#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqi h ILE 2 N 0.00 0.42 0.00 2.02 2.10 -2.04 -2.05 117.51 117.96 1dqi h ILE 2 Ca 0.00 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.75 1dqi h ILE 2 Cb 0.00 1.13 -0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1dqi h ILE 2 CO 0.00 0.04 -0.00 0.77 -1.08 0.00 0.00 178.15 177.88 1dqi h SER 3 N 0.00 0.00 0.36 2.19 4.64 -2.05 -0.28 113.55 118.40 1dqi h SER 3 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqi h SER 3 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1dqi h SER 3 CO 0.00 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.13 1dqi n GLU 4 N -3.41 0.03 0.00 4.77 0.28 -0.77 -1.75 120.64 119.79 1dqi n GLU 4 Ca -0.03 0.29 0.06 0.00 -0.16 0.00 0.00 57.16 57.32 1dqi n GLU 4 Cb 0.08 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.47 1dqi n GLU 4 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1dqi n THR 5 N -1.46 0.00 -3.73 3.84 -2.24 -0.12 -4.95 114.28 105.61 1dqi n THR 5 Ca 0.03 -0.43 -0.36 0.00 -2.27 0.00 0.00 64.05 61.02 1dqi n THR 5 Cb 0.12 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.46 1dqi n THR 5 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dqi s ILE 6 N -1.38 4.99 0.06 2.28 1.01 -0.71 -3.88 121.20 123.56 1dqi s ILE 6 Ca 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 1dqi s ILE 6 Cb 0.11 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1dqi s ILE 6 CO 0.25 0.34 0.27 -0.13 0.00 0.00 0.00 174.94 175.67 1dqi s ARG 7 N 1.23 3.53 0.00 2.79 0.52 -0.56 -4.93 118.95 121.54 1dqi s ARG 7 Ca 0.06 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1dqi s ARG 7 Cb -0.14 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.32 1dqi s ARG 7 CO 0.05 0.59 0.38 -1.13 0.02 0.00 0.00 175.30 175.21 1dqi n SER 8 N 0.57 0.76 -3.93 0.23 3.41 -1.26 -1.21 113.62 112.20 1dqi n SER 8 Ca -0.07 -0.92 -0.22 0.00 -0.26 0.00 0.00 58.87 57.40 1dqi n SER 8 Cb 0.52 0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 64.42 1dqi n SER 8 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1dqi s GLY 9 N -0.12 0.57 0.67 5.00 0.00 -1.26 -4.91 107.32 107.27 1dqi s GLY 9 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 44.72 44.40 1dqi s GLY 9 CO 0.00 0.39 1.07 0.99 0.00 0.00 0.00 173.10 175.56 1dqi s ASP 10 N 0.93 5.32 0.06 1.64 1.01 -1.26 -4.99 116.67 119.38 1dqi s ASP 10 Ca -0.11 1.79 0.02 0.00 0.71 0.00 0.00 52.55 54.97 1dqi s ASP 10 Cb -0.15 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1dqi s ASP 10 CO 0.00 -1.48 0.08 -1.66 0.21 0.00 0.00 175.17 172.32 1dqi s TRP 11 N -2.68 3.22 0.15 4.23 -2.14 -1.26 -5.05 118.94 115.41 1dqi s TRP 11 Ca 0.62 0.11 -0.31 0.00 2.66 0.00 0.00 56.10 59.18 1dqi s TRP 11 Cb -0.16 -1.65 -0.10 0.00 -3.10 0.00 0.00 33.47 28.45 1dqi s TRP 11 CO 0.46 0.53 1.69 0.15 -2.66 0.00 0.00 176.95 177.12 1dqi s LYS 12 N -2.26 4.17 0.00 3.25 1.02 -1.26 -3.29 119.74 121.37 1dqi s LYS 12 Ca 0.28 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.76 1dqi s LYS 12 Cb -0.12 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1dqi s LYS 12 CO 0.21 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1dqi n GLY 13 N 3.98 0.82 3.16 -3.33 0.00 -1.26 -5.08 105.19 103.48 1dqi n GLY 13 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1dqi n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dqi s GLU 14 N 0.00 0.30 -0.21 1.61 2.12 -1.21 -5.12 118.70 116.20 1dqi s GLU 14 Ca 0.00 0.61 -0.19 0.00 0.36 0.00 0.00 54.97 55.75 1dqi s GLU 14 Cb 0.00 -0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.33 1dqi s GLU 14 CO 0.00 -0.14 0.53 0.15 -0.54 0.00 0.00 175.26 175.26 1dqi s LYS 15 N 1.10 4.18 0.00 4.30 -0.14 -1.26 -4.32 119.74 123.60 1dqi s LYS 15 Ca -0.08 0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.96 1dqi s LYS 15 Cb -0.08 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 1dqi s LYS 15 CO -0.08 -0.18 0.00 0.72 -0.76 0.00 0.00 175.35 175.05 1dqi n HIS 16 N 4.90 0.00 -1.68 3.18 8.25 -1.26 -4.35 115.22 124.26 1dqi n HIS 16 Ca -0.04 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.96 1dqi n HIS 16 Cb 0.50 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 1dqi n HIS 16 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1dqi n VAL 17 N -1.94 0.48 -2.21 1.59 0.31 -1.26 -4.87 118.33 110.43 1dqi n VAL 17 Ca 0.00 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1dqi n VAL 17 Cb 0.31 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 1dqi n VAL 17 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1dqi s PRO 18 N 3.34 4.31 -0.18 5.55 0.04 -1.26 -4.63 135.00 142.17 1dqi s PRO 18 Ca 0.87 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.75 1dqi s PRO 18 Cb -0.59 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1dqi s PRO 18 CO 0.44 -0.49 0.43 0.08 0.04 0.00 0.00 177.00 177.50 1dqi s VAL 19 N 1.72 5.19 -0.17 -0.36 1.01 0.46 -4.60 120.40 123.66 1dqi s VAL 19 Ca 0.64 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.35 1dqi s VAL 19 Cb -0.34 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1dqi s VAL 19 CO 0.29 0.27 0.03 -0.63 0.00 0.00 0.00 175.10 175.05 1dqi s ILE 20 N 1.12 4.49 0.02 2.22 1.01 -1.26 -1.74 121.20 127.07 1dqi s ILE 20 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1dqi s ILE 20 Cb -0.15 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1dqi s ILE 20 CO 0.08 0.48 -0.06 -1.61 0.00 0.00 0.00 174.94 173.83 1dqi s GLU 21 N 0.30 0.46 0.14 2.79 2.02 -0.27 -4.99 118.70 119.16 1dqi s GLU 21 Ca 0.01 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.37 1dqi s GLU 21 Cb -0.13 -0.29 -0.01 0.00 0.10 0.00 0.00 34.13 33.80 1dqi s GLU 21 CO 0.01 0.06 0.25 1.52 0.02 0.00 0.00 175.26 177.12 1dqi s TYR 22 N -0.94 0.35 -0.02 1.61 -0.85 -1.26 -0.38 117.35 115.85 1dqi s TYR 22 Ca -0.06 -0.73 -0.00 0.00 -0.52 0.00 0.00 57.07 55.75 1dqi s TYR 22 Cb -0.07 -0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.22 1dqi s TYR 22 CO 0.00 -0.67 0.03 -2.00 -1.52 0.00 0.00 175.55 171.39 1dqi s GLU 23 N -3.94 0.02 -0.27 -3.49 2.12 -0.40 -4.99 118.70 107.75 1dqi s GLU 23 Ca 0.14 0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.55 1dqi s GLU 23 Cb 0.04 -0.32 -0.05 0.00 0.26 0.00 0.00 34.13 34.06 1dqi s GLU 23 CO -0.03 -0.18 0.18 0.50 -0.54 0.00 0.00 175.26 175.19 1dqi s ARG 24 N 1.16 3.96 -0.41 4.30 3.52 -1.26 -0.92 118.95 129.30 1dqi s ARG 24 Ca -0.08 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 1dqi s ARG 24 Cb -0.13 -3.62 0.13 0.00 -1.56 0.00 0.00 34.95 29.77 1dqi s ARG 24 CO -0.03 -0.13 0.20 -2.00 -0.81 0.00 0.00 175.30 172.54 1dqi s GLU 25 N 1.61 1.17 7.90 5.12 -6.30 0.15 -5.01 118.70 123.34 1dqi s GLU 25 Ca 0.07 -1.81 0.00 0.00 -2.50 0.00 0.00 54.97 50.73 1dqi s GLU 25 Cb -0.15 -2.28 0.00 0.00 0.00 0.00 0.00 34.13 31.70 1dqi s GLU 25 CO 0.09 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.66 1dqi n GLY 26 N 3.83 2.99 0.80 -1.50 0.00 -1.26 -1.55 105.19 108.49 1dqi n GLY 26 Ca 0.06 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1dqi n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dqi n GLU 27 N 12.14 2.09 -4.00 1.61 0.28 -1.26 -4.90 120.64 126.60 1dqi n GLU 27 Ca 0.00 -1.60 -0.35 0.00 -0.16 0.00 0.00 57.16 55.05 1dqi n GLU 27 Cb 0.00 -1.47 -0.08 0.00 1.43 0.00 0.00 31.44 31.32 1dqi n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dqi s LEU 28 N -1.89 3.99 -0.26 -1.84 1.43 -0.60 -0.88 118.68 118.64 1dqi s LEU 28 Ca 0.33 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1dqi s LEU 28 Cb 0.20 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.50 1dqi s LEU 28 CO 0.31 0.28 -0.11 -0.69 0.23 0.00 0.00 176.35 176.37 1dqi s VAL 29 N -0.27 2.14 -0.31 -1.59 1.01 0.17 0.35 120.40 121.89 1dqi s VAL 29 Ca 0.09 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.27 1dqi s VAL 29 Cb -0.12 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1dqi s VAL 29 CO 0.01 -0.03 0.53 -0.54 0.00 0.00 0.00 175.10 175.07 1dqi s LYS 30 N 1.11 3.81 -0.12 2.72 1.02 -0.10 -0.63 119.74 127.56 1dqi s LYS 30 Ca -0.09 0.07 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 1dqi s LYS 30 Cb -0.20 -3.74 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1dqi s LYS 30 CO -0.05 -0.54 -0.10 0.08 -0.92 0.00 0.00 175.35 173.82 1dqi s VAL 31 N 2.41 3.35 -0.14 3.17 1.01 0.58 -1.28 120.40 129.50 1dqi s VAL 31 Ca 0.20 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1dqi s VAL 31 Cb -0.15 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1dqi s VAL 31 CO 0.12 0.53 -0.19 -0.75 0.00 0.00 0.00 175.10 174.81 1dqi s LYS 32 N 0.11 3.14 -0.05 2.72 2.20 0.48 -0.33 119.74 128.01 1dqi s LYS 32 Ca -0.04 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.81 1dqi s LYS 32 Cb -0.14 -2.51 -0.00 0.00 -1.51 0.00 0.00 37.83 33.67 1dqi s LYS 32 CO 0.04 0.05 -0.18 0.08 -0.36 0.00 0.00 175.35 174.98 1dqi s VAL 33 N 0.69 1.49 0.02 4.02 1.01 0.11 -1.12 120.40 126.63 1dqi s VAL 33 Ca -0.09 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1dqi s VAL 33 Cb -0.16 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1dqi s VAL 33 CO 0.01 0.43 0.29 0.00 0.00 0.00 0.00 175.10 175.84 1dqi s GLN 34 N 0.06 0.75 -0.14 2.72 -2.07 -0.71 0.25 119.66 120.51 1dqi s GLN 34 Ca -0.05 -0.41 -0.01 0.00 -1.82 0.00 0.00 55.36 53.07 1dqi s GLN 34 Cb -0.12 0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1dqi s GLN 34 CO 0.03 -0.23 -0.12 0.08 -1.32 0.00 0.00 175.29 173.73 1dqi s VAL 35 N -2.14 3.05 -0.01 3.63 1.01 -0.92 -0.40 120.40 124.61 1dqi s VAL 35 Ca -0.08 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1dqi s VAL 35 Cb -0.02 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1dqi s VAL 35 CO -0.01 0.51 0.01 0.61 0.00 0.00 0.00 175.10 176.22 1dqi n GLY 36 N 3.74 0.94 0.42 4.51 0.00 -1.26 -4.52 105.19 109.02 1dqi n GLY 36 Ca -0.18 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1dqi n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dqi h LYS 37 N -0.03 -0.73 0.05 1.61 3.64 -1.94 -3.09 116.57 116.07 1dqi h LYS 37 Ca -0.01 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1dqi h LYS 37 Cb 1.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1dqi h LYS 37 CO 0.01 -0.49 -0.38 0.93 -2.27 0.00 0.00 179.45 177.25 1dqi h GLU 38 N -0.76 0.10 -4.75 1.90 4.39 -1.99 -3.43 114.58 110.03 1dqi h GLU 38 Ca -0.03 -0.16 -0.68 0.00 0.34 0.00 0.00 59.36 58.83 1dqi h GLU 38 Cb 0.70 0.06 -0.36 0.00 -0.10 0.00 0.00 28.75 29.05 1dqi h GLU 38 CO -0.13 1.08 -0.72 0.42 -1.16 0.00 0.00 179.01 178.49 1dqi s ILE 39 N -2.30 2.62 0.23 3.13 -1.09 -1.25 -5.09 121.20 117.45 1dqi s ILE 39 Ca -0.18 -1.73 -0.31 0.00 -2.23 0.00 0.00 60.65 56.20 1dqi s ILE 39 Cb -0.01 -2.63 -0.14 0.00 -1.58 0.00 0.00 42.46 38.09 1dqi s ILE 39 CO 0.73 -0.24 1.20 -2.65 -1.23 0.00 0.00 174.94 172.74 1dqi n PRO 40 N 4.49 1.51 -3.06 2.79 -0.02 -1.17 -4.43 135.00 135.12 1dqi n PRO 40 Ca -0.09 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 1dqi n PRO 40 Cb 0.42 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 1dqi n PRO 40 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1dqi s HIS 41 N -0.44 3.48 0.65 6.00 2.46 -1.26 -4.80 115.29 121.38 1dqi s HIS 41 Ca 0.67 1.37 -0.18 0.00 0.47 0.00 0.00 55.06 57.39 1dqi s HIS 41 Cb -0.74 -2.63 -0.02 0.00 -0.13 0.00 0.00 32.58 29.06 1dqi s HIS 41 CO 0.54 0.16 1.08 -2.30 -2.47 0.00 0.00 174.74 171.75 1dqi n PRO 42 N 0.03 0.87 -3.32 2.88 -0.02 -1.26 -4.97 135.00 129.21 1dqi n PRO 42 Ca 0.02 0.35 -0.26 0.00 -2.02 0.00 0.00 63.50 61.59 1dqi n PRO 42 Cb 0.52 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 1dqi n PRO 42 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1dqi n ASN 43 N -1.42 -0.13 -4.63 2.55 2.85 -1.22 -4.23 115.26 109.03 1dqi n ASN 43 Ca 0.15 -2.52 -0.28 0.00 -0.11 0.00 0.00 54.58 51.82 1dqi n ASN 43 Cb 0.48 -0.59 -0.11 0.00 1.24 0.00 0.00 39.78 40.81 1dqi n ASN 43 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1dqi s THR 44 N -0.47 2.05 0.42 -0.44 -4.23 0.37 -4.85 115.64 108.48 1dqi s THR 44 Ca 0.34 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.96 1dqi s THR 44 Cb 0.09 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.21 1dqi s THR 44 CO -0.16 -0.01 2.07 0.74 -0.54 0.00 0.00 174.62 176.72 1dqi h THR 45 N 1.74 1.09 0.00 3.99 2.02 -1.72 -2.76 112.91 117.27 1dqi h THR 45 Ca -0.44 -0.17 -0.15 0.00 0.77 0.00 0.00 66.41 66.43 1dqi h THR 45 Cb 1.24 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1dqi h THR 45 CO 0.79 0.09 -1.06 -0.33 0.37 0.00 0.00 175.52 175.38 1dqi h GLU 46 N 0.49 0.00 -2.80 6.66 3.07 -1.96 -3.46 114.58 116.59 1dqi h GLU 46 Ca 0.14 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.70 1dqi h GLU 46 Cb -0.04 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 27.52 1dqi h GLU 46 CO -0.03 0.39 -0.62 -1.58 -1.40 0.00 0.00 179.01 175.77 1dqi s HIS 47 N -2.93 -0.24 0.14 4.33 5.04 -1.04 -4.84 115.29 115.74 1dqi s HIS 47 Ca -0.00 0.44 -0.24 0.00 -1.54 0.00 0.00 55.06 53.72 1dqi s HIS 47 Cb 0.08 -0.29 0.07 0.00 0.04 0.00 0.00 32.58 32.48 1dqi s HIS 47 CO 0.79 -0.45 0.72 -3.38 -2.34 0.00 0.00 174.74 170.09 1dqi s HIS 48 N 2.32 -0.40 -0.15 3.88 -3.43 -1.26 -0.48 115.29 115.77 1dqi s HIS 48 Ca 0.04 0.16 -0.25 0.00 -0.80 0.00 0.00 55.06 54.21 1dqi s HIS 48 Cb -0.14 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.58 1dqi s HIS 48 CO -0.09 -0.83 0.81 0.42 -2.00 0.00 0.00 174.74 173.05 1dqi s ILE 49 N -3.58 4.90 -0.00 -5.38 -1.09 -1.26 -1.32 121.20 113.47 1dqi s ILE 49 Ca 0.05 1.61 -0.13 0.00 -2.23 0.00 0.00 60.65 59.95 1dqi s ILE 49 Cb -0.02 -4.13 -0.33 0.00 -1.58 0.00 0.00 42.46 36.40 1dqi s ILE 49 CO -0.07 0.06 0.87 0.03 -1.23 0.00 0.00 174.94 174.59 1dqi h ARG 50 N 7.25 0.47 -2.25 2.79 2.47 -1.09 -3.43 114.38 120.59 1dqi h ARG 50 Ca -0.31 -0.80 0.18 0.00 -1.26 0.00 0.00 59.98 57.79 1dqi h ARG 50 Cb 1.14 0.30 -0.10 0.00 -1.65 0.00 0.00 29.97 29.66 1dqi h ARG 50 CO 0.82 1.38 0.52 1.52 0.56 0.00 0.00 179.97 184.77 1dqi s TYR 51 N -2.59 -0.16 -0.02 3.04 -0.85 -1.25 -1.29 117.35 114.22 1dqi s TYR 51 Ca -0.12 -0.10 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1dqi s TYR 51 Cb 0.05 0.61 0.02 0.00 0.38 0.00 0.00 41.96 43.02 1dqi s TYR 51 CO 0.91 -0.73 -0.03 0.42 -1.52 0.00 0.00 175.55 174.61 1dqi s ILE 52 N -3.18 0.31 0.05 -3.49 1.01 -0.46 -2.58 121.20 112.87 1dqi s ILE 52 Ca 0.11 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1dqi s ILE 52 Cb -0.01 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 1dqi s ILE 52 CO -0.00 0.14 -0.20 -1.61 0.00 0.00 0.00 174.94 173.27 1dqi s GLU 53 N 0.59 1.97 -0.08 2.79 2.02 0.84 -0.83 118.70 126.01 1dqi s GLU 53 Ca -0.06 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 53.94 1dqi s GLU 53 Cb -0.10 -2.13 -0.00 0.00 0.10 0.00 0.00 34.13 32.00 1dqi s GLU 53 CO -0.01 0.53 -0.23 -1.17 0.02 0.00 0.00 175.26 174.40 1dqi s LEU 54 N -1.45 2.03 0.17 1.80 2.96 -0.36 -1.34 118.68 122.49 1dqi s LEU 54 Ca 0.14 -0.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1dqi s LEU 54 Cb -0.10 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 1dqi s LEU 54 CO 0.05 0.18 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.76 1dqi s TYR 55 N 0.14 1.86 -0.04 5.38 1.51 0.53 -0.05 117.35 126.69 1dqi s TYR 55 Ca -0.11 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1dqi s TYR 55 Cb -0.16 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1dqi s TYR 55 CO 0.06 0.35 0.04 0.12 -1.11 0.00 0.00 175.55 175.01 1dqi s PHE 56 N -2.03 0.12 -0.37 2.71 5.36 0.51 -0.78 117.98 123.50 1dqi s PHE 56 Ca 0.16 0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 56.28 1dqi s PHE 56 Cb -0.06 -0.43 0.08 0.00 -0.34 0.00 0.00 43.02 42.27 1dqi s PHE 56 CO 0.07 -0.17 0.13 -1.17 -1.46 0.00 0.00 175.22 172.62 1dqi s LEU 57 N 1.76 4.74 0.46 6.12 2.96 0.09 -1.04 118.68 133.77 1dqi s LEU 57 Ca -0.00 -1.72 -0.25 0.00 -0.22 0.00 0.00 54.13 51.94 1dqi s LEU 57 Cb -0.12 -1.79 -0.08 0.00 0.50 0.00 0.00 46.19 44.70 1dqi s LEU 57 CO -0.03 -0.43 1.42 -2.65 -1.32 0.00 0.00 176.35 173.34 1dqi n PRO 58 N 4.61 2.17 -1.66 0.98 -0.02 -1.26 -1.53 135.00 138.29 1dqi n PRO 58 Ca -0.06 0.78 -0.48 0.00 -2.02 0.00 0.00 63.50 61.72 1dqi n PRO 58 Cb 0.42 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 1dqi n PRO 58 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1dqi n GLU 59 N -0.30 1.95 -0.85 -0.52 2.13 0.26 -1.52 120.64 121.78 1dqi n GLU 59 Ca 0.06 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1dqi n GLU 59 Cb 0.42 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.67 1dqi n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dqi n GLY 60 N 3.41 1.20 3.96 8.31 0.00 -1.26 -5.00 105.19 115.82 1dqi n GLY 60 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1dqi n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dqi s GLU 61 N -0.04 3.30 -0.01 1.61 2.02 -0.58 -5.04 118.70 119.96 1dqi s GLU 61 Ca 0.00 -0.63 0.20 0.00 0.02 0.00 0.00 54.97 54.56 1dqi s GLU 61 Cb 0.00 -2.73 -0.24 0.00 0.10 0.00 0.00 34.13 31.26 1dqi s GLU 61 CO 0.00 0.11 0.73 0.09 0.02 0.00 0.00 175.26 176.21 1dqi n ASN 62 N -1.72 0.78 -4.04 -0.19 3.02 -1.26 -4.87 115.26 106.97 1dqi n ASN 62 Ca -0.03 -0.71 -0.30 0.00 -0.03 0.00 0.00 54.58 53.51 1dqi n ASN 62 Cb 0.57 1.25 -0.17 0.00 -0.61 0.00 0.00 39.78 40.82 1dqi n ASN 62 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1dqi s PHE 63 N -3.01 2.14 0.47 3.10 0.40 -1.26 -5.11 117.98 114.71 1dqi s PHE 63 Ca 0.04 -1.13 -0.22 0.00 -0.60 0.00 0.00 56.93 55.01 1dqi s PHE 63 Cb 0.14 -1.55 -0.07 0.00 0.51 0.00 0.00 43.02 42.05 1dqi s PHE 63 CO 0.82 -0.60 1.12 0.54 0.70 0.00 0.00 175.22 177.80 1dqi s VAL 64 N 1.27 3.32 -0.08 -0.44 0.11 -1.26 -4.75 120.40 118.57 1dqi s VAL 64 Ca 0.00 0.93 0.02 0.00 -2.93 0.00 0.00 61.98 60.00 1dqi s VAL 64 Cb -0.14 -3.44 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 1dqi s VAL 64 CO -0.07 -0.07 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.17 1dqi s TYR 65 N -1.68 2.72 -0.18 1.54 1.51 -0.21 -4.96 117.35 116.09 1dqi s TYR 65 Ca 0.65 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 56.06 1dqi s TYR 65 Cb -0.25 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1dqi s TYR 65 CO 0.30 0.01 0.89 -1.14 -1.11 0.00 0.00 175.55 174.49 1dqi s GLN 66 N -0.29 4.29 -0.04 -0.62 0.74 -1.26 -0.36 119.66 122.12 1dqi s GLN 66 Ca 0.02 1.11 -0.14 0.00 0.05 0.00 0.00 55.36 56.39 1dqi s GLN 66 Cb -0.13 -3.59 -0.31 0.00 1.10 0.00 0.00 33.01 30.08 1dqi s GLN 66 CO 0.03 -0.40 0.74 0.28 -0.55 0.00 0.00 175.29 175.39 1dqi h VAL 67 N 5.26 1.10 -1.69 1.34 2.07 -0.80 -3.48 116.25 120.05 1dqi h VAL 67 Ca -0.27 -2.53 0.36 0.00 0.82 0.00 0.00 66.70 65.07 1dqi h VAL 67 Cb 1.12 2.87 -0.10 0.00 -1.52 0.00 0.00 31.29 33.65 1dqi h VAL 67 CO 0.87 0.80 0.91 -0.83 0.02 0.00 0.00 177.57 179.34 1dqi s GLY 68 N -4.89 -0.30 -0.07 2.17 0.00 -1.09 -5.00 107.32 98.14 1dqi s GLY 68 Ca -0.15 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 44.96 1dqi s GLY 68 CO 0.86 3.01 0.16 -1.60 0.00 0.00 0.00 173.10 175.53 1dqi s ARG 69 N -2.15 0.13 -0.15 2.90 3.52 -1.26 -1.22 118.95 120.73 1dqi s ARG 69 Ca 0.22 0.35 0.01 0.00 -0.13 0.00 0.00 55.73 56.19 1dqi s ARG 69 Cb 0.03 -0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.34 1dqi s ARG 69 CO -0.03 -0.12 -0.18 0.08 -0.81 0.00 0.00 175.30 174.23 1dqi s VAL 70 N 0.87 1.83 -0.20 7.11 1.01 -0.01 -5.00 120.40 126.01 1dqi s VAL 70 Ca -0.07 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1dqi s VAL 70 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1dqi s VAL 70 CO -0.05 0.50 0.07 -1.61 0.00 0.00 0.00 175.10 174.02 1dqi s GLU 71 N 1.13 3.89 -0.50 2.72 2.02 -1.26 -1.35 118.70 125.35 1dqi s GLU 71 Ca -0.01 -0.38 -0.17 0.00 0.02 0.00 0.00 54.97 54.44 1dqi s GLU 71 Cb -0.14 -3.26 0.08 0.00 0.10 0.00 0.00 34.13 30.91 1dqi s GLU 71 CO -0.07 0.14 0.48 -0.06 0.02 0.00 0.00 175.26 175.77 1dqi s PHE 72 N 0.74 3.19 -1.73 1.61 0.40 -0.41 -4.95 117.98 116.82 1dqi s PHE 72 Ca 0.04 -0.91 0.21 0.00 -0.60 0.00 0.00 56.93 55.66 1dqi s PHE 72 Cb -0.13 -3.41 -0.05 0.00 0.51 0.00 0.00 43.02 39.94 1dqi s PHE 72 CO 0.02 -0.92 1.00 0.25 0.70 0.00 0.00 175.22 176.28 1dqi n THR 73 N 5.32 0.00 -4.10 0.64 -2.24 -1.26 -4.69 114.28 107.95 1dqi n THR 73 Ca -0.11 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 1dqi n THR 73 Cb 0.43 1.20 -0.12 0.00 -2.10 0.00 0.00 70.33 69.74 1dqi n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dqi s ALA 74 N -2.47 3.12 -0.19 6.98 0.00 -1.26 -4.99 121.76 122.95 1dqi s ALA 74 Ca 0.15 -0.92 0.23 0.00 0.00 0.00 0.00 51.96 51.42 1dqi s ALA 74 Cb 0.17 -1.79 0.48 0.00 0.00 0.00 0.00 23.12 21.98 1dqi s ALA 74 CO 0.60 -0.04 1.13 0.72 0.00 0.00 0.00 175.76 178.17 1dqi n HIS 75 N 4.01 0.99 0.00 0.00 -0.00 -1.23 -0.71 115.22 118.29 1dqi n HIS 75 Ca -0.17 -1.71 0.00 0.00 -0.00 0.00 0.00 57.72 55.84 1dqi n HIS 75 Cb 0.52 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 1dqi n HIS 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1dqi n GLY 76 N -0.33 2.65 3.76 -1.41 0.00 -0.64 -1.77 105.19 107.43 1dqi n GLY 76 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1dqi n GLY 76 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dqi n GLU 77 N -2.00 1.99 -3.73 1.61 0.00 -1.26 -0.50 120.64 116.75 1dqi n GLU 77 Ca 0.00 0.72 -0.06 0.00 0.00 0.00 0.00 57.16 57.82 1dqi n GLU 77 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 31.44 28.81 1dqi n GLU 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1dqi s SER 78 N -0.68 -0.26 0.28 -1.84 1.04 -1.07 -4.40 113.70 106.77 1dqi s SER 78 Ca 0.66 -0.39 0.21 0.00 0.48 0.00 0.00 55.95 56.91 1dqi s SER 78 Cb -0.43 0.57 1.04 0.00 0.10 0.00 0.00 66.02 67.29 1dqi s SER 78 CO 0.53 -1.03 1.65 1.33 0.98 0.00 0.00 173.24 176.70 1dqi n VAL 79 N -0.43 1.00 -0.29 5.02 0.24 -1.26 -1.04 118.33 121.56 1dqi n VAL 79 Ca -0.07 0.53 0.08 0.00 -2.04 0.00 0.00 64.34 62.84 1dqi n VAL 79 Cb 0.61 -1.50 0.31 0.00 -1.47 0.00 0.00 33.84 31.79 1dqi n VAL 79 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1dqi n ASN 80 N -2.20 4.18 0.00 -1.34 3.02 -1.26 -5.04 115.26 112.62 1dqi n ASN 80 Ca 0.00 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1dqi n ASN 80 Cb 0.11 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1dqi n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dqi n GLY 81 N 1.00 2.04 3.77 7.41 0.00 -0.21 -4.88 105.19 114.32 1dqi n GLY 81 Ca 0.22 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 1dqi n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqi s PRO 82 N -1.98 3.97 -1.36 1.61 0.04 -1.26 -2.59 135.00 133.43 1dqi s PRO 82 Ca 0.00 1.94 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 1dqi s PRO 82 Cb 0.00 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1dqi s PRO 82 CO 0.00 -0.42 1.16 0.09 0.04 0.00 0.00 177.00 177.87 1dqi n ASN 83 N -0.01 -5.97 0.00 6.66 5.03 -1.05 -4.91 115.26 115.02 1dqi n ASN 83 Ca 0.05 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.93 1dqi n ASN 83 Cb 0.46 -4.97 0.00 0.00 -1.02 0.00 0.00 39.78 34.25 1dqi n ASN 83 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1dqi n THR 84 N -4.93 0.00 0.23 3.41 -2.24 0.35 -4.78 114.28 106.31 1dqi n THR 84 Ca -0.01 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1dqi n THR 84 Cb 0.57 1.03 0.32 0.00 -2.10 0.00 0.00 70.33 70.15 1dqi n THR 84 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1dqi h SER 85 N 0.00 0.00 -1.78 3.42 4.64 -1.10 -3.47 113.55 115.26 1dqi h SER 85 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1dqi h SER 85 Cb 0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.04 1dqi h SER 85 CO 0.00 0.07 -0.39 -0.67 -0.87 0.00 0.00 176.83 174.97 1dqi n ASP 86 N -3.14 -5.09 -3.90 4.97 4.64 -1.26 -4.97 116.55 107.80 1dqi n ASP 86 Ca 0.03 0.17 -0.30 0.00 -1.38 0.00 0.00 54.79 53.31 1dqi n ASP 86 Cb 0.48 -4.15 -0.16 0.00 -1.04 0.00 0.00 41.12 36.25 1dqi n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1dqi s VAL 87 N -2.77 1.30 -0.01 5.18 1.01 -1.26 -5.05 120.40 118.79 1dqi s VAL 87 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1dqi s VAL 87 Cb 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1dqi s VAL 87 CO 0.00 -0.06 -0.08 -0.31 0.00 0.00 0.00 175.10 174.65 1dqi s TYR 88 N 1.51 0.80 -0.31 5.22 1.51 -1.26 -1.63 117.35 123.20 1dqi s TYR 88 Ca -0.04 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 1dqi s TYR 88 Cb -0.18 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1dqi s TYR 88 CO -0.07 -0.05 0.18 0.99 -1.11 0.00 0.00 175.55 175.49 1dqi s THR 89 N -0.02 4.92 0.36 -0.71 2.01 0.12 -4.96 115.64 117.36 1dqi s THR 89 Ca 0.01 -0.21 -0.26 0.00 0.31 0.00 0.00 61.69 61.54 1dqi s THR 89 Cb -0.05 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1dqi s THR 89 CO -0.00 0.11 1.11 -1.61 -0.69 0.00 0.00 174.62 173.54 1dqi s GLU 90 N 1.68 4.29 -1.16 4.92 0.41 -1.26 -4.84 118.70 122.74 1dqi s GLU 90 Ca 0.06 1.73 -0.12 0.00 -0.41 0.00 0.00 54.97 56.23 1dqi s GLU 90 Cb -0.17 -2.81 -0.07 0.00 -1.78 0.00 0.00 34.13 29.30 1dqi s GLU 90 CO 0.08 -0.08 2.30 -0.35 -0.49 0.00 0.00 175.26 176.72 1dqi n PRO 91 N 0.42 2.49 -4.05 0.39 -0.04 -1.26 -4.82 135.00 128.14 1dqi n PRO 91 Ca 0.03 -1.95 -0.30 0.00 -0.04 0.00 0.00 63.50 61.24 1dqi n PRO 91 Cb 0.47 -2.81 -0.17 0.00 -0.04 0.00 0.00 33.50 30.96 1dqi n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1dqi s ILE 92 N 3.44 1.51 -0.07 0.52 1.01 -1.26 -2.17 121.20 124.17 1dqi s ILE 92 Ca 0.52 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.62 1dqi s ILE 92 Cb 0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1dqi s ILE 92 CO -0.02 0.45 -0.21 0.00 0.00 0.00 0.00 174.94 175.16 1dqi s ALA 93 N 1.47 2.33 -0.06 9.38 0.00 0.14 -4.99 121.76 130.02 1dqi s ALA 93 Ca 0.04 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1dqi s ALA 93 Cb -0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1dqi s ALA 93 CO -0.10 0.40 -0.23 -0.47 0.00 0.00 0.00 175.76 175.36 1dqi s TYR 94 N -0.12 2.33 -0.03 0.00 5.04 -1.26 0.04 117.35 123.34 1dqi s TYR 94 Ca -0.04 -0.73 0.02 0.00 -2.44 0.00 0.00 57.07 53.88 1dqi s TYR 94 Cb -0.14 -1.54 0.01 0.00 0.35 0.00 0.00 41.96 40.64 1dqi s TYR 94 CO 0.04 -0.24 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.86 1dqi s PHE 95 N -0.05 0.98 -0.36 4.97 0.40 0.55 -4.99 117.98 119.48 1dqi s PHE 95 Ca -0.06 -0.26 -0.07 0.00 -0.60 0.00 0.00 56.93 55.94 1dqi s PHE 95 Cb -0.14 -0.71 0.05 0.00 0.51 0.00 0.00 43.02 42.73 1dqi s PHE 95 CO 0.04 -0.12 0.15 0.08 0.70 0.00 0.00 175.22 176.08 1dqi s VAL 96 N 0.27 3.90 -0.19 -0.44 1.01 -1.26 -0.31 120.40 123.38 1dqi s VAL 96 Ca -0.05 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 1dqi s VAL 96 Cb -0.09 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1dqi s VAL 96 CO 0.01 -0.29 0.04 -0.22 0.00 0.00 0.00 175.10 174.64 1dqi s LEU 97 N 1.40 3.64 -0.40 3.92 2.96 0.20 -4.95 118.68 125.45 1dqi s LEU 97 Ca 0.00 -0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.77 1dqi s LEU 97 Cb -0.21 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1dqi s LEU 97 CO 0.02 0.14 0.26 -0.75 -1.32 0.00 0.00 176.35 174.71 1dqi s LYS 98 N 0.56 2.90 -0.09 1.98 2.20 -1.26 0.41 119.74 126.44 1dqi s LYS 98 Ca 0.02 -1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 54.28 1dqi s LYS 98 Cb -0.13 -3.88 0.11 0.00 -1.51 0.00 0.00 37.83 32.41 1dqi s LYS 98 CO 0.01 -0.74 0.88 -0.08 -0.36 0.00 0.00 175.35 175.06 1dqi s THR 99 N 1.63 0.00 -1.13 3.43 -1.32 -0.06 -5.02 115.64 113.17 1dqi s THR 99 Ca 0.04 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1dqi s THR 99 Cb -0.19 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.89 1dqi s THR 99 CO 0.09 0.00 0.83 0.29 -2.21 0.00 0.00 174.62 173.62 1dqi n LYS 100 N 0.54 0.53 -2.05 7.08 5.02 -1.26 -4.53 118.16 123.49 1dqi n LYS 100 Ca -0.13 -1.14 -0.29 0.00 -2.02 0.00 0.00 58.31 54.74 1dqi n LYS 100 Cb 0.59 -1.18 0.05 0.00 -0.02 0.00 0.00 35.03 34.46 1dqi n LYS 100 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dqi s LYS 101 N -0.80 2.73 0.37 1.97 1.02 -1.26 -5.10 119.74 118.66 1dqi s LYS 101 Ca 0.12 0.24 0.08 0.00 0.02 0.00 0.00 55.97 56.43 1dqi s LYS 101 Cb 0.08 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.22 1dqi s LYS 101 CO 0.12 -1.02 -0.04 0.15 -0.92 0.00 0.00 175.35 173.64 1dqi s LYS 102 N -5.27 1.86 0.00 1.68 1.02 -1.26 -4.98 119.74 112.78 1dqi s LYS 102 Ca 0.58 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1dqi s LYS 102 Cb -0.11 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1dqi s LYS 102 CO 0.49 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1dqi n GLY 103 N -0.85 -0.46 3.18 -3.33 0.00 -0.71 -0.58 105.19 102.44 1dqi n GLY 103 Ca -0.05 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1dqi n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dqi s LYS 104 N -2.00 1.98 -0.14 1.61 2.20 -0.58 0.07 119.74 122.88 1dqi s LYS 104 Ca 0.00 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 1dqi s LYS 104 Cb 0.00 -1.73 -0.03 0.00 -1.51 0.00 0.00 37.83 34.56 1dqi s LYS 104 CO 0.00 0.31 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.79 1dqi s LEU 105 N -0.10 3.50 0.10 5.43 1.43 -0.27 -0.73 118.68 128.04 1dqi s LEU 105 Ca -0.02 0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1dqi s LEU 105 Cb -0.12 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1dqi s LEU 105 CO 0.02 0.24 -0.26 -0.31 0.23 0.00 0.00 176.35 176.27 1dqi s TYR 106 N -0.07 2.28 -0.03 0.29 1.51 0.04 -1.43 117.35 119.94 1dqi s TYR 106 Ca 0.04 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1dqi s TYR 106 Cb -0.13 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1dqi s TYR 106 CO 0.02 0.26 -0.17 0.00 -1.11 0.00 0.00 175.55 174.55 1dqi s ALA 107 N -0.97 1.48 -0.10 3.71 0.00 -0.00 -0.34 121.76 125.53 1dqi s ALA 107 Ca 0.13 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1dqi s ALA 107 Cb -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1dqi s ALA 107 CO 0.05 0.31 -0.12 -1.17 0.00 0.00 0.00 175.76 174.82 1dqi s LEU 108 N -0.16 1.56 0.23 0.00 2.96 -0.45 -2.05 118.68 120.78 1dqi s LEU 108 Ca 0.01 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1dqi s LEU 108 Cb -0.09 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 1dqi s LEU 108 CO 0.01 -0.02 -0.09 -0.94 -1.32 0.00 0.00 176.35 173.99 1dqi s SER 109 N 1.10 2.46 -0.03 3.68 1.04 0.10 -0.11 113.70 121.93 1dqi s SER 109 Ca -0.05 -1.11 -0.00 0.00 0.48 0.00 0.00 55.95 55.27 1dqi s SER 109 Cb -0.14 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 65.89 1dqi s SER 109 CO -0.02 -0.29 0.01 -0.47 0.98 0.00 0.00 173.24 173.44 1dqi s TYR 110 N -3.08 0.30 -0.13 5.02 5.04 -1.06 -0.95 117.35 122.48 1dqi s TYR 110 Ca 0.25 0.02 -0.09 0.00 -2.44 0.00 0.00 57.07 54.81 1dqi s TYR 110 Cb 0.02 -0.44 -0.04 0.00 0.35 0.00 0.00 41.96 41.85 1dqi s TYR 110 CO 0.08 -0.15 0.17 0.00 -1.34 0.00 0.00 175.55 174.32 1dqi h ASN 112 N 5.49 0.00 0.00 0.00 -1.07 -1.52 -2.99 115.58 115.48 1dqi h ASN 112 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.87 1dqi h ASN 112 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1dqi h ASN 112 CO 0.64 0.00 0.00 2.30 0.07 0.00 0.00 177.43 180.44 1dqi n ILE 113 N -2.88 0.00 -1.19 6.14 -5.35 -1.26 -4.79 119.36 110.02 1dqi n ILE 113 Ca -0.02 -0.36 0.06 0.00 -0.27 0.00 0.00 62.75 62.16 1dqi n ILE 113 Cb 0.07 1.05 0.20 0.00 -1.74 0.00 0.00 39.64 39.23 1dqi n ILE 113 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1dqi n HIS 114 N -0.58 0.49 -4.80 4.28 8.25 -1.14 -5.11 115.22 116.61 1dqi n HIS 114 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 57.72 56.32 1dqi n HIS 114 Cb 0.01 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1dqi n HIS 114 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqi n GLY 115 N -1.05 0.50 3.84 -1.41 0.00 -1.15 -4.74 105.19 101.18 1dqi n GLY 115 Ca 0.21 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 1dqi n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqi s LEU 116 N 0.00 4.28 0.04 0.99 1.43 -1.25 -1.68 118.68 122.48 1dqi s LEU 116 Ca 0.00 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1dqi s LEU 116 Cb 0.00 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1dqi s LEU 116 CO 0.00 0.02 -0.06 0.26 0.23 0.00 0.00 176.35 176.80 1dqi s TRP 117 N -1.60 0.56 0.16 0.29 0.52 -0.13 -1.49 118.94 117.24 1dqi s TRP 117 Ca 0.43 -0.54 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 1dqi s TRP 117 Cb -0.14 -0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 31.80 1dqi s TRP 117 CO 0.20 -0.13 0.13 -1.83 0.02 0.00 0.00 176.95 175.34 1dqi s GLU 118 N -1.72 1.06 0.10 4.98 -1.05 -0.35 -0.72 118.70 121.00 1dqi s GLU 118 Ca -0.10 -1.44 -0.26 0.00 -0.15 0.00 0.00 54.97 53.02 1dqi s GLU 118 Cb -0.09 0.28 0.08 0.00 -0.44 0.00 0.00 34.13 33.96 1dqi s GLU 118 CO -0.01 -0.33 0.88 1.21 0.95 0.00 0.00 175.26 177.96 1dqi s ASN 119 N -3.06 -0.29 0.08 0.83 3.84 -0.87 -4.55 114.94 110.91 1dqi s ASN 119 Ca 0.27 -0.22 -0.22 0.00 0.21 0.00 0.00 52.86 52.90 1dqi s ASN 119 Cb 0.06 0.48 0.05 0.00 -0.55 0.00 0.00 41.25 41.29 1dqi s ASN 119 CO 0.04 -0.83 0.51 -1.83 -2.79 0.00 0.00 177.10 172.20 1dqi s GLU 120 N -3.31 1.08 0.02 0.43 -1.05 -1.26 -0.82 118.70 113.78 1dqi s GLU 120 Ca 0.08 -0.34 -0.11 0.00 -0.15 0.00 0.00 54.97 54.45 1dqi s GLU 120 Cb -0.02 0.49 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1dqi s GLU 120 CO -0.03 -0.41 0.23 0.54 0.95 0.00 0.00 175.26 176.54 1dqi s VAL 121 N -2.85 0.09 -0.07 1.83 0.11 -0.51 -5.00 120.40 113.99 1dqi s VAL 121 Ca -0.03 -0.73 -0.27 0.00 -2.93 0.00 0.00 61.98 58.02 1dqi s VAL 121 Cb -0.00 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1dqi s VAL 121 CO -0.05 -0.40 0.85 -0.89 -3.33 0.00 0.00 175.10 171.28 1dqi s THR 122 N -2.12 4.93 -0.54 5.04 2.01 -1.26 -1.12 115.64 122.57 1dqi s THR 122 Ca -0.08 1.76 -0.20 0.00 0.31 0.00 0.00 61.69 63.47 1dqi s THR 122 Cb -0.03 -4.18 0.06 0.00 0.01 0.00 0.00 72.50 68.36 1dqi s THR 122 CO -0.01 0.15 0.72 -0.22 -0.69 0.00 0.00 174.62 174.57 1dqi s LEU 123 N 1.27 4.85 0.00 4.42 2.96 0.11 -4.92 118.68 127.36 1dqi s LEU 123 Ca 0.44 -0.92 0.31 0.00 -0.22 0.00 0.00 54.13 53.73 1dqi s LEU 123 Cb -0.19 -2.48 1.64 0.00 0.50 0.00 0.00 46.19 45.67 1dqi s LEU 123 CO 0.20 -1.04 2.08 -0.62 -1.32 0.00 0.00 176.35 175.65