s GLU 45 Cb -0.15 -0.89 -0.01 0.00 0.26 0.00 0.00 34.13 33.34 1oqk s GLU 45 CO 0.01 0.24 -0.24 0.00 -0.54 0.00 0.00 175.26 174.73 1oqk s MET 46 N -0.47 2.61 0.60 4.30 0.23 -0.47 0.60 119.30 126.69 1oqk s MET 46 Ca 0.03 -0.88 0.31 0.00 -1.03 0.00 0.00 55.69 54.12 1oqk s MET 46 Cb -0.05 -2.20 1.15 0.00 -1.53 0.00 0.00 34.83 32.19 1oqk s MET 46 CO -0.00 0.38 1.46 -0.44 -2.03 0.00 0.00 175.02 174.39 1oqk h ASP 47 N 6.07 0.00 0.00 -1.18 3.32 -1.87 0.87 116.42 123.63 1oqk h ASP 47 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1oqk h ASP 47 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1oqk h ASP 47 CO 0.48 0.00 0.05 0.44 -1.72 0.00 0.00 179.24 178.49 1oqk h ASP 48 N 0.00 0.00 0.00 6.45 3.32 -2.00 -3.44 116.42 120.76 1oqk h ASP 48 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1oqk h ASP 48 Cb 2.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.28 1oqk h ASP 48 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 1oqk n GLY 49 N -1.27 1.03 3.85 2.75 0.00 0.30 -5.10 105.19 106.74 1oqk n GLY 49 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.27 2.91 -0.06 1.61 1.81 -0.97 -4.97 118.95 119.01 1oqk s ARG 50 Ca 0.00 -1.10 -0.16 0.00 -1.72 0.00 0.00 55.73 52.74 1oqk s ARG 50 Cb 0.00 -2.57 0.03 0.00 -0.45 0.00 0.00 34.95 31.96 1oqk s ARG 50 CO 0.00 0.30 0.38 -1.21 -0.68 0.00 0.00 175.30 174.09 1oqk s GLU 51 N -3.91 0.64 0.01 3.54 2.02 -1.26 -1.37 118.70 118.38 1oqk s GLU 51 Ca 0.36 0.09 -0.27 0.00 0.02 0.00 0.00 54.97 55.17 1oqk s GLU 51 Cb -0.07 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.52 1oqk s GLU 51 CO 0.26 -0.16 0.61 -1.50 0.02 0.00 0.00 175.26 174.49 1oqk s ILE 52 N -0.82 0.01 0.05 -1.63 1.10 0.23 -4.99 121.20 115.16 1oqk s ILE 52 Ca -0.09 -0.08 0.01 0.00 -0.51 0.00 0.00 60.65 59.98 1oqk s ILE 52 Cb -0.04 -0.97 -0.04 0.00 0.15 0.00 0.00 42.46 41.56 1oqk s ILE 52 CO 0.04 -0.04 0.11 0.28 -2.11 0.00 0.00 174.94 173.22 1oqk s THR 53 N -1.94 4.82 -0.19 4.00 -1.32 -1.26 0.94 115.64 120.69 1oqk s THR 53 Ca -0.08 -0.55 -0.09 0.00 -1.21 0.00 0.00 61.69 59.76 1oqk s THR 53 Cb -0.01 -3.29 0.07 0.00 -1.51 0.00 0.00 72.50 67.76 1oqk s THR 53 CO 0.03 0.20 0.43 -0.69 -2.21 0.00 0.00 174.62 172.38 1oqk s VAL 54 N -1.36 -0.28 -0.07 5.08 1.01 0.81 -4.92 120.40 120.67 1oqk s VAL 54 Ca 0.29 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 1oqk s VAL 54 Cb -0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 1oqk s VAL 54 CO 0.21 0.05 1.81 -2.84 0.00 0.00 0.00 175.10 174.32 1oqk s PRO 55 N 1.90 3.99 0.00 2.72 0.02 -1.26 -0.68 135.00 141.69 1oqk s PRO 55 Ca -0.07 2.21 0.23 0.00 0.02 0.00 0.00 61.00 63.40 1oqk s PRO 55 Cb -0.10 -4.09 0.12 0.00 0.02 0.00 0.00 34.50 30.45 1oqk s PRO 55 CO -0.13 -1.10 1.17 0.36 -0.33 0.00 0.00 177.00 176.97 1oqk n LYS 56 N 7.53 1.89 -0.03 5.54 2.85 -1.26 -4.48 118.16 130.19 1oqk n LYS 56 Ca 0.20 -1.57 0.24 0.00 -1.05 0.00 0.00 58.31 56.13 1oqk n LYS 56 Cb 0.43 -1.45 0.65 0.00 -0.65 0.00 0.00 35.03 34.01 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 4.61 0.00 -5.40 2.58 0.00 -1.77 -2.77 103.07 100.32 1oqk h GLY 57 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1oqk h GLY 57 CO 0.00 0.00 -0.74 1.39 0.00 0.00 0.00 176.54 177.19 1oqk n ILE 58 N -3.58 -0.09 -3.59 2.60 -0.00 -0.37 -4.23 119.36 110.10 1oqk n ILE 58 Ca 0.13 -2.71 -0.24 0.00 -0.00 0.00 0.00 62.75 59.93 1oqk n ILE 58 Cb 0.95 0.72 -0.16 0.00 -0.00 0.00 0.00 39.64 41.15 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 -0.73 0.26 -0.05 -1.39 0.00 -1.00 -1.66 121.76 117.20 1oqk s ALA 59 Ca 0.30 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 1oqk s ALA 59 Cb 0.30 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1oqk s ALA 59 CO -0.08 -1.14 1.09 0.54 0.00 0.00 0.00 175.76 176.17 1oqk s VAL 60 N 2.18 4.53 -0.01 0.00 0.11 0.47 -0.15 120.40 127.53 1oqk s VAL 60 Ca 0.03 1.82 -0.21 0.00 -2.93 0.00 0.00 61.98 60.69 1oqk s VAL 60 Cb -0.16 -4.17 0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1oqk s VAL 60 CO -0.09 0.04 0.46 0.72 -3.33 0.00 0.00 175.10 172.90 1oqk s PHE 61 N 1.78 -0.36 -0.06 1.54 -0.12 0.01 -0.89 117.98 119.88 1oqk s PHE 61 Ca 0.53 0.53 0.05 0.00 -0.05 0.00 0.00 56.93 57.99 1oqk s PHE 61 Cb -0.22 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 1oqk s PHE 61 CO 0.22 -0.51 -0.20 -1.01 -0.05 0.00 0.00 175.22 173.68 1oqk s HIS 62 N -1.58 2.56 -0.08 3.49 3.76 -0.75 -0.47 115.29 122.23 1oqk s HIS 62 Ca -0.11 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.32 1oqk s HIS 62 Cb -0.02 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.01 1oqk s HIS 62 CO 0.04 -0.05 -0.03 -0.59 -0.85 0.00 0.00 174.74 173.26 1oqk s PHE 63 N -0.36 3.06 -0.04 1.40 -0.12 -0.21 -0.77 117.98 120.94 1oqk s PHE 63 Ca 0.03 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 57.01 1oqk s PHE 63 Cb -0.12 -1.76 -0.03 0.00 -0.63 0.00 0.00 43.02 40.47 1oqk s PHE 63 CO 0.02 0.39 -0.02 1.03 -0.05 0.00 0.00 175.22 176.59 1oqk s ARG 64 N -0.80 2.83 -0.16 1.99 1.81 -0.09 -1.21 118.95 123.31 1oqk s ARG 64 Ca 0.12 -0.53 -0.05 0.00 -1.72 0.00 0.00 55.73 53.55 1oqk s ARG 64 Cb -0.11 -2.69 -0.03 0.00 -0.45 0.00 0.00 34.95 31.67 1oqk s ARG 64 CO 0.02 0.66 -0.00 0.99 -0.68 0.00 0.00 175.30 176.29 1oqk s THR 65 N -0.95 4.21 0.50 0.02 2.01 -0.20 -2.08 115.64 119.15 1oqk s THR 65 Ca 0.16 -0.24 0.37 0.00 0.31 0.00 0.00 61.69 62.28 1oqk s THR 65 Cb -0.11 -2.87 0.57 0.00 0.01 0.00 0.00 72.50 70.10 1oqk s THR 65 CO 0.05 0.48 1.69 -0.65 -0.69 0.00 0.00 174.62 175.51 1oqk h PRO 66 N 6.69 0.07 0.00 4.92 0.11 -1.96 0.93 132.00 142.76 1oqk h PRO 66 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1oqk h PRO 66 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1oqk h PRO 66 CO 0.66 0.05 0.00 1.96 -0.21 0.00 0.00 178.00 180.45 1oqk h GLN 67 N 0.07 0.00 0.00 1.05 4.20 -2.05 -3.44 115.11 114.94 1oqk h GLN 67 Ca 0.74 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.45 1oqk h GLN 67 Cb 2.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.46 1oqk h GLN 67 CO -0.15 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.42 1oqk n GLY 68 N -1.08 0.77 3.29 3.46 0.00 0.32 -5.13 105.19 106.81 1oqk n GLY 68 Ca -0.02 0.00 -0.22 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 0.46 1.14 -0.09 1.61 2.02 -0.95 -4.97 118.70 117.92 1oqk s GLU 69 Ca 0.00 -1.24 0.02 0.00 0.02 0.00 0.00 54.97 53.77 1oqk s GLU 69 Cb 0.00 -1.26 0.02 0.00 0.10 0.00 0.00 34.13 32.98 1oqk s GLU 69 CO 0.00 0.27 -0.13 -1.17 0.02 0.00 0.00 175.26 174.25 1oqk s LEU 70 N -2.22 1.62 0.13 1.80 0.20 -1.26 -1.04 118.68 117.92 1oqk s LEU 70 Ca 0.09 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 54.62 1oqk s LEU 70 Cb -0.08 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.68 1oqk s LEU 70 CO 0.05 0.00 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.25 1oqk s VAL 71 N 0.97 1.64 -0.01 1.68 1.01 -0.35 -5.01 120.40 120.32 1oqk s VAL 71 Ca -0.08 -1.74 0.08 0.00 0.00 0.00 0.00 61.98 60.23 1oqk s VAL 71 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1oqk s VAL 71 CO -0.00 -0.27 -0.25 -1.61 0.00 0.00 0.00 175.10 172.96 1oqk s GLU 72 N -2.49 2.09 -0.04 2.72 2.02 -1.26 -1.04 118.70 120.70 1oqk s GLU 72 Ca 0.11 -0.94 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 1oqk s GLU 72 Cb -0.07 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 32.13 1oqk s GLU 72 CO 0.05 0.56 0.03 0.42 0.02 0.00 0.00 175.26 176.33 1oqk s ILE 73 N -0.65 0.09 -0.66 -1.63 1.01 0.38 -4.96 121.20 114.77 1oqk s ILE 73 Ca 0.10 0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.78 1oqk s ILE 73 Cb -0.10 -0.26 0.08 0.00 0.01 0.00 0.00 42.46 42.19 1oqk s ILE 73 CO -0.00 0.18 0.91 -1.81 0.00 0.00 0.00 174.94 174.21 1oqk s ASP 74 N 1.66 6.21 0.15 3.58 1.11 -1.26 -0.81 116.67 127.31 1oqk s ASP 74 Ca -0.01 -1.19 0.10 0.00 0.18 0.00 0.00 52.55 51.63 1oqk s ASP 74 Cb -0.13 -2.39 0.55 0.00 1.07 0.00 0.00 42.92 42.03 1oqk s ASP 74 CO -0.03 -1.33 1.30 0.61 1.18 0.00 0.00 175.17 176.91 1oqk n GLY 75 N 5.32 -0.67 0.12 0.21 0.00 0.79 0.14 105.19 111.11 1oqk n GLY 75 Ca -0.03 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1oqk n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1oqk n ARG 76 N -1.85 0.59 -0.02 1.61 1.85 -1.26 -1.24 116.66 116.34 1oqk n ARG 76 Ca -0.01 0.41 0.08 0.00 -1.00 0.00 0.00 57.85 57.34 1oqk n ARG 76 Cb 0.02 -1.63 -0.15 0.00 -1.05 0.00 0.00 32.46 29.65 1oqk n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1oqk n ALA 77 N -3.72 2.62 0.09 2.89 0.00 -1.08 -4.46 120.51 116.85 1oqk n ALA 77 Ca -0.42 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 1oqk n ALA 77 Cb 0.80 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1oqk n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1oqk h LEU 78 N 0.00 0.00 -8.45 0.00 7.12 1.00 -3.44 115.31 111.55 1oqk h LEU 78 Ca -0.05 0.00 -0.47 0.00 0.13 0.00 0.00 57.88 57.49 1oqk h LEU 78 Cb 1.03 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 1oqk h LEU 78 CO 0.00 0.86 1.67 0.52 -0.13 0.00 0.00 178.44 181.36 1oqk n VAL 79 N -3.44 -0.07 -3.76 1.05 0.31 -1.22 -4.90 118.33 106.30 1oqk n VAL 79 Ca -0.00 -0.59 -0.38 0.00 -0.01 0.00 0.00 64.34 63.36 1oqk n VAL 79 Cb 0.84 -2.19 -0.12 0.00 -0.91 0.00 0.00 33.84 31.45 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oqk s ALA 80 N 11.41 3.03 -0.47 3.52 0.00 -1.26 -5.05 121.76 132.94 1oqk s ALA 80 Ca 1.08 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1oqk s ALA 80 Cb -0.46 -2.24 0.12 0.00 0.00 0.00 0.00 23.12 20.54 1oqk s ALA 80 CO 0.32 -1.33 0.22 -0.98 0.00 0.00 0.00 175.76 173.99 1oqk s ARG 81 N 1.39 1.95 0.00 0.00 1.70 -1.26 -4.25 118.95 118.47 1oqk s ARG 81 Ca -0.02 -2.25 0.00 0.00 -0.47 0.00 0.00 55.73 52.99 1oqk s ARG 81 Cb -0.20 -3.41 0.00 0.00 -0.57 0.00 0.00 34.95 30.77 1oqk s ARG 81 CO 0.02 -1.07 0.00 -0.35 -1.08 0.00 0.00 175.30 172.83 1oqk n PRO 82 N 3.77 0.00 -0.03 3.89 -0.04 -1.25 -4.99 135.00 136.35 1oqk n PRO 82 Ca 0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1oqk n PRO 82 Cb 0.38 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.76 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 0.00 1.48 -0.09 0.54 1.02 -1.26 -4.72 120.64 117.60 1oqk n GLU 83 Ca 0.00 -0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 56.90 1oqk n GLU 83 Cb 0.00 -1.25 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1oqk n GLU 83 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1oqk h GLU 84 N 0.00 0.00 0.00 3.49 4.81 -2.01 -3.50 114.58 117.37 1oqk h GLU 84 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1oqk h GLU 84 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1oqk h GLU 84 CO 0.01 0.97 0.00 -2.13 -0.73 0.00 0.00 179.01 177.13 1oqk n ARG 85 N -4.49 0.00 0.00 1.92 0.63 -1.26 -5.13 116.66 108.33 1oqk n ARG 85 Ca -0.25 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.68 1oqk n ARG 85 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23