#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqk h ILE 2 N 0.00 0.62 0.00 2.02 2.10 -2.04 -0.86 117.51 119.36 1dqk h ILE 2 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1dqk h ILE 2 Cb 0.00 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1dqk h ILE 2 CO 0.00 0.00 0.11 0.77 -1.08 0.00 0.00 178.15 177.95 1dqk h SER 3 N 0.00 0.00 0.65 2.19 4.64 -2.05 0.22 113.55 119.21 1dqk h SER 3 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1dqk h SER 3 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1dqk h SER 3 CO -0.00 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 1dqk n GLU 4 N -2.85 0.22 0.00 4.77 0.28 -0.33 -2.60 120.64 120.13 1dqk n GLU 4 Ca -0.02 0.05 0.05 0.00 -0.16 0.00 0.00 57.16 57.08 1dqk n GLU 4 Cb 0.17 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.57 1dqk n GLU 4 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1dqk n THR 5 N -1.38 0.00 -3.72 3.84 -2.24 0.77 -4.96 114.28 106.59 1dqk n THR 5 Ca 0.10 -0.47 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 1dqk n THR 5 Cb 0.25 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 1dqk n THR 5 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dqk s ILE 6 N -1.06 5.21 0.19 2.28 1.01 -1.07 -3.87 121.20 123.89 1dqk s ILE 6 Ca 0.11 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.94 1dqk s ILE 6 Cb 0.09 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1dqk s ILE 6 CO 0.17 0.37 0.22 -0.13 0.00 0.00 0.00 174.94 175.57 1dqk s ARG 7 N 0.96 3.13 0.29 2.79 0.52 -0.51 -4.95 118.95 121.18 1dqk s ARG 7 Ca 0.07 -0.81 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1dqk s ARG 7 Cb -0.13 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1dqk s ARG 7 CO 0.03 0.47 0.32 -1.54 0.02 0.00 0.00 175.30 174.61 1dqk s SER 8 N -3.38 0.82 0.00 0.23 1.04 -1.26 -1.28 113.70 109.87 1dqk s SER 8 Ca 0.33 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1dqk s SER 8 Cb -0.10 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1dqk s SER 8 CO 0.26 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1dqk n GLY 9 N -0.48 -1.73 3.73 7.32 0.00 -1.26 -5.04 105.19 107.74 1dqk n GLY 9 Ca 0.03 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1dqk n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1dqk s ASP 10 N -1.32 7.40 0.00 1.61 1.47 -1.26 -4.91 116.67 119.66 1dqk s ASP 10 Ca 0.00 1.68 0.19 0.00 1.18 0.00 0.00 52.55 55.59 1dqk s ASP 10 Cb 0.00 -2.55 1.01 0.00 -0.34 0.00 0.00 42.92 41.04 1dqk s ASP 10 CO 0.00 -0.04 1.55 -2.67 0.68 0.00 0.00 175.17 174.69 1dqk n TRP 11 N 2.80 0.00 1.40 2.11 4.27 -1.26 -2.24 117.44 124.53 1dqk n TRP 11 Ca 0.01 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.76 1dqk n TRP 11 Cb 0.50 -0.19 0.56 0.00 -1.36 0.00 0.00 31.31 30.82 1dqk n TRP 11 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1dqk n LYS 12 N -1.19 0.84 0.00 -2.67 2.85 -1.26 -4.34 118.16 112.39 1dqk n LYS 12 Ca 0.11 -0.36 0.00 0.00 -1.05 0.00 0.00 58.31 57.01 1dqk n LYS 12 Cb 0.12 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 1dqk n LYS 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1dqk n GLY 13 N 1.27 0.00 3.34 2.58 0.00 -1.01 -4.99 105.19 106.38 1dqk n GLY 13 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1dqk n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dqk s GLU 14 N -1.80 3.00 0.00 1.61 2.56 -0.95 -4.92 118.70 118.20 1dqk s GLU 14 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 54.97 53.42 1dqk s GLU 14 Cb 0.00 -4.25 0.00 0.00 2.00 0.00 0.00 34.13 31.88 1dqk s GLU 14 CO 0.00 -1.26 0.05 0.36 -0.56 0.00 0.00 175.26 173.84 1dqk n LYS 15 N 5.37 0.00 -0.04 4.30 2.85 -1.26 -2.61 118.16 126.77 1dqk n LYS 15 Ca -0.13 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.10 1dqk n LYS 15 Cb 0.41 -1.05 -0.01 0.00 -0.65 0.00 0.00 35.03 33.73 1dqk n LYS 15 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1dqk n HIS 16 N -0.53 0.13 -0.18 5.58 8.25 -1.26 -2.35 115.22 124.85 1dqk n HIS 16 Ca 0.00 0.05 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 1dqk n HIS 16 Cb 0.00 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 30.80 1dqk n HIS 16 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1dqk n VAL 17 N -3.36 0.00 -2.41 1.59 0.31 -1.07 -4.25 118.33 109.14 1dqk n VAL 17 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 1dqk n VAL 17 Cb 0.20 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.07 1dqk n VAL 17 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1dqk s PRO 18 N 0.15 4.44 -0.25 5.55 0.04 -1.26 -4.41 135.00 139.27 1dqk s PRO 18 Ca 0.11 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1dqk s PRO 18 Cb -0.15 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 1dqk s PRO 18 CO 0.08 -0.23 0.17 0.08 0.04 0.00 0.00 177.00 177.14 1dqk s VAL 19 N 0.86 5.34 -0.19 -0.36 1.01 0.14 -4.64 120.40 122.55 1dqk s VAL 19 Ca 0.58 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 1dqk s VAL 19 Cb -0.30 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1dqk s VAL 19 CO 0.30 0.32 0.06 -0.63 0.00 0.00 0.00 175.10 175.15 1dqk s ILE 20 N 1.24 4.67 0.02 2.22 1.01 -1.26 -1.99 121.20 127.12 1dqk s ILE 20 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1dqk s ILE 20 Cb -0.14 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1dqk s ILE 20 CO 0.06 0.44 -0.04 -1.61 0.00 0.00 0.00 174.94 173.79 1dqk s GLU 21 N 0.58 0.33 0.11 2.79 2.02 0.00 -4.99 118.70 119.53 1dqk s GLU 21 Ca 0.03 -0.44 -0.08 0.00 0.02 0.00 0.00 54.97 54.50 1dqk s GLU 21 Cb -0.13 -0.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.96 1dqk s GLU 21 CO 0.01 0.02 0.19 1.52 0.02 0.00 0.00 175.26 177.03 1dqk s TYR 22 N -0.87 0.25 -0.10 1.61 -0.85 -1.26 0.25 117.35 116.38 1dqk s TYR 22 Ca -0.07 -0.67 -0.02 0.00 -0.52 0.00 0.00 57.07 55.78 1dqk s TYR 22 Cb -0.06 -0.09 0.04 0.00 0.38 0.00 0.00 41.96 42.22 1dqk s TYR 22 CO -0.00 -0.57 0.04 -2.00 -1.52 0.00 0.00 175.55 171.49 1dqk s GLU 23 N -3.90 0.35 -0.12 -3.49 2.12 -0.42 -4.99 118.70 108.25 1dqk s GLU 23 Ca 0.09 0.05 -0.20 0.00 0.36 0.00 0.00 54.97 55.27 1dqk s GLU 23 Cb 0.05 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 1dqk s GLU 23 CO -0.08 -0.43 0.54 1.03 -0.54 0.00 0.00 175.26 175.78 1dqk s ARG 24 N 2.03 4.33 -0.50 4.30 0.52 -1.26 -1.56 118.95 126.81 1dqk s ARG 24 Ca 0.03 0.55 0.07 0.00 -0.52 0.00 0.00 55.73 55.86 1dqk s ARG 24 Cb -0.14 -3.47 0.24 0.00 0.52 0.00 0.00 34.95 32.10 1dqk s ARG 24 CO -0.06 0.07 0.58 0.39 0.02 0.00 0.00 175.30 176.30 1dqk n GLU 25 N 3.94 1.38 0.00 3.54 1.02 0.14 -5.01 120.64 125.66 1dqk n GLU 25 Ca -0.05 -3.82 0.00 0.00 -0.02 0.00 0.00 57.16 53.27 1dqk n GLU 25 Cb 0.51 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1dqk n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dqk n GLY 26 N 1.39 1.85 0.02 0.62 0.00 -1.26 -2.97 105.19 104.84 1dqk n GLY 26 Ca 0.25 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1dqk n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dqk n GLU 27 N 6.66 0.08 -3.54 1.61 0.28 -1.26 -4.84 120.64 119.63 1dqk n GLU 27 Ca 0.00 0.02 -0.36 0.00 -0.16 0.00 0.00 57.16 56.66 1dqk n GLU 27 Cb 0.00 -1.55 -0.07 0.00 1.43 0.00 0.00 31.44 31.25 1dqk n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dqk s LEU 28 N -3.32 4.23 -0.23 -1.84 1.02 -1.16 -0.61 118.68 116.76 1dqk s LEU 28 Ca 0.10 0.48 0.02 0.00 0.02 0.00 0.00 54.13 54.75 1dqk s LEU 28 Cb 0.17 -2.36 0.05 0.00 0.02 0.00 0.00 46.19 44.06 1dqk s LEU 28 CO 0.69 0.09 -0.12 -0.69 0.02 0.00 0.00 176.35 176.33 1dqk s VAL 29 N 0.55 2.03 -0.33 -1.59 1.01 0.36 0.26 120.40 122.71 1dqk s VAL 29 Ca 0.16 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 1dqk s VAL 29 Cb -0.13 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1dqk s VAL 29 CO 0.04 0.10 0.35 -0.54 0.00 0.00 0.00 175.10 175.05 1dqk s LYS 30 N 1.20 3.66 -0.10 2.72 1.02 -0.60 -0.96 119.74 126.68 1dqk s LYS 30 Ca -0.05 -0.34 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 1dqk s LYS 30 Cb -0.18 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1dqk s LYS 30 CO -0.07 -0.46 -0.05 0.08 -0.92 0.00 0.00 175.35 173.93 1dqk s VAL 31 N 2.00 3.81 -0.11 3.17 1.01 0.88 -1.30 120.40 129.86 1dqk s VAL 31 Ca 0.12 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1dqk s VAL 31 Cb -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1dqk s VAL 31 CO 0.11 0.56 -0.22 -0.75 0.00 0.00 0.00 175.10 174.80 1dqk s LYS 32 N -0.39 2.91 -0.03 2.72 2.20 0.14 -0.36 119.74 126.92 1dqk s LYS 32 Ca 0.06 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1dqk s LYS 32 Cb -0.12 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1dqk s LYS 32 CO 0.02 0.09 -0.12 0.08 -0.36 0.00 0.00 175.35 175.06 1dqk s VAL 33 N 0.55 1.03 -0.01 4.02 1.01 0.61 -0.82 120.40 126.79 1dqk s VAL 33 Ca -0.14 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1dqk s VAL 33 Cb -0.17 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.35 1dqk s VAL 33 CO 0.04 0.31 0.43 0.00 0.00 0.00 0.00 175.10 175.89 1dqk s GLN 34 N 0.15 0.84 -0.15 2.72 -2.07 -0.84 0.06 119.66 120.38 1dqk s GLN 34 Ca -0.04 -0.13 -0.02 0.00 -1.82 0.00 0.00 55.36 53.35 1dqk s GLN 34 Cb -0.10 0.38 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1dqk s GLN 34 CO 0.01 -0.26 -0.08 0.08 -1.32 0.00 0.00 175.29 173.73 1dqk s VAL 35 N -1.62 3.51 0.00 3.63 1.01 -1.07 0.23 120.40 126.09 1dqk s VAL 35 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1dqk s VAL 35 Cb -0.03 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1dqk s VAL 35 CO 0.04 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1dqk n GLY 36 N 3.62 0.96 0.17 4.51 0.00 -0.99 -4.52 105.19 108.95 1dqk n GLY 36 Ca -0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1dqk n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dqk h LYS 37 N 0.00 0.31 0.00 1.61 3.64 -1.84 -3.31 116.57 116.98 1dqk h LYS 37 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1dqk h LYS 37 Cb 0.34 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1dqk h LYS 37 CO 0.00 0.85 0.00 0.39 -2.27 0.00 0.00 179.45 178.42 1dqk n GLU 38 N -3.86 0.00 -3.69 1.90 -0.58 -1.26 -4.85 120.64 108.29 1dqk n GLU 38 Ca -0.03 0.13 -0.38 0.00 -0.42 0.00 0.00 57.16 56.46 1dqk n GLU 38 Cb 0.65 -0.53 -0.12 0.00 -0.57 0.00 0.00 31.44 30.86 1dqk n GLU 38 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1dqk s ILE 39 N -0.37 4.47 0.33 -3.67 1.10 -1.26 -5.07 121.20 116.73 1dqk s ILE 39 Ca 0.00 -0.37 -0.27 0.00 -0.51 0.00 0.00 60.65 59.50 1dqk s ILE 39 Cb 0.00 -3.23 -0.13 0.00 0.15 0.00 0.00 42.46 39.25 1dqk s ILE 39 CO 0.00 0.15 1.08 -2.65 -2.11 0.00 0.00 174.94 171.41 1dqk n PRO 40 N 4.96 1.56 -3.15 3.50 -0.02 -1.25 -4.50 135.00 136.10 1dqk n PRO 40 Ca -0.15 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 1dqk n PRO 40 Cb 0.50 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1dqk n PRO 40 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1dqk s HIS 41 N -1.11 3.72 0.71 6.00 2.46 -1.26 -4.99 115.29 120.83 1dqk s HIS 41 Ca 0.58 1.36 -0.16 0.00 0.47 0.00 0.00 55.06 57.32 1dqk s HIS 41 Cb -0.64 -2.59 0.03 0.00 -0.13 0.00 0.00 32.58 29.25 1dqk s HIS 41 CO 0.60 0.43 1.25 -2.14 -2.47 0.00 0.00 174.74 172.41 1dqk s PRO 42 N -1.65 2.19 -0.41 2.88 0.02 -1.26 -4.97 135.00 131.79 1dqk s PRO 42 Ca 0.38 1.90 0.05 0.00 0.02 0.00 0.00 61.00 63.36 1dqk s PRO 42 Cb -0.18 -1.82 0.19 0.00 0.02 0.00 0.00 34.50 32.71 1dqk s PRO 42 CO 0.21 -1.83 0.43 -1.71 -0.33 0.00 0.00 177.00 173.77 1dqk n ASN 43 N -2.50 -0.56 -4.59 2.53 2.85 -1.22 -4.33 115.26 107.44 1dqk n ASN 43 Ca 0.15 -2.51 -0.27 0.00 -0.11 0.00 0.00 54.58 51.83 1dqk n ASN 43 Cb 0.49 -0.37 -0.11 0.00 1.24 0.00 0.00 39.78 41.03 1dqk n ASN 43 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1dqk s THR 44 N -0.21 1.88 0.42 -0.44 -4.23 -0.04 -4.85 115.64 108.17 1dqk s THR 44 Ca 0.33 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1dqk s THR 44 Cb 0.08 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.25 1dqk s THR 44 CO -0.17 -0.01 2.03 0.74 -0.54 0.00 0.00 174.62 176.67 1dqk h THR 45 N 1.83 1.02 0.00 3.99 2.02 -1.78 -2.68 112.91 117.31 1dqk h THR 45 Ca -0.43 -0.17 -0.18 0.00 0.77 0.00 0.00 66.41 66.39 1dqk h THR 45 Cb 1.24 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1dqk h THR 45 CO 0.79 0.09 -1.23 -0.33 0.37 0.00 0.00 175.52 175.21 1dqk h GLU 46 N 0.50 0.00 -3.05 6.66 3.07 -1.95 -3.45 114.58 116.34 1dqk h GLU 46 Ca 0.20 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.65 1dqk h GLU 46 Cb 0.17 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.69 1dqk h GLU 46 CO -0.05 0.45 -0.73 -1.58 -1.40 0.00 0.00 179.01 175.70 1dqk s HIS 47 N -2.85 0.08 0.10 4.33 5.04 -1.01 -4.84 115.29 116.14 1dqk s HIS 47 Ca -0.01 -0.05 -0.25 0.00 -1.54 0.00 0.00 55.06 53.20 1dqk s HIS 47 Cb 0.08 -0.57 0.08 0.00 0.04 0.00 0.00 32.58 32.21 1dqk s HIS 47 CO 0.80 -0.43 0.71 -3.38 -2.34 0.00 0.00 174.74 170.10 1dqk s HIS 48 N 2.18 -0.47 -0.13 3.88 -3.43 -1.26 -0.86 115.29 115.20 1dqk s HIS 48 Ca 0.03 0.29 -0.26 0.00 -0.80 0.00 0.00 55.06 54.32 1dqk s HIS 48 Cb -0.15 0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 1dqk s HIS 48 CO -0.08 -0.73 0.85 0.42 -2.00 0.00 0.00 174.74 173.20 1dqk s ILE 49 N -3.49 4.89 0.01 -5.38 -1.09 -1.26 -1.69 121.20 113.19 1dqk s ILE 49 Ca 0.02 1.69 -0.13 0.00 -2.23 0.00 0.00 60.65 60.00 1dqk s ILE 49 Cb -0.01 -4.16 -0.34 0.00 -1.58 0.00 0.00 42.46 36.37 1dqk s ILE 49 CO -0.11 0.07 0.91 0.03 -1.23 0.00 0.00 174.94 174.60 1dqk h ARG 50 N 7.16 0.48 -2.19 2.79 2.47 -1.21 -3.42 114.38 120.46 1dqk h ARG 50 Ca -0.32 -0.82 0.20 0.00 -1.26 0.00 0.00 59.98 57.78 1dqk h ARG 50 Cb 1.15 0.31 -0.09 0.00 -1.65 0.00 0.00 29.97 29.69 1dqk h ARG 50 CO 0.82 1.39 0.54 1.52 0.56 0.00 0.00 179.97 184.80 1dqk s TYR 51 N -2.60 -0.12 -0.02 3.04 -0.85 -1.24 -0.82 117.35 114.73 1dqk s TYR 51 Ca -0.11 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 1dqk s TYR 51 Cb 0.05 0.62 0.02 0.00 0.38 0.00 0.00 41.96 43.03 1dqk s TYR 51 CO 0.92 -0.73 -0.00 0.42 -1.52 0.00 0.00 175.55 174.63 1dqk s ILE 52 N -3.14 0.16 0.07 -3.49 1.01 -0.55 -2.54 121.20 112.72 1dqk s ILE 52 Ca 0.13 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.93 1dqk s ILE 52 Cb -0.00 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 1dqk s ILE 52 CO 0.01 0.13 -0.19 -1.61 0.00 0.00 0.00 174.94 173.28 1dqk s GLU 53 N 0.88 1.94 -0.07 2.79 2.02 0.59 -1.28 118.70 125.57 1dqk s GLU 53 Ca -0.09 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 53.89 1dqk s GLU 53 Cb -0.12 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.96 1dqk s GLU 53 CO -0.02 0.52 -0.24 -1.17 0.02 0.00 0.00 175.26 174.37 1dqk s LEU 54 N -1.69 2.05 0.20 1.80 2.96 -0.55 -1.30 118.68 122.15 1dqk s LEU 54 Ca 0.16 -0.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1dqk s LEU 54 Cb -0.10 -1.33 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 1dqk s LEU 54 CO 0.07 0.20 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.82 1dqk s TYR 55 N 0.03 1.87 -0.09 5.38 1.51 0.30 -0.08 117.35 126.27 1dqk s TYR 55 Ca -0.09 -0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 55.46 1dqk s TYR 55 Cb -0.15 -0.88 0.05 0.00 -0.11 0.00 0.00 41.96 40.86 1dqk s TYR 55 CO 0.05 0.41 0.12 0.12 -1.11 0.00 0.00 175.55 175.15 1dqk s PHE 56 N -2.48 -0.07 -0.42 2.71 5.36 0.52 -1.27 117.98 122.33 1dqk s PHE 56 Ca 0.21 0.37 -0.08 0.00 -0.96 0.00 0.00 56.93 56.47 1dqk s PHE 56 Cb -0.04 -0.38 0.08 0.00 -0.34 0.00 0.00 43.02 42.34 1dqk s PHE 56 CO 0.08 -0.29 0.25 -1.17 -1.46 0.00 0.00 175.22 172.63 1dqk s LEU 57 N 2.24 5.15 0.58 6.12 2.96 -0.12 -1.29 118.68 134.32 1dqk s LEU 57 Ca 0.04 -1.57 -0.21 0.00 -0.22 0.00 0.00 54.13 52.17 1dqk s LEU 57 Cb -0.13 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1dqk s LEU 57 CO -0.06 -0.54 1.33 -2.84 -1.32 0.00 0.00 176.35 172.92 1dqk s PRO 58 N 1.39 2.98 0.02 0.98 0.02 -1.26 -1.38 135.00 137.74 1dqk s PRO 58 Ca 0.03 2.16 -0.35 0.00 0.02 0.00 0.00 61.00 62.86 1dqk s PRO 58 Cb -0.23 -2.13 -0.14 0.00 0.02 0.00 0.00 34.50 32.02 1dqk s PRO 58 CO 0.01 -1.29 1.66 -1.91 -0.33 0.00 0.00 177.00 175.14 1dqk n GLU 59 N -1.29 1.90 -0.96 5.54 2.13 0.59 -1.73 120.64 126.82 1dqk n GLU 59 Ca 0.12 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1dqk n GLU 59 Cb 0.46 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1dqk n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dqk n GLY 60 N 3.69 0.79 3.98 8.31 0.00 -1.26 -5.00 105.19 115.69 1dqk n GLY 60 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1dqk n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dqk s GLU 61 N -0.13 2.98 -0.02 1.61 2.02 -0.70 -5.04 118.70 119.41 1dqk s GLU 61 Ca 0.00 -0.86 0.17 0.00 0.02 0.00 0.00 54.97 54.31 1dqk s GLU 61 Cb 0.00 -2.69 -0.25 0.00 0.10 0.00 0.00 34.13 31.29 1dqk s GLU 61 CO 0.00 -0.19 0.44 0.09 0.02 0.00 0.00 175.26 175.61 1dqk n ASN 62 N -1.90 1.02 -4.30 -0.19 3.02 -1.26 -4.88 115.26 106.77 1dqk n ASN 62 Ca 0.03 -0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.09 1dqk n ASN 62 Cb 0.58 1.65 -0.15 0.00 -0.61 0.00 0.00 39.78 41.25 1dqk n ASN 62 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1dqk s PHE 63 N -3.08 2.76 0.40 3.10 0.40 -1.26 -5.11 117.98 115.19 1dqk s PHE 63 Ca -0.04 -0.88 -0.23 0.00 -0.60 0.00 0.00 56.93 55.18 1dqk s PHE 63 Cb 0.11 -1.84 -0.10 0.00 0.51 0.00 0.00 43.02 41.70 1dqk s PHE 63 CO 0.71 -0.36 0.98 0.54 0.70 0.00 0.00 175.22 177.80 1dqk s VAL 64 N 0.55 4.11 -0.07 -0.44 0.11 -1.26 -4.69 120.40 118.70 1dqk s VAL 64 Ca -0.10 1.50 0.02 0.00 -2.93 0.00 0.00 61.98 60.47 1dqk s VAL 64 Cb -0.16 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1dqk s VAL 64 CO 0.04 -0.11 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.25 1dqk s TYR 65 N -1.88 2.74 -0.18 1.54 1.51 -0.41 -4.95 117.35 115.72 1dqk s TYR 65 Ca 0.58 -0.28 -0.27 0.00 -1.01 0.00 0.00 57.07 56.10 1dqk s TYR 65 Cb -0.15 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1dqk s TYR 65 CO 0.20 0.09 0.90 -1.14 -1.11 0.00 0.00 175.55 174.49 1dqk s GLN 66 N -0.44 4.29 -0.05 -0.62 0.74 -1.26 -0.36 119.66 121.96 1dqk s GLN 66 Ca 0.05 1.14 -0.08 0.00 0.05 0.00 0.00 55.36 56.52 1dqk s GLN 66 Cb -0.12 -3.59 -0.29 0.00 1.10 0.00 0.00 33.01 30.10 1dqk s GLN 66 CO 0.02 -0.42 0.65 0.28 -0.55 0.00 0.00 175.29 175.27 1dqk h VAL 67 N 5.27 0.91 -1.81 1.34 2.07 -0.82 -3.48 116.25 119.74 1dqk h VAL 67 Ca -0.26 -2.53 0.29 0.00 0.82 0.00 0.00 66.70 65.01 1dqk h VAL 67 Cb 1.11 2.71 -0.10 0.00 -1.52 0.00 0.00 31.29 33.50 1dqk h VAL 67 CO 0.88 0.85 0.75 -0.83 0.02 0.00 0.00 177.57 179.24 1dqk s GLY 68 N -5.17 -0.29 -0.09 2.17 0.00 -1.04 -4.99 107.32 97.91 1dqk s GLY 68 Ca -0.16 0.40 -0.04 0.00 0.00 0.00 0.00 44.72 44.92 1dqk s GLY 68 CO 0.84 1.08 0.21 -1.60 0.00 0.00 0.00 173.10 173.63 1dqk s ARG 69 N -2.51 0.16 -0.16 2.90 3.52 -1.26 -1.47 118.95 120.13 1dqk s ARG 69 Ca 0.17 0.47 0.01 0.00 -0.13 0.00 0.00 55.73 56.25 1dqk s ARG 69 Cb 0.02 -0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.29 1dqk s ARG 69 CO -0.01 -0.17 -0.18 0.08 -0.81 0.00 0.00 175.30 174.21 1dqk s VAL 70 N 1.25 1.84 -0.20 7.11 1.01 -0.40 -5.01 120.40 125.99 1dqk s VAL 70 Ca -0.09 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1dqk s VAL 70 Cb -0.11 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1dqk s VAL 70 CO -0.08 0.50 0.10 -1.61 0.00 0.00 0.00 175.10 174.02 1dqk s GLU 71 N 1.28 4.01 -0.47 2.72 2.02 -1.26 -1.48 118.70 125.51 1dqk s GLU 71 Ca 0.03 -0.32 -0.17 0.00 0.02 0.00 0.00 54.97 54.53 1dqk s GLU 71 Cb -0.13 -3.33 0.06 0.00 0.10 0.00 0.00 34.13 30.83 1dqk s GLU 71 CO -0.10 0.19 0.46 -0.06 0.02 0.00 0.00 175.26 175.78 1dqk s PHE 72 N 0.62 3.18 -1.51 1.61 0.40 -0.00 -4.95 117.98 117.32 1dqk s PHE 72 Ca 0.05 -0.75 0.20 0.00 -0.60 0.00 0.00 56.93 55.83 1dqk s PHE 72 Cb -0.13 -3.22 -0.08 0.00 0.51 0.00 0.00 43.02 40.10 1dqk s PHE 72 CO 0.01 -0.85 0.94 0.25 0.70 0.00 0.00 175.22 176.27 1dqk n THR 73 N 5.34 0.00 -4.12 0.64 -2.24 -1.26 -4.68 114.28 107.96 1dqk n THR 73 Ca -0.10 -0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.13 1dqk n THR 73 Cb 0.45 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 1dqk n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dqk s ALA 74 N -2.46 3.08 -0.22 6.98 0.00 -1.26 -4.99 121.76 122.90 1dqk s ALA 74 Ca 0.13 -0.93 0.21 0.00 0.00 0.00 0.00 51.96 51.37 1dqk s ALA 74 Cb 0.16 -1.76 0.49 0.00 0.00 0.00 0.00 23.12 22.00 1dqk s ALA 74 CO 0.61 -0.04 1.14 0.72 0.00 0.00 0.00 175.76 178.18 1dqk n HIS 75 N 4.03 1.21 0.00 0.00 -0.00 -1.23 -0.57 115.22 118.66 1dqk n HIS 75 Ca -0.17 -1.84 0.00 0.00 -0.00 0.00 0.00 57.72 55.71 1dqk n HIS 75 Cb 0.52 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 1dqk n HIS 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1dqk n GLY 76 N -0.45 2.51 3.77 -1.41 0.00 -0.67 -2.02 105.19 106.93 1dqk n GLY 76 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1dqk n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dqk s GLU 77 N -0.27 3.94 0.31 1.61 1.03 -1.26 -0.05 118.70 124.00 1dqk s GLU 77 Ca 0.00 2.31 -0.19 0.00 0.03 0.00 0.00 54.97 57.11 1dqk s GLU 77 Cb 0.00 -2.79 0.03 0.00 -0.80 0.00 0.00 34.13 30.57 1dqk s GLU 77 CO 0.00 -0.57 0.73 -1.54 -1.33 0.00 0.00 175.26 172.55 1dqk s SER 78 N -0.55 -0.18 0.20 0.83 1.04 -1.12 -4.50 113.70 109.42 1dqk s SER 78 Ca 0.57 -0.75 0.17 0.00 0.48 0.00 0.00 55.95 56.41 1dqk s SER 78 Cb -0.41 0.76 0.81 0.00 0.10 0.00 0.00 66.02 67.27 1dqk s SER 78 CO 0.54 -1.43 1.51 1.33 0.98 0.00 0.00 173.24 176.17 1dqk n VAL 79 N -0.48 1.20 1.05 5.02 0.24 -1.26 -1.14 118.33 122.96 1dqk n VAL 79 Ca -0.05 0.51 0.12 0.00 -2.04 0.00 0.00 64.34 62.88 1dqk n VAL 79 Cb 0.59 -1.46 0.33 0.00 -1.47 0.00 0.00 33.84 31.83 1dqk n VAL 79 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1dqk n ASN 80 N -2.00 2.23 0.00 -1.34 3.02 -1.26 -5.05 115.26 110.86 1dqk n ASN 80 Ca 0.00 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1dqk n ASN 80 Cb 0.09 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1dqk n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dqk n GLY 81 N 1.26 2.06 3.75 7.41 0.00 -0.30 -4.93 105.19 114.44 1dqk n GLY 81 Ca 0.17 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 1dqk n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqk s PRO 82 N -1.76 2.97 -1.46 1.61 0.04 -1.26 -2.80 135.00 132.35 1dqk s PRO 82 Ca 0.00 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1dqk s PRO 82 Cb 0.00 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1dqk s PRO 82 CO 0.00 -1.26 0.70 0.09 0.04 0.00 0.00 177.00 176.57 1dqk n ASN 83 N -1.39 -2.19 0.00 6.66 5.03 -1.06 -4.88 115.26 117.42 1dqk n ASN 83 Ca 0.13 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.68 1dqk n ASN 83 Cb 0.47 -3.52 0.00 0.00 -1.02 0.00 0.00 39.78 35.72 1dqk n ASN 83 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1dqk n THR 84 N -4.44 0.00 0.17 3.41 -2.24 0.93 -4.79 114.28 107.31 1dqk n THR 84 Ca -0.16 -0.31 0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1dqk n THR 84 Cb 0.61 1.12 0.10 0.00 -2.10 0.00 0.00 70.33 70.07 1dqk n THR 84 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1dqk h SER 85 N 0.00 0.00 -0.85 3.42 4.64 -1.11 -3.48 113.55 116.18 1dqk h SER 85 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1dqk h SER 85 Cb 0.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.06 1dqk h SER 85 CO 0.00 0.35 -0.26 -0.67 -0.87 0.00 0.00 176.83 175.39 1dqk n ASP 86 N -3.21 -4.48 -3.93 4.97 4.64 -1.26 -4.98 116.55 108.29 1dqk n ASP 86 Ca 0.02 0.26 -0.30 0.00 -1.38 0.00 0.00 54.79 53.39 1dqk n ASP 86 Cb 0.66 -3.23 -0.15 0.00 -1.04 0.00 0.00 41.12 37.35 1dqk n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1dqk s VAL 87 N -2.51 1.59 -0.01 5.18 1.01 -1.26 -5.04 120.40 119.35 1dqk s VAL 87 Ca 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.62 1dqk s VAL 87 Cb 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1dqk s VAL 87 CO 0.00 -0.23 -0.15 -0.31 0.00 0.00 0.00 175.10 174.41 1dqk s TYR 88 N 1.34 1.38 -0.30 5.22 1.51 -1.26 -1.67 117.35 123.57 1dqk s TYR 88 Ca -0.02 -0.26 -0.10 0.00 -1.01 0.00 0.00 57.07 55.68 1dqk s TYR 88 Cb -0.19 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1dqk s TYR 88 CO -0.08 -0.03 0.15 0.99 -1.11 0.00 0.00 175.55 175.47 1dqk s THR 89 N -0.36 4.65 0.39 -0.71 2.01 0.27 -4.96 115.64 116.93 1dqk s THR 89 Ca 0.06 -0.33 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 1dqk s THR 89 Cb -0.06 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 1dqk s THR 89 CO -0.01 0.12 1.11 -1.61 -0.69 0.00 0.00 174.62 173.55 1dqk s GLU 90 N 1.63 4.16 -1.17 4.92 0.41 -1.26 -4.83 118.70 122.57 1dqk s GLU 90 Ca 0.05 1.71 -0.10 0.00 -0.41 0.00 0.00 54.97 56.22 1dqk s GLU 90 Cb -0.17 -2.69 -0.07 0.00 -1.78 0.00 0.00 34.13 29.43 1dqk s GLU 90 CO 0.06 -0.19 2.36 -0.35 -0.49 0.00 0.00 175.26 176.65 1dqk n PRO 91 N 0.15 2.57 -3.99 0.39 -0.04 -1.26 -4.81 135.00 128.02 1dqk n PRO 91 Ca 0.04 -1.85 -0.29 0.00 -0.04 0.00 0.00 63.50 61.36 1dqk n PRO 91 Cb 0.47 -2.70 -0.16 0.00 -0.04 0.00 0.00 33.50 31.07 1dqk n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1dqk s ILE 92 N 3.23 1.46 -0.07 0.52 1.01 -1.26 -2.61 121.20 123.49 1dqk s ILE 92 Ca 0.52 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1dqk s ILE 92 Cb 0.13 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1dqk s ILE 92 CO -0.03 0.40 -0.24 0.00 0.00 0.00 0.00 174.94 175.07 1dqk s ALA 93 N 1.52 2.08 -0.02 9.38 0.00 0.11 -4.99 121.76 129.85 1dqk s ALA 93 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.08 1dqk s ALA 93 Cb -0.13 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1dqk s ALA 93 CO -0.10 0.37 -0.19 0.71 0.00 0.00 0.00 175.76 176.55 1dqk s TYR 94 N -0.01 2.56 -0.04 0.00 1.51 -1.26 -0.29 117.35 119.82 1dqk s TYR 94 Ca -0.07 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1dqk s TYR 94 Cb -0.15 -1.55 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1dqk s TYR 94 CO 0.05 0.14 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.55 1dqk s PHE 95 N -0.75 0.57 -0.37 2.71 0.40 0.51 -4.99 117.98 116.06 1dqk s PHE 95 Ca 0.12 -0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 1dqk s PHE 95 Cb -0.10 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 42.90 1dqk s PHE 95 CO 0.01 -0.18 0.18 0.08 0.70 0.00 0.00 175.22 176.02 1dqk s VAL 96 N 1.05 4.23 -0.12 -0.44 1.01 -1.26 -0.09 120.40 124.78 1dqk s VAL 96 Ca -0.09 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1dqk s VAL 96 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1dqk s VAL 96 CO -0.01 -0.28 -0.04 -0.22 0.00 0.00 0.00 175.10 174.55 1dqk s LEU 97 N 1.47 3.27 -0.43 3.92 2.96 -0.14 -4.97 118.68 124.77 1dqk s LEU 97 Ca 0.01 -0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 1dqk s LEU 97 Cb -0.20 -1.76 0.07 0.00 0.50 0.00 0.00 46.19 44.80 1dqk s LEU 97 CO 0.04 0.26 0.30 -0.75 -1.32 0.00 0.00 176.35 174.88 1dqk s LYS 98 N -0.17 2.73 -0.07 1.98 2.20 -1.26 -0.48 119.74 124.67 1dqk s LYS 98 Ca 0.03 -1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 53.93 1dqk s LYS 98 Cb -0.13 -3.88 0.09 0.00 -1.51 0.00 0.00 37.83 32.39 1dqk s LYS 98 CO 0.02 -0.96 0.77 -0.08 -0.36 0.00 0.00 175.35 174.74 1dqk s THR 99 N 1.50 0.00 -1.53 3.43 -1.32 0.22 -5.02 115.64 112.91 1dqk s THR 99 Ca 0.03 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.65 1dqk s THR 99 Cb -0.23 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.81 1dqk s THR 99 CO 0.04 0.00 0.86 0.29 -2.21 0.00 0.00 174.62 173.60 1dqk n LYS 100 N 0.75 1.43 -1.89 7.08 5.02 -1.26 -4.55 118.16 124.73 1dqk n LYS 100 Ca -0.16 -1.05 -0.31 0.00 -2.02 0.00 0.00 58.31 54.77 1dqk n LYS 100 Cb 0.58 -1.24 0.01 0.00 -0.02 0.00 0.00 35.03 34.36 1dqk n LYS 100 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dqk s LYS 101 N -1.45 3.55 0.40 1.97 1.02 -1.26 -5.09 119.74 118.88 1dqk s LYS 101 Ca 0.14 0.72 0.08 0.00 0.02 0.00 0.00 55.97 56.93 1dqk s LYS 101 Cb 0.12 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1dqk s LYS 101 CO 0.26 -0.59 0.11 0.15 -0.92 0.00 0.00 175.35 174.36 1dqk s LYS 102 N -5.18 2.15 0.00 1.68 -0.14 -1.26 -4.98 119.74 112.01 1dqk s LYS 102 Ca 0.55 -1.87 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 1dqk s LYS 102 Cb -0.11 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 1dqk s LYS 102 CO 0.54 -0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.49 1dqk n GLY 103 N -1.13 -0.49 3.18 -3.33 0.00 -0.62 -0.30 105.19 102.50 1dqk n GLY 103 Ca -0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1dqk n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dqk s LYS 104 N -2.00 2.21 -0.12 1.61 2.20 -0.48 0.45 119.74 123.61 1dqk s LYS 104 Ca 0.00 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1dqk s LYS 104 Cb 0.00 -1.85 -0.03 0.00 -1.51 0.00 0.00 37.83 34.44 1dqk s LYS 104 CO 0.00 0.26 0.02 -0.51 -0.36 0.00 0.00 175.35 174.77 1dqk s LEU 105 N 0.06 3.67 0.01 5.43 1.43 0.04 -0.94 118.68 128.37 1dqk s LEU 105 Ca -0.07 0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1dqk s LEU 105 Cb -0.13 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1dqk s LEU 105 CO 0.04 0.30 -0.20 -0.31 0.23 0.00 0.00 176.35 176.42 1dqk s TYR 106 N -0.43 1.74 -0.04 0.29 1.51 -0.40 -1.10 117.35 118.91 1dqk s TYR 106 Ca 0.09 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 1dqk s TYR 106 Cb -0.12 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1dqk s TYR 106 CO 0.02 0.01 -0.21 0.00 -1.11 0.00 0.00 175.55 174.26 1dqk s ALA 107 N -0.58 2.34 -0.09 3.71 0.00 0.15 -0.54 121.76 126.76 1dqk s ALA 107 Ca 0.07 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1dqk s ALA 107 Cb -0.08 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1dqk s ALA 107 CO 0.00 0.51 -0.06 -1.17 0.00 0.00 0.00 175.76 175.04 1dqk s LEU 108 N -0.54 1.12 0.13 0.00 2.96 -0.42 -2.30 118.68 119.63 1dqk s LEU 108 Ca 0.07 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.83 1dqk s LEU 108 Cb -0.11 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 1dqk s LEU 108 CO 0.01 -0.11 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.78 1dqk s SER 109 N 1.57 2.63 -0.13 3.68 1.04 0.99 -0.30 113.70 123.18 1dqk s SER 109 Ca 0.01 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1dqk s SER 109 Cb -0.13 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.86 1dqk s SER 109 CO -0.05 0.03 -0.14 -0.47 0.98 0.00 0.00 173.24 173.58 1dqk s TYR 110 N -1.51 2.01 -0.07 5.02 5.04 -1.05 0.17 117.35 126.96 1dqk s TYR 110 Ca 0.10 -1.04 -0.12 0.00 -2.44 0.00 0.00 57.07 53.58 1dqk s TYR 110 Cb -0.08 -1.48 -0.05 0.00 0.35 0.00 0.00 41.96 40.70 1dqk s TYR 110 CO 0.05 -0.56 0.30 0.00 -1.34 0.00 0.00 175.55 173.99 1dqk h ASN 112 N 5.18 0.00 0.00 0.00 -1.07 -1.63 -3.05 115.58 115.01 1dqk h ASN 112 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.86 1dqk h ASN 112 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1dqk h ASN 112 CO 0.63 0.00 0.00 2.30 0.07 0.00 0.00 177.43 180.43 1dqk n ILE 113 N -3.12 0.00 -0.88 6.14 -5.35 -1.26 -4.81 119.36 110.07 1dqk n ILE 113 Ca -0.02 -0.27 0.08 0.00 -0.27 0.00 0.00 62.75 62.27 1dqk n ILE 113 Cb 0.11 1.15 0.19 0.00 -1.74 0.00 0.00 39.64 39.34 1dqk n ILE 113 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1dqk n HIS 114 N -0.37 0.49 -4.49 4.28 8.25 -1.19 -5.11 115.22 117.09 1dqk n HIS 114 Ca 0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 1dqk n HIS 114 Cb 0.04 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1dqk n HIS 114 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqk n GLY 115 N -0.76 -0.56 3.84 -1.41 0.00 -1.16 -4.79 105.19 100.35 1dqk n GLY 115 Ca 0.17 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1dqk n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqk s LEU 116 N 0.00 4.38 0.04 0.99 1.43 -1.25 -1.25 118.68 123.02 1dqk s LEU 116 Ca 0.00 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 1dqk s LEU 116 Cb 0.00 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 1dqk s LEU 116 CO 0.00 0.15 -0.11 0.26 0.23 0.00 0.00 176.35 176.88 1dqk s TRP 117 N -1.38 0.95 0.23 0.29 0.52 0.13 -1.42 118.94 118.26 1dqk s TRP 117 Ca 0.36 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.10 1dqk s TRP 117 Cb -0.16 -0.56 -0.05 0.00 -1.15 0.00 0.00 33.47 31.55 1dqk s TRP 117 CO 0.19 -0.00 0.09 -1.83 0.02 0.00 0.00 176.95 175.42 1dqk s GLU 118 N -1.26 1.30 -0.01 4.98 -1.05 -0.40 -0.01 118.70 122.25 1dqk s GLU 118 Ca -0.03 -1.69 -0.30 0.00 -0.15 0.00 0.00 54.97 52.80 1dqk s GLU 118 Cb -0.08 -0.11 0.11 0.00 -0.44 0.00 0.00 34.13 33.60 1dqk s GLU 118 CO 0.01 -0.30 1.07 1.21 0.95 0.00 0.00 175.26 178.20 1dqk s ASN 119 N -3.25 -0.19 0.15 0.83 2.47 -0.97 -4.53 114.94 109.44 1dqk s ASN 119 Ca 0.36 -0.13 -0.18 0.00 0.42 0.00 0.00 52.86 53.33 1dqk s ASN 119 Cb 0.07 0.30 0.04 0.00 -1.45 0.00 0.00 41.25 40.22 1dqk s ASN 119 CO 0.12 -0.53 0.46 -1.83 -3.72 0.00 0.00 177.10 171.60 1dqk s GLU 120 N -2.84 1.17 0.01 0.43 -1.05 -1.26 -0.67 118.70 114.49 1dqk s GLU 120 Ca 0.10 -0.69 -0.17 0.00 -0.15 0.00 0.00 54.97 54.05 1dqk s GLU 120 Cb 0.00 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.23 1dqk s GLU 120 CO -0.04 -0.48 0.37 0.54 0.95 0.00 0.00 175.26 176.60 1dqk s VAL 121 N -3.81 0.06 0.13 1.83 0.11 -0.26 -5.00 120.40 113.46 1dqk s VAL 121 Ca 0.04 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.34 1dqk s VAL 121 Cb 0.01 -0.80 -0.07 0.00 -1.53 0.00 0.00 36.38 33.99 1dqk s VAL 121 CO -0.10 -0.25 0.92 -0.89 -3.33 0.00 0.00 175.10 171.45 1dqk s THR 122 N -1.82 4.43 -0.40 5.04 2.01 -1.26 -0.78 115.64 122.86 1dqk s THR 122 Ca -0.10 2.00 -0.13 0.00 0.31 0.00 0.00 61.69 63.77 1dqk s THR 122 Cb -0.03 -4.29 0.03 0.00 0.01 0.00 0.00 72.50 68.22 1dqk s THR 122 CO 0.02 0.37 0.26 -0.22 -0.69 0.00 0.00 174.62 174.36 1dqk s LEU 123 N -0.32 4.97 0.00 4.42 2.96 0.17 -4.88 118.68 126.00 1dqk s LEU 123 Ca 0.44 -0.98 0.25 0.00 -0.22 0.00 0.00 54.13 53.62 1dqk s LEU 123 Cb -0.24 -2.10 0.48 0.00 0.50 0.00 0.00 46.19 44.84 1dqk s LEU 123 CO 0.29 -0.44 1.43 -0.62 -1.32 0.00 0.00 176.35 175.69