#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 -1.45 -1.55 1.44 -1.26 -5.14 115.22 107.27 1oqk n HIS 10 Ca 0.00 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.86 1oqk n HIS 10 Cb 0.00 -0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.02 1oqk n HIS 10 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1oqk n GLU 11 N -1.50 -3.42 -0.62 -1.40 1.02 -1.26 -4.83 120.64 108.64 1oqk n GLU 11 Ca -0.00 2.78 0.06 0.00 -0.02 0.00 0.00 57.16 59.98 1oqk n GLU 11 Cb 0.00 -3.89 0.12 0.00 -0.02 0.00 0.00 31.44 27.65 1oqk n GLU 11 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1oqk n LEU 12 N -4.10 1.82 -4.82 -4.62 4.32 -1.26 -5.06 117.00 103.28 1oqk n LEU 12 Ca -0.08 -2.81 -0.36 0.00 -0.02 0.00 0.00 56.01 52.73 1oqk n LEU 12 Cb 0.66 -0.31 -0.06 0.00 -1.62 0.00 0.00 43.42 42.09 1oqk n LEU 12 CO 0.03 0.84 0.39 -0.63 -1.22 0.00 0.00 177.39 176.80 1oqk s ILE 13 N -1.95 4.61 0.00 -0.08 1.01 -1.26 -3.95 121.20 119.57 1oqk s ILE 13 Ca 0.29 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1oqk s ILE 13 Cb 0.29 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1oqk s ILE 13 CO -0.05 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1oqk n GLY 14 N 0.81 0.32 3.77 6.18 0.00 -1.26 -5.08 105.19 109.93 1oqk n GLY 14 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 3.31 0.45 0.99 0.05 -1.25 -4.68 118.68 117.54 1oqk s LEU 15 Ca 0.00 -0.77 -0.07 0.00 0.05 0.00 0.00 54.13 53.34 1oqk s LEU 15 Cb 0.00 -1.81 -0.05 0.00 -2.05 0.00 0.00 46.19 42.29 1oqk s LEU 15 CO 0.00 -0.38 0.77 -0.44 -0.55 0.00 0.00 176.35 175.75 1oqk s SER 16 N -3.91 6.35 -0.10 1.48 0.01 -0.76 -3.59 113.70 113.17 1oqk s SER 16 Ca 0.40 0.98 -0.00 0.00 1.31 0.00 0.00 55.95 58.63 1oqk s SER 16 Cb -0.02 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.97 1oqk s SER 16 CO 0.24 -0.51 -0.07 0.54 0.41 0.00 0.00 173.24 173.85 1oqk s VAL 17 N -2.60 0.93 -0.17 3.43 0.11 0.12 -1.90 120.40 120.32 1oqk s VAL 17 Ca 0.48 -0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1oqk s VAL 17 Cb -0.10 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1oqk s VAL 17 CO 0.40 0.35 -0.11 -0.13 -3.33 0.00 0.00 175.10 172.28 1oqk s ARG 18 N 1.61 3.34 0.02 1.54 0.52 -0.88 -0.28 118.95 124.81 1oqk s ARG 18 Ca 0.03 -0.68 -0.20 0.00 -0.52 0.00 0.00 55.73 54.35 1oqk s ARG 18 Cb -0.13 -2.75 -0.06 0.00 0.52 0.00 0.00 34.95 32.53 1oqk s ARG 18 CO -0.06 0.03 0.59 0.42 0.02 0.00 0.00 175.30 176.29 1oqk s ILE 19 N 0.84 4.86 -0.09 1.52 -1.09 -0.78 -0.59 121.20 125.86 1oqk s ILE 19 Ca -0.03 1.25 0.19 0.00 -2.23 0.00 0.00 60.65 59.82 1oqk s ILE 19 Cb -0.15 -3.93 -0.28 0.00 -1.58 0.00 0.00 42.46 36.52 1oqk s ILE 19 CO 0.00 0.45 0.29 0.00 -1.23 0.00 0.00 174.94 174.46 1oqk n ALA 20 N 2.45 2.25 -3.57 9.38 0.00 0.22 -3.40 120.51 127.83 1oqk n ALA 20 Ca -0.08 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 1oqk n ALA 20 Cb 0.51 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 -3.03 0.77 0.12 0.00 6.06 -0.90 -4.40 118.95 117.57 1oqk s ARG 21 Ca -0.08 0.37 -0.01 0.00 -2.50 0.00 0.00 55.73 53.50 1oqk s ARG 21 Cb 0.10 0.37 -0.04 0.00 0.06 0.00 0.00 34.95 35.44 1oqk s ARG 21 CO 0.82 -0.20 0.03 -1.12 -2.50 0.00 0.00 175.30 172.34 1oqk s SER 22 N -0.73 0.41 0.39 -2.12 0.01 -1.26 -1.49 113.70 108.91 1oqk s SER 22 Ca -0.04 -1.16 0.05 0.00 1.31 0.00 0.00 55.95 56.11 1oqk s SER 22 Cb -0.02 0.26 0.77 0.00 0.21 0.00 0.00 66.02 67.25 1oqk s SER 22 CO 0.03 -0.69 2.04 1.62 0.41 0.00 0.00 173.24 176.65 1oqk h VAL 23 N 2.91 1.13 -3.75 3.43 3.04 -1.68 -3.41 116.25 117.91 1oqk h VAL 23 Ca -0.35 -0.24 -0.68 0.00 -1.01 0.00 0.00 66.70 64.43 1oqk h VAL 23 Cb 1.19 0.40 -0.23 0.00 -2.01 0.00 0.00 31.29 30.64 1oqk h VAL 23 CO 0.61 0.12 -0.74 -1.00 -1.01 0.00 0.00 177.57 175.55 1oqk s HIS 24 N -5.58 2.80 0.31 3.17 3.76 -1.26 -5.01 115.29 113.48 1oqk s HIS 24 Ca -0.09 -0.22 0.30 0.00 -0.15 0.00 0.00 55.06 54.91 1oqk s HIS 24 Cb 0.17 -1.71 1.45 0.00 1.11 0.00 0.00 32.58 33.60 1oqk s HIS 24 CO 0.74 0.13 2.04 0.07 -0.85 0.00 0.00 174.74 176.87 1oqk h ARG 25 N 5.67 0.00 -0.01 1.40 0.11 -1.96 -1.58 114.38 118.02 1oqk h ARG 25 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1oqk h ARG 25 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1oqk h ARG 25 CO 0.53 0.10 0.00 -0.40 0.10 0.00 0.00 179.97 180.29 1oqk n ASP 26 N -3.38 0.18 0.00 0.08 5.75 -1.26 -3.65 116.55 114.27 1oqk n ASP 26 Ca -0.01 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 1oqk n ASP 26 Cb 0.27 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.81 0.00 -1.12 2.12 -5.35 -0.89 -5.06 119.36 108.25 1oqk n ILE 27 Ca 0.21 -0.10 -0.32 0.00 -0.27 0.00 0.00 62.75 62.27 1oqk n ILE 27 Cb 0.13 0.55 0.12 0.00 -1.74 0.00 0.00 39.64 38.70 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 -0.73 1.78 -1.65 6.28 -2.07 -0.65 -2.88 119.66 119.74 1oqk s GLN 28 Ca 0.00 1.49 0.00 0.00 -1.82 0.00 0.00 55.36 55.03 1oqk s GLN 28 Cb 0.00 -1.82 0.00 0.00 -1.09 0.00 0.00 33.01 30.10 1oqk s GLN 28 CO 0.00 -2.05 0.00 0.41 -1.32 0.00 0.00 175.29 172.33 1oqk n GLY 29 N -0.18 1.52 3.60 2.60 0.00 -1.22 -4.92 105.19 106.59 1oqk n GLY 29 Ca 0.11 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.41 4.38 -0.11 -0.61 -1.16 -1.14 -4.75 121.20 115.40 1oqk s ILE 30 Ca 0.00 1.20 -0.11 0.00 -0.51 0.00 0.00 60.65 61.23 1oqk s ILE 30 Cb 0.00 -4.49 -0.05 0.00 0.61 0.00 0.00 42.46 38.53 1oqk s ILE 30 CO 0.00 -0.81 0.25 -0.55 -2.81 0.00 0.00 174.94 171.03 1oqk s SER 31 N 2.19 6.50 0.00 4.50 0.15 -1.26 -1.86 113.70 123.91 1oqk s SER 31 Ca 0.44 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1oqk s SER 31 Cb -0.09 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1oqk s SER 31 CO 0.26 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.58 1oqk n GLY 32 N 2.49 1.87 3.91 9.45 0.00 0.61 -4.99 105.19 118.53 1oqk n GLY 32 Ca -0.16 -0.72 -0.20 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 0.56 2.55 0.13 1.61 1.81 -1.26 0.14 118.95 124.49 1oqk s ARG 33 Ca 0.00 -1.53 0.03 0.00 -1.72 0.00 0.00 55.73 52.51 1oqk s ARG 33 Cb 0.00 -2.43 -0.04 0.00 -0.45 0.00 0.00 34.95 32.03 1oqk s ARG 33 CO 0.00 -0.28 0.18 0.54 -0.68 0.00 0.00 175.30 175.06 1oqk s VAL 34 N -2.49 4.87 0.00 3.52 0.11 0.97 -1.92 120.40 125.46 1oqk s VAL 34 Ca 0.49 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1oqk s VAL 34 Cb -0.04 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1oqk s VAL 34 CO 0.29 -0.02 0.00 0.55 -3.33 0.00 0.00 175.10 172.59 1oqk n VAL 35 N -0.15 0.00 -3.43 2.04 3.14 -0.67 -1.96 118.33 117.29 1oqk n VAL 35 Ca -0.07 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.18 1oqk n VAL 35 Cb 0.53 -0.55 -0.02 0.00 -1.06 0.00 0.00 33.84 32.74 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 -4.99 -0.56 -0.10 6.55 -1.08 -0.98 -4.93 116.67 110.58 1oqk s ASP 36 Ca 0.00 0.02 0.01 0.00 -0.52 0.00 0.00 52.55 52.07 1oqk s ASP 36 Cb 0.00 0.59 0.02 0.00 -1.46 0.00 0.00 42.92 42.07 1oqk s ASP 36 CO 0.00 -0.95 -0.13 -1.61 0.52 0.00 0.00 175.17 173.01 1oqk s GLU 37 N -3.62 1.92 0.16 4.34 8.01 -1.26 -1.70 118.70 126.55 1oqk s GLU 37 Ca 0.00 -0.45 0.10 0.00 0.01 0.00 0.00 54.97 54.63 1oqk s GLU 37 Cb -0.01 -1.68 -0.04 0.00 -4.31 0.00 0.00 34.13 28.09 1oqk s GLU 37 CO -0.12 -0.08 -0.23 0.99 0.01 0.00 0.00 175.26 175.83 1oqk s THR 38 N 1.04 2.13 0.61 3.63 2.01 0.15 -5.01 115.64 120.21 1oqk s THR 38 Ca -0.07 -1.86 0.31 0.00 0.31 0.00 0.00 61.69 60.38 1oqk s THR 38 Cb -0.15 -1.95 0.36 0.00 0.01 0.00 0.00 72.50 70.77 1oqk s THR 38 CO -0.01 -0.09 2.07 0.03 -0.69 0.00 0.00 174.62 175.93 1oqk h ARG 39 N 3.53 0.00 0.00 4.92 -0.00 -2.00 -2.24 114.38 118.59 1oqk h ARG 39 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.01 1oqk h ARG 39 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 1oqk h ARG 39 CO 0.45 0.00 0.00 0.27 0.00 0.00 0.00 179.97 180.69 1oqk n ASN 40 N -3.53 1.22 -3.64 7.04 2.04 -1.26 -4.56 115.26 112.57 1oqk n ASN 40 Ca 0.01 -1.56 -0.10 0.00 -0.44 0.00 0.00 54.58 52.50 1oqk n ASN 40 Cb 0.36 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.58 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 -0.56 0.02 -0.19 5.53 -4.23 -0.84 -4.51 115.64 110.86 1oqk s THR 41 Ca 0.00 -0.53 -0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1oqk s THR 41 Cb 0.00 -1.41 0.07 0.00 1.34 0.00 0.00 72.50 72.49 1oqk s THR 41 CO 0.00 -0.08 0.11 -0.22 -0.54 0.00 0.00 174.62 173.89 1oqk s LEU 42 N -2.83 0.32 -0.12 4.79 1.98 0.38 0.34 118.68 123.53 1oqk s LEU 42 Ca 0.06 -0.65 -0.12 0.00 -2.89 0.00 0.00 54.13 50.53 1oqk s LEU 42 Cb -0.02 -0.20 -0.05 0.00 0.66 0.00 0.00 46.19 46.59 1oqk s LEU 42 CO -0.05 -0.36 0.26 -0.60 -1.89 0.00 0.00 176.35 173.71 1oqk s ARG 43 N 2.15 3.97 -0.25 1.98 3.52 -0.69 0.13 118.95 129.77 1oqk s ARG 43 Ca 0.03 0.07 -0.07 0.00 -0.13 0.00 0.00 55.73 55.63 1oqk s ARG 43 Cb -0.16 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1oqk s ARG 43 CO -0.12 0.48 0.06 0.42 -0.81 0.00 0.00 175.30 175.33 1oqk s ILE 44 N -0.25 4.28 -0.05 4.11 1.01 0.17 -1.67 121.20 128.81 1oqk s ILE 44 Ca 0.17 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1oqk s ILE 44 Cb -0.13 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1oqk s ILE 44 CO 0.05 0.35 -0.22 -0.70 0.00 0.00 0.00 174.94 174.42 1oqk s GLU 45 N 1.58 2.17 -0.16 2.79 2.12 -0.81 1.00 118.70 127.39 1oqk s GLU 45 Ca 0.06 -0.80 -0.09 0.00 0.36 0.00 0.00 54.97 54.51 1oqk s GLU 45 Cb -0.15 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.30 1oqk s GLU 45 CO 0.03 0.36 0.15 -1.64 -0.54 0.00 0.00 175.26 173.62 1oqk s MET 46 N -0.17 3.87 0.57 4.30 -1.94 0.12 -0.02 119.30 126.01 1oqk s MET 46 Ca -0.01 -0.15 0.37 0.00 -1.71 0.00 0.00 55.69 54.19 1oqk s MET 46 Cb -0.12 -3.32 1.48 0.00 2.01 0.00 0.00 34.83 34.88 1oqk s MET 46 CO 0.02 0.51 1.68 -0.44 -0.01 0.00 0.00 175.02 176.78 1oqk h ASP 47 N 5.91 0.00 0.24 3.03 5.19 -1.90 1.12 116.42 130.00 1oqk h ASP 47 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1oqk h ASP 47 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1oqk h ASP 47 CO 0.68 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 177.27 1oqk n ASP 48 N -3.89 0.36 0.00 6.45 8.00 -1.26 -4.79 116.55 121.42 1oqk n ASP 48 Ca 0.27 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1oqk n ASP 48 Cb 1.40 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oqk n GLY 49 N -0.87 1.40 3.80 0.44 0.00 0.38 -5.11 105.19 105.24 1oqk n GLY 49 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.97 0.01 1.61 0.52 -0.91 -4.93 118.95 117.88 1oqk s ARG 50 Ca 0.00 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 1oqk s ARG 50 Cb 0.00 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 1oqk s ARG 50 CO 0.00 0.54 -0.05 -1.83 0.02 0.00 0.00 175.30 173.98 1oqk s GLU 51 N -2.64 0.38 -0.27 3.54 1.03 -1.26 0.11 118.70 119.58 1oqk s GLU 51 Ca 0.30 -0.40 -0.07 0.00 0.03 0.00 0.00 54.97 54.84 1oqk s GLU 51 Cb -0.12 -0.25 0.14 0.00 -0.80 0.00 0.00 34.13 33.10 1oqk s GLU 51 CO 0.23 0.06 0.56 -1.50 -1.33 0.00 0.00 175.26 173.28 1oqk s ILE 52 N -0.68 -0.89 0.43 1.83 2.07 0.28 -4.98 121.20 119.27 1oqk s ILE 52 Ca -0.04 0.03 -0.23 0.00 -1.41 0.00 0.00 60.65 59.00 1oqk s ILE 52 Cb -0.05 -0.91 -0.09 0.00 0.13 0.00 0.00 42.46 41.54 1oqk s ILE 52 CO -0.00 0.00 1.05 0.28 -1.91 0.00 0.00 174.94 174.36 1oqk s THR 53 N 2.80 3.72 -0.17 4.00 -1.32 -1.26 0.44 115.64 123.84 1oqk s THR 53 Ca 0.03 1.23 -0.14 0.00 -1.21 0.00 0.00 61.69 61.60 1oqk s THR 53 Cb -0.13 -3.59 0.05 0.00 -1.51 0.00 0.00 72.50 67.32 1oqk s THR 53 CO -0.18 -0.08 0.45 -0.69 -2.21 0.00 0.00 174.62 171.91 1oqk s VAL 54 N -1.77 -0.01 -0.46 5.08 1.01 0.34 -4.86 120.40 119.75 1oqk s VAL 54 Ca 0.61 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 1oqk s VAL 54 Cb -0.20 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1oqk s VAL 54 CO 0.25 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.29 1oqk s PRO 55 N 0.61 3.72 0.00 2.72 0.05 -1.26 0.14 135.00 140.99 1oqk s PRO 55 Ca -0.03 0.54 0.22 0.00 0.05 0.00 0.00 61.00 61.78 1oqk s PRO 55 Cb -0.05 -3.89 0.10 0.00 0.05 0.00 0.00 34.50 30.71 1oqk s PRO 55 CO -0.04 -1.30 1.16 0.36 0.05 0.00 0.00 177.00 177.23 1oqk n LYS 56 N 7.61 1.82 0.08 4.56 2.85 -1.26 -4.46 118.16 129.36 1oqk n LYS 56 Ca 0.11 -1.50 0.20 0.00 -1.05 0.00 0.00 58.31 56.06 1oqk n LYS 56 Cb 0.49 -1.44 0.61 0.00 -0.65 0.00 0.00 35.03 34.04 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 -5.61 2.58 0.00 -1.79 -1.80 103.07 101.01 1oqk h GLY 57 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1oqk h GLY 57 CO 0.00 0.00 -1.00 1.39 0.00 0.00 0.00 176.54 176.93 1oqk n ILE 58 N -3.32 0.03 -3.61 2.60 -0.00 -0.78 -4.28 119.36 109.99 1oqk n ILE 58 Ca 0.09 -3.58 -0.16 0.00 -0.00 0.00 0.00 62.75 59.11 1oqk n ILE 58 Cb 0.84 0.30 -0.14 0.00 -0.00 0.00 0.00 39.64 40.65 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 -1.82 -0.36 0.21 -1.39 0.00 -0.68 -2.08 121.76 115.65 1oqk s ALA 59 Ca 0.34 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1oqk s ALA 59 Cb 0.35 -1.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.34 1oqk s ALA 59 CO -0.06 -0.79 1.10 0.54 0.00 0.00 0.00 175.76 176.55 1oqk s VAL 60 N 2.36 3.74 0.14 0.00 0.11 -0.55 -0.28 120.40 125.92 1oqk s VAL 60 Ca 0.04 1.58 -0.17 0.00 -2.93 0.00 0.00 61.98 60.50 1oqk s VAL 60 Cb -0.13 -4.01 0.04 0.00 -1.53 0.00 0.00 36.38 30.75 1oqk s VAL 60 CO -0.09 0.31 0.45 0.72 -3.33 0.00 0.00 175.10 173.16 1oqk s PHE 61 N -0.55 -0.23 -0.10 1.54 -0.12 -0.90 0.72 117.98 118.33 1oqk s PHE 61 Ca 0.48 -0.08 0.03 0.00 -0.05 0.00 0.00 56.93 57.31 1oqk s PHE 61 Cb -0.30 0.32 0.01 0.00 -0.63 0.00 0.00 43.02 42.42 1oqk s PHE 61 CO 0.37 -0.76 -0.19 -1.01 -0.05 0.00 0.00 175.22 173.58 1oqk s HIS 62 N -3.81 2.21 -0.18 3.49 3.76 0.24 -1.71 115.29 119.29 1oqk s HIS 62 Ca 0.04 -0.97 -0.17 0.00 -0.15 0.00 0.00 55.06 53.81 1oqk s HIS 62 Cb 0.01 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1oqk s HIS 62 CO -0.10 -0.44 0.46 -0.06 -0.85 0.00 0.00 174.74 173.75 1oqk s PHE 63 N 0.66 3.40 -0.29 1.40 0.40 -0.20 -2.08 117.98 121.27 1oqk s PHE 63 Ca -0.13 0.73 -0.09 0.00 -0.60 0.00 0.00 56.93 56.85 1oqk s PHE 63 Cb -0.16 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 1oqk s PHE 63 CO 0.03 -0.01 0.12 1.03 0.70 0.00 0.00 175.22 177.09 1oqk s ARG 64 N 1.30 3.44 0.17 0.44 1.81 -0.80 -0.00 118.95 125.31 1oqk s ARG 64 Ca 0.22 -0.64 -0.27 0.00 -1.72 0.00 0.00 55.73 53.33 1oqk s ARG 64 Cb -0.15 -3.47 -0.08 0.00 -0.45 0.00 0.00 34.95 30.81 1oqk s ARG 64 CO 0.09 -0.33 0.84 0.99 -0.68 0.00 0.00 175.30 176.20 1oqk s THR 65 N 1.61 4.32 0.36 0.02 2.01 -0.74 -1.84 115.64 121.38 1oqk s THR 65 Ca 0.05 1.84 0.16 0.00 0.31 0.00 0.00 61.69 64.05 1oqk s THR 65 Cb -0.16 -4.21 0.36 0.00 0.01 0.00 0.00 72.50 68.50 1oqk s THR 65 CO 0.05 0.49 1.71 1.55 -0.69 0.00 0.00 174.62 177.73 1oqk h PRO 66 N 4.47 0.39 0.00 4.92 0.13 -1.91 0.91 132.00 140.91 1oqk h PRO 66 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1oqk h PRO 66 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1oqk h PRO 66 CO 0.67 0.26 0.00 1.96 -0.23 0.00 0.00 178.00 180.66 1oqk h GLN 67 N 0.40 0.00 0.00 0.86 1.08 -1.98 -3.45 115.11 112.02 1oqk h GLN 67 Ca 0.67 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1oqk h GLN 67 Cb 1.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 1oqk h GLN 67 CO -0.45 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 177.84 1oqk n GLY 68 N -0.98 0.65 3.60 3.46 0.00 0.31 -5.13 105.19 107.09 1oqk n GLY 68 Ca -0.01 0.00 -0.26 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 0.70 2.15 -0.25 1.61 0.41 -0.96 -4.92 118.70 117.44 1oqk s GLU 69 Ca 0.00 -1.31 0.02 0.00 -0.41 0.00 0.00 54.97 53.27 1oqk s GLU 69 Cb 0.00 -2.17 0.06 0.00 -1.78 0.00 0.00 34.13 30.25 1oqk s GLU 69 CO 0.00 0.41 -0.06 -1.17 -0.49 0.00 0.00 175.26 173.96 1oqk s LEU 70 N -3.09 2.96 0.19 1.80 1.98 -1.26 -1.79 118.68 119.47 1oqk s LEU 70 Ca 0.27 -1.32 0.07 0.00 -2.89 0.00 0.00 54.13 50.26 1oqk s LEU 70 Cb -0.08 -1.31 -0.04 0.00 0.66 0.00 0.00 46.19 45.42 1oqk s LEU 70 CO 0.17 -0.24 0.09 -0.69 -1.89 0.00 0.00 176.35 173.79 1oqk s VAL 71 N 1.28 4.15 -0.03 1.68 1.01 1.00 -4.96 120.40 124.53 1oqk s VAL 71 Ca -0.05 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.63 1oqk s VAL 71 Cb -0.19 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1oqk s VAL 71 CO -0.07 -0.18 -0.09 -0.70 0.00 0.00 0.00 175.10 174.07 1oqk s GLU 72 N -3.24 0.96 -0.17 2.72 2.12 -1.26 -1.03 118.70 118.79 1oqk s GLU 72 Ca 0.30 -0.29 -0.05 0.00 0.36 0.00 0.00 54.97 55.29 1oqk s GLU 72 Cb -0.09 -0.89 0.08 0.00 0.26 0.00 0.00 34.13 33.49 1oqk s GLU 72 CO 0.22 0.10 0.33 0.42 -0.54 0.00 0.00 175.26 175.78 1oqk s ILE 73 N 0.25 -0.51 -0.72 -3.70 1.01 -0.69 -4.98 121.20 111.85 1oqk s ILE 73 Ca -0.04 0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.52 1oqk s ILE 73 Cb -0.09 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.83 1oqk s ILE 73 CO 0.01 0.05 1.37 1.51 0.00 0.00 0.00 174.94 177.88 1oqk s ASP 74 N 2.50 6.03 0.18 3.58 1.47 -1.26 -2.13 116.67 127.04 1oqk s ASP 74 Ca 0.02 -0.34 0.16 0.00 1.18 0.00 0.00 52.55 53.56 1oqk s ASP 74 Cb -0.13 -2.56 0.76 0.00 -0.34 0.00 0.00 42.92 40.65 1oqk s ASP 74 CO -0.11 -1.92 1.48 0.61 0.68 0.00 0.00 175.17 175.91 1oqk n GLY 75 N 5.44 -0.88 0.10 2.12 0.00 0.62 0.47 105.19 113.05 1oqk n GLY 75 Ca 0.06 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.96 0.68 0.00 1.61 0.00 -1.25 -1.86 116.66 113.88 1oqk n ARG 76 Ca 0.00 0.04 0.11 0.00 -0.00 0.00 0.00 57.85 58.00 1oqk n ARG 76 Cb 0.09 -1.56 0.06 0.00 0.00 0.00 0.00 32.46 31.04 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 -2.72 2.84 -1.93 5.13 0.00 -0.79 -4.38 120.51 118.66 1oqk n ALA 77 Ca -0.31 -0.65 -0.26 0.00 0.00 0.00 0.00 53.44 52.22 1oqk n ALA 77 Cb 1.14 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 0.77 5.38 -4.55 0.00 -0.00 0.17 -4.99 117.00 113.77 1oqk n LEU 78 Ca 0.11 -4.70 -0.41 0.00 -0.00 0.00 0.00 56.01 51.02 1oqk n LEU 78 Cb 0.51 -0.45 -0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1oqk n LEU 78 CO 0.18 2.01 1.17 -0.69 -0.00 0.00 0.00 177.39 180.07 1oqk s VAL 79 N -4.67 3.75 -0.19 1.96 1.01 -1.26 -4.92 120.40 116.07 1oqk s VAL 79 Ca 0.53 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.94 1oqk s VAL 79 Cb 0.43 -4.86 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1oqk s VAL 79 CO 0.02 -1.76 -0.02 0.00 0.00 0.00 0.00 175.10 173.34 1oqk s ALA 80 N 5.74 2.98 0.00 5.51 0.00 -1.26 -5.11 121.76 129.62 1oqk s ALA 80 Ca 0.37 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1oqk s ALA 80 Cb -0.08 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 1oqk s ALA 80 CO 0.17 -0.06 0.38 1.03 0.00 0.00 0.00 175.76 177.28 1oqk s ARG 81 N 0.85 3.85 0.00 0.00 3.00 -1.26 -4.59 118.95 120.79 1oqk s ARG 81 Ca -0.00 0.33 0.00 0.00 0.00 0.00 0.00 55.73 56.05 1oqk s ARG 81 Cb -0.14 -3.18 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1oqk s ARG 81 CO 0.02 0.68 0.00 -0.35 0.00 0.00 0.00 175.30 175.65 1oqk n PRO 82 N 1.69 0.66 0.00 3.54 -0.04 -1.26 -4.78 135.00 134.81 1oqk n PRO 82 Ca -0.14 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1oqk n PRO 82 Cb 0.53 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.66 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 -0.54 1.19 0.09 0.54 4.71 -1.26 -3.86 120.64 121.50 1oqk n GLU 83 Ca 0.00 -0.46 -0.23 0.00 -0.01 0.00 0.00 57.16 56.46 1oqk n GLU 83 Cb 0.00 -1.49 -0.15 0.00 -1.01 0.00 0.00 31.44 28.79 1oqk n GLU 83 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1oqk h GLU 84 N 1.13 0.42 -3.16 3.49 4.11 -2.04 -3.42 114.58 115.11 1oqk h GLU 84 Ca 0.00 -0.71 -0.59 0.00 0.07 0.00 0.00 59.36 58.12 1oqk h GLU 84 Cb 0.31 0.27 -0.40 0.00 0.50 0.00 0.00 28.75 29.42 1oqk h GLU 84 CO 0.00 1.34 -0.76 0.50 0.07 0.00 0.00 179.01 180.16 1oqk s ARG 85 N -2.53 0.91 0.00 1.06 6.06 -1.25 -5.24 118.95 117.95 1oqk s ARG 85 Ca -0.13 -1.48 0.18 0.00 -2.50 0.00 0.00 55.73 51.80 1oqk s ARG 85 Cb 0.03 -2.01 0.14 0.00 0.06 0.00 0.00 34.95 33.18 1oqk s ARG 85 CO 0.88 -1.09 1.06 -0.89 -2.50 0.00 0.00 175.30 172.76