#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 3.79 0.01 2.89 2.46 -1.26 -5.04 115.29 118.14 1oqk s HIS 10 Ca 0.00 -2.97 0.04 0.00 0.47 0.00 0.00 55.06 52.60 1oqk s HIS 10 Cb 0.00 -3.22 -0.01 0.00 -0.13 0.00 0.00 32.58 29.21 1oqk s HIS 10 CO 0.00 -0.75 -0.11 -1.21 -2.47 0.00 0.00 174.74 170.20 1oqk s GLU 11 N -1.08 0.82 -0.00 2.88 2.02 -1.26 -5.02 118.70 117.05 1oqk s GLU 11 Ca 0.25 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1oqk s GLU 11 Cb -0.10 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.35 1oqk s GLU 11 CO -0.11 0.20 0.64 -0.11 0.02 0.00 0.00 175.26 175.91 1oqk n LEU 12 N 2.37 0.47 -4.91 1.80 7.94 -1.26 -5.09 117.00 118.32 1oqk n LEU 12 Ca -0.16 -0.53 -0.27 0.00 -1.11 0.00 0.00 56.01 53.94 1oqk n LEU 12 Cb 0.56 -0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.48 1oqk n LEU 12 CO 0.24 0.13 0.27 -0.63 -1.11 0.00 0.00 177.39 176.29 1oqk s ILE 13 N -0.26 5.00 0.00 1.96 1.09 -1.26 -4.28 121.20 123.44 1oqk s ILE 13 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 1oqk s ILE 13 Cb 0.00 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.60 1oqk s ILE 13 CO 0.00 -0.53 0.00 0.61 -0.10 0.00 0.00 174.94 174.92 1oqk n GLY 14 N -1.51 3.19 3.93 6.18 0.00 -1.26 -5.05 105.19 110.67 1oqk n GLY 14 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 3.73 0.30 0.99 0.05 -1.26 -4.95 118.68 117.54 1oqk s LEU 15 Ca 0.00 -0.39 0.00 0.00 0.05 0.00 0.00 54.13 53.79 1oqk s LEU 15 Cb 0.00 -2.46 -0.04 0.00 -2.05 0.00 0.00 46.19 41.65 1oqk s LEU 15 CO 0.00 -0.46 0.50 -0.55 -0.55 0.00 0.00 176.35 175.28 1oqk s SER 16 N -4.12 6.33 0.10 1.48 0.15 -0.84 -3.30 113.70 113.50 1oqk s SER 16 Ca 0.45 0.41 0.05 0.00 0.70 0.00 0.00 55.95 57.56 1oqk s SER 16 Cb -0.07 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1oqk s SER 16 CO 0.29 -0.21 -0.13 0.54 1.20 0.00 0.00 173.24 174.93 1oqk s VAL 17 N -2.17 1.16 -0.02 4.45 0.11 0.14 -1.43 120.40 122.63 1oqk s VAL 17 Ca 0.39 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 1oqk s VAL 17 Cb -0.10 -1.31 0.03 0.00 -1.53 0.00 0.00 36.38 33.47 1oqk s VAL 17 CO 0.33 -0.37 0.03 -0.60 -3.33 0.00 0.00 175.10 171.16 1oqk s ARG 18 N -2.32 -0.03 -0.39 1.54 3.52 0.35 -1.77 118.95 119.85 1oqk s ARG 18 Ca 0.04 0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 1oqk s ARG 18 Cb -0.07 -0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.13 1oqk s ARG 18 CO 0.02 -0.15 0.24 0.42 -0.81 0.00 0.00 175.30 175.02 1oqk s ILE 19 N 0.97 4.75 -0.42 4.11 -1.09 -1.21 -0.85 121.20 127.46 1oqk s ILE 19 Ca -0.08 -0.85 0.24 0.00 -2.23 0.00 0.00 60.65 57.73 1oqk s ILE 19 Cb -0.12 -3.67 0.34 0.00 -1.58 0.00 0.00 42.46 37.43 1oqk s ILE 19 CO -0.03 -0.29 1.66 0.00 -1.23 0.00 0.00 174.94 175.06 1oqk h ALA 20 N 8.49 1.00 -2.09 9.38 0.00 -1.93 -2.71 119.26 131.40 1oqk h ALA 20 Ca -0.26 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1oqk h ALA 20 Cb 1.11 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 1oqk h ALA 20 CO 0.70 0.00 0.10 0.50 0.00 0.00 0.00 179.25 180.55 1oqk s ARG 21 N -3.24 0.91 0.12 0.00 6.06 -1.26 -4.66 118.95 116.88 1oqk s ARG 21 Ca 0.07 0.52 -0.01 0.00 -2.50 0.00 0.00 55.73 53.81 1oqk s ARG 21 Cb 0.06 0.43 -0.04 0.00 0.06 0.00 0.00 34.95 35.46 1oqk s ARG 21 CO 0.65 -0.21 0.04 -1.12 -2.50 0.00 0.00 175.30 172.15 1oqk s SER 22 N -0.52 0.39 0.23 -2.12 0.01 -1.26 -2.26 113.70 108.18 1oqk s SER 22 Ca -0.06 -1.17 -0.07 0.00 1.31 0.00 0.00 55.95 55.96 1oqk s SER 22 Cb -0.02 0.27 0.27 0.00 0.21 0.00 0.00 66.02 66.74 1oqk s SER 22 CO 0.06 -0.70 1.86 1.62 0.41 0.00 0.00 173.24 176.49 1oqk h VAL 23 N 2.91 1.10 -3.88 3.43 3.04 -1.61 -3.42 116.25 117.82 1oqk h VAL 23 Ca -0.35 -0.34 -0.68 0.00 -1.01 0.00 0.00 66.70 64.31 1oqk h VAL 23 Cb 1.19 0.01 -0.25 0.00 -2.01 0.00 0.00 31.29 30.23 1oqk h VAL 23 CO 0.61 0.18 -0.78 -1.00 -1.01 0.00 0.00 177.57 175.56 1oqk s HIS 24 N -6.09 2.69 0.52 3.17 3.76 -1.26 -5.00 115.29 113.08 1oqk s HIS 24 Ca -0.13 -0.34 0.31 0.00 -0.15 0.00 0.00 55.06 54.75 1oqk s HIS 24 Cb 0.17 -1.67 1.76 0.00 1.11 0.00 0.00 32.58 33.95 1oqk s HIS 24 CO 0.79 0.04 2.20 0.00 -0.85 0.00 0.00 174.74 176.92 1oqk h ARG 25 N 5.75 0.00 0.00 1.40 3.08 -1.93 0.19 114.38 122.86 1oqk h ARG 25 Ca -0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1oqk h ARG 25 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 1oqk h ARG 25 CO 0.51 0.04 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.87 1oqk h ASP 26 N 0.00 0.00 0.00 7.04 5.19 -1.96 -3.09 116.42 123.60 1oqk h ASP 26 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1oqk h ASP 26 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1oqk h ASP 26 CO 0.01 0.14 -1.13 2.30 -3.12 0.00 0.00 179.24 177.44 1oqk n ILE 27 N -3.42 0.00 -1.73 0.35 -5.35 -0.45 -5.01 119.36 103.75 1oqk n ILE 27 Ca -0.01 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 1oqk n ILE 27 Cb 0.32 0.48 -0.01 0.00 -1.74 0.00 0.00 39.64 38.70 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 -1.64 2.39 -0.99 6.28 0.00 0.53 -2.07 117.38 121.89 1oqk n GLN 28 Ca -0.01 0.84 0.00 0.00 -0.00 0.00 0.00 57.00 57.83 1oqk n GLN 28 Cb 0.19 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 27.92 1oqk n GLN 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oqk n GLY 29 N 1.05 0.41 3.57 1.69 0.00 -1.02 -4.94 105.19 105.95 1oqk n GLY 29 Ca 0.05 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1oqk n GLY 29 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1oqk s ILE 30 N -2.00 3.80 -0.06 -0.61 1.10 -0.88 -4.81 121.20 117.74 1oqk s ILE 30 Ca 0.00 0.64 -0.13 0.00 -0.51 0.00 0.00 60.65 60.65 1oqk s ILE 30 Cb 0.00 -4.60 -0.05 0.00 0.15 0.00 0.00 42.46 37.96 1oqk s ILE 30 CO 0.00 -1.37 0.32 -0.55 -2.11 0.00 0.00 174.94 171.24 1oqk s SER 31 N 4.11 6.63 0.00 4.50 0.15 -1.26 -3.32 113.70 124.51 1oqk s SER 31 Ca 0.47 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1oqk s SER 31 Cb -0.09 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1oqk s SER 31 CO 0.22 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1oqk n GLY 32 N 2.21 -0.67 3.96 9.45 0.00 -0.73 -5.04 105.19 114.38 1oqk n GLY 32 Ca -0.15 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.06 2.69 0.16 1.61 0.52 -1.26 0.25 118.95 122.86 1oqk s ARG 33 Ca 0.00 -1.38 0.04 0.00 -0.52 0.00 0.00 55.73 53.87 1oqk s ARG 33 Cb 0.00 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 1oqk s ARG 33 CO 0.00 -0.28 0.18 0.08 0.02 0.00 0.00 175.30 175.30 1oqk s VAL 34 N -2.42 4.77 0.01 3.52 1.01 0.17 -2.20 120.40 125.26 1oqk s VAL 34 Ca 0.53 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1oqk s VAL 34 Cb -0.07 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1oqk s VAL 34 CO 0.31 -0.09 0.00 0.55 0.00 0.00 0.00 175.10 175.87 1oqk n VAL 35 N -0.38 0.00 -3.47 2.92 3.14 -1.01 -1.82 118.33 117.71 1oqk n VAL 35 Ca -0.08 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.15 1oqk n VAL 35 Cb 0.54 -0.63 -0.04 0.00 -1.06 0.00 0.00 33.84 32.66 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 -5.00 -0.61 -0.09 6.55 1.01 -0.97 -4.75 116.67 112.79 1oqk s ASP 36 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.64 1oqk s ASP 36 Cb 0.00 0.57 0.02 0.00 1.01 0.00 0.00 42.92 44.52 1oqk s ASP 36 CO 0.00 -0.78 -0.08 -1.83 0.21 0.00 0.00 175.17 172.70 1oqk s GLU 37 N -2.40 1.42 0.20 8.23 1.03 -1.26 0.15 118.70 126.06 1oqk s GLU 37 Ca -0.05 -0.24 0.08 0.00 0.03 0.00 0.00 54.97 54.78 1oqk s GLU 37 Cb -0.00 -1.43 -0.04 0.00 -0.80 0.00 0.00 34.13 31.86 1oqk s GLU 37 CO -0.01 -0.19 0.01 0.99 -1.33 0.00 0.00 175.26 174.73 1oqk s THR 38 N 1.43 3.71 0.59 1.83 2.01 0.25 -4.97 115.64 120.49 1oqk s THR 38 Ca -0.01 -1.53 0.38 0.00 0.31 0.00 0.00 61.69 60.84 1oqk s THR 38 Cb -0.13 -2.90 0.38 0.00 0.01 0.00 0.00 72.50 69.85 1oqk s THR 38 CO -0.05 -0.19 2.16 0.03 -0.69 0.00 0.00 174.62 175.89 1oqk h ARG 39 N 2.42 0.00 0.00 4.92 3.08 -2.01 -1.96 114.38 120.83 1oqk h ARG 39 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1oqk h ARG 39 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1oqk h ARG 39 CO 0.59 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.76 1oqk n ASN 40 N -2.93 0.80 -3.24 7.04 2.04 -1.26 -4.37 115.26 113.33 1oqk n ASN 40 Ca -0.03 -0.94 -0.09 0.00 -0.44 0.00 0.00 54.58 53.08 1oqk n ASN 40 Cb 0.16 0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.51 1oqk n ASN 40 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1oqk s THR 41 N -0.10 0.00 -0.15 5.53 -1.32 -0.74 -4.50 115.64 114.37 1oqk s THR 41 Ca 0.00 -1.08 -0.04 0.00 -1.21 0.00 0.00 61.69 59.36 1oqk s THR 41 Cb 0.00 -2.61 0.07 0.00 -1.51 0.00 0.00 72.50 68.45 1oqk s THR 41 CO 0.00 0.00 0.16 -0.22 -2.21 0.00 0.00 174.62 172.35 1oqk s LEU 42 N -3.05 0.03 0.11 9.08 1.98 0.00 0.87 118.68 127.71 1oqk s LEU 42 Ca 0.16 -0.14 -0.11 0.00 -2.89 0.00 0.00 54.13 51.16 1oqk s LEU 42 Cb -0.05 0.15 -0.06 0.00 0.66 0.00 0.00 46.19 46.90 1oqk s LEU 42 CO 0.11 -0.30 0.46 -0.60 -1.89 0.00 0.00 176.35 174.12 1oqk s ARG 43 N 2.26 3.82 -0.10 1.98 6.06 0.39 0.02 118.95 133.38 1oqk s ARG 43 Ca 0.04 0.27 0.04 0.00 -2.50 0.00 0.00 55.73 53.58 1oqk s ARG 43 Cb -0.14 -2.94 0.00 0.00 0.06 0.00 0.00 34.95 31.92 1oqk s ARG 43 CO -0.09 0.51 -0.23 0.42 -2.50 0.00 0.00 175.30 173.41 1oqk s ILE 44 N -1.46 2.00 0.01 4.11 1.01 0.31 -2.29 121.20 124.89 1oqk s ILE 44 Ca 0.36 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1oqk s ILE 44 Cb -0.14 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1oqk s ILE 44 CO 0.19 0.55 -0.12 -0.70 0.00 0.00 0.00 174.94 174.86 1oqk s GLU 45 N 0.39 0.86 -0.16 2.79 2.12 -0.76 0.03 118.70 123.96 1oqk s GLU 45 Ca -0.18 -0.56 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 1oqk s GLU 45 Cb -0.18 -0.83 -0.00 0.00 0.26 0.00 0.00 34.13 33.38 1oqk s GLU 45 CO 0.08 0.21 -0.14 -1.64 -0.54 0.00 0.00 175.26 173.23 1oqk s MET 46 N -0.71 3.22 0.58 4.30 -1.94 0.31 0.41 119.30 125.48 1oqk s MET 46 Ca 0.02 -0.74 0.33 0.00 -1.71 0.00 0.00 55.69 53.59 1oqk s MET 46 Cb -0.06 -2.66 1.33 0.00 2.01 0.00 0.00 34.83 35.45 1oqk s MET 46 CO 0.00 -0.02 1.60 0.38 -0.01 0.00 0.00 175.02 176.97 1oqk h ASP 47 N 7.44 0.00 0.20 3.03 2.03 -1.91 0.91 116.42 128.12 1oqk h ASP 47 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 1oqk h ASP 47 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1oqk h ASP 47 CO 0.58 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.89 1oqk n ASP 48 N -3.66 0.00 0.00 4.15 5.68 -1.26 -4.78 116.55 116.68 1oqk n ASP 48 Ca 0.24 0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1oqk n ASP 48 Cb 1.34 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oqk n GLY 49 N -0.76 1.06 3.82 6.12 0.00 0.31 -5.11 105.19 110.64 1oqk n GLY 49 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.11 2.99 -0.16 1.61 0.52 -0.87 -4.96 118.95 117.97 1oqk s ARG 50 Ca 0.00 -0.81 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 1oqk s ARG 50 Cb 0.00 -2.70 0.05 0.00 0.52 0.00 0.00 34.95 32.82 1oqk s ARG 50 CO 0.00 0.49 0.41 -1.21 0.02 0.00 0.00 175.30 175.01 1oqk s GLU 51 N -3.09 0.42 0.01 3.54 2.02 -1.26 -0.53 118.70 119.81 1oqk s GLU 51 Ca 0.31 0.71 -0.16 0.00 0.02 0.00 0.00 54.97 55.85 1oqk s GLU 51 Cb -0.10 0.07 0.03 0.00 0.10 0.00 0.00 34.13 34.22 1oqk s GLU 51 CO 0.24 -0.12 0.35 -1.50 0.02 0.00 0.00 175.26 174.25 1oqk s ILE 52 N 0.97 0.06 0.14 -1.63 2.07 0.10 -5.01 121.20 117.91 1oqk s ILE 52 Ca -0.06 -0.51 0.04 0.00 -1.41 0.00 0.00 60.65 58.71 1oqk s ILE 52 Cb -0.06 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 1oqk s ILE 52 CO -0.08 -0.28 0.17 0.28 -1.91 0.00 0.00 174.94 173.12 1oqk s THR 53 N -1.87 4.74 -0.17 4.00 -1.32 -1.26 0.11 115.64 119.87 1oqk s THR 53 Ca -0.10 -0.90 -0.12 0.00 -1.21 0.00 0.00 61.69 59.36 1oqk s THR 53 Cb -0.03 -3.40 0.05 0.00 -1.51 0.00 0.00 72.50 67.61 1oqk s THR 53 CO 0.01 -0.06 0.44 -0.69 -2.21 0.00 0.00 174.62 172.11 1oqk s VAL 54 N -1.68 -0.01 -0.16 5.08 1.01 0.10 -4.89 120.40 119.84 1oqk s VAL 54 Ca 0.32 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1oqk s VAL 54 Cb -0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 1oqk s VAL 54 CO 0.25 0.02 1.34 -2.84 0.00 0.00 0.00 175.10 173.86 1oqk s PRO 55 N 0.96 4.18 0.00 2.72 0.02 -1.26 -0.82 135.00 140.80 1oqk s PRO 55 Ca -0.06 1.70 0.23 0.00 0.02 0.00 0.00 61.00 62.89 1oqk s PRO 55 Cb -0.06 -3.82 0.09 0.00 0.02 0.00 0.00 34.50 30.73 1oqk s PRO 55 CO -0.08 -0.79 1.16 0.36 -0.33 0.00 0.00 177.00 177.32 1oqk n LYS 56 N 6.79 1.77 0.19 5.54 2.85 -1.26 -4.48 118.16 129.57 1oqk n LYS 56 Ca 0.15 -1.46 0.16 0.00 -1.05 0.00 0.00 58.31 56.10 1oqk n LYS 56 Cb 0.45 -1.45 0.60 0.00 -0.65 0.00 0.00 35.03 33.97 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 4.65 0.00 -5.51 2.58 0.00 -1.79 -2.44 103.07 100.56 1oqk h GLY 57 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1oqk h GLY 57 CO 0.00 0.00 -0.88 1.39 0.00 0.00 0.00 176.54 177.05 1oqk n ILE 58 N -3.09 -0.01 -3.78 2.60 -0.00 -1.17 -4.57 119.36 109.33 1oqk n ILE 58 Ca 0.04 -3.19 -0.13 0.00 -0.00 0.00 0.00 62.75 59.48 1oqk n ILE 58 Cb 0.71 0.52 -0.12 0.00 -0.00 0.00 0.00 39.64 40.74 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 -1.36 -0.50 0.20 -1.39 0.00 -0.92 -1.77 121.76 116.01 1oqk s ALA 59 Ca 0.32 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1oqk s ALA 59 Cb 0.34 -0.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 1oqk s ALA 59 CO -0.06 -0.12 0.94 0.54 0.00 0.00 0.00 175.76 177.06 1oqk s VAL 60 N 0.43 4.21 -0.14 0.00 0.11 -0.96 0.39 120.40 124.44 1oqk s VAL 60 Ca -0.03 2.08 -0.06 0.00 -2.93 0.00 0.00 61.98 61.04 1oqk s VAL 60 Cb -0.04 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.45 1oqk s VAL 60 CO -0.02 0.44 0.08 -0.36 -3.33 0.00 0.00 175.10 171.91 1oqk s PHE 61 N -0.80 3.37 -0.31 1.54 0.40 0.17 -3.62 117.98 118.74 1oqk s PHE 61 Ca 0.43 0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 57.03 1oqk s PHE 61 Cb -0.25 -1.97 0.12 0.00 0.51 0.00 0.00 43.02 41.43 1oqk s PHE 61 CO 0.31 0.45 0.22 -1.01 0.70 0.00 0.00 175.22 175.89 1oqk s HIS 62 N -0.42 0.07 0.28 0.36 3.76 -0.03 -1.37 115.29 117.95 1oqk s HIS 62 Ca 0.10 -0.78 0.03 0.00 -0.15 0.00 0.00 55.06 54.27 1oqk s HIS 62 Cb -0.12 -0.71 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 1oqk s HIS 62 CO 0.02 -0.87 0.44 -0.06 -0.85 0.00 0.00 174.74 173.41 1oqk s PHE 63 N 1.94 3.46 -0.01 1.40 0.40 0.15 0.13 117.98 125.45 1oqk s PHE 63 Ca 0.11 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1oqk s PHE 63 Cb -0.16 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.67 1oqk s PHE 63 CO -0.26 0.30 0.01 1.03 0.70 0.00 0.00 175.22 177.00 1oqk s ARG 64 N -4.12 0.05 -0.16 0.44 1.81 -0.52 -1.90 118.95 114.56 1oqk s ARG 64 Ca 0.37 0.06 -0.02 0.00 -1.72 0.00 0.00 55.73 54.42 1oqk s ARG 64 Cb -0.09 -0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.21 1oqk s ARG 64 CO 0.32 -0.07 -0.09 0.99 -0.68 0.00 0.00 175.30 175.76 1oqk s THR 65 N 0.51 3.23 0.55 0.02 2.01 0.21 -1.99 115.64 120.18 1oqk s THR 65 Ca -0.04 -0.58 0.36 0.00 0.31 0.00 0.00 61.69 61.74 1oqk s THR 65 Cb -0.07 -2.40 0.54 0.00 0.01 0.00 0.00 72.50 70.58 1oqk s THR 65 CO -0.01 0.49 1.79 -0.65 -0.69 0.00 0.00 174.62 175.54 1oqk h PRO 66 N 7.16 0.00 0.00 4.92 0.11 -1.92 0.70 132.00 142.96 1oqk h PRO 66 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1oqk h PRO 66 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1oqk h PRO 66 CO 0.58 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.33 1oqk h GLN 67 N 0.00 0.00 0.00 1.05 1.08 -2.01 -3.44 115.11 111.79 1oqk h GLN 67 Ca 0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 1oqk h GLN 67 Cb 2.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.67 1oqk h GLN 67 CO -0.01 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.28 1oqk n GLY 68 N -0.87 0.97 3.29 3.46 0.00 0.24 -5.13 105.19 107.15 1oqk n GLY 68 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.05 1.14 -0.09 1.61 0.41 -0.94 -4.98 118.70 115.89 1oqk s GLU 69 Ca 0.00 -1.24 0.02 0.00 -0.41 0.00 0.00 54.97 53.34 1oqk s GLU 69 Cb 0.00 -1.26 0.02 0.00 -1.78 0.00 0.00 34.13 31.11 1oqk s GLU 69 CO 0.00 0.27 -0.13 -1.17 -0.49 0.00 0.00 175.26 173.74 1oqk s LEU 70 N -2.23 1.61 -0.09 1.80 0.20 -1.26 -0.62 118.68 118.09 1oqk s LEU 70 Ca 0.09 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1oqk s LEU 70 Cb -0.08 -0.96 -0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1oqk s LEU 70 CO 0.05 0.00 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.22 1oqk s VAL 71 N 0.98 2.48 -0.03 1.68 1.01 -0.80 -5.00 120.40 120.72 1oqk s VAL 71 Ca -0.08 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1oqk s VAL 71 Cb -0.15 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1oqk s VAL 71 CO -0.01 0.56 -0.19 -1.83 0.00 0.00 0.00 175.10 173.63 1oqk s GLU 72 N 0.08 1.69 0.06 2.72 -1.05 -1.26 0.29 118.70 121.24 1oqk s GLU 72 Ca -0.09 -0.66 -0.08 0.00 -0.15 0.00 0.00 54.97 53.99 1oqk s GLU 72 Cb -0.15 -1.55 -0.00 0.00 -0.44 0.00 0.00 34.13 31.98 1oqk s GLU 72 CO 0.06 0.34 0.16 0.42 0.95 0.00 0.00 175.26 177.19 1oqk s ILE 73 N -0.23 0.13 -0.48 1.83 1.01 -0.47 -5.01 121.20 117.98 1oqk s ILE 73 Ca 0.02 -1.10 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 1oqk s ILE 73 Cb -0.09 -1.13 0.12 0.00 0.01 0.00 0.00 42.46 41.37 1oqk s ILE 73 CO 0.01 -0.61 0.35 -1.81 0.00 0.00 0.00 174.94 172.88 1oqk s ASP 74 N -2.47 5.69 0.06 3.58 1.01 -1.26 0.45 116.67 123.73 1oqk s ASP 74 Ca -0.00 -1.98 0.26 0.00 0.71 0.00 0.00 52.55 51.55 1oqk s ASP 74 Cb 0.02 -2.00 0.79 0.00 1.01 0.00 0.00 42.92 42.74 1oqk s ASP 74 CO -0.07 -0.67 1.64 0.61 0.21 0.00 0.00 175.17 176.89 1oqk n GLY 75 N 4.81 -1.45 0.31 0.21 0.00 0.16 -2.51 105.19 106.72 1oqk n GLY 75 Ca -0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.71 0.00 1.61 1.12 -1.21 -2.72 114.38 112.48 1oqk h ARG 76 Ca 0.00 0.05 -0.34 0.00 -1.11 0.00 0.00 59.98 58.57 1oqk h ARG 76 Cb 0.59 0.16 -0.06 0.00 -0.01 0.00 0.00 29.97 30.65 1oqk h ARG 76 CO 0.00 -0.42 -2.30 0.00 -3.11 0.00 0.00 179.97 174.15 1oqk n ALA 77 N -2.66 1.53 0.17 2.80 0.00 -1.26 -4.16 120.51 116.93 1oqk n ALA 77 Ca -0.10 -1.21 0.09 0.00 0.00 0.00 0.00 53.44 52.22 1oqk n ALA 77 Cb 0.32 -0.13 0.48 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.77 0.47 -4.52 0.00 7.94 -1.04 -4.68 117.00 112.41 1oqk n LEU 78 Ca -0.32 0.70 -0.40 0.00 -1.11 0.00 0.00 56.01 54.89 1oqk n LEU 78 Cb 1.09 -0.75 -0.10 0.00 0.53 0.00 0.00 43.42 44.20 1oqk n LEU 78 CO 0.37 -0.82 2.12 0.55 -1.11 0.00 0.00 177.39 178.50 1oqk n VAL 79 N -2.12 -0.03 -4.28 1.96 3.14 -1.26 -4.89 118.33 110.85 1oqk n VAL 79 Ca -0.01 -0.35 -0.34 0.00 -2.96 0.00 0.00 64.34 60.68 1oqk n VAL 79 Cb 0.05 -1.52 -0.12 0.00 -1.06 0.00 0.00 33.84 31.19 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1oqk s ALA 80 N 10.26 2.98 0.17 1.55 0.00 -1.26 -5.04 121.76 130.42 1oqk s ALA 80 Ca 1.19 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1oqk s ALA 80 Cb -0.79 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1oqk s ALA 80 CO 0.40 0.06 0.12 1.03 0.00 0.00 0.00 175.76 177.36 1oqk s ARG 81 N 0.64 2.83 0.00 0.00 0.52 -1.26 -4.74 118.95 116.94 1oqk s ARG 81 Ca -0.02 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1oqk s ARG 81 Cb -0.14 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1oqk s ARG 81 CO 0.02 0.48 0.00 -0.35 0.02 0.00 0.00 175.30 175.47 1oqk n PRO 82 N -0.35 0.56 0.30 3.54 -0.04 -1.26 -4.55 135.00 133.19 1oqk n PRO 82 Ca -0.08 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.54 1oqk n PRO 82 Cb 0.55 0.00 0.88 0.00 -0.04 0.00 0.00 33.50 34.89 1oqk n PRO 82 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1oqk h GLU 83 N 0.00 0.00 0.00 0.54 5.08 -2.07 -1.49 114.58 116.64 1oqk h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1oqk h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1oqk h GLU 83 CO 0.00 0.00 0.14 0.93 -1.00 0.00 0.00 179.01 179.08 1oqk h GLU 84 N 0.00 0.00 -0.85 2.33 4.39 -2.04 -3.47 114.58 114.95 1oqk h GLU 84 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1oqk h GLU 84 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1oqk h GLU 84 CO 0.00 0.00 -0.25 0.54 -1.16 0.00 0.00 179.01 178.14 1oqk n ARG 85 N -2.57 -0.89 0.00 2.33 1.74 -0.56 -5.15 116.66 111.56 1oqk n ARG 85 Ca -0.02 0.70 0.14 0.00 -0.77 0.00 0.00 57.85 57.90 1oqk n ARG 85 Cb 0.19 -0.92 0.47 0.00 -1.02 0.00 0.00 32.46 31.18 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22