#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 0.57 0.00 2.02 2.10 -2.04 -0.96 117.51 119.21 1dqk h ILE 2 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1dqk h ILE 2 Cb 0.00 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1dqk h ILE 2 CO 0.00 0.00 0.03 0.77 -1.08 0.00 0.00 178.15 177.87 1dqk h SER 3 N 0.00 0.00 0.58 2.19 4.64 -2.05 0.76 113.55 119.68 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 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 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 -3.02 0.13 0.00 4.77 0.28 -0.36 -2.35 120.64 120.09 1dqk n GLU 4 Ca -0.03 0.12 0.06 0.00 -0.16 0.00 0.00 57.16 57.15 1dqk n GLU 4 Cb 0.09 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.50 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 -1.41 0.00 -3.76 3.84 -2.24 0.26 -4.96 114.28 106.01 1dqk n THR 5 Ca 0.07 -0.47 -0.36 0.00 -2.27 0.00 0.00 64.05 61.02 1dqk n THR 5 Cb 0.21 1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.08 5.20 0.11 2.28 1.01 -0.99 -3.80 121.20 123.94 1dqk s ILE 6 Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1dqk s ILE 6 Cb 0.09 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1dqk s ILE 6 CO 0.18 0.40 0.13 -0.13 0.00 0.00 0.00 174.94 175.52 1dqk s ARG 7 N 0.73 3.02 0.27 2.79 0.52 -0.24 -4.95 118.95 121.08 1dqk s ARG 7 Ca 0.07 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 1dqk s ARG 7 Cb -0.13 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1dqk s ARG 7 CO 0.02 0.54 0.18 -1.54 0.02 0.00 0.00 175.30 174.52 1dqk s SER 8 N -2.69 1.02 0.00 0.23 1.04 -1.26 -1.16 113.70 110.87 1dqk s SER 8 Ca 0.31 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1dqk s SER 8 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1dqk s SER 8 CO 0.24 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1dqk n GLY 9 N -0.47 -1.37 3.66 7.32 0.00 -1.26 -5.02 105.19 108.04 1dqk n GLY 9 Ca 0.03 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1dqk n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dqk s ASP 10 N -3.63 7.03 0.58 1.61 -0.00 -1.26 -4.91 116.67 116.08 1dqk s ASP 10 Ca 0.00 1.45 0.36 0.00 -0.00 0.00 0.00 52.55 54.35 1dqk s ASP 10 Cb 0.00 -2.54 1.65 0.00 -0.00 0.00 0.00 42.92 42.03 1dqk s ASP 10 CO 0.00 -0.73 2.09 4.11 -0.00 0.00 0.00 175.17 180.65 1dqk h TRP 11 N 7.79 0.00 0.00 4.23 5.08 -1.90 0.38 115.95 131.53 1dqk h TRP 11 Ca -0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.75 1dqk h TRP 11 Cb 1.07 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 1dqk h TRP 11 CO 0.78 0.02 0.00 1.63 -1.28 0.00 0.00 178.44 179.59 1dqk n LYS 12 N -3.16 0.03 0.00 0.12 5.02 -1.26 -3.87 118.16 115.04 1dqk n LYS 12 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1dqk n LYS 12 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1dqk n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dqk n GLY 13 N 1.27 0.20 3.08 0.72 0.00 -0.78 -4.95 105.19 104.73 1dqk n GLY 13 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.22 1.96 0.00 1.61 2.56 0.06 -4.97 118.70 118.69 1dqk s GLU 14 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 54.97 53.36 1dqk s GLU 14 Cb 0.00 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.94 1dqk s GLU 14 CO 0.00 -0.80 0.18 0.36 -0.56 0.00 0.00 175.26 174.44 1dqk n LYS 15 N 4.43 0.31 -0.01 4.30 0.00 -1.26 -2.31 118.16 123.62 1dqk n LYS 15 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.24 1dqk n LYS 15 Cb 0.42 -1.18 -0.02 0.00 -0.00 0.00 0.00 35.03 34.25 1dqk n LYS 15 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1dqk n HIS 16 N 0.42 0.00 -1.68 5.58 8.25 -1.26 -4.04 115.22 122.49 1dqk n HIS 16 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 1dqk n HIS 16 Cb 0.09 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.28 0.16 -2.38 1.59 0.31 -0.98 -4.80 118.33 109.96 1dqk n VAL 17 Ca -0.04 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 1dqk n VAL 17 Cb 0.57 -1.72 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 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 1.80 4.38 -0.22 5.55 0.04 -1.26 -4.49 135.00 140.80 1dqk s PRO 18 Ca 0.82 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.53 1dqk s PRO 18 Cb -0.64 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.44 1dqk s PRO 18 CO 0.40 -0.36 0.26 0.08 0.04 0.00 0.00 177.00 177.42 1dqk s VAL 19 N 1.50 5.30 -0.17 -0.36 1.01 0.72 -4.60 120.40 123.79 1dqk s VAL 19 Ca 0.59 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.92 1dqk s VAL 19 Cb -0.29 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1dqk s VAL 19 CO 0.27 0.31 0.00 -0.63 0.00 0.00 0.00 175.10 175.06 1dqk s ILE 20 N 1.11 4.19 0.01 2.22 1.01 -1.26 -1.66 121.20 126.83 1dqk s ILE 20 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1dqk s ILE 20 Cb -0.14 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 1dqk s ILE 20 CO 0.06 0.47 -0.04 -1.61 0.00 0.00 0.00 174.94 173.82 1dqk s GLU 21 N 0.48 0.30 0.20 2.79 2.02 0.05 -4.96 118.70 119.58 1dqk s GLU 21 Ca -0.01 -0.36 -0.05 0.00 0.02 0.00 0.00 54.97 54.57 1dqk s GLU 21 Cb -0.14 -0.15 -0.03 0.00 0.10 0.00 0.00 34.13 33.92 1dqk s GLU 21 CO 0.02 0.03 0.23 1.52 0.02 0.00 0.00 175.26 177.08 1dqk s TYR 22 N -0.68 0.81 -0.06 1.61 -0.85 -1.26 0.26 117.35 117.18 1dqk s TYR 22 Ca -0.05 -1.10 -0.03 0.00 -0.52 0.00 0.00 57.07 55.36 1dqk s TYR 22 Cb -0.05 -0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.03 1dqk s TYR 22 CO -0.00 -0.73 0.15 -2.00 -1.52 0.00 0.00 175.55 171.45 1dqk s GLU 23 N -4.08 0.12 -0.30 -3.49 2.12 -0.60 -5.00 118.70 107.46 1dqk s GLU 23 Ca 0.30 0.33 -0.09 0.00 0.36 0.00 0.00 54.97 55.87 1dqk s GLU 23 Cb 0.05 -0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 1dqk s GLU 23 CO 0.08 -0.12 0.13 1.03 -0.54 0.00 0.00 175.26 175.84 1dqk s ARG 24 N 0.87 3.29 -0.83 4.30 0.52 -1.26 -1.17 118.95 124.66 1dqk s ARG 24 Ca -0.07 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1dqk s ARG 24 Cb -0.08 -3.50 0.20 0.00 0.52 0.00 0.00 34.95 32.09 1dqk s ARG 24 CO -0.04 -0.41 0.68 -2.00 0.02 0.00 0.00 175.30 173.55 1dqk s GLU 25 N 1.58 3.02 5.28 3.54 2.12 0.81 -5.00 118.70 130.06 1dqk s GLU 25 Ca 0.04 -3.25 0.00 0.00 0.36 0.00 0.00 54.97 52.12 1dqk s GLU 25 Cb -0.17 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.41 1dqk s GLU 25 CO 0.05 -1.26 0.00 0.41 -0.54 0.00 0.00 175.26 173.92 1dqk n GLY 26 N 2.31 1.38 0.02 -1.50 0.00 -1.26 -2.02 105.19 104.13 1dqk n GLY 26 Ca 0.20 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.47 1dqk n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dqk n GLU 27 N 0.00 0.15 -3.87 1.61 2.13 -1.26 -4.90 120.64 114.50 1dqk n GLU 27 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.46 1dqk n GLU 27 Cb 0.00 -1.55 -0.06 0.00 0.27 0.00 0.00 31.44 30.09 1dqk n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1dqk s LEU 28 N -3.51 4.36 -0.23 4.31 1.43 -0.85 -1.36 118.68 122.82 1dqk s LEU 28 Ca 0.07 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1dqk s LEU 28 Cb 0.16 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.35 1dqk s LEU 28 CO 0.78 0.38 -0.15 -0.69 0.23 0.00 0.00 176.35 176.90 1dqk s VAL 29 N -0.86 2.12 -0.35 -1.59 1.01 0.23 -0.13 120.40 120.84 1dqk s VAL 29 Ca 0.14 -1.35 -0.16 0.00 0.00 0.00 0.00 61.98 60.61 1dqk s VAL 29 Cb -0.12 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1dqk s VAL 29 CO 0.03 0.21 0.40 -0.54 0.00 0.00 0.00 175.10 175.20 1dqk s LYS 30 N 1.18 3.53 -0.12 2.72 1.02 -0.32 0.10 119.74 127.86 1dqk s LYS 30 Ca -0.03 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1dqk s LYS 30 Cb -0.17 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 1dqk s LYS 30 CO -0.08 -0.58 -0.06 0.08 -0.92 0.00 0.00 175.35 173.79 1dqk s VAL 31 N 2.10 3.72 -0.10 3.17 1.01 0.10 -1.56 120.40 128.85 1dqk s VAL 31 Ca 0.13 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1dqk s VAL 31 Cb -0.16 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1dqk s VAL 31 CO 0.12 0.54 -0.21 -0.75 0.00 0.00 0.00 175.10 174.80 1dqk s LYS 32 N -0.08 3.04 -0.03 2.72 2.20 0.14 -0.44 119.74 127.28 1dqk s LYS 32 Ca 0.01 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1dqk s LYS 32 Cb -0.13 -2.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.82 1dqk s LYS 32 CO 0.03 0.24 -0.08 0.08 -0.36 0.00 0.00 175.35 175.26 1dqk s VAL 33 N 0.21 0.77 -0.04 4.02 1.01 0.42 -0.77 120.40 126.02 1dqk s VAL 33 Ca -0.13 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1dqk s VAL 33 Cb -0.16 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1dqk s VAL 33 CO 0.07 0.25 0.35 0.00 0.00 0.00 0.00 175.10 175.77 1dqk s GLN 34 N 0.38 0.66 -0.17 2.72 -2.07 -0.66 -0.13 119.66 120.39 1dqk s GLN 34 Ca -0.06 -0.04 -0.04 0.00 -1.82 0.00 0.00 55.36 53.40 1dqk s GLN 34 Cb -0.11 0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1dqk s GLN 34 CO 0.01 -0.17 -0.04 0.08 -1.32 0.00 0.00 175.29 173.84 1dqk s VAL 35 N -1.06 3.75 0.00 3.63 1.01 -1.07 -0.20 120.40 126.45 1dqk s VAL 35 Ca -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1dqk s VAL 35 Cb -0.04 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1dqk s VAL 35 CO 0.04 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1dqk n GLY 36 N 3.79 1.43 0.35 4.51 0.00 -1.26 -4.61 105.19 109.40 1dqk n GLY 36 Ca -0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.82 0.17 1.61 3.64 -1.90 -2.49 116.57 116.79 1dqk h LYS 37 Ca 0.00 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1dqk h LYS 37 Cb 0.08 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1dqk h LYS 37 CO 0.00 -0.50 -0.08 1.49 -2.27 0.00 0.00 179.45 178.09 1dqk h GLU 38 N -1.10 -0.22 -3.31 1.90 4.57 -1.96 -3.40 114.58 111.06 1dqk h GLU 38 Ca -0.09 0.01 -0.65 0.00 -1.18 0.00 0.00 59.36 57.46 1dqk h GLU 38 Cb 0.69 0.05 -0.40 0.00 -0.16 0.00 0.00 28.75 28.93 1dqk h GLU 38 CO 0.14 0.20 -0.53 0.42 -1.18 0.00 0.00 179.01 178.06 1dqk s ILE 39 N -3.43 2.99 0.19 2.32 -1.09 -1.25 -5.08 121.20 115.86 1dqk s ILE 39 Ca -0.12 -3.61 -0.14 0.00 -2.23 0.00 0.00 60.65 54.54 1dqk s ILE 39 Cb 0.00 -3.00 -0.10 0.00 -1.58 0.00 0.00 42.46 37.79 1dqk s ILE 39 CO 0.47 -0.90 0.15 -2.65 -1.23 0.00 0.00 174.94 170.78 1dqk n PRO 40 N 2.75 0.00 -4.29 2.79 -0.02 -0.94 -4.48 135.00 130.80 1dqk n PRO 40 Ca 0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 1dqk n PRO 40 Cb 0.34 -0.59 -0.10 0.00 -0.02 0.00 0.00 33.50 33.13 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 -0.84 3.17 0.50 6.00 2.46 -1.26 -4.95 115.29 120.36 1dqk s HIS 41 Ca 0.36 0.09 -0.20 0.00 0.47 0.00 0.00 55.06 55.78 1dqk s HIS 41 Cb -0.44 -1.88 -0.10 0.00 -0.13 0.00 0.00 32.58 30.03 1dqk s HIS 41 CO 0.36 0.33 0.58 -2.30 -2.47 0.00 0.00 174.74 171.24 1dqk n PRO 42 N 2.66 0.63 -3.24 2.88 -0.02 -1.26 -4.95 135.00 131.69 1dqk n PRO 42 Ca -0.18 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.31 1dqk n PRO 42 Cb 0.53 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 1dqk n PRO 42 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1dqk n ASN 43 N 0.78 -0.89 -4.56 2.55 2.85 -1.21 -4.43 115.26 110.36 1dqk n ASN 43 Ca 0.11 -2.55 -0.26 0.00 -0.11 0.00 0.00 54.58 51.78 1dqk n ASN 43 Cb 0.44 -0.14 -0.11 0.00 1.24 0.00 0.00 39.78 41.21 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 -0.03 1.74 0.47 -0.44 -4.23 -0.16 -4.86 115.64 108.12 1dqk s THR 44 Ca 0.33 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 58.97 1dqk s THR 44 Cb 0.07 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.30 1dqk s THR 44 CO -0.16 -0.02 2.07 0.74 -0.54 0.00 0.00 174.62 176.70 1dqk h THR 45 N 1.91 0.98 0.00 3.99 2.02 -1.76 -2.63 112.91 117.41 1dqk h THR 45 Ca -0.43 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 66.52 1dqk h THR 45 Cb 1.24 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1dqk h THR 45 CO 0.76 0.05 -1.36 -0.62 0.37 0.00 0.00 175.52 174.72 1dqk n GLU 46 N -4.49 0.62 -3.58 6.66 4.71 -1.26 -4.84 120.64 118.46 1dqk n GLU 46 Ca 0.03 0.21 -0.25 0.00 -0.01 0.00 0.00 57.16 57.14 1dqk n GLU 46 Cb 0.20 -1.81 -0.16 0.00 -1.01 0.00 0.00 31.44 28.66 1dqk n GLU 46 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1dqk s HIS 47 N -2.98 0.12 0.16 -0.32 5.04 -0.99 -4.84 115.29 111.48 1dqk s HIS 47 Ca -0.03 -0.29 -0.22 0.00 -1.54 0.00 0.00 55.06 52.99 1dqk s HIS 47 Cb 0.09 -0.66 0.06 0.00 0.04 0.00 0.00 32.58 32.11 1dqk s HIS 47 CO 0.81 -0.57 0.56 -3.38 -2.34 0.00 0.00 174.74 169.83 1dqk s HIS 48 N 2.17 -0.46 -0.15 3.88 -3.43 -1.25 -0.99 115.29 115.05 1dqk s HIS 48 Ca 0.04 0.22 -0.26 0.00 -0.80 0.00 0.00 55.06 54.26 1dqk s HIS 48 Cb -0.16 0.50 -0.02 0.00 -1.43 0.00 0.00 32.58 31.48 1dqk s HIS 48 CO -0.13 -0.83 0.85 0.42 -2.00 0.00 0.00 174.74 173.05 1dqk s ILE 49 N -3.77 4.88 0.03 -5.38 -1.09 -1.26 -1.21 121.20 113.39 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 -0.12 0.04 0.99 0.03 -1.23 0.00 0.00 174.94 174.65 1dqk h ARG 50 N 7.24 0.47 -2.09 2.79 2.47 -1.10 -3.42 114.38 120.74 1dqk h ARG 50 Ca -0.31 -0.81 0.22 0.00 -1.26 0.00 0.00 59.98 57.82 1dqk h ARG 50 Cb 1.14 0.30 -0.09 0.00 -1.65 0.00 0.00 29.97 29.67 1dqk h ARG 50 CO 0.83 1.38 0.58 1.52 0.56 0.00 0.00 179.97 184.85 1dqk s TYR 51 N -2.61 -0.11 -0.02 3.04 -0.85 -1.25 -0.95 117.35 114.61 1dqk s TYR 51 Ca -0.09 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1dqk s TYR 51 Cb 0.05 0.61 0.02 0.00 0.38 0.00 0.00 41.96 43.02 1dqk s TYR 51 CO 0.92 -0.67 -0.00 0.42 -1.52 0.00 0.00 175.55 174.70 1dqk s ILE 52 N -3.05 0.15 0.09 -3.49 1.01 -0.48 -2.66 121.20 112.77 1dqk s ILE 52 Ca 0.13 0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.92 1dqk s ILE 52 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1dqk s ILE 52 CO 0.01 0.11 -0.26 -1.61 0.00 0.00 0.00 174.94 173.18 1dqk s GLU 53 N 0.68 1.60 -0.08 2.79 2.02 0.41 -1.03 118.70 125.08 1dqk s GLU 53 Ca -0.07 -1.24 0.04 0.00 0.02 0.00 0.00 54.97 53.73 1dqk s GLU 53 Cb -0.10 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1dqk s GLU 53 CO -0.01 0.48 -0.21 -1.17 0.02 0.00 0.00 175.26 174.37 1dqk s LEU 54 N -1.73 1.97 0.23 1.80 2.96 -0.64 -1.31 118.68 121.96 1dqk s LEU 54 Ca 0.13 -0.47 0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1dqk s LEU 54 Cb -0.10 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 1dqk s LEU 54 CO 0.05 0.14 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.71 1dqk s TYR 55 N 0.30 2.11 -0.08 5.38 1.51 0.40 0.03 117.35 127.01 1dqk s TYR 55 Ca -0.14 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.49 1dqk s TYR 55 Cb -0.16 -0.98 0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1dqk s TYR 55 CO 0.06 0.54 0.10 0.12 -1.11 0.00 0.00 175.55 175.26 1dqk s PHE 56 N -2.29 -0.02 -0.42 2.71 5.36 0.49 -1.24 117.98 122.56 1dqk s PHE 56 Ca 0.24 0.31 -0.08 0.00 -0.96 0.00 0.00 56.93 56.44 1dqk s PHE 56 Cb -0.05 -0.43 0.09 0.00 -0.34 0.00 0.00 43.02 42.29 1dqk s PHE 56 CO 0.11 -0.27 0.26 -1.17 -1.46 0.00 0.00 175.22 172.69 1dqk s LEU 57 N 2.21 5.23 0.60 6.12 2.96 -0.24 -1.27 118.68 134.29 1dqk s LEU 57 Ca 0.04 -1.64 -0.20 0.00 -0.22 0.00 0.00 54.13 52.11 1dqk s LEU 57 Cb -0.13 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1dqk s LEU 57 CO -0.05 -0.56 1.33 -2.84 -1.32 0.00 0.00 176.35 172.91 1dqk s PRO 58 N 1.37 2.80 0.10 0.98 0.02 -1.26 -1.51 135.00 137.51 1dqk s PRO 58 Ca 0.04 2.15 -0.34 0.00 0.02 0.00 0.00 61.00 62.86 1dqk s PRO 58 Cb -0.24 -2.03 -0.14 0.00 0.02 0.00 0.00 34.50 32.12 1dqk s PRO 58 CO 0.01 -1.43 1.61 -1.91 -0.33 0.00 0.00 177.00 174.95 1dqk n GLU 59 N -1.52 2.05 -0.94 5.54 2.13 0.12 -1.81 120.64 126.21 1dqk n GLU 59 Ca 0.13 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1dqk n GLU 59 Cb 0.47 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.67 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 3.52 0.73 3.97 8.31 0.00 -1.26 -5.00 105.19 115.46 1dqk n GLY 60 Ca 0.18 0.00 -0.21 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 -0.21 3.34 0.01 1.61 2.02 -0.75 -5.04 118.70 119.68 1dqk s GLU 61 Ca 0.00 -0.80 0.22 0.00 0.02 0.00 0.00 54.97 54.41 1dqk s GLU 61 Cb 0.00 -2.85 -0.11 0.00 0.10 0.00 0.00 34.13 31.28 1dqk s GLU 61 CO 0.00 0.29 0.92 0.09 0.02 0.00 0.00 175.26 176.58 1dqk n ASN 62 N -1.52 0.72 -4.07 -0.19 3.02 -1.26 -4.86 115.26 107.10 1dqk n ASN 62 Ca -0.06 -0.60 -0.29 0.00 -0.03 0.00 0.00 54.58 53.59 1dqk n ASN 62 Cb 0.57 1.02 -0.17 0.00 -0.61 0.00 0.00 39.78 40.60 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 -3.12 2.13 0.37 3.10 0.40 -1.26 -5.11 117.98 114.49 1dqk s PHE 63 Ca 0.05 -1.05 -0.25 0.00 -0.60 0.00 0.00 56.93 55.08 1dqk s PHE 63 Cb 0.16 -1.52 -0.09 0.00 0.51 0.00 0.00 43.02 42.07 1dqk s PHE 63 CO 0.84 -0.54 1.05 0.54 0.70 0.00 0.00 175.22 177.81 1dqk s VAL 64 N 1.06 3.74 -0.06 -0.44 0.11 -1.26 -4.70 120.40 118.84 1dqk s VAL 64 Ca -0.04 1.40 0.02 0.00 -2.93 0.00 0.00 61.98 60.42 1dqk s VAL 64 Cb -0.15 -3.75 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 1dqk s VAL 64 CO -0.03 0.07 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.38 1dqk s TYR 65 N -1.58 2.78 -0.16 1.54 1.51 -0.40 -4.94 117.35 116.10 1dqk s TYR 65 Ca 0.55 -0.16 -0.26 0.00 -1.01 0.00 0.00 57.07 56.19 1dqk s TYR 65 Cb -0.23 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1dqk s TYR 65 CO 0.29 0.18 0.86 -1.14 -1.11 0.00 0.00 175.55 174.63 1dqk s GLN 66 N -0.62 4.32 -0.07 -0.62 0.74 -1.26 -0.38 119.66 121.78 1dqk s GLN 66 Ca 0.09 1.08 -0.10 0.00 0.05 0.00 0.00 55.36 56.48 1dqk s GLN 66 Cb -0.11 -3.57 -0.30 0.00 1.10 0.00 0.00 33.01 30.13 1dqk s GLN 66 CO 0.01 -0.33 0.60 0.28 -0.55 0.00 0.00 175.29 175.30 1dqk h VAL 67 N 5.18 0.87 -2.06 1.34 2.07 -0.72 -3.48 116.25 119.44 1dqk h VAL 67 Ca -0.29 -2.47 0.26 0.00 0.82 0.00 0.00 66.70 65.01 1dqk h VAL 67 Cb 1.13 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 33.53 1dqk h VAL 67 CO 0.84 0.87 0.71 -0.83 0.02 0.00 0.00 177.57 179.18 1dqk s GLY 68 N -5.22 -0.18 -0.13 2.17 0.00 -1.04 -4.99 107.32 97.94 1dqk s GLY 68 Ca -0.18 0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.64 1dqk s GLY 68 CO 0.83 1.85 0.30 -1.60 0.00 0.00 0.00 173.10 174.48 1dqk s ARG 69 N -2.45 0.28 -0.14 2.90 3.52 -1.26 -1.62 118.95 120.17 1dqk s ARG 69 Ca 0.19 0.60 0.01 0.00 -0.13 0.00 0.00 55.73 56.40 1dqk s ARG 69 Cb 0.00 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.35 1dqk s ARG 69 CO 0.01 -0.15 -0.17 0.08 -0.81 0.00 0.00 175.30 174.25 1dqk s VAL 70 N 1.20 1.74 -0.15 7.11 1.01 -0.20 -5.01 120.40 126.11 1dqk s VAL 70 Ca -0.09 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1dqk s VAL 70 Cb -0.09 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1dqk s VAL 70 CO -0.09 0.49 0.06 -1.61 0.00 0.00 0.00 175.10 173.95 1dqk s GLU 71 N 1.15 3.63 -0.49 2.72 2.02 -1.26 -1.39 118.70 125.09 1dqk s GLU 71 Ca -0.01 -0.31 -0.13 0.00 0.02 0.00 0.00 54.97 54.53 1dqk s GLU 71 Cb -0.14 -3.11 0.11 0.00 0.10 0.00 0.00 34.13 31.09 1dqk s GLU 71 CO -0.06 0.48 0.39 -0.06 0.02 0.00 0.00 175.26 176.03 1dqk s PHE 72 N -0.22 3.31 -2.20 1.61 0.40 -0.12 -4.96 117.98 115.79 1dqk s PHE 72 Ca 0.08 -1.40 0.23 0.00 -0.60 0.00 0.00 56.93 55.25 1dqk s PHE 72 Cb -0.12 -3.43 0.12 0.00 0.51 0.00 0.00 43.02 40.10 1dqk s PHE 72 CO 0.01 -0.93 1.17 0.25 0.70 0.00 0.00 175.22 176.43 1dqk n THR 73 N 5.09 0.00 -4.31 0.64 -2.24 -1.26 -4.69 114.28 107.52 1dqk n THR 73 Ca -0.11 -0.29 -0.34 0.00 -2.27 0.00 0.00 64.05 61.03 1dqk n THR 73 Cb 0.42 1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 69.72 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 -2.38 2.83 -0.21 6.98 0.00 -1.26 -5.00 121.76 122.72 1dqk s ALA 74 Ca 0.21 -0.97 0.21 0.00 0.00 0.00 0.00 51.96 51.40 1dqk s ALA 74 Cb 0.19 -1.53 0.48 0.00 0.00 0.00 0.00 23.12 22.26 1dqk s ALA 74 CO 0.51 -0.03 1.14 0.72 0.00 0.00 0.00 175.76 178.10 1dqk n HIS 75 N 4.03 1.17 -0.02 0.00 -0.00 -1.24 -0.58 115.22 118.58 1dqk n HIS 75 Ca -0.18 -1.81 0.00 0.00 -0.00 0.00 0.00 57.72 55.74 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 -0.43 2.18 3.77 -1.41 0.00 -0.63 -1.93 105.19 106.73 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 -0.26 4.07 0.28 1.61 1.03 -1.26 0.04 118.70 124.21 1dqk s GLU 77 Ca 0.00 2.23 -0.19 0.00 0.03 0.00 0.00 54.97 57.04 1dqk s GLU 77 Cb 0.00 -2.85 0.02 0.00 -0.80 0.00 0.00 34.13 30.49 1dqk s GLU 77 CO 0.00 -0.44 0.68 -1.54 -1.33 0.00 0.00 175.26 172.64 1dqk s SER 78 N -0.60 -0.19 0.15 0.83 1.04 -0.98 -4.50 113.70 109.45 1dqk s SER 78 Ca 0.55 -0.72 0.12 0.00 0.48 0.00 0.00 55.95 56.37 1dqk s SER 78 Cb -0.40 0.72 0.60 0.00 0.10 0.00 0.00 66.02 67.04 1dqk s SER 78 CO 0.52 -1.34 1.36 1.33 0.98 0.00 0.00 173.24 176.08 1dqk n VAL 79 N -0.45 1.45 0.93 5.02 0.24 -1.26 -0.81 118.33 123.45 1dqk n VAL 79 Ca -0.04 0.56 0.12 0.00 -2.04 0.00 0.00 64.34 62.95 1dqk n VAL 79 Cb 0.60 -1.54 0.28 0.00 -1.47 0.00 0.00 33.84 31.71 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 -1.87 0.47 0.00 -1.34 3.02 -1.26 -5.05 115.26 109.23 1dqk n ASN 80 Ca -0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1dqk n ASN 80 Cb 0.04 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.47 0.88 3.77 7.41 0.00 0.01 -4.98 105.19 113.75 1dqk n GLY 81 Ca 0.05 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.97 4.04 -1.35 1.61 0.04 -1.26 -2.32 135.00 134.79 1dqk s PRO 82 Ca 0.00 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 1dqk s PRO 82 Cb 0.00 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1dqk s PRO 82 CO 0.00 -0.36 0.88 0.09 0.04 0.00 0.00 177.00 177.65 1dqk n ASN 83 N 0.10 -2.82 0.00 6.66 5.03 -0.99 -4.91 115.26 118.33 1dqk n ASN 83 Ca 0.04 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.75 1dqk n ASN 83 Cb 0.46 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.88 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 0.18 3.41 -2.24 0.11 -4.82 114.28 106.48 1dqk n THR 84 Ca -0.18 -0.25 0.07 0.00 -2.27 0.00 0.00 64.05 61.41 1dqk n THR 84 Cb 0.63 1.16 0.12 0.00 -2.10 0.00 0.00 70.33 70.14 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 -1.27 3.42 4.64 -1.21 -3.48 113.55 115.65 1dqk h SER 85 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1dqk h SER 85 Cb 0.08 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 1dqk h SER 85 CO 0.00 0.30 -0.31 -0.67 -0.87 0.00 0.00 176.83 175.28 1dqk n ASP 86 N -3.19 -4.55 -3.92 4.97 4.64 -1.26 -4.99 116.55 108.25 1dqk n ASP 86 Ca 0.03 0.19 -0.30 0.00 -1.38 0.00 0.00 54.79 53.32 1dqk n ASP 86 Cb 0.63 -3.48 -0.16 0.00 -1.04 0.00 0.00 41.12 37.08 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 -2.61 1.46 -0.00 5.18 1.01 -1.26 -5.05 120.40 119.12 1dqk s VAL 87 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.83 1dqk s VAL 87 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1dqk s VAL 87 CO 0.00 -0.12 -0.11 -0.31 0.00 0.00 0.00 175.10 174.56 1dqk s TYR 88 N 1.43 0.99 -0.28 5.22 1.51 -1.26 -1.61 117.35 123.35 1dqk s TYR 88 Ca -0.05 -0.21 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 1dqk s TYR 88 Cb -0.19 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1dqk s TYR 88 CO -0.06 -0.01 0.13 0.99 -1.11 0.00 0.00 175.55 175.48 1dqk s THR 89 N -0.36 4.62 0.34 -0.71 2.01 0.25 -4.96 115.64 116.82 1dqk s THR 89 Ca 0.03 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 1dqk s THR 89 Cb -0.05 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 1dqk s THR 89 CO -0.00 0.21 1.09 -1.61 -0.69 0.00 0.00 174.62 173.62 1dqk s GLU 90 N 1.64 4.38 -1.06 4.92 0.41 -1.26 -4.82 118.70 122.91 1dqk s GLU 90 Ca 0.06 1.70 -0.10 0.00 -0.41 0.00 0.00 54.97 56.22 1dqk s GLU 90 Cb -0.16 -2.88 -0.07 0.00 -1.78 0.00 0.00 34.13 29.24 1dqk s GLU 90 CO 0.06 0.01 2.23 -0.35 -0.49 0.00 0.00 175.26 176.72 1dqk n PRO 91 N 0.57 2.32 -4.00 0.39 -0.04 -1.26 -4.80 135.00 128.18 1dqk n PRO 91 Ca 0.02 -1.75 -0.30 0.00 -0.04 0.00 0.00 63.50 61.42 1dqk n PRO 91 Cb 0.47 -2.67 -0.16 0.00 -0.04 0.00 0.00 33.50 31.09 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 3.48 1.54 -0.07 0.52 1.01 -1.26 -2.60 121.20 123.81 1dqk s ILE 92 Ca 0.49 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1dqk s ILE 92 Cb 0.13 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1dqk s ILE 92 CO -0.01 0.34 -0.20 0.00 0.00 0.00 0.00 174.94 175.07 1dqk s ALA 93 N 1.48 2.40 -0.06 9.38 0.00 0.82 -4.99 121.76 130.78 1dqk s ALA 93 Ca 0.03 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.04 1dqk s ALA 93 Cb -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1dqk s ALA 93 CO -0.10 0.43 -0.21 0.71 0.00 0.00 0.00 175.76 176.59 1dqk s TYR 94 N -0.26 2.52 -0.04 0.00 1.51 -1.26 -0.44 117.35 119.38 1dqk s TYR 94 Ca 0.00 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1dqk s TYR 94 Cb -0.13 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1dqk s TYR 94 CO 0.03 -0.10 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.26 1dqk s PHE 95 N -0.31 0.76 -0.39 2.71 0.40 0.41 -4.99 117.98 116.58 1dqk s PHE 95 Ca 0.01 -0.21 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 1dqk s PHE 95 Cb -0.13 -0.64 0.07 0.00 0.51 0.00 0.00 43.02 42.83 1dqk s PHE 95 CO 0.02 -0.16 0.20 0.08 0.70 0.00 0.00 175.22 176.06 1dqk s VAL 96 N 0.71 4.01 -0.24 -0.44 1.01 -1.26 0.00 120.40 124.20 1dqk s VAL 96 Ca -0.10 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 1dqk s VAL 96 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1dqk s VAL 96 CO 0.00 -0.40 0.10 -0.22 0.00 0.00 0.00 175.10 174.58 1dqk s LEU 97 N 1.40 3.67 -0.45 3.92 2.96 0.12 -4.94 118.68 125.36 1dqk s LEU 97 Ca 0.02 -0.09 -0.17 0.00 -0.22 0.00 0.00 54.13 53.67 1dqk s LEU 97 Cb -0.22 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.53 1dqk s LEU 97 CO 0.02 0.01 0.47 -0.75 -1.32 0.00 0.00 176.35 174.78 1dqk s LYS 98 N 1.34 3.07 -0.13 1.98 2.20 -1.26 0.78 119.74 127.73 1dqk s LYS 98 Ca 0.06 -0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 1dqk s LYS 98 Cb -0.15 -4.03 0.11 0.00 -1.51 0.00 0.00 37.83 32.26 1dqk s LYS 98 CO 0.05 -0.96 0.91 -0.08 -0.36 0.00 0.00 175.35 174.90 1dqk s THR 99 N 2.13 0.00 -1.66 3.43 -1.32 -0.47 -5.02 115.64 112.73 1dqk s THR 99 Ca 0.11 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.72 1dqk s THR 99 Cb -0.19 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.90 1dqk s THR 99 CO 0.12 0.00 0.92 0.29 -2.21 0.00 0.00 174.62 173.73 1dqk n LYS 100 N 0.75 0.96 -2.07 7.08 5.02 -1.26 -4.62 118.16 124.02 1dqk n LYS 100 Ca -0.12 -1.27 -0.30 0.00 -2.02 0.00 0.00 58.31 54.60 1dqk n LYS 100 Cb 0.58 -1.25 0.02 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.17 3.29 0.34 1.97 1.02 -1.26 -5.09 119.74 118.85 1dqk s LYS 101 Ca 0.16 0.48 0.09 0.00 0.02 0.00 0.00 55.97 56.71 1dqk s LYS 101 Cb 0.11 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1dqk s LYS 101 CO 0.18 -0.66 -0.00 0.15 -0.92 0.00 0.00 175.35 174.10 1dqk s LYS 102 N -5.13 2.03 0.00 1.68 1.02 -1.26 -4.98 119.74 113.10 1dqk s LYS 102 Ca 0.54 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.74 1dqk s LYS 102 Cb -0.11 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1dqk s LYS 102 CO 0.51 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 1dqk n GLY 103 N -0.93 -0.56 3.22 -3.33 0.00 -0.77 0.15 105.19 102.95 1dqk n GLY 103 Ca -0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.73 2.04 -0.11 1.61 2.20 -0.57 0.33 119.74 123.51 1dqk s LYS 104 Ca 0.00 -0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1dqk s LYS 104 Cb 0.00 -1.82 -0.03 0.00 -1.51 0.00 0.00 37.83 34.47 1dqk s LYS 104 CO 0.00 0.37 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.83 1dqk s LEU 105 N -0.21 3.42 0.02 5.43 1.43 -0.22 -1.08 118.68 127.46 1dqk s LEU 105 Ca 0.00 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1dqk s LEU 105 Cb -0.11 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1dqk s LEU 105 CO 0.02 0.30 -0.23 -0.31 0.23 0.00 0.00 176.35 176.36 1dqk s TYR 106 N -0.39 1.99 -0.07 0.29 1.51 -0.38 -1.54 117.35 118.77 1dqk s TYR 106 Ca 0.07 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1dqk s TYR 106 Cb -0.12 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1dqk s TYR 106 CO 0.02 0.04 -0.21 0.00 -1.11 0.00 0.00 175.55 174.29 1dqk s ALA 107 N -0.67 2.32 -0.11 3.71 0.00 0.16 -0.45 121.76 126.72 1dqk s ALA 107 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1dqk s ALA 107 Cb -0.09 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.25 1dqk s ALA 107 CO 0.01 0.42 -0.10 -1.17 0.00 0.00 0.00 175.76 174.92 1dqk s LEU 108 N -0.20 1.38 0.16 0.00 2.96 -0.43 -1.98 118.68 120.57 1dqk s LEU 108 Ca -0.02 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 1dqk s LEU 108 Cb -0.13 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 1dqk s LEU 108 CO 0.03 -0.08 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.86 1dqk s SER 109 N 1.47 2.67 -0.13 3.68 1.04 0.62 -0.45 113.70 122.60 1dqk s SER 109 Ca 0.02 -0.84 -0.00 0.00 0.48 0.00 0.00 55.95 55.60 1dqk s SER 109 Cb -0.13 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.86 1dqk s SER 109 CO -0.07 -0.02 -0.07 -0.47 0.98 0.00 0.00 173.24 173.59 1dqk s TYR 110 N -1.96 1.60 0.38 5.02 5.04 -1.09 -0.08 117.35 126.27 1dqk s TYR 110 Ca 0.15 -0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 53.84 1dqk s TYR 110 Cb -0.06 -1.28 -0.04 0.00 0.35 0.00 0.00 41.96 40.92 1dqk s TYR 110 CO 0.06 -0.56 0.66 0.00 -1.34 0.00 0.00 175.55 174.38 1dqk h ASN 112 N 0.92 0.00 0.00 0.00 -1.07 -1.47 -3.26 115.58 110.70 1dqk h ASN 112 Ca -0.48 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 55.84 1dqk h ASN 112 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1dqk h ASN 112 CO 0.63 0.03 0.00 2.30 0.07 0.00 0.00 177.43 180.46 1dqk n ILE 113 N -2.39 0.24 -0.12 6.14 -5.35 -1.26 -4.75 119.36 111.87 1dqk n ILE 113 Ca 0.04 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1dqk n ILE 113 Cb 0.46 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 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 -0.12 0.00 -4.08 4.28 8.25 -1.25 -5.13 115.22 117.17 1dqk n HIS 114 Ca 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1dqk n HIS 114 Cb 0.26 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.23 -1.31 3.84 -1.41 0.00 -1.23 -4.83 105.19 100.02 1dqk n GLY 115 Ca 0.00 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 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 4.40 0.04 0.99 1.43 -1.25 -1.44 118.68 122.86 1dqk s LEU 116 Ca 0.00 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1dqk s LEU 116 Cb 0.00 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1dqk s LEU 116 CO 0.00 0.19 -0.10 0.26 0.23 0.00 0.00 176.35 176.93 1dqk s TRP 117 N -1.31 0.89 0.15 0.29 0.52 0.89 -1.08 118.94 119.28 1dqk s TRP 117 Ca 0.33 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 56.05 1dqk s TRP 117 Cb -0.16 -0.52 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 1dqk s TRP 117 CO 0.18 -0.02 0.05 -1.83 0.02 0.00 0.00 176.95 175.36 1dqk s GLU 118 N -1.30 1.01 0.11 4.98 -1.05 -0.31 -0.28 118.70 121.86 1dqk s GLU 118 Ca -0.04 -1.49 -0.26 0.00 -0.15 0.00 0.00 54.97 53.03 1dqk s GLU 118 Cb -0.08 0.12 0.07 0.00 -0.44 0.00 0.00 34.13 33.80 1dqk s GLU 118 CO 0.01 -0.25 0.87 1.21 0.95 0.00 0.00 175.26 178.05 1dqk s ASN 119 N -3.10 -0.30 -0.11 0.83 2.47 -0.84 -4.49 114.94 109.41 1dqk s ASN 119 Ca 0.26 -0.24 -0.29 0.00 0.42 0.00 0.00 52.86 53.01 1dqk s ASN 119 Cb 0.07 0.49 0.07 0.00 -1.45 0.00 0.00 41.25 40.43 1dqk s ASN 119 CO 0.04 -0.86 0.69 -1.83 -3.72 0.00 0.00 177.10 171.41 1dqk s GLU 120 N -3.35 1.00 0.07 0.43 -1.05 -1.26 -0.66 118.70 113.87 1dqk s GLU 120 Ca 0.08 0.46 0.01 0.00 -0.15 0.00 0.00 54.97 55.37 1dqk s GLU 120 Cb -0.02 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 1dqk s GLU 120 CO -0.03 -0.27 -0.05 0.14 0.95 0.00 0.00 175.26 176.00 1dqk s VAL 121 N -0.75 0.49 0.00 1.83 -7.23 -0.59 -4.99 120.40 109.15 1dqk s VAL 121 Ca -0.08 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 58.11 1dqk s VAL 121 Cb -0.01 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 1dqk s VAL 121 CO 0.07 -0.83 0.75 -0.89 -0.31 0.00 0.00 175.10 173.89 1dqk s THR 122 N -3.32 4.86 -0.40 5.32 2.01 -1.26 -1.05 115.64 121.80 1dqk s THR 122 Ca 0.06 1.58 -0.17 0.00 0.31 0.00 0.00 61.69 63.47 1dqk s THR 122 Cb 0.03 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1dqk s THR 122 CO -0.06 0.31 0.43 -0.22 -0.69 0.00 0.00 174.62 174.40 1dqk s LEU 123 N 0.31 4.69 0.00 4.42 2.96 0.15 -4.91 118.68 126.31 1dqk s LEU 123 Ca 0.39 -0.49 0.28 0.00 -0.22 0.00 0.00 54.13 54.09 1dqk s LEU 123 Cb -0.19 -2.41 1.05 0.00 0.50 0.00 0.00 46.19 45.14 1dqk s LEU 123 CO 0.21 -0.52 1.75 -0.62 -1.32 0.00 0.00 176.35 175.85