#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 2.47 0.00 2.89 3.76 -1.26 -4.89 115.29 118.25 1oqk s HIS 10 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1oqk s HIS 10 Cb 0.00 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1oqk s HIS 10 CO 0.00 0.12 0.00 0.39 -0.85 0.00 0.00 174.74 174.40 1oqk n GLU 11 N 2.02 0.00 0.00 1.40 -0.58 -1.26 -3.18 120.64 119.04 1oqk n GLU 11 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1oqk n GLU 11 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1oqk n GLU 11 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1oqk n LEU 12 N 0.00 0.00 -4.60 -4.62 7.94 -1.26 -5.15 117.00 109.31 1oqk n LEU 12 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 1oqk n LEU 12 Cb 0.00 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.07 1oqk n LEU 12 CO 0.00 0.00 0.48 -0.38 -1.11 0.00 0.00 177.39 176.38 1oqk n ILE 13 N -0.03 1.37 0.00 1.96 -0.00 -1.19 -3.82 119.36 117.66 1oqk n ILE 13 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 1oqk n ILE 13 Cb 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 39.64 38.65 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 0.88 0.60 3.78 7.39 0.00 -1.26 -4.51 105.19 112.07 1oqk n GLY 14 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 0.17 0.99 1.43 -1.25 -4.97 118.68 118.39 1oqk s LEU 15 Ca 0.00 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1oqk s LEU 15 Cb 0.00 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1oqk s LEU 15 CO 0.00 -0.39 0.27 -0.94 0.23 0.00 0.00 176.35 175.52 1oqk s SER 16 N -3.93 6.14 -0.11 2.29 1.04 -0.96 -2.50 113.70 115.67 1oqk s SER 16 Ca 0.40 0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.83 1oqk s SER 16 Cb -0.03 -1.79 0.04 0.00 0.10 0.00 0.00 66.02 64.35 1oqk s SER 16 CO 0.24 0.03 0.27 0.54 0.98 0.00 0.00 173.24 175.30 1oqk s VAL 17 N -1.81 -0.02 -0.11 5.02 0.11 0.15 -0.48 120.40 123.26 1oqk s VAL 17 Ca 0.34 0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1oqk s VAL 17 Cb -0.10 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1oqk s VAL 17 CO 0.27 0.03 -0.17 0.00 -3.33 0.00 0.00 175.10 171.90 1oqk s ARG 18 N 0.80 3.18 -0.30 1.54 1.70 -0.16 0.02 118.95 125.72 1oqk s ARG 18 Ca -0.05 -0.76 -0.16 0.00 -0.47 0.00 0.00 55.73 54.29 1oqk s ARG 18 Cb -0.07 -2.48 -0.02 0.00 -0.57 0.00 0.00 34.95 31.81 1oqk s ARG 18 CO -0.05 0.24 0.40 0.42 -1.08 0.00 0.00 175.30 175.23 1oqk s ILE 19 N 0.26 5.14 -0.08 4.99 1.09 -1.23 -1.90 121.20 129.47 1oqk s ILE 19 Ca -0.12 0.41 -0.03 0.00 -1.10 0.00 0.00 60.65 59.82 1oqk s ILE 19 Cb -0.16 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1oqk s ILE 19 CO 0.06 0.02 -0.05 0.00 -0.10 0.00 0.00 174.94 174.88 1oqk h ALA 20 N 8.29 0.00 -3.67 9.38 0.00 -1.68 -3.29 119.26 128.29 1oqk h ALA 20 Ca -0.30 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.74 1oqk h ALA 20 Cb 1.15 0.15 -0.19 0.00 0.00 0.00 0.00 17.79 18.89 1oqk h ALA 20 CO 0.68 0.15 -0.70 1.03 0.00 0.00 0.00 179.25 180.41 1oqk s ARG 21 N -1.55 2.78 0.14 0.00 3.00 -1.22 -3.83 118.95 118.26 1oqk s ARG 21 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 55.73 55.13 1oqk s ARG 21 Cb 0.01 -2.59 -0.04 0.00 0.00 0.00 0.00 34.95 32.32 1oqk s ARG 21 CO 0.06 0.64 0.02 0.45 0.00 0.00 0.00 175.30 176.47 1oqk s SER 22 N -0.74 0.74 0.21 0.23 0.15 -1.26 -1.66 113.70 111.38 1oqk s SER 22 Ca 0.11 -1.16 0.08 0.00 0.70 0.00 0.00 55.95 55.68 1oqk s SER 22 Cb -0.11 0.20 0.14 0.00 -1.71 0.00 0.00 66.02 64.54 1oqk s SER 22 CO 0.01 -0.63 1.48 1.62 1.20 0.00 0.00 173.24 176.92 1oqk h VAL 23 N 2.83 1.52 -4.23 4.45 3.04 -1.73 -3.44 116.25 118.69 1oqk h VAL 23 Ca -0.36 -2.55 -0.69 0.00 -1.01 0.00 0.00 66.70 62.09 1oqk h VAL 23 Cb 1.19 2.38 -0.31 0.00 -2.01 0.00 0.00 31.29 32.54 1oqk h VAL 23 CO 0.62 0.73 -0.89 -1.00 -1.01 0.00 0.00 177.57 176.02 1oqk s HIS 24 N -3.31 2.40 0.47 3.17 3.76 -1.26 -5.01 115.29 115.51 1oqk s HIS 24 Ca -0.01 -0.62 0.28 0.00 -0.15 0.00 0.00 55.06 54.56 1oqk s HIS 24 Cb 0.11 -1.56 1.56 0.00 1.11 0.00 0.00 32.58 33.81 1oqk s HIS 24 CO 0.79 -0.15 2.13 0.07 -0.85 0.00 0.00 174.74 176.73 1oqk h ARG 25 N 5.85 0.00 0.00 1.40 0.11 -1.92 0.32 114.38 120.14 1oqk h ARG 25 Ca -0.36 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.68 1oqk h ARG 25 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 1oqk h ARG 25 CO 0.47 0.08 -0.21 -0.44 0.10 0.00 0.00 179.97 179.97 1oqk h ASP 26 N 0.00 0.00 0.00 0.08 3.32 -1.99 -2.99 116.42 114.85 1oqk h ASP 26 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1oqk h ASP 26 Cb 0.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1oqk h ASP 26 CO 0.01 0.21 -1.82 -0.38 -1.72 0.00 0.00 179.24 175.54 1oqk n ILE 27 N -3.80 0.41 -1.64 0.35 2.08 -0.59 -4.93 119.36 111.25 1oqk n ILE 27 Ca -0.02 -0.46 -0.40 0.00 0.56 0.00 0.00 62.75 62.43 1oqk n ILE 27 Cb 0.32 -0.17 0.03 0.00 -0.75 0.00 0.00 39.64 39.06 1oqk n ILE 27 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1oqk n GLN 28 N -2.24 1.35 -0.95 0.38 -0.06 0.10 -1.67 117.38 114.30 1oqk n GLN 28 Ca -0.11 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 1oqk n GLN 28 Cb 0.64 -2.17 0.00 0.00 -4.06 0.00 0.00 30.24 24.64 1oqk n GLN 28 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1oqk n GLY 29 N 1.12 0.11 3.52 1.69 0.00 -1.24 -4.95 105.19 105.44 1oqk n GLY 29 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.25 4.65 0.55 -0.61 1.01 -0.67 -4.94 121.20 119.94 1oqk s ILE 30 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.67 1oqk s ILE 30 Cb 0.00 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.36 1oqk s ILE 30 CO 0.00 0.34 0.63 -0.94 0.00 0.00 0.00 174.94 174.96 1oqk s SER 31 N 1.43 4.97 0.00 3.58 1.04 -1.26 -3.49 113.70 119.96 1oqk s SER 31 Ca 0.06 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1oqk s SER 31 Cb -0.15 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1oqk s SER 31 CO 0.05 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1oqk n GLY 32 N -2.02 -1.27 4.01 7.32 0.00 0.10 -4.92 105.19 108.41 1oqk n GLY 32 Ca 0.09 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.92 2.67 0.14 1.61 3.00 -1.26 0.32 118.95 124.51 1oqk s ARG 33 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 55.73 54.55 1oqk s ARG 33 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 34.95 32.23 1oqk s ARG 33 CO 0.00 -0.47 0.23 0.54 0.00 0.00 0.00 175.30 175.60 1oqk s VAL 34 N -2.49 5.10 0.03 3.52 0.11 0.17 -0.75 120.40 126.09 1oqk s VAL 34 Ca 0.57 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1oqk s VAL 34 Cb -0.09 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 1oqk s VAL 34 CO 0.35 -0.06 0.00 0.55 -3.33 0.00 0.00 175.10 172.61 1oqk n VAL 35 N -0.37 0.02 -3.74 2.04 3.14 -0.00 -1.99 118.33 117.43 1oqk n VAL 35 Ca -0.07 0.01 -0.08 0.00 -2.96 0.00 0.00 64.34 61.24 1oqk n VAL 35 Cb 0.54 -0.63 -0.02 0.00 -1.06 0.00 0.00 33.84 32.66 1oqk n VAL 35 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1oqk s ASP 36 N -5.02 -0.32 -0.04 6.55 -4.77 -0.98 -4.81 116.67 107.29 1oqk s ASP 36 Ca 0.00 -0.43 0.05 0.00 -3.30 0.00 0.00 52.55 48.88 1oqk s ASP 36 Cb 0.00 0.65 -0.02 0.00 -1.09 0.00 0.00 42.92 42.46 1oqk s ASP 36 CO 0.00 -1.18 -0.20 -0.70 0.70 0.00 0.00 175.17 173.79 1oqk s GLU 37 N -3.76 2.38 0.13 2.11 2.12 -1.26 -2.26 118.70 118.16 1oqk s GLU 37 Ca 0.09 -0.81 0.10 0.00 0.36 0.00 0.00 54.97 54.71 1oqk s GLU 37 Cb -0.04 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 1oqk s GLU 37 CO 0.01 0.56 -0.25 0.99 -0.54 0.00 0.00 175.26 176.03 1oqk s THR 38 N -0.58 2.12 0.45 -1.70 2.01 0.12 -5.00 115.64 113.07 1oqk s THR 38 Ca 0.08 -1.72 0.30 0.00 0.31 0.00 0.00 61.69 60.67 1oqk s THR 38 Cb -0.11 -1.89 0.50 0.00 0.01 0.00 0.00 72.50 71.01 1oqk s THR 38 CO 0.00 0.04 1.66 -0.09 -0.69 0.00 0.00 174.62 175.54 1oqk h ARG 39 N 3.89 0.12 0.00 4.92 2.43 -2.01 -2.42 114.38 121.32 1oqk h ARG 39 Ca -0.50 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 1oqk h ARG 39 Cb 1.17 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 1oqk h ARG 39 CO 0.40 0.08 -0.60 0.27 -1.51 0.00 0.00 179.97 178.60 1oqk n ASN 40 N -4.57 0.20 -3.87 -3.80 2.04 -1.26 -4.63 115.26 99.37 1oqk n ASN 40 Ca 0.35 -1.99 -0.08 0.00 -0.44 0.00 0.00 54.58 52.42 1oqk n ASN 40 Cb 1.37 -0.22 -0.03 0.00 -2.53 0.00 0.00 39.78 38.38 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 0.00 -0.01 5.53 -4.23 -0.91 -4.23 115.64 111.78 1oqk s THR 41 Ca 0.07 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1oqk s THR 41 Cb 0.08 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.94 1oqk s THR 41 CO -0.03 -0.00 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.28 1oqk s LEU 42 N -2.93 1.61 -0.18 4.79 1.43 -0.33 0.16 118.68 123.24 1oqk s LEU 42 Ca 0.13 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1oqk s LEU 42 Cb -0.05 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.04 1oqk s LEU 42 CO 0.06 -0.04 -0.09 -0.60 0.23 0.00 0.00 176.35 175.91 1oqk s ARG 43 N 0.44 3.37 -0.23 1.70 3.52 -0.96 -0.30 118.95 126.48 1oqk s ARG 43 Ca -0.04 -0.66 -0.14 0.00 -0.13 0.00 0.00 55.73 54.76 1oqk s ARG 43 Cb -0.06 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1oqk s ARG 43 CO -0.01 -0.00 0.32 0.42 -0.81 0.00 0.00 175.30 175.22 1oqk s ILE 44 N 0.92 5.24 -0.00 4.11 1.01 0.31 -0.82 121.20 131.97 1oqk s ILE 44 Ca -0.02 0.51 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1oqk s ILE 44 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1oqk s ILE 44 CO -0.00 0.25 -0.12 -0.70 0.00 0.00 0.00 174.94 174.37 1oqk s GLU 45 N 1.49 0.92 -0.09 2.79 2.12 0.08 0.44 118.70 126.45 1oqk s GLU 45 Ca 0.14 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 55.08 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 0.08 0.24 -0.22 0.00 -0.54 0.00 0.00 175.26 174.82 1oqk s MET 46 N -0.34 2.91 0.60 4.30 0.23 -0.42 0.42 119.30 127.00 1oqk s MET 46 Ca 0.04 -0.84 0.30 0.00 -1.03 0.00 0.00 55.69 54.16 1oqk s MET 46 Cb -0.05 -2.32 1.14 0.00 -1.53 0.00 0.00 34.83 32.08 1oqk s MET 46 CO -0.00 0.28 1.45 0.22 -2.03 0.00 0.00 175.02 174.94 1oqk h ASP 47 N 6.41 0.00 0.00 -1.18 3.58 -1.91 0.82 116.42 124.14 1oqk h ASP 47 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1oqk h ASP 47 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1oqk h ASP 47 CO 0.49 0.00 0.04 -0.67 -2.88 0.00 0.00 179.24 176.22 1oqk n ASP 48 N -3.44 0.52 0.00 2.28 2.03 -1.26 -4.76 116.55 111.93 1oqk n ASP 48 Ca 0.24 0.73 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1oqk n ASP 48 Cb 1.45 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oqk n GLY 49 N -1.30 1.05 3.82 0.27 0.00 0.28 -5.10 105.19 104.22 1oqk n GLY 49 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.34 2.95 -0.16 1.61 3.00 -0.97 -4.97 118.95 120.06 1oqk s ARG 50 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 55.73 54.65 1oqk s ARG 50 Cb 0.00 -2.61 0.05 0.00 0.00 0.00 0.00 34.95 32.39 1oqk s ARG 50 CO 0.00 0.43 0.40 -1.21 0.00 0.00 0.00 175.30 174.92 1oqk s GLU 51 N -3.59 0.42 0.03 3.54 2.02 -1.26 -1.30 118.70 118.56 1oqk s GLU 51 Ca 0.32 0.68 -0.03 0.00 0.02 0.00 0.00 54.97 55.96 1oqk s GLU 51 Cb -0.09 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1oqk s GLU 51 CO 0.25 -0.11 0.04 -1.50 0.02 0.00 0.00 175.26 173.95 1oqk s ILE 52 N 0.87 0.14 0.14 -1.63 1.10 0.17 -4.99 121.20 117.00 1oqk s ILE 52 Ca -0.05 -1.17 0.02 0.00 -0.51 0.00 0.00 60.65 58.94 1oqk s ILE 52 Cb -0.06 -0.82 -0.04 0.00 0.15 0.00 0.00 42.46 41.70 1oqk s ILE 52 CO -0.07 -0.64 0.27 -0.89 -2.11 0.00 0.00 174.94 171.50 1oqk s THR 53 N -2.49 5.31 -0.15 4.00 2.01 -1.26 0.12 115.64 123.18 1oqk s THR 53 Ca -0.06 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 1oqk s THR 53 Cb -0.02 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.82 1oqk s THR 53 CO -0.04 -0.07 0.35 -0.69 -0.69 0.00 0.00 174.62 173.48 1oqk s VAL 54 N -1.72 -0.03 0.02 3.82 1.01 0.59 -4.88 120.40 119.22 1oqk s VAL 54 Ca 0.34 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1oqk s VAL 54 Cb -0.11 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1oqk s VAL 54 CO 0.28 0.05 1.19 -2.84 0.00 0.00 0.00 175.10 173.77 1oqk s PRO 55 N 1.35 4.42 0.00 2.72 0.02 -1.26 -1.18 135.00 141.06 1oqk s PRO 55 Ca -0.09 1.72 0.22 0.00 0.02 0.00 0.00 61.00 62.87 1oqk s PRO 55 Cb -0.09 -3.42 0.08 0.00 0.02 0.00 0.00 34.50 31.09 1oqk s PRO 55 CO -0.11 -0.30 1.13 0.36 -0.33 0.00 0.00 177.00 177.75 1oqk n LYS 56 N 4.31 1.71 -0.30 5.54 2.85 -1.26 -4.31 118.16 126.71 1oqk n LYS 56 Ca 0.09 -1.39 0.28 0.00 -1.05 0.00 0.00 58.31 56.24 1oqk n LYS 56 Cb 0.47 -1.44 0.63 0.00 -0.65 0.00 0.00 35.03 34.03 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 4.57 0.57 -5.17 2.58 0.00 -1.75 -3.19 103.07 100.69 1oqk h GLY 57 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 47.33 46.95 1oqk h GLY 57 CO 0.00 -0.06 -0.58 1.39 0.00 0.00 0.00 176.54 177.29 1oqk n ILE 58 N -4.40 -0.06 -3.68 2.60 -0.00 -0.93 -4.49 119.36 108.39 1oqk n ILE 58 Ca 0.24 -1.99 -0.27 0.00 -0.00 0.00 0.00 62.75 60.73 1oqk n ILE 58 Cb 1.02 1.09 -0.17 0.00 -0.00 0.00 0.00 39.64 41.58 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 0.03 0.75 0.06 -1.39 0.00 -0.99 -2.26 121.76 117.95 1oqk s ALA 59 Ca 0.28 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 1oqk s ALA 59 Cb 0.27 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1oqk s ALA 59 CO -0.12 -1.16 0.84 0.54 0.00 0.00 0.00 175.76 175.85 1oqk s VAL 60 N 1.98 4.68 -0.01 0.00 0.11 -0.66 -0.05 120.40 126.45 1oqk s VAL 60 Ca 0.00 1.79 -0.24 0.00 -2.93 0.00 0.00 61.98 60.61 1oqk s VAL 60 Cb -0.17 -4.19 0.05 0.00 -1.53 0.00 0.00 36.38 30.54 1oqk s VAL 60 CO -0.08 0.33 0.53 0.72 -3.33 0.00 0.00 175.10 173.27 1oqk s PHE 61 N 0.06 -0.46 0.03 1.54 -0.12 -0.13 -1.77 117.98 117.12 1oqk s PHE 61 Ca 0.42 0.69 0.09 0.00 -0.05 0.00 0.00 56.93 58.07 1oqk s PHE 61 Cb -0.21 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1oqk s PHE 61 CO 0.25 -0.57 -0.25 -1.01 -0.05 0.00 0.00 175.22 173.59 1oqk s HIS 62 N -1.65 2.36 0.11 3.49 3.76 -0.80 -1.20 115.29 121.36 1oqk s HIS 62 Ca -0.10 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 1oqk s HIS 62 Cb -0.02 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 1oqk s HIS 62 CO 0.05 0.10 0.16 -0.06 -0.85 0.00 0.00 174.74 174.13 1oqk s PHE 63 N -0.76 3.30 -0.02 1.40 0.40 -0.59 -0.99 117.98 120.71 1oqk s PHE 63 Ca 0.12 0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 1oqk s PHE 63 Cb -0.10 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 1oqk s PHE 63 CO 0.01 0.53 -0.19 1.03 0.70 0.00 0.00 175.22 177.31 1oqk s ARG 64 N -2.77 1.64 -0.09 0.44 1.81 0.37 -0.49 118.95 119.86 1oqk s ARG 64 Ca 0.32 -0.68 0.03 0.00 -1.72 0.00 0.00 55.73 53.68 1oqk s ARG 64 Cb -0.12 -1.54 -0.01 0.00 -0.45 0.00 0.00 34.95 32.83 1oqk s ARG 64 CO 0.25 0.38 -0.20 0.99 -0.68 0.00 0.00 175.30 176.04 1oqk s THR 65 N -0.34 2.51 0.41 0.02 2.01 -0.83 -2.28 115.64 117.14 1oqk s THR 65 Ca 0.05 -0.88 0.24 0.00 0.31 0.00 0.00 61.69 61.41 1oqk s THR 65 Cb -0.08 -1.98 0.43 0.00 0.01 0.00 0.00 72.50 70.87 1oqk s THR 65 CO -0.00 0.56 1.68 -0.65 -0.69 0.00 0.00 174.62 175.51 1oqk h PRO 66 N 6.36 0.21 0.00 4.92 0.11 -1.93 0.92 132.00 142.59 1oqk h PRO 66 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1oqk h PRO 66 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1oqk h PRO 66 CO 0.50 0.14 0.00 1.96 -0.21 0.00 0.00 178.00 180.39 1oqk h GLN 67 N 0.21 0.00 0.00 1.05 4.20 -2.03 -3.44 115.11 115.10 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 2.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.88 1oqk h GLN 67 CO -0.41 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.16 1oqk n GLY 68 N -1.12 0.84 3.56 3.46 0.00 0.32 -5.13 105.19 107.12 1oqk n GLY 68 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 2.04 -0.24 1.61 0.41 -0.97 -4.96 118.70 116.92 1oqk s GLU 69 Ca 0.00 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.38 1oqk s GLU 69 Cb 0.00 -2.19 0.07 0.00 -1.78 0.00 0.00 34.13 30.22 1oqk s GLU 69 CO 0.00 0.46 -0.02 -1.17 -0.49 0.00 0.00 175.26 174.04 1oqk s LEU 70 N -2.55 2.50 0.25 1.80 0.20 -1.26 -1.96 118.68 117.66 1oqk s LEU 70 Ca 0.23 -1.24 0.01 0.00 0.69 0.00 0.00 54.13 53.81 1oqk s LEU 70 Cb -0.10 -1.10 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 1oqk s LEU 70 CO 0.14 -0.27 0.43 -0.69 -0.29 0.00 0.00 176.35 175.67 1oqk s VAL 71 N 1.45 5.18 -0.00 1.68 1.01 0.36 -4.94 120.40 125.13 1oqk s VAL 71 Ca -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1oqk s VAL 71 Cb -0.18 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1oqk s VAL 71 CO -0.08 -0.31 -0.11 -0.70 0.00 0.00 0.00 175.10 173.90 1oqk s GLU 72 N -3.72 0.85 -0.14 2.72 2.12 -1.26 -1.54 118.70 117.73 1oqk s GLU 72 Ca 0.38 -0.40 -0.06 0.00 0.36 0.00 0.00 54.97 55.24 1oqk s GLU 72 Cb -0.10 -0.82 0.06 0.00 0.26 0.00 0.00 34.13 33.53 1oqk s GLU 72 CO 0.31 0.22 0.31 0.42 -0.54 0.00 0.00 175.26 175.99 1oqk s ILE 73 N -0.30 -0.23 -0.57 -3.70 -1.09 -0.34 -4.97 121.20 110.01 1oqk s ILE 73 Ca 0.04 0.18 -0.17 0.00 -2.23 0.00 0.00 60.65 58.46 1oqk s ILE 73 Cb -0.04 -0.49 0.12 0.00 -1.58 0.00 0.00 42.46 40.47 1oqk s ILE 73 CO -0.00 0.07 0.58 1.51 -1.23 0.00 0.00 174.94 175.87 1oqk s ASP 74 N 1.81 6.20 0.13 3.58 -4.77 -1.26 -0.95 116.67 121.40 1oqk s ASP 74 Ca -0.05 -1.67 0.16 0.00 -3.30 0.00 0.00 52.55 47.69 1oqk s ASP 74 Cb -0.11 -2.25 0.72 0.00 -1.09 0.00 0.00 42.92 40.20 1oqk s ASP 74 CO -0.10 -0.96 1.50 0.61 0.70 0.00 0.00 175.17 176.92 1oqk n GLY 75 N 5.25 -0.99 0.12 2.12 0.00 0.92 0.11 105.19 112.72 1oqk n GLY 75 Ca -0.12 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.86 0.67 -0.00 1.61 0.63 -1.26 -2.19 116.66 114.26 1oqk n ARG 76 Ca 0.02 0.15 0.10 0.00 -0.92 0.00 0.00 57.85 57.19 1oqk n ARG 76 Cb 0.14 -1.56 -0.13 0.00 0.45 0.00 0.00 32.46 31.36 1oqk n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1oqk n ALA 77 N -3.09 4.04 -1.33 5.13 0.00 -1.13 -4.36 120.51 119.78 1oqk n ALA 77 Ca -0.40 -0.54 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 1oqk n ALA 77 Cb 1.03 -0.71 0.16 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.69 6.34 -4.55 0.00 -0.00 0.30 -4.93 117.00 112.48 1oqk n LEU 78 Ca 0.02 -3.82 -0.41 0.00 -0.00 0.00 0.00 56.01 51.79 1oqk n LEU 78 Cb 0.37 -0.81 -0.03 0.00 -0.00 0.00 0.00 43.42 42.96 1oqk n LEU 78 CO 0.41 1.22 1.17 -0.69 -0.00 0.00 0.00 177.39 179.49 1oqk s VAL 79 N -3.63 3.75 -0.46 1.96 1.01 -1.26 -4.90 120.40 116.87 1oqk s VAL 79 Ca 0.56 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 1oqk s VAL 79 Cb 0.47 -4.87 0.10 0.00 0.00 0.00 0.00 36.38 32.08 1oqk s VAL 79 CO 0.06 -1.77 0.34 0.00 0.00 0.00 0.00 175.10 173.73 1oqk s ALA 80 N 5.71 3.40 -0.47 5.51 0.00 -1.26 -5.02 121.76 129.63 1oqk s ALA 80 Ca 0.37 -2.39 0.01 0.00 0.00 0.00 0.00 51.96 49.95 1oqk s ALA 80 Cb -0.08 -2.83 0.12 0.00 0.00 0.00 0.00 23.12 20.33 1oqk s ALA 80 CO 0.16 -1.83 0.23 1.03 0.00 0.00 0.00 175.76 175.36 1oqk s ARG 81 N 1.42 1.96 0.08 0.00 1.81 -1.26 -4.81 118.95 118.15 1oqk s ARG 81 Ca 0.04 -2.25 0.13 0.00 -1.72 0.00 0.00 55.73 51.93 1oqk s ARG 81 Cb -0.25 -3.42 0.57 0.00 -0.45 0.00 0.00 34.95 31.40 1oqk s ARG 81 CO 0.01 -1.07 1.40 -2.30 -0.68 0.00 0.00 175.30 172.66 1oqk n PRO 82 N 3.77 0.05 -0.02 3.54 -0.02 -1.26 -2.33 135.00 138.72 1oqk n PRO 82 Ca 0.04 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.95 1oqk n PRO 82 Cb 0.38 -1.62 -0.11 0.00 -0.02 0.00 0.00 33.50 32.13 1oqk n PRO 82 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1oqk n GLU 83 N -1.72 0.82 -0.30 -0.52 4.07 -1.26 -4.41 120.64 117.32 1oqk n GLU 83 Ca 0.02 -0.10 0.09 0.00 -0.06 0.00 0.00 57.16 57.11 1oqk n GLU 83 Cb 0.12 -1.34 0.25 0.00 -0.06 0.00 0.00 31.44 30.41 1oqk n GLU 83 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1oqk n GLU 84 N -2.13 2.38 -2.22 5.31 -0.58 -0.99 -5.02 120.64 117.38 1oqk n GLU 84 Ca -0.08 -2.01 -0.00 0.00 -0.42 0.00 0.00 57.16 54.65 1oqk n GLU 84 Cb 0.53 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1oqk n GLU 84 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1oqk n ARG 85 N 1.08 -2.28 0.00 3.49 1.85 -1.07 -5.02 116.66 114.72 1oqk n ARG 85 Ca 0.19 1.67 0.00 0.00 -1.00 0.00 0.00 57.85 58.71 1oqk n ARG 85 Cb 0.50 -2.34 0.00 0.00 -1.05 0.00 0.00 32.46 29.56 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73