#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 0.59 -0.01 2.02 2.10 -2.04 -2.26 117.51 117.92 1dqk h ILE 2 Ca 0.00 -0.62 0.00 0.00 1.08 0.00 0.00 64.86 65.32 1dqk h ILE 2 Cb 0.00 1.40 -0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1dqk h ILE 2 CO 0.00 0.14 0.14 0.77 -1.08 0.00 0.00 178.15 178.12 1dqk h SER 3 N 0.00 0.00 0.38 2.19 4.64 -2.05 0.67 113.55 119.38 1dqk h SER 3 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqk h SER 3 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1dqk h SER 3 CO 0.02 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.14 1dqk n GLU 4 N -3.04 0.25 0.00 4.77 0.28 -0.85 -2.18 120.64 119.86 1dqk n GLU 4 Ca -0.02 0.11 0.05 0.00 -0.16 0.00 0.00 57.16 57.14 1dqk n GLU 4 Cb 0.20 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.60 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 -1.30 0.00 -3.67 3.84 -2.24 0.23 -4.96 114.28 106.17 1dqk n THR 5 Ca 0.09 -0.47 -0.37 0.00 -2.27 0.00 0.00 64.05 61.03 1dqk n THR 5 Cb 0.16 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.99 5.23 0.15 2.28 1.01 -0.93 -3.85 121.20 124.10 1dqk s ILE 6 Ca 0.10 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1dqk s ILE 6 Cb 0.08 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1dqk s ILE 6 CO 0.16 0.32 0.28 -0.13 0.00 0.00 0.00 174.94 175.58 1dqk s ARG 7 N 1.26 3.43 0.08 2.79 0.52 -0.47 -4.93 118.95 121.64 1dqk s ARG 7 Ca 0.07 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1dqk s ARG 7 Cb -0.14 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 1dqk s ARG 7 CO 0.06 0.52 0.05 -1.13 0.02 0.00 0.00 175.30 174.82 1dqk n SER 8 N -0.55 0.38 0.00 0.23 3.41 -1.26 -1.23 113.62 114.60 1dqk n SER 8 Ca -0.07 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1dqk n SER 8 Cb 0.54 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1dqk n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqk n GLY 9 N 0.68 -0.16 3.52 5.00 0.00 -1.26 -5.00 105.19 107.97 1dqk n GLY 9 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1dqk n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dqk s ASP 10 N -4.00 6.21 0.00 1.61 -1.08 -1.26 -4.92 116.67 113.23 1dqk s ASP 10 Ca 0.00 -0.38 0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1dqk s ASP 10 Cb 0.00 -2.22 0.12 0.00 -1.46 0.00 0.00 42.92 39.37 1dqk s ASP 10 CO 0.00 -0.46 0.94 -2.67 0.52 0.00 0.00 175.17 173.50 1dqk n TRP 11 N 5.53 0.00 0.10 -5.34 4.27 -1.26 0.80 117.44 121.54 1dqk n TRP 11 Ca -0.08 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.38 1dqk n TRP 11 Cb 0.48 -0.34 -0.13 0.00 -1.36 0.00 0.00 31.31 29.97 1dqk n TRP 11 CO 0.00 0.00 0.00 -0.22 -2.29 0.00 0.00 177.69 175.18 1dqk h LYS 12 N 0.00 0.29 0.00 -2.67 1.63 -1.97 -3.36 116.57 110.49 1dqk h LYS 12 Ca 0.00 -0.47 -0.14 0.00 -0.85 0.00 0.00 60.65 59.20 1dqk h LYS 12 Cb 0.03 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1dqk h LYS 12 CO 0.00 1.21 -1.73 0.41 -3.45 0.00 0.00 179.45 175.89 1dqk n GLY 13 N 1.48 -0.58 3.39 5.01 0.00 -0.49 -4.74 105.19 109.25 1dqk n GLY 13 Ca -0.08 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.50 2.89 0.55 1.61 2.56 0.24 -4.98 118.70 119.07 1dqk s GLU 14 Ca -0.05 -1.04 0.33 0.00 0.00 0.00 0.00 54.97 54.21 1dqk s GLU 14 Cb 0.05 -3.75 1.54 0.00 2.00 0.00 0.00 34.13 33.97 1dqk s GLU 14 CO 0.50 -0.68 2.06 1.57 -0.56 0.00 0.00 175.26 178.15 1dqk h LYS 15 N 8.45 0.00 0.00 4.30 2.10 -1.80 -3.09 116.57 126.54 1dqk h LYS 15 Ca -0.26 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.37 1dqk h LYS 15 Cb 1.11 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1dqk h LYS 15 CO 0.67 0.05 -0.07 0.45 -2.00 0.00 0.00 179.45 178.55 1dqk h HIS 16 N 0.00 0.00 -2.48 0.07 3.86 -1.93 -3.01 115.15 111.66 1dqk h HIS 16 Ca -0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1dqk h HIS 16 Cb 0.41 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.89 1dqk h HIS 16 CO 0.00 0.07 1.16 0.08 0.86 0.00 0.00 177.93 180.11 1dqk s VAL 17 N -3.18 3.17 0.09 2.45 1.01 -1.17 -4.87 120.40 117.91 1dqk s VAL 17 Ca 0.06 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 1dqk s VAL 17 Cb 0.05 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 1dqk s VAL 17 CO 0.68 -0.02 1.34 -2.16 0.00 0.00 0.00 175.10 174.94 1dqk s PRO 18 N 4.10 4.35 -0.25 2.72 0.04 -1.26 -4.46 135.00 140.24 1dqk s PRO 18 Ca 0.82 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.73 1dqk s PRO 18 Cb -0.40 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 1dqk s PRO 18 CO 0.37 -0.40 0.23 0.08 0.04 0.00 0.00 177.00 177.32 1dqk s VAL 19 N 1.16 5.30 -0.19 -0.36 1.01 0.67 -4.62 120.40 123.38 1dqk s VAL 19 Ca 0.63 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 1dqk s VAL 19 Cb -0.35 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1dqk s VAL 19 CO 0.30 0.28 0.05 -0.63 0.00 0.00 0.00 175.10 175.09 1dqk s ILE 20 N 1.45 4.57 0.02 2.22 1.01 -1.26 -2.03 121.20 127.18 1dqk s ILE 20 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1dqk s ILE 20 Cb -0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 1dqk s ILE 20 CO 0.08 0.45 -0.06 -1.61 0.00 0.00 0.00 174.94 173.80 1dqk s GLU 21 N 0.55 0.42 0.07 2.79 2.02 -0.12 -4.98 118.70 119.44 1dqk s GLU 21 Ca 0.02 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.39 1dqk s GLU 21 Cb -0.13 -0.21 -0.00 0.00 0.10 0.00 0.00 34.13 33.88 1dqk s GLU 21 CO 0.01 0.04 0.17 1.52 0.02 0.00 0.00 175.26 177.02 1dqk s TYR 22 N -1.01 0.15 -0.22 1.61 -0.85 -1.26 0.21 117.35 115.99 1dqk s TYR 22 Ca -0.08 -0.54 -0.04 0.00 -0.52 0.00 0.00 57.07 55.90 1dqk s TYR 22 Cb -0.07 -0.08 0.07 0.00 0.38 0.00 0.00 41.96 42.26 1dqk s TYR 22 CO -0.00 -0.50 0.08 -2.00 -1.52 0.00 0.00 175.55 171.61 1dqk s GLU 23 N -3.51 0.35 -0.48 -3.49 2.56 -0.21 -4.98 118.70 108.94 1dqk s GLU 23 Ca 0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 54.97 54.33 1dqk s GLU 23 Cb 0.03 -1.80 0.03 0.00 2.00 0.00 0.00 34.13 34.39 1dqk s GLU 23 CO -0.09 -0.76 1.07 0.50 -0.56 0.00 0.00 175.26 175.41 1dqk s ARG 24 N 1.99 3.65 -0.40 4.30 3.52 -1.26 -2.09 118.95 128.65 1dqk s ARG 24 Ca 0.03 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1dqk s ARG 24 Cb -0.16 -3.92 0.11 0.00 -1.56 0.00 0.00 34.95 29.42 1dqk s ARG 24 CO -0.16 -1.34 0.16 -1.21 -0.81 0.00 0.00 175.30 171.93 1dqk s GLU 25 N 4.24 1.82 6.41 5.12 2.02 0.18 -4.99 118.70 133.49 1dqk s GLU 25 Ca 0.44 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.50 1dqk s GLU 25 Cb -0.08 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1dqk s GLU 25 CO 0.30 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1dqk n GLY 26 N 4.30 1.62 0.31 -1.39 0.00 -1.26 -1.71 105.19 107.07 1dqk n GLY 26 Ca 0.01 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 12.83 1.43 -3.69 1.61 0.28 -1.26 -4.81 120.64 127.02 1dqk n GLU 27 Ca 0.00 -0.63 -0.35 0.00 -0.16 0.00 0.00 57.16 56.02 1dqk n GLU 27 Cb 0.00 -1.48 -0.08 0.00 1.43 0.00 0.00 31.44 31.31 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 -1.97 4.21 -0.26 -1.84 1.43 -0.69 -1.24 118.68 118.33 1dqk s LEU 28 Ca 0.41 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1dqk s LEU 28 Cb 0.21 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1dqk s LEU 28 CO 0.34 0.16 -0.08 -0.69 0.23 0.00 0.00 176.35 176.32 1dqk s VAL 29 N 0.39 2.60 -0.34 -1.59 1.01 0.19 0.47 120.40 123.12 1dqk s VAL 29 Ca 0.10 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.60 1dqk s VAL 29 Cb -0.11 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1dqk s VAL 29 CO -0.01 0.08 0.43 -0.54 0.00 0.00 0.00 175.10 175.06 1dqk s LYS 30 N 1.23 3.62 -0.13 2.72 1.02 -0.89 -0.53 119.74 126.79 1dqk s LYS 30 Ca -0.04 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.67 1dqk s LYS 30 Cb -0.18 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 1dqk s LYS 30 CO -0.05 -0.56 -0.06 0.08 -0.92 0.00 0.00 175.35 173.85 1dqk s VAL 31 N 2.19 3.73 -0.14 3.17 1.01 0.78 -1.04 120.40 130.11 1dqk s VAL 31 Ca 0.15 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1dqk s VAL 31 Cb -0.16 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1dqk s VAL 31 CO 0.12 0.53 -0.15 -0.75 0.00 0.00 0.00 175.10 174.85 1dqk s LYS 32 N -0.01 3.26 -0.06 2.72 2.20 0.13 -0.15 119.74 127.84 1dqk s LYS 32 Ca -0.00 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.89 1dqk s LYS 32 Cb -0.13 -2.59 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 1dqk s LYS 32 CO 0.03 0.11 -0.10 0.08 -0.36 0.00 0.00 175.35 175.11 1dqk s VAL 33 N 0.58 0.97 0.06 4.02 1.01 0.14 -0.95 120.40 126.24 1dqk s VAL 33 Ca -0.09 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1dqk s VAL 33 Cb -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1dqk s VAL 33 CO 0.03 0.32 0.20 0.00 0.00 0.00 0.00 175.10 175.66 1dqk s GLN 34 N 0.70 0.78 -0.18 2.72 -2.07 -0.86 0.75 119.66 121.50 1dqk s GLN 34 Ca -0.14 -0.77 -0.02 0.00 -1.82 0.00 0.00 55.36 52.62 1dqk s GLN 34 Cb -0.15 0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 32.08 1dqk s GLN 34 CO 0.03 -0.24 -0.10 0.08 -1.32 0.00 0.00 175.29 173.74 1dqk s VAL 35 N -3.17 3.09 0.00 3.63 1.01 -0.76 -0.24 120.40 123.96 1dqk s VAL 35 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1dqk s VAL 35 Cb 0.02 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1dqk s VAL 35 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1dqk n GLY 36 N 4.21 1.26 0.18 4.51 0.00 -1.14 -4.53 105.19 109.68 1dqk n GLY 36 Ca -0.18 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 0.57 0.00 1.61 3.64 -1.86 -3.25 116.57 117.29 1dqk h LYS 37 Ca 0.00 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1dqk h LYS 37 Cb 0.13 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1dqk h LYS 37 CO 0.00 0.91 -1.23 -1.91 -2.27 0.00 0.00 179.45 174.95 1dqk n GLU 38 N -4.36 0.53 -3.61 1.90 4.07 -1.26 -4.82 120.64 113.09 1dqk n GLU 38 Ca -0.05 0.26 -0.40 0.00 -0.06 0.00 0.00 57.16 56.92 1dqk n GLU 38 Cb 0.44 -1.48 -0.11 0.00 -0.06 0.00 0.00 31.44 30.23 1dqk n GLU 38 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1dqk s ILE 39 N -2.75 4.71 0.17 6.31 1.09 -1.26 -5.05 121.20 124.42 1dqk s ILE 39 Ca -0.29 -0.57 -0.33 0.00 -1.10 0.00 0.00 60.65 58.35 1dqk s ILE 39 Cb 0.06 -3.50 -0.15 0.00 -1.06 0.00 0.00 42.46 37.81 1dqk s ILE 39 CO 0.42 -0.07 1.39 -2.65 -0.10 0.00 0.00 174.94 173.92 1dqk n PRO 40 N 5.01 1.71 -4.15 2.79 -0.02 -1.22 -3.83 135.00 135.29 1dqk n PRO 40 Ca -0.13 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.61 1dqk n PRO 40 Cb 0.48 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.27 3.33 0.73 6.00 2.46 -1.26 -4.95 115.29 121.88 1dqk s HIS 41 Ca 0.75 0.30 -0.16 0.00 0.47 0.00 0.00 55.06 56.43 1dqk s HIS 41 Cb -0.76 -1.82 0.03 0.00 -0.13 0.00 0.00 32.58 29.90 1dqk s HIS 41 CO 0.46 0.58 1.16 -2.30 -2.47 0.00 0.00 174.74 172.17 1dqk n PRO 42 N 1.82 0.56 -3.33 2.88 -0.02 -1.26 -4.98 135.00 130.67 1dqk n PRO 42 Ca -0.17 0.26 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 1dqk n PRO 42 Cb 0.54 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 1dqk n PRO 42 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1dqk s ASN 43 N -1.75 1.17 0.33 2.55 3.84 -1.23 -4.31 114.94 115.55 1dqk s ASN 43 Ca 0.76 -2.88 0.05 0.00 0.21 0.00 0.00 52.86 51.00 1dqk s ASN 43 Cb -0.33 -0.18 -0.07 0.00 -0.55 0.00 0.00 41.25 40.12 1dqk s ASN 43 CO 0.47 -0.17 0.02 0.42 -2.79 0.00 0.00 177.10 175.06 1dqk s THR 44 N 0.20 1.45 0.35 -5.21 -4.23 0.36 -4.86 115.64 103.71 1dqk s THR 44 Ca 0.32 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1dqk s THR 44 Cb 0.02 -2.77 0.29 0.00 1.34 0.00 0.00 72.50 71.39 1dqk s THR 44 CO -0.17 -0.06 1.94 0.74 -0.54 0.00 0.00 174.62 176.53 1dqk h THR 45 N 2.08 1.02 0.00 3.99 2.02 -1.70 -2.56 112.91 117.75 1dqk h THR 45 Ca -0.41 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1dqk h THR 45 Cb 1.24 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1dqk h THR 45 CO 0.72 0.15 -0.67 -0.33 0.37 0.00 0.00 175.52 175.75 1dqk h GLU 46 N 0.81 0.00 -2.70 6.66 3.07 -1.96 -3.45 114.58 117.01 1dqk h GLU 46 Ca 0.34 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.96 1dqk h GLU 46 Cb 0.27 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 27.85 1dqk h GLU 46 CO -0.12 0.23 -0.55 -1.58 -1.40 0.00 0.00 179.01 175.59 1dqk s HIS 47 N -3.10 -0.42 0.03 4.33 5.04 -0.96 -4.85 115.29 115.36 1dqk s HIS 47 Ca 0.02 0.78 -0.28 0.00 -1.54 0.00 0.00 55.06 54.04 1dqk s HIS 47 Cb 0.08 -0.11 0.09 0.00 0.04 0.00 0.00 32.58 32.68 1dqk s HIS 47 CO 0.75 -0.44 0.86 -3.38 -2.34 0.00 0.00 174.74 170.18 1dqk s HIS 48 N 2.41 -0.35 -0.15 3.88 -3.43 -1.26 -0.48 115.29 115.91 1dqk s HIS 48 Ca 0.04 0.19 -0.25 0.00 -0.80 0.00 0.00 55.06 54.23 1dqk s HIS 48 Cb -0.13 0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 1dqk s HIS 48 CO -0.10 -0.61 0.82 0.42 -2.00 0.00 0.00 174.74 173.27 1dqk s ILE 49 N -3.22 4.90 0.04 -5.38 -1.09 -1.26 -1.53 121.20 113.67 1dqk s ILE 49 Ca 0.05 1.62 -0.13 0.00 -2.23 0.00 0.00 60.65 59.96 1dqk s ILE 49 Cb -0.01 -4.13 -0.34 0.00 -1.58 0.00 0.00 42.46 36.40 1dqk s ILE 49 CO -0.08 0.06 1.04 0.03 -1.23 0.00 0.00 174.94 174.76 1dqk h ARG 50 N 7.24 0.50 -2.14 2.79 2.47 -0.95 -3.43 114.38 120.87 1dqk h ARG 50 Ca -0.31 -0.82 0.21 0.00 -1.26 0.00 0.00 59.98 57.79 1dqk h ARG 50 Cb 1.14 0.30 -0.10 0.00 -1.65 0.00 0.00 29.97 29.67 1dqk h ARG 50 CO 0.82 1.39 0.56 1.52 0.56 0.00 0.00 179.97 184.82 1dqk s TYR 51 N -2.66 -0.13 -0.01 3.04 -0.85 -1.24 -1.07 117.35 114.43 1dqk s TYR 51 Ca -0.08 -0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.36 1dqk s TYR 51 Cb 0.05 0.61 0.01 0.00 0.38 0.00 0.00 41.96 43.01 1dqk s TYR 51 CO 0.93 -0.68 -0.04 0.42 -1.52 0.00 0.00 175.55 174.67 1dqk s ILE 52 N -3.08 0.34 0.04 -3.49 1.01 -0.39 -2.53 121.20 113.09 1dqk s ILE 52 Ca 0.12 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.73 1dqk s ILE 52 Cb -0.00 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 1dqk s ILE 52 CO 0.00 0.12 -0.23 -1.61 0.00 0.00 0.00 174.94 173.22 1dqk s GLU 53 N 0.24 1.61 -0.09 2.79 2.02 0.66 -0.98 118.70 124.95 1dqk s GLU 53 Ca -0.02 -0.99 0.04 0.00 0.02 0.00 0.00 54.97 54.03 1dqk s GLU 53 Cb -0.06 -1.72 -0.00 0.00 0.10 0.00 0.00 34.13 32.45 1dqk s GLU 53 CO -0.00 0.45 -0.24 -1.17 0.02 0.00 0.00 175.26 174.31 1dqk s LEU 54 N -1.10 2.10 0.20 1.80 2.96 -0.53 -0.95 118.68 123.15 1dqk s LEU 54 Ca 0.09 -0.54 0.10 0.00 -0.22 0.00 0.00 54.13 53.56 1dqk s LEU 54 Cb -0.09 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 1dqk s LEU 54 CO 0.01 0.18 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.72 1dqk s TYR 55 N 0.20 2.03 -0.05 5.38 1.51 0.34 0.15 117.35 126.90 1dqk s TYR 55 Ca -0.14 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1dqk s TYR 55 Cb -0.17 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 1dqk s TYR 55 CO 0.07 0.45 0.05 0.12 -1.11 0.00 0.00 175.55 175.13 1dqk s PHE 56 N -2.09 0.22 -0.39 2.71 5.36 0.50 -0.95 117.98 123.34 1dqk s PHE 56 Ca 0.20 0.13 -0.06 0.00 -0.96 0.00 0.00 56.93 56.24 1dqk s PHE 56 Cb -0.06 -0.57 0.08 0.00 -0.34 0.00 0.00 43.02 42.13 1dqk s PHE 56 CO 0.09 -0.24 0.19 -1.17 -1.46 0.00 0.00 175.22 172.63 1dqk s LEU 57 N 2.12 4.91 0.57 6.12 2.96 -0.31 -1.12 118.68 133.94 1dqk s LEU 57 Ca 0.05 -1.59 -0.21 0.00 -0.22 0.00 0.00 54.13 52.16 1dqk s LEU 57 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1dqk s LEU 57 CO -0.04 -0.48 1.35 -2.84 -1.32 0.00 0.00 176.35 173.02 1dqk s PRO 58 N 1.32 3.00 -0.02 0.98 0.02 -1.26 -1.50 135.00 137.54 1dqk s PRO 58 Ca 0.03 2.20 -0.34 0.00 0.02 0.00 0.00 61.00 62.90 1dqk s PRO 58 Cb -0.22 -2.16 -0.12 0.00 0.02 0.00 0.00 34.50 32.01 1dqk s PRO 58 CO -0.00 -1.29 1.79 -1.91 -0.33 0.00 0.00 177.00 175.26 1dqk n GLU 59 N -1.24 2.14 -0.63 5.54 2.13 0.90 -1.83 120.64 127.65 1dqk n GLU 59 Ca 0.12 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1dqk n GLU 59 Cb 0.46 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.57 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 4.10 1.32 3.95 8.31 0.00 -1.26 -5.00 105.19 116.61 1dqk n GLY 60 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.16 3.48 0.02 1.61 2.02 -0.76 -5.03 118.70 119.88 1dqk s GLU 61 Ca 0.00 -0.43 0.23 0.00 0.02 0.00 0.00 54.97 54.78 1dqk s GLU 61 Cb 0.00 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.52 1dqk s GLU 61 CO 0.00 0.23 1.01 0.09 0.02 0.00 0.00 175.26 176.61 1dqk n ASN 62 N -1.63 0.65 -4.05 -0.19 3.02 -1.26 -4.85 115.26 106.95 1dqk n ASN 62 Ca -0.06 -0.40 -0.30 0.00 -0.03 0.00 0.00 54.58 53.79 1dqk n ASN 62 Cb 0.56 0.86 -0.16 0.00 -0.61 0.00 0.00 39.78 40.43 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 -3.14 2.21 0.47 3.10 0.40 -1.26 -5.11 117.98 114.64 1dqk s PHE 63 Ca 0.05 -1.19 -0.22 0.00 -0.60 0.00 0.00 56.93 54.97 1dqk s PHE 63 Cb 0.15 -1.60 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 1dqk s PHE 63 CO 0.81 -0.63 1.12 0.54 0.70 0.00 0.00 175.22 177.77 1dqk s VAL 64 N 1.29 3.32 -0.08 -0.44 0.11 -1.26 -4.72 120.40 118.62 1dqk s VAL 64 Ca 0.01 0.93 0.03 0.00 -2.93 0.00 0.00 61.98 60.02 1dqk s VAL 64 Cb -0.14 -3.44 -0.02 0.00 -1.53 0.00 0.00 36.38 31.26 1dqk s VAL 64 CO -0.08 -0.07 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.14 1dqk s TYR 65 N -1.67 2.67 -0.15 1.54 1.51 -0.27 -4.96 117.35 116.01 1dqk s TYR 65 Ca 0.65 -0.45 -0.28 0.00 -1.01 0.00 0.00 57.07 55.99 1dqk s TYR 65 Cb -0.25 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1dqk s TYR 65 CO 0.30 -0.04 0.94 -1.14 -1.11 0.00 0.00 175.55 174.50 1dqk s GLN 66 N -0.26 4.34 -0.03 -0.62 0.74 -1.26 -0.37 119.66 122.20 1dqk s GLN 66 Ca 0.01 1.23 -0.06 0.00 0.05 0.00 0.00 55.36 56.58 1dqk s GLN 66 Cb -0.13 -3.57 -0.29 0.00 1.10 0.00 0.00 33.01 30.12 1dqk s GLN 66 CO 0.03 -0.38 0.72 0.28 -0.55 0.00 0.00 175.29 175.39 1dqk h VAL 67 N 5.20 0.99 -1.44 1.34 2.07 -0.62 -3.48 116.25 120.31 1dqk h VAL 67 Ca -0.28 -2.62 0.38 0.00 0.82 0.00 0.00 66.70 65.00 1dqk h VAL 67 Cb 1.12 2.72 -0.11 0.00 -1.52 0.00 0.00 31.29 33.50 1dqk h VAL 67 CO 0.87 0.83 0.95 -0.83 0.02 0.00 0.00 177.57 179.40 1dqk s GLY 68 N -5.09 -0.38 -0.07 2.17 0.00 -1.05 -5.00 107.32 97.89 1dqk s GLY 68 Ca -0.13 0.63 -0.04 0.00 0.00 0.00 0.00 44.72 45.18 1dqk s GLY 68 CO 0.84 2.07 0.17 -1.60 0.00 0.00 0.00 173.10 174.58 1dqk s ARG 69 N -2.11 0.13 -0.14 2.90 3.52 -1.26 -1.46 118.95 120.53 1dqk s ARG 69 Ca 0.20 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1dqk s ARG 69 Cb 0.05 -0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.33 1dqk s ARG 69 CO -0.05 -0.14 -0.19 0.08 -0.81 0.00 0.00 175.30 174.19 1dqk s VAL 70 N 1.01 1.86 -0.19 7.11 1.01 -0.15 -5.01 120.40 126.04 1dqk s VAL 70 Ca -0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1dqk s VAL 70 Cb -0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1dqk s VAL 70 CO -0.06 0.51 0.06 -1.61 0.00 0.00 0.00 175.10 174.00 1dqk s GLU 71 N 1.08 3.88 -0.51 2.72 2.02 -1.26 -1.26 118.70 125.38 1dqk s GLU 71 Ca -0.02 -0.39 -0.16 0.00 0.02 0.00 0.00 54.97 54.42 1dqk s GLU 71 Cb -0.14 -3.21 0.09 0.00 0.10 0.00 0.00 34.13 30.96 1dqk s GLU 71 CO -0.06 0.17 0.47 -0.06 0.02 0.00 0.00 175.26 175.80 1dqk s PHE 72 N 0.65 3.21 -1.62 1.61 0.40 -0.23 -4.95 117.98 117.05 1dqk s PHE 72 Ca 0.03 -1.01 0.22 0.00 -0.60 0.00 0.00 56.93 55.56 1dqk s PHE 72 Cb -0.13 -3.46 -0.10 0.00 0.51 0.00 0.00 43.02 39.84 1dqk s PHE 72 CO 0.02 -0.92 1.01 0.25 0.70 0.00 0.00 175.22 176.27 1dqk n THR 73 N 5.28 0.00 -4.10 0.64 -2.24 -1.26 -4.68 114.28 107.91 1dqk n THR 73 Ca -0.12 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 1dqk n THR 73 Cb 0.43 1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 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 -2.67 3.21 -0.21 6.98 0.00 -1.26 -5.00 121.76 122.82 1dqk s ALA 74 Ca 0.14 -0.85 0.22 0.00 0.00 0.00 0.00 51.96 51.47 1dqk s ALA 74 Cb 0.17 -1.82 0.49 0.00 0.00 0.00 0.00 23.12 21.96 1dqk s ALA 74 CO 0.68 0.06 1.13 0.72 0.00 0.00 0.00 175.76 178.36 1dqk n HIS 75 N 3.80 1.11 0.00 0.00 -0.00 -1.24 -0.88 115.22 118.02 1dqk n HIS 75 Ca -0.17 -1.80 0.00 0.00 -0.00 0.00 0.00 57.72 55.75 1dqk n HIS 75 Cb 0.52 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 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 -0.40 2.37 3.77 -1.41 0.00 -0.65 -1.69 105.19 107.18 1dqk n GLY 76 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.21 4.21 0.29 1.61 1.03 -1.26 0.23 118.70 124.59 1dqk s GLU 77 Ca 0.00 2.30 -0.19 0.00 0.03 0.00 0.00 54.97 57.12 1dqk s GLU 77 Cb 0.00 -2.98 0.02 0.00 -0.80 0.00 0.00 34.13 30.37 1dqk s GLU 77 CO 0.00 -0.34 0.68 -1.54 -1.33 0.00 0.00 175.26 172.73 1dqk s SER 78 N -0.44 -0.17 0.34 0.83 1.04 -1.05 -4.51 113.70 109.73 1dqk s SER 78 Ca 0.52 -0.75 0.24 0.00 0.48 0.00 0.00 55.95 56.43 1dqk s SER 78 Cb -0.41 0.72 1.23 0.00 0.10 0.00 0.00 66.02 67.66 1dqk s SER 78 CO 0.55 -1.36 1.73 -0.37 0.98 0.00 0.00 173.24 174.77 1dqk h VAL 79 N 2.05 0.00 -0.42 5.02 -1.51 -1.98 -0.09 116.25 119.32 1dqk h VAL 79 Ca -0.22 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1dqk h VAL 79 Cb 1.25 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1dqk h VAL 79 CO 0.28 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.21 1dqk n ASN 80 N -2.33 2.41 0.00 4.19 3.02 -1.26 -5.04 115.26 116.26 1dqk n ASN 80 Ca -0.01 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1dqk n ASN 80 Cb 0.08 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.24 1.50 3.76 7.41 0.00 -0.05 -4.91 105.19 114.14 1dqk n GLY 81 Ca 0.16 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.59 3.39 -1.41 1.61 0.04 -1.26 -2.52 135.00 133.26 1dqk s PRO 82 Ca 0.00 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 1dqk s PRO 82 Cb 0.00 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.28 1dqk s PRO 82 CO 0.00 -0.92 0.82 0.09 0.04 0.00 0.00 177.00 177.03 1dqk n ASN 83 N -0.84 -2.84 0.00 6.66 5.03 -0.96 -4.89 115.26 117.42 1dqk n ASN 83 Ca 0.09 -0.80 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1dqk n ASN 83 Cb 0.47 -3.96 0.00 0.00 -1.02 0.00 0.00 39.78 35.26 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 -4.48 0.00 0.29 3.41 -2.24 0.13 -4.79 114.28 106.61 1dqk n THR 84 Ca -0.14 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1dqk n THR 84 Cb 0.61 1.14 0.21 0.00 -2.10 0.00 0.00 70.33 70.19 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 -1.26 3.42 4.64 -1.20 -3.47 113.55 115.68 1dqk h SER 85 Ca 0.00 -0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1dqk h SER 85 Cb 0.07 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.05 1dqk h SER 85 CO 0.00 0.00 -0.36 -0.67 -0.87 0.00 0.00 176.83 174.93 1dqk n ASP 86 N -2.95 -5.14 -3.98 4.97 4.64 -1.26 -4.97 116.55 107.85 1dqk n ASP 86 Ca 0.04 0.33 -0.31 0.00 -1.38 0.00 0.00 54.79 53.47 1dqk n ASP 86 Cb 0.51 -4.21 -0.15 0.00 -1.04 0.00 0.00 41.12 36.23 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 -2.71 1.73 -0.02 5.18 1.01 -1.26 -5.05 120.40 119.28 1dqk s VAL 87 Ca 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.63 1dqk s VAL 87 Cb 0.00 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1dqk s VAL 87 CO 0.00 -0.10 -0.10 -0.31 0.00 0.00 0.00 175.10 174.59 1dqk s TYR 88 N 1.30 0.95 -0.33 5.22 1.51 -1.26 -1.64 117.35 123.10 1dqk s TYR 88 Ca -0.06 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1dqk s TYR 88 Cb -0.19 -0.65 -0.00 0.00 -0.11 0.00 0.00 41.96 41.01 1dqk s TYR 88 CO -0.06 -0.06 0.19 0.99 -1.11 0.00 0.00 175.55 175.50 1dqk s THR 89 N -0.03 4.81 0.35 -0.71 2.01 -0.06 -4.96 115.64 117.05 1dqk s THR 89 Ca 0.00 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 1dqk s THR 89 Cb -0.06 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1dqk s THR 89 CO 0.00 -0.01 1.13 -1.61 -0.69 0.00 0.00 174.62 173.45 1dqk s GLU 90 N 1.64 4.30 -0.78 4.92 0.41 -1.26 -4.82 118.70 123.10 1dqk s GLU 90 Ca 0.05 1.80 -0.05 0.00 -0.41 0.00 0.00 54.97 56.35 1dqk s GLU 90 Cb -0.17 -2.86 -0.07 0.00 -1.78 0.00 0.00 34.13 29.24 1dqk s GLU 90 CO 0.08 -0.09 2.18 -0.35 -0.49 0.00 0.00 175.26 176.58 1dqk n PRO 91 N 0.49 1.98 -4.10 0.39 -0.04 -1.26 -4.81 135.00 127.66 1dqk n PRO 91 Ca 0.02 -1.33 -0.31 0.00 -0.04 0.00 0.00 63.50 61.84 1dqk n PRO 91 Cb 0.46 -2.35 -0.16 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.09 1.76 -0.03 0.52 1.01 -1.26 -1.83 121.20 124.46 1dqk s ILE 92 Ca 0.40 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1dqk s ILE 92 Cb 0.12 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1dqk s ILE 92 CO -0.03 0.49 -0.24 0.00 0.00 0.00 0.00 174.94 175.16 1dqk s ALA 93 N 1.37 2.02 -0.05 9.38 0.00 0.23 -4.99 121.76 129.73 1dqk s ALA 93 Ca 0.04 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1dqk s ALA 93 Cb -0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1dqk s ALA 93 CO -0.11 0.47 -0.20 -0.47 0.00 0.00 0.00 175.76 175.45 1dqk s TYR 94 N -0.47 1.98 -0.05 0.00 5.04 -1.26 0.27 117.35 122.87 1dqk s TYR 94 Ca 0.06 -0.56 0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1dqk s TYR 94 Cb -0.10 -1.32 0.02 0.00 0.35 0.00 0.00 41.96 40.91 1dqk s TYR 94 CO 0.00 -0.17 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.89 1dqk s PHE 95 N -0.09 1.12 -0.33 4.97 0.40 0.79 -4.99 117.98 119.86 1dqk s PHE 95 Ca -0.03 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1dqk s PHE 95 Cb -0.12 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.56 1dqk s PHE 95 CO 0.02 -0.22 0.15 0.08 0.70 0.00 0.00 175.22 175.95 1dqk s VAL 96 N 0.70 4.43 -0.13 -0.44 1.01 -1.26 -0.15 120.40 124.55 1dqk s VAL 96 Ca -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1dqk s VAL 96 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1dqk s VAL 96 CO 0.02 -0.02 -0.10 -0.22 0.00 0.00 0.00 175.10 174.78 1dqk s LEU 97 N 1.56 2.88 -0.40 3.92 2.96 0.31 -4.97 118.68 124.95 1dqk s LEU 97 Ca 0.03 -0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 1dqk s LEU 97 Cb -0.18 -1.66 0.05 0.00 0.50 0.00 0.00 46.19 44.90 1dqk s LEU 97 CO 0.05 0.18 0.25 -0.75 -1.32 0.00 0.00 176.35 174.76 1dqk s LYS 98 N 0.29 2.77 -0.08 1.98 2.20 -1.26 0.52 119.74 126.16 1dqk s LYS 98 Ca -0.08 -1.23 -0.30 0.00 -0.36 0.00 0.00 55.97 54.00 1dqk s LYS 98 Cb -0.15 -3.80 0.10 0.00 -1.51 0.00 0.00 37.83 32.47 1dqk s LYS 98 CO 0.05 -0.82 0.87 -0.08 -0.36 0.00 0.00 175.35 175.00 1dqk s THR 99 N 1.53 0.00 -1.08 3.43 -1.32 -0.37 -5.02 115.64 112.80 1dqk s THR 99 Ca 0.02 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.60 1dqk s THR 99 Cb -0.21 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.91 1dqk s THR 99 CO 0.05 0.00 0.92 0.29 -2.21 0.00 0.00 174.62 173.67 1dqk n LYS 100 N 0.52 1.05 -2.12 7.08 5.02 -1.26 -4.58 118.16 123.87 1dqk n LYS 100 Ca -0.13 -1.32 -0.28 0.00 -2.02 0.00 0.00 58.31 54.56 1dqk n LYS 100 Cb 0.59 -1.20 0.06 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.85 2.53 0.36 1.97 1.02 -1.26 -5.10 119.74 118.41 1dqk s LYS 101 Ca 0.14 0.06 0.07 0.00 0.02 0.00 0.00 55.97 56.26 1dqk s LYS 101 Cb 0.09 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 1dqk s LYS 101 CO 0.12 -1.09 -0.02 0.15 -0.92 0.00 0.00 175.35 173.59 1dqk s LYS 102 N -5.26 1.81 0.00 1.68 1.02 -1.26 -5.00 119.74 112.73 1dqk s LYS 102 Ca 0.58 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1dqk s LYS 102 Cb -0.11 -1.46 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1dqk s LYS 102 CO 0.47 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1dqk n GLY 103 N -0.82 -0.49 3.13 -3.33 0.00 -0.87 -0.07 105.19 102.74 1dqk n GLY 103 Ca -0.05 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 1.89 -0.14 1.61 2.20 -0.56 0.34 119.74 123.08 1dqk s LYS 104 Ca 0.00 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.94 1dqk s LYS 104 Cb 0.00 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.67 1dqk s LYS 104 CO 0.00 0.22 0.06 -0.51 -0.36 0.00 0.00 175.35 174.77 1dqk s LEU 105 N 0.11 3.90 0.05 5.43 1.43 0.09 -1.16 118.68 128.54 1dqk s LEU 105 Ca -0.06 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1dqk s LEU 105 Cb -0.12 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1dqk s LEU 105 CO 0.03 0.30 -0.25 -0.31 0.23 0.00 0.00 176.35 176.35 1dqk s TYR 106 N -0.37 2.15 -0.05 0.29 1.51 -0.12 -1.20 117.35 119.56 1dqk s TYR 106 Ca 0.09 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1dqk s TYR 106 Cb -0.12 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1dqk s TYR 106 CO 0.02 0.14 -0.21 0.00 -1.11 0.00 0.00 175.55 174.38 1dqk s ALA 107 N -0.84 1.87 -0.11 3.71 0.00 0.06 -0.51 121.76 125.93 1dqk s ALA 107 Ca 0.11 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1dqk s ALA 107 Cb -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1dqk s ALA 107 CO 0.02 0.35 -0.11 -1.17 0.00 0.00 0.00 175.76 174.86 1dqk s LEU 108 N -0.08 1.48 0.19 0.00 2.96 -0.12 -2.17 118.68 120.94 1dqk s LEU 108 Ca -0.03 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1dqk s LEU 108 Cb -0.13 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1dqk s LEU 108 CO 0.03 -0.05 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.90 1dqk s SER 109 N 1.34 2.68 -0.06 3.68 1.04 0.12 -0.25 113.70 122.26 1dqk s SER 109 Ca -0.01 -0.95 -0.00 0.00 0.48 0.00 0.00 55.95 55.48 1dqk s SER 109 Cb -0.14 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.85 1dqk s SER 109 CO -0.06 -0.09 -0.02 -0.47 0.98 0.00 0.00 173.24 173.58 1dqk s TYR 110 N -2.51 0.74 -0.03 5.02 5.04 -1.05 -0.18 117.35 124.39 1dqk s TYR 110 Ca 0.20 -0.22 -0.10 0.00 -2.44 0.00 0.00 57.07 54.51 1dqk s TYR 110 Cb -0.03 -0.76 -0.05 0.00 0.35 0.00 0.00 41.96 41.47 1dqk s TYR 110 CO 0.07 -0.28 0.29 0.00 -1.34 0.00 0.00 175.55 174.30 1dqk h ASN 112 N 4.54 0.00 0.00 0.00 -1.07 -1.59 -3.15 115.58 114.30 1dqk h ASN 112 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.85 1dqk h ASN 112 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1dqk h ASN 112 CO 0.62 0.00 -0.09 2.30 0.07 0.00 0.00 177.43 180.33 1dqk n ILE 113 N -2.49 0.00 -0.81 6.14 -5.35 -1.26 -4.82 119.36 110.78 1dqk n ILE 113 Ca -0.00 -0.21 0.08 0.00 -0.27 0.00 0.00 62.75 62.34 1dqk n ILE 113 Cb 0.13 0.87 0.25 0.00 -1.74 0.00 0.00 39.64 39.15 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 -0.57 0.91 -4.54 4.28 8.25 -1.22 -5.10 115.22 117.23 1dqk n HIS 114 Ca 0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 1dqk n HIS 114 Cb 0.00 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.20 -0.15 3.83 -1.41 0.00 -1.19 -4.79 105.19 101.27 1dqk n GLY 115 Ca 0.20 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 4.31 0.02 0.99 1.43 -1.25 -1.64 118.68 122.53 1dqk s LEU 116 Ca 0.00 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1dqk s LEU 116 Cb 0.00 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 1dqk s LEU 116 CO 0.00 0.03 -0.04 0.26 0.23 0.00 0.00 176.35 176.83 1dqk s TRP 117 N -1.56 0.39 0.23 0.29 0.52 0.75 -1.37 118.94 118.20 1dqk s TRP 117 Ca 0.42 -0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.21 1dqk s TRP 117 Cb -0.15 -0.25 -0.05 0.00 -1.15 0.00 0.00 33.47 31.87 1dqk s TRP 117 CO 0.20 -0.09 0.10 -1.83 0.02 0.00 0.00 176.95 175.36 1dqk s GLU 118 N -0.98 1.31 0.01 4.98 -1.05 -0.37 0.15 118.70 122.76 1dqk s GLU 118 Ca -0.08 -1.70 -0.29 0.00 -0.15 0.00 0.00 54.97 52.76 1dqk s GLU 118 Cb -0.07 -0.05 0.10 0.00 -0.44 0.00 0.00 34.13 33.67 1dqk s GLU 118 CO -0.00 -0.32 1.00 1.21 0.95 0.00 0.00 175.26 178.10 1dqk s ASN 119 N -3.25 -0.24 0.14 0.83 2.47 -0.92 -4.53 114.94 109.45 1dqk s ASN 119 Ca 0.37 -0.14 -0.18 0.00 0.42 0.00 0.00 52.86 53.34 1dqk s ASN 119 Cb 0.07 0.35 0.04 0.00 -1.45 0.00 0.00 41.25 40.27 1dqk s ASN 119 CO 0.12 -0.61 0.46 -1.83 -3.72 0.00 0.00 177.10 171.52 1dqk s GLU 120 N -2.98 1.16 -0.01 0.43 -1.05 -1.26 -0.76 118.70 114.23 1dqk s GLU 120 Ca 0.09 -0.69 -0.20 0.00 -0.15 0.00 0.00 54.97 54.01 1dqk s GLU 120 Cb -0.00 0.50 0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1dqk s GLU 120 CO -0.04 -0.47 0.44 0.54 0.95 0.00 0.00 175.26 176.67 1dqk s VAL 121 N -3.81 0.04 0.08 1.83 0.11 -0.34 -4.99 120.40 113.32 1dqk s VAL 121 Ca 0.04 -0.34 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 1dqk s VAL 121 Cb 0.01 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1dqk s VAL 121 CO -0.10 -0.19 0.93 -0.89 -3.33 0.00 0.00 175.10 171.52 1dqk s THR 122 N -1.57 4.60 -0.56 5.04 2.01 -1.26 -0.73 115.64 123.17 1dqk s THR 122 Ca -0.11 1.99 -0.18 0.00 0.31 0.00 0.00 61.69 63.70 1dqk s THR 122 Cb -0.03 -4.29 0.10 0.00 0.01 0.00 0.00 72.50 68.30 1dqk s THR 122 CO 0.04 0.30 0.61 -0.22 -0.69 0.00 0.00 174.62 174.66 1dqk s LEU 123 N 0.16 5.59 0.00 4.42 2.96 0.15 -4.89 118.68 127.07 1dqk s LEU 123 Ca 0.46 -1.46 0.32 0.00 -0.22 0.00 0.00 54.13 53.23 1dqk s LEU 123 Cb -0.22 -2.28 1.88 0.00 0.50 0.00 0.00 46.19 46.06 1dqk s LEU 123 CO 0.28 -0.98 2.21 -0.62 -1.32 0.00 0.00 176.35 175.93