#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 0.68 -0.10 2.02 2.10 -2.04 -2.10 117.51 118.07 1dqi h ILE 2 Ca 0.00 -0.21 0.03 0.00 1.08 0.00 0.00 64.86 65.76 1dqi h ILE 2 Cb 0.00 1.13 -0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1dqi h ILE 2 CO 0.00 0.05 0.20 0.77 -1.08 0.00 0.00 178.15 178.09 1dqi h SER 3 N 0.00 0.00 0.27 2.19 4.64 -2.05 -0.02 113.55 118.58 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 0.01 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.13 1dqi n GLU 4 N -3.37 0.25 0.00 4.77 0.28 -0.79 -1.99 120.64 119.79 1dqi n GLU 4 Ca -0.00 0.12 0.04 0.00 -0.16 0.00 0.00 57.16 57.16 1dqi n GLU 4 Cb 0.29 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.69 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 -1.26 0.00 -3.83 3.84 -2.24 -0.02 -4.97 114.28 105.81 1dqi n THR 5 Ca 0.08 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 1dqi n THR 5 Cb 0.12 1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.79 4.63 0.07 2.28 1.01 -0.84 -3.82 121.20 123.74 1dqi s ILE 6 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1dqi s ILE 6 Cb 0.07 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1dqi s ILE 6 CO 0.12 0.37 0.28 -0.13 0.00 0.00 0.00 174.94 175.58 1dqi s ARG 7 N 1.20 3.53 0.00 2.79 0.52 -0.54 -4.93 118.95 121.53 1dqi s ARG 7 Ca 0.05 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1dqi s ARG 7 Cb -0.14 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.34 1dqi s ARG 7 CO 0.04 0.57 0.29 -1.13 0.02 0.00 0.00 175.30 175.09 1dqi n SER 8 N 0.44 0.58 -3.99 0.23 3.41 -1.26 -1.16 113.62 111.87 1dqi n SER 8 Ca -0.06 -0.83 -0.25 0.00 -0.26 0.00 0.00 58.87 57.47 1dqi n SER 8 Cb 0.52 0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.22 0.80 0.69 5.00 0.00 -1.26 -4.91 107.32 107.42 1dqi s GLY 9 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 44.72 44.13 1dqi s GLY 9 CO 0.00 0.29 1.11 0.99 0.00 0.00 0.00 173.10 175.49 1dqi s ASP 10 N 0.92 4.93 0.03 1.64 1.01 -1.26 -4.99 116.67 118.95 1dqi s ASP 10 Ca -0.10 1.97 0.02 0.00 0.71 0.00 0.00 52.55 55.15 1dqi s ASP 10 Cb -0.15 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1dqi s ASP 10 CO 0.01 -1.75 0.03 -1.66 0.21 0.00 0.00 175.17 172.00 1dqi s TRP 11 N -2.46 3.11 0.14 4.23 -2.14 -1.26 -5.05 118.94 115.51 1dqi s TRP 11 Ca 0.66 0.08 -0.31 0.00 2.66 0.00 0.00 56.10 59.19 1dqi s TRP 11 Cb -0.20 -1.65 -0.10 0.00 -3.10 0.00 0.00 33.47 28.42 1dqi s TRP 11 CO 0.45 0.49 1.75 0.15 -2.66 0.00 0.00 176.95 177.13 1dqi s LYS 12 N -1.83 4.15 0.00 3.25 1.02 -1.26 -3.21 119.74 121.86 1dqi s LYS 12 Ca 0.23 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.75 1dqi s LYS 12 Cb -0.12 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1dqi s LYS 12 CO 0.14 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1dqi n GLY 13 N 4.09 1.12 3.26 -3.33 0.00 -1.26 -5.08 105.19 103.99 1dqi n GLY 13 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.37 -0.20 1.61 2.12 -1.20 -5.12 118.70 116.28 1dqi s GLU 14 Ca 0.00 0.84 -0.21 0.00 0.36 0.00 0.00 54.97 55.97 1dqi s GLU 14 Cb 0.00 0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 1dqi s GLU 14 CO 0.00 -0.18 0.62 0.15 -0.54 0.00 0.00 175.26 175.31 1dqi s LYS 15 N 1.70 4.20 0.00 4.30 -0.14 -1.26 -4.28 119.74 124.26 1dqi s LYS 15 Ca -0.07 0.60 0.00 0.00 -1.36 0.00 0.00 55.97 55.13 1dqi s LYS 15 Cb -0.09 -3.59 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 1dqi s LYS 15 CO -0.13 -0.26 0.00 0.72 -0.76 0.00 0.00 175.35 174.93 1dqi n HIS 16 N 5.11 0.00 -1.68 3.18 8.25 -1.26 -4.35 115.22 124.47 1dqi n HIS 16 Ca -0.01 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.98 1dqi n HIS 16 Cb 0.50 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.03 0.46 -2.28 1.59 0.31 -1.26 -4.87 118.33 110.25 1dqi n VAL 17 Ca 0.00 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1dqi n VAL 17 Cb 0.38 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 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 3.29 4.08 -0.11 5.55 0.04 -1.26 -4.61 135.00 141.99 1dqi s PRO 18 Ca 0.88 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 63.36 1dqi s PRO 18 Cb -0.63 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.00 1dqi s PRO 18 CO 0.46 -0.92 0.80 0.08 0.04 0.00 0.00 177.00 177.46 1dqi s VAL 19 N 4.08 4.95 -0.16 -0.36 1.01 0.28 -4.56 120.40 125.64 1dqi s VAL 19 Ca 0.62 1.61 -0.06 0.00 0.00 0.00 0.00 61.98 64.15 1dqi s VAL 19 Cb -0.24 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1dqi s VAL 19 CO 0.22 0.13 0.02 -0.63 0.00 0.00 0.00 175.10 174.85 1dqi s ILE 20 N 1.46 4.45 0.02 2.22 1.01 -1.26 -1.71 121.20 127.39 1dqi s ILE 20 Ca 0.40 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1dqi s ILE 20 Cb -0.18 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1dqi s ILE 20 CO 0.17 0.49 -0.04 -1.61 0.00 0.00 0.00 174.94 173.95 1dqi s GLU 21 N 0.24 0.30 0.15 2.79 2.02 -0.15 -4.98 118.70 119.07 1dqi s GLU 21 Ca 0.01 -0.48 -0.09 0.00 0.02 0.00 0.00 54.97 54.43 1dqi s GLU 21 Cb -0.13 -0.04 -0.01 0.00 0.10 0.00 0.00 34.13 34.06 1dqi s GLU 21 CO 0.01 -0.01 0.27 1.52 0.02 0.00 0.00 175.26 177.07 1dqi s TYR 22 N -1.04 0.33 -0.03 1.61 -0.85 -1.26 -0.15 117.35 115.96 1dqi s TYR 22 Ca -0.10 -0.71 -0.01 0.00 -0.52 0.00 0.00 57.07 55.73 1dqi s TYR 22 Cb -0.07 -0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.25 1dqi s TYR 22 CO -0.00 -0.68 0.05 -2.00 -1.52 0.00 0.00 175.55 171.40 1dqi s GLU 23 N -3.94 -0.05 -0.34 -3.49 2.12 -0.21 -4.99 118.70 107.80 1dqi s GLU 23 Ca 0.14 0.30 -0.17 0.00 0.36 0.00 0.00 54.97 55.60 1dqi s GLU 23 Cb 0.04 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 1dqi s GLU 23 CO -0.03 -0.25 0.45 0.50 -0.54 0.00 0.00 175.26 175.40 1dqi s ARG 24 N 1.64 3.64 -0.39 4.30 3.52 -1.26 -0.97 118.95 129.42 1dqi s ARG 24 Ca -0.02 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 1dqi s ARG 24 Cb -0.12 -3.79 0.11 0.00 -1.56 0.00 0.00 34.95 29.58 1dqi s ARG 24 CO -0.03 -0.57 0.13 -1.21 -0.81 0.00 0.00 175.30 172.81 1dqi s GLU 25 N 2.24 1.47 7.72 5.12 2.02 0.14 -5.01 118.70 132.40 1dqi s GLU 25 Ca 0.16 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.19 1dqi s GLU 25 Cb -0.16 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1dqi s GLU 25 CO 0.12 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1dqi n GLY 26 N 3.96 3.08 0.43 -1.39 0.00 -1.26 -1.35 105.19 108.66 1dqi n GLY 26 Ca 0.04 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 13.17 1.46 -4.04 1.61 0.28 -1.26 -4.88 120.64 126.98 1dqi n GLU 27 Ca 0.00 -0.87 -0.36 0.00 -0.16 0.00 0.00 57.16 55.77 1dqi n GLU 27 Cb 0.00 -1.48 -0.08 0.00 1.43 0.00 0.00 31.44 31.31 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 -2.14 4.08 -0.27 -1.84 1.43 -0.45 -1.18 118.68 118.31 1dqi s LEU 28 Ca 0.34 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1dqi s LEU 28 Cb 0.20 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.51 1dqi s LEU 28 CO 0.38 0.37 -0.08 -0.69 0.23 0.00 0.00 176.35 176.56 1dqi s VAL 29 N -0.79 2.11 -0.30 -1.59 1.01 0.18 0.26 120.40 121.28 1dqi s VAL 29 Ca 0.13 -1.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.22 1dqi s VAL 29 Cb -0.12 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1dqi s VAL 29 CO 0.03 -0.12 0.59 -0.54 0.00 0.00 0.00 175.10 175.05 1dqi s LYS 30 N 1.11 3.89 -0.14 2.72 1.02 -0.15 -0.72 119.74 127.46 1dqi s LYS 30 Ca -0.06 0.23 -0.01 0.00 0.02 0.00 0.00 55.97 56.16 1dqi s LYS 30 Cb -0.20 -3.73 -0.01 0.00 -0.52 0.00 0.00 37.83 33.37 1dqi s LYS 30 CO -0.06 -0.54 -0.12 0.08 -0.92 0.00 0.00 175.35 173.79 1dqi s VAL 31 N 2.52 3.08 -0.15 3.17 1.01 0.36 -1.05 120.40 129.35 1dqi s VAL 31 Ca 0.23 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1dqi s VAL 31 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1dqi s VAL 31 CO 0.12 0.51 -0.11 -0.75 0.00 0.00 0.00 175.10 174.87 1dqi s LYS 32 N 0.49 3.38 -0.05 2.72 2.20 0.79 -0.28 119.74 128.99 1dqi s LYS 32 Ca -0.08 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 1dqi s LYS 32 Cb -0.16 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 1dqi s LYS 32 CO 0.04 0.11 -0.16 0.08 -0.36 0.00 0.00 175.35 175.06 1dqi s VAL 33 N 0.63 1.37 -0.01 4.02 1.01 0.12 -0.98 120.40 126.57 1dqi s VAL 33 Ca -0.06 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1dqi s VAL 33 Cb -0.15 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1dqi s VAL 33 CO 0.03 0.40 0.38 0.00 0.00 0.00 0.00 175.10 175.90 1dqi s GLN 34 N 0.19 0.76 -0.18 2.72 -2.07 -0.69 0.40 119.66 120.79 1dqi s GLN 34 Ca -0.07 -0.16 -0.03 0.00 -1.82 0.00 0.00 55.36 53.27 1dqi s GLN 34 Cb -0.13 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.12 1dqi s GLN 34 CO 0.03 -0.22 -0.04 0.08 -1.32 0.00 0.00 175.29 173.81 1dqi s VAL 35 N -1.51 3.66 0.00 3.63 1.01 -0.88 -0.56 120.40 125.76 1dqi s VAL 35 Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1dqi s VAL 35 Cb -0.04 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1dqi s VAL 35 CO 0.04 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1dqi n GLY 36 N 3.98 0.95 0.19 4.51 0.00 -1.26 -4.51 105.19 109.05 1dqi n GLY 36 Ca -0.18 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -0.09 0.01 1.61 3.64 -1.94 -3.08 116.57 116.71 1dqi h LYS 37 Ca 0.00 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 1dqi h LYS 37 Cb 0.87 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1dqi h LYS 37 CO 0.00 -0.06 -1.31 1.49 -2.27 0.00 0.00 179.45 177.30 1dqi h GLU 38 N -0.10 0.01 -4.24 1.90 4.81 -2.00 -3.43 114.58 111.53 1dqi h GLU 38 Ca 0.05 -0.02 -0.73 0.00 -0.13 0.00 0.00 59.36 58.52 1dqi h GLU 38 Cb 0.22 0.01 -0.29 0.00 0.63 0.00 0.00 28.75 29.32 1dqi h GLU 38 CO -0.31 1.01 -0.35 0.42 -0.73 0.00 0.00 179.01 179.04 1dqi s ILE 39 N -2.37 4.39 0.46 2.32 -1.09 -1.25 -5.07 121.20 118.58 1dqi s ILE 39 Ca -0.29 -1.77 -0.24 0.00 -2.23 0.00 0.00 60.65 56.13 1dqi s ILE 39 Cb 0.06 -3.87 -0.09 0.00 -1.58 0.00 0.00 42.46 36.98 1dqi s ILE 39 CO 0.60 -0.80 1.15 -0.81 -1.23 0.00 0.00 174.94 173.86 1dqi n PRO 40 N 4.93 1.58 -2.87 2.79 -0.04 -1.16 -4.52 135.00 135.70 1dqi n PRO 40 Ca -0.08 0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 63.61 1dqi n PRO 40 Cb 0.41 -2.26 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 1dqi n PRO 40 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1dqi s HIS 41 N -1.27 3.36 0.68 0.54 2.46 -1.26 -4.83 115.29 114.97 1dqi s HIS 41 Ca 0.65 1.56 -0.17 0.00 0.47 0.00 0.00 55.06 57.57 1dqi s HIS 41 Cb -0.50 -2.80 -0.00 0.00 -0.13 0.00 0.00 32.58 29.14 1dqi s HIS 41 CO 0.55 -0.04 1.09 -2.30 -2.47 0.00 0.00 174.74 171.57 1dqi n PRO 42 N -0.47 0.75 -3.34 2.88 -0.02 -1.26 -4.97 135.00 128.57 1dqi n PRO 42 Ca 0.06 0.31 -0.26 0.00 -2.02 0.00 0.00 63.50 61.59 1dqi n PRO 42 Cb 0.53 -2.33 -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 -1.69 -0.52 -4.57 2.55 2.85 -1.22 -4.24 115.26 108.41 1dqi n ASN 43 Ca 0.14 -2.43 -0.26 0.00 -0.11 0.00 0.00 54.58 51.92 1dqi n ASN 43 Cb 0.49 -0.47 -0.11 0.00 1.24 0.00 0.00 39.78 40.92 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 -0.07 1.78 0.40 -0.44 -4.23 0.12 -4.86 115.64 108.34 1dqi s THR 44 Ca 0.33 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.91 1dqi s THR 44 Cb 0.06 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.24 1dqi s THR 44 CO -0.18 -0.01 2.04 0.74 -0.54 0.00 0.00 174.62 176.67 1dqi h THR 45 N 1.88 1.08 0.00 3.99 2.02 -1.72 -2.78 112.91 117.38 1dqi h THR 45 Ca -0.43 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.42 1dqi h THR 45 Cb 1.24 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1dqi h THR 45 CO 0.78 0.11 -0.95 -0.33 0.37 0.00 0.00 175.52 175.49 1dqi h GLU 46 N 0.59 0.00 -2.71 6.66 3.07 -1.96 -3.46 114.58 116.78 1dqi h GLU 46 Ca 0.19 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.77 1dqi h GLU 46 Cb 0.02 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 27.59 1dqi h GLU 46 CO -0.04 0.36 -0.59 -1.58 -1.40 0.00 0.00 179.01 175.76 1dqi s HIS 47 N -2.98 -0.33 0.12 4.33 5.04 -1.05 -4.84 115.29 115.58 1dqi s HIS 47 Ca 0.01 0.57 -0.25 0.00 -1.54 0.00 0.00 55.06 53.85 1dqi s HIS 47 Cb 0.08 -0.22 0.07 0.00 0.04 0.00 0.00 32.58 32.56 1dqi s HIS 47 CO 0.78 -0.47 0.76 -3.38 -2.34 0.00 0.00 174.74 170.10 1dqi s HIS 48 N 2.36 -0.37 -0.16 3.88 -3.43 -1.26 -0.70 115.29 115.61 1dqi s HIS 48 Ca 0.05 0.14 -0.25 0.00 -0.80 0.00 0.00 55.06 54.19 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 -0.10 -0.80 0.79 0.42 -2.00 0.00 0.00 174.74 173.05 1dqi s ILE 49 N -3.50 4.92 0.01 -5.38 -1.09 -1.26 -1.31 121.20 113.58 1dqi s ILE 49 Ca 0.05 1.56 -0.10 0.00 -2.23 0.00 0.00 60.65 59.93 1dqi s ILE 49 Cb -0.02 -4.11 -0.32 0.00 -1.58 0.00 0.00 42.46 36.44 1dqi s ILE 49 CO -0.07 0.06 0.91 0.03 -1.23 0.00 0.00 174.94 174.65 1dqi h ARG 50 N 7.29 0.41 -2.14 2.79 2.47 -1.11 -3.43 114.38 120.65 1dqi h ARG 50 Ca -0.31 -0.70 0.19 0.00 -1.26 0.00 0.00 59.98 57.91 1dqi h ARG 50 Cb 1.14 0.26 -0.11 0.00 -1.65 0.00 0.00 29.97 29.61 1dqi h ARG 50 CO 0.82 1.31 0.56 1.52 0.56 0.00 0.00 179.97 184.74 1dqi s TYR 51 N -2.61 -0.16 -0.02 3.04 -0.85 -1.25 -1.16 117.35 114.34 1dqi s TYR 51 Ca -0.10 -0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 1dqi s TYR 51 Cb 0.05 0.60 0.01 0.00 0.38 0.00 0.00 41.96 43.00 1dqi s TYR 51 CO 0.90 -0.65 -0.05 0.42 -1.52 0.00 0.00 175.55 174.65 1dqi s ILE 52 N -3.07 0.44 0.04 -3.49 1.01 -0.49 -2.57 121.20 113.07 1dqi s ILE 52 Ca 0.11 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.68 1dqi s ILE 52 Cb -0.00 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1dqi s ILE 52 CO -0.01 0.16 -0.25 -1.61 0.00 0.00 0.00 174.94 173.23 1dqi s GLU 53 N 0.33 1.86 -0.07 2.79 2.02 0.99 -0.99 118.70 125.62 1dqi s GLU 53 Ca -0.04 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 53.92 1dqi s GLU 53 Cb -0.08 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 1dqi s GLU 53 CO -0.00 0.52 -0.25 -1.17 0.02 0.00 0.00 175.26 174.38 1dqi s LEU 54 N -1.25 2.07 0.16 1.80 2.96 -0.46 -1.36 118.68 122.60 1dqi s LEU 54 Ca 0.12 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1dqi s LEU 54 Cb -0.10 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1dqi s LEU 54 CO 0.02 0.21 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.77 1dqi s TYR 55 N 0.04 1.81 -0.04 5.38 1.51 0.60 -0.17 117.35 126.48 1dqi s TYR 55 Ca -0.10 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1dqi s TYR 55 Cb -0.15 -0.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.82 1dqi s TYR 55 CO 0.06 0.32 0.04 0.12 -1.11 0.00 0.00 175.55 174.97 1dqi s PHE 56 N -2.01 0.16 -0.37 2.71 5.36 0.76 -0.96 117.98 123.64 1dqi s PHE 56 Ca 0.15 0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1dqi s PHE 56 Cb -0.06 -0.46 0.09 0.00 -0.34 0.00 0.00 43.02 42.25 1dqi s PHE 56 CO 0.06 -0.18 0.12 -1.17 -1.46 0.00 0.00 175.22 172.60 1dqi s LEU 57 N 1.77 4.74 0.48 6.12 2.96 -0.10 -0.78 118.68 133.87 1dqi s LEU 57 Ca 0.00 -1.75 -0.24 0.00 -0.22 0.00 0.00 54.13 51.93 1dqi s LEU 57 Cb -0.12 -1.78 -0.07 0.00 0.50 0.00 0.00 46.19 44.71 1dqi s LEU 57 CO -0.03 -0.43 1.35 -2.65 -1.32 0.00 0.00 176.35 173.27 1dqi n PRO 58 N 4.59 1.94 -1.67 0.98 -0.02 -1.26 -1.50 135.00 138.06 1dqi n PRO 58 Ca -0.06 0.70 -0.47 0.00 -2.02 0.00 0.00 63.50 61.65 1dqi n PRO 58 Cb 0.42 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.44 2.11 -1.00 -0.52 2.13 0.62 -1.55 120.64 121.98 1dqi n GLU 59 Ca 0.08 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1dqi n GLU 59 Cb 0.42 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.59 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 3.56 1.00 3.97 8.31 0.00 -1.26 -5.00 105.19 115.77 1dqi n GLY 60 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.00 3.23 -0.00 1.61 2.02 -0.60 -5.04 118.70 119.92 1dqi s GLU 61 Ca 0.00 -0.68 0.19 0.00 0.02 0.00 0.00 54.97 54.50 1dqi s GLU 61 Cb 0.00 -2.73 -0.22 0.00 0.10 0.00 0.00 34.13 31.28 1dqi s GLU 61 CO 0.00 0.05 0.78 0.09 0.02 0.00 0.00 175.26 176.20 1dqi n ASN 62 N -1.76 0.86 -3.99 -0.19 3.02 -1.26 -4.88 115.26 107.07 1dqi n ASN 62 Ca -0.02 -0.85 -0.29 0.00 -0.03 0.00 0.00 54.58 53.39 1dqi n ASN 62 Cb 0.57 1.10 -0.17 0.00 -0.61 0.00 0.00 39.78 40.68 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 -2.89 1.91 0.50 3.10 0.40 -1.26 -5.12 117.98 114.63 1dqi s PHE 63 Ca 0.06 -1.01 -0.21 0.00 -0.60 0.00 0.00 56.93 55.17 1dqi s PHE 63 Cb 0.14 -1.45 -0.07 0.00 0.51 0.00 0.00 43.02 42.16 1dqi s PHE 63 CO 0.80 -0.58 1.13 0.54 0.70 0.00 0.00 175.22 177.80 1dqi s VAL 64 N 1.46 3.23 -0.07 -0.44 0.11 -1.26 -4.74 120.40 118.70 1dqi s VAL 64 Ca 0.03 0.82 0.04 0.00 -2.93 0.00 0.00 61.98 59.94 1dqi s VAL 64 Cb -0.13 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.33 1dqi s VAL 64 CO -0.08 -0.11 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.09 1dqi s TYR 65 N -1.71 2.63 -0.18 1.54 4.12 0.04 -4.95 117.35 118.84 1dqi s TYR 65 Ca 0.69 -0.42 -0.26 0.00 0.02 0.00 0.00 57.07 57.10 1dqi s TYR 65 Cb -0.25 -1.66 -0.01 0.00 -1.52 0.00 0.00 41.96 38.53 1dqi s TYR 65 CO 0.29 -0.01 0.85 -1.14 0.02 0.00 0.00 175.55 175.55 1dqi s GLN 66 N -0.36 4.29 -0.06 -0.62 0.74 -1.26 -0.17 119.66 122.22 1dqi s GLN 66 Ca 0.03 1.04 -0.15 0.00 0.05 0.00 0.00 55.36 56.33 1dqi s GLN 66 Cb -0.12 -3.58 -0.30 0.00 1.10 0.00 0.00 33.01 30.10 1dqi s GLN 66 CO 0.02 -0.36 0.69 0.28 -0.55 0.00 0.00 175.29 175.37 1dqi h VAL 67 N 5.22 1.10 -1.80 1.34 2.07 -0.89 -3.48 116.25 119.81 1dqi h VAL 67 Ca -0.28 -2.49 0.32 0.00 0.82 0.00 0.00 66.70 65.07 1dqi h VAL 67 Cb 1.12 2.84 -0.09 0.00 -1.52 0.00 0.00 31.29 33.64 1dqi h VAL 67 CO 0.85 0.77 0.84 -0.83 0.02 0.00 0.00 177.57 179.22 1dqi s GLY 68 N -4.90 -0.26 -0.05 2.17 0.00 -1.11 -5.00 107.32 98.17 1dqi s GLY 68 Ca -0.16 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.88 1dqi s GLY 68 CO 0.82 2.48 0.11 -1.60 0.00 0.00 0.00 173.10 174.91 1dqi s ARG 69 N -2.25 0.08 -0.14 2.90 3.52 -1.26 -1.36 118.95 120.44 1dqi s ARG 69 Ca 0.21 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1dqi s ARG 69 Cb 0.02 -0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.35 1dqi s ARG 69 CO -0.02 -0.10 -0.15 0.08 -0.81 0.00 0.00 175.30 174.31 1dqi s VAL 70 N 0.66 1.57 -0.20 7.11 1.01 -0.17 -5.01 120.40 125.37 1dqi s VAL 70 Ca -0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1dqi s VAL 70 Cb -0.07 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1dqi s VAL 70 CO -0.03 0.46 0.08 -1.61 0.00 0.00 0.00 175.10 174.00 1dqi s GLU 71 N 1.35 3.94 -0.48 2.72 2.02 -1.26 -1.40 118.70 125.59 1dqi s GLU 71 Ca 0.02 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 54.50 1dqi s GLU 71 Cb -0.13 -3.28 0.08 0.00 0.10 0.00 0.00 34.13 30.89 1dqi s GLU 71 CO -0.08 0.18 0.43 -0.06 0.02 0.00 0.00 175.26 175.74 1dqi s PHE 72 N 0.65 3.22 -1.75 1.61 0.40 -0.31 -4.95 117.98 116.85 1dqi s PHE 72 Ca 0.04 -0.91 0.21 0.00 -0.60 0.00 0.00 56.93 55.67 1dqi s PHE 72 Cb -0.13 -3.26 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 1dqi s PHE 72 CO 0.01 -0.84 0.99 0.25 0.70 0.00 0.00 175.22 176.34 1dqi n THR 73 N 5.25 0.00 -4.01 0.64 -2.24 -1.26 -4.69 114.28 107.97 1dqi n THR 73 Ca -0.12 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 1dqi n THR 73 Cb 0.44 1.21 -0.12 0.00 -2.10 0.00 0.00 70.33 69.76 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 -2.38 3.17 -0.21 6.98 0.00 -1.26 -4.99 121.76 123.07 1dqi s ALA 74 Ca 0.16 -0.94 0.22 0.00 0.00 0.00 0.00 51.96 51.40 1dqi s ALA 74 Cb 0.16 -1.88 0.49 0.00 0.00 0.00 0.00 23.12 21.90 1dqi s ALA 74 CO 0.56 -0.11 1.13 0.72 0.00 0.00 0.00 175.76 178.06 1dqi n HIS 75 N 4.16 1.10 -0.01 0.00 -0.00 -1.23 -0.60 115.22 118.64 1dqi n HIS 75 Ca -0.17 -1.82 0.00 0.00 -0.00 0.00 0.00 57.72 55.73 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 -0.41 2.64 3.76 -1.41 0.00 -0.61 -1.77 105.19 107.40 1dqi n GLY 76 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1dqi n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dqi s GLU 77 N -0.11 3.63 0.17 1.61 1.03 -1.26 -0.40 118.70 123.36 1dqi s GLU 77 Ca 0.00 2.38 -0.24 0.00 0.03 0.00 0.00 54.97 57.14 1dqi s GLU 77 Cb 0.00 -2.61 0.06 0.00 -0.80 0.00 0.00 34.13 30.78 1dqi s GLU 77 CO 0.00 -0.85 0.83 -1.54 -1.33 0.00 0.00 175.26 172.37 1dqi s SER 78 N -0.58 -0.28 0.29 0.83 1.04 -1.05 -4.42 113.70 109.53 1dqi s SER 78 Ca 0.62 -0.37 0.21 0.00 0.48 0.00 0.00 55.95 56.90 1dqi s SER 78 Cb -0.43 0.57 1.09 0.00 0.10 0.00 0.00 66.02 67.34 1dqi s SER 78 CO 0.55 -1.02 1.66 1.33 0.98 0.00 0.00 173.24 176.73 1dqi n VAL 79 N -0.43 1.01 -0.48 5.02 0.24 -1.26 -0.88 118.33 121.55 1dqi n VAL 79 Ca -0.07 0.59 0.08 0.00 -2.04 0.00 0.00 64.34 62.89 1dqi n VAL 79 Cb 0.61 -1.57 0.34 0.00 -1.47 0.00 0.00 33.84 31.75 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 -2.23 4.64 0.00 -1.34 3.02 -1.26 -5.04 115.26 113.05 1dqi n ASN 80 Ca -0.00 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1dqi n ASN 80 Cb 0.09 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 0.89 1.80 3.77 7.41 0.00 -0.06 -4.88 105.19 114.13 1dqi n GLY 81 Ca 0.24 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.89 3.89 -1.36 1.61 0.04 -1.26 -2.54 135.00 133.49 1dqi s PRO 82 Ca 0.00 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 1dqi s PRO 82 Cb 0.00 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1dqi s PRO 82 CO 0.00 -0.47 1.16 0.09 0.04 0.00 0.00 177.00 177.83 1dqi n ASN 83 N -0.18 -6.02 0.00 6.66 5.03 -1.01 -4.91 115.26 114.83 1dqi n ASN 83 Ca 0.06 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.94 1dqi n ASN 83 Cb 0.47 -4.96 0.00 0.00 -1.02 0.00 0.00 39.78 34.27 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 -4.94 0.00 0.23 3.41 -2.24 0.46 -4.78 114.28 106.42 1dqi n THR 84 Ca -0.01 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1dqi n THR 84 Cb 0.56 1.04 0.30 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.98 3.42 4.64 -1.18 -3.47 113.55 114.98 1dqi h SER 85 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1dqi h SER 85 Cb 0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 1dqi h SER 85 CO 0.00 0.05 -0.42 -0.67 -0.87 0.00 0.00 176.83 174.92 1dqi n ASP 86 N -3.12 -5.29 -3.90 4.97 4.64 -1.26 -4.97 116.55 107.61 1dqi n ASP 86 Ca 0.03 0.16 -0.30 0.00 -1.38 0.00 0.00 54.79 53.30 1dqi n ASP 86 Cb 0.49 -4.38 -0.16 0.00 -1.04 0.00 0.00 41.12 36.03 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 -2.83 1.31 -0.02 5.18 1.01 -1.26 -5.05 120.40 118.74 1dqi s VAL 87 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.00 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 -0.05 -0.06 -0.31 0.00 0.00 0.00 175.10 174.68 1dqi s TYR 88 N 1.51 0.66 -0.30 5.22 1.51 -1.26 -1.57 117.35 123.12 1dqi s TYR 88 Ca -0.04 -0.14 -0.11 0.00 -1.01 0.00 0.00 57.07 55.78 1dqi s TYR 88 Cb -0.18 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1dqi s TYR 88 CO -0.07 -0.06 0.19 0.99 -1.11 0.00 0.00 175.55 175.49 1dqi s THR 89 N 0.15 5.05 0.36 -0.71 2.01 0.23 -4.95 115.64 117.78 1dqi s THR 89 Ca -0.02 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 1dqi s THR 89 Cb -0.06 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1dqi s THR 89 CO -0.00 0.14 1.09 -1.61 -0.69 0.00 0.00 174.62 173.55 1dqi s GLU 90 N 1.70 4.30 -1.18 4.92 0.41 -1.26 -4.83 118.70 122.77 1dqi s GLU 90 Ca 0.06 1.67 -0.12 0.00 -0.41 0.00 0.00 54.97 56.17 1dqi s GLU 90 Cb -0.17 -2.78 -0.07 0.00 -1.78 0.00 0.00 34.13 29.34 1dqi s GLU 90 CO 0.09 -0.06 2.31 -0.35 -0.49 0.00 0.00 175.26 176.76 1dqi n PRO 91 N 0.37 2.53 -4.13 0.39 -0.04 -1.26 -4.82 135.00 128.04 1dqi n PRO 91 Ca 0.03 -1.97 -0.30 0.00 -0.04 0.00 0.00 63.50 61.21 1dqi n PRO 91 Cb 0.47 -2.82 -0.16 0.00 -0.04 0.00 0.00 33.50 30.95 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 3.41 1.62 -0.04 0.52 1.01 -1.26 -2.06 121.20 124.39 1dqi s ILE 92 Ca 0.53 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1dqi s ILE 92 Cb 0.14 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 1dqi s ILE 92 CO -0.02 0.47 -0.24 0.00 0.00 0.00 0.00 174.94 175.15 1dqi s ALA 93 N 1.36 2.23 -0.04 9.38 0.00 0.16 -4.99 121.76 129.87 1dqi s ALA 93 Ca 0.03 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1dqi s ALA 93 Cb -0.13 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1dqi s ALA 93 CO -0.09 0.49 -0.16 -0.47 0.00 0.00 0.00 175.76 175.53 1dqi s TYR 94 N -0.46 1.63 -0.03 0.00 5.04 -1.26 0.15 117.35 122.42 1dqi s TYR 94 Ca 0.05 -0.46 0.03 0.00 -2.44 0.00 0.00 57.07 54.24 1dqi s TYR 94 Cb -0.11 -1.10 0.00 0.00 0.35 0.00 0.00 41.96 41.10 1dqi s TYR 94 CO 0.01 -0.16 -0.10 -0.06 -1.34 0.00 0.00 175.55 173.90 1dqi s PHE 95 N 0.06 1.01 -0.40 4.97 0.40 0.62 -4.99 117.98 119.65 1dqi s PHE 95 Ca -0.04 -0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1dqi s PHE 95 Cb -0.11 -0.71 0.07 0.00 0.51 0.00 0.00 43.02 42.77 1dqi s PHE 95 CO 0.02 -0.11 0.22 0.08 0.70 0.00 0.00 175.22 176.14 1dqi s VAL 96 N 0.19 4.13 -0.22 -0.44 1.01 -1.26 -0.48 120.40 123.32 1dqi s VAL 96 Ca -0.03 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.53 1dqi s VAL 96 Cb -0.09 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1dqi s VAL 96 CO 0.01 -0.43 0.07 -0.22 0.00 0.00 0.00 175.10 174.53 1dqi s LEU 97 N 1.42 3.62 -0.43 3.92 2.96 0.10 -4.95 118.68 125.32 1dqi s LEU 97 Ca 0.02 -0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.69 1dqi s LEU 97 Cb -0.22 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.55 1dqi s LEU 97 CO 0.02 0.05 0.41 -0.75 -1.32 0.00 0.00 176.35 174.76 1dqi s LYS 98 N 1.11 3.05 -0.04 1.98 2.20 -1.26 0.51 119.74 127.28 1dqi s LYS 98 Ca 0.04 -0.91 -0.29 0.00 -0.36 0.00 0.00 55.97 54.45 1dqi s LYS 98 Cb -0.14 -4.00 0.10 0.00 -1.51 0.00 0.00 37.83 32.27 1dqi s LYS 98 CO 0.03 -0.88 0.82 -0.08 -0.36 0.00 0.00 175.35 174.88 1dqi s THR 99 N 1.99 0.00 -0.90 3.43 -1.32 -0.33 -5.02 115.64 113.49 1dqi s THR 99 Ca 0.09 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 1dqi s THR 99 Cb -0.19 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.91 1dqi s THR 99 CO 0.12 0.00 0.88 0.29 -2.21 0.00 0.00 174.62 173.70 1dqi n LYS 100 N 0.39 0.94 -2.28 7.08 5.02 -1.26 -4.55 118.16 123.50 1dqi n LYS 100 Ca -0.14 -1.25 -0.28 0.00 -2.02 0.00 0.00 58.31 54.63 1dqi n LYS 100 Cb 0.60 -1.17 0.03 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.77 3.00 0.34 1.97 1.02 -1.26 -5.10 119.74 118.94 1dqi s LYS 101 Ca 0.12 0.16 0.09 0.00 0.02 0.00 0.00 55.97 56.36 1dqi s LYS 101 Cb 0.07 -2.22 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1dqi s LYS 101 CO 0.10 -0.72 -0.09 0.15 -0.92 0.00 0.00 175.35 173.87 1dqi s LYS 102 N -5.06 1.80 0.00 1.68 1.02 -1.26 -4.98 119.74 112.94 1dqi s LYS 102 Ca 0.54 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.60 1dqi s LYS 102 Cb -0.11 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1dqi s LYS 102 CO 0.47 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 1dqi n GLY 103 N -0.78 -0.57 3.19 -3.33 0.00 -0.68 -0.28 105.19 102.74 1dqi n GLY 103 Ca -0.05 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.70 2.02 -0.14 1.61 2.20 -0.56 -0.03 119.74 123.13 1dqi s LYS 104 Ca 0.00 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1dqi s LYS 104 Cb 0.00 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.52 1dqi s LYS 104 CO 0.00 0.33 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.80 1dqi s LEU 105 N -0.12 3.47 0.08 5.43 1.43 -0.06 -0.92 118.68 127.98 1dqi s LEU 105 Ca -0.02 -0.01 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1dqi s LEU 105 Cb -0.12 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1dqi s LEU 105 CO 0.02 0.23 -0.25 -0.31 0.23 0.00 0.00 176.35 176.26 1dqi s TYR 106 N 0.03 2.21 -0.04 0.29 1.51 -0.13 -1.12 117.35 120.10 1dqi s TYR 106 Ca 0.02 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 1dqi s TYR 106 Cb -0.13 -1.26 -0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1dqi s TYR 106 CO 0.02 0.21 -0.16 0.00 -1.11 0.00 0.00 175.55 174.51 1dqi s ALA 107 N -0.93 1.43 -0.10 3.71 0.00 0.11 -0.30 121.76 125.69 1dqi s ALA 107 Ca 0.12 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1dqi s ALA 107 Cb -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1dqi s ALA 107 CO 0.04 0.28 -0.16 -1.17 0.00 0.00 0.00 175.76 174.75 1dqi s LEU 108 N -0.04 1.75 0.19 0.00 2.96 -0.46 -1.88 118.68 121.20 1dqi s LEU 108 Ca -0.02 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1dqi s LEU 108 Cb -0.10 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 1dqi s LEU 108 CO 0.01 0.04 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.06 1dqi s SER 109 N 0.84 2.05 -0.04 3.68 1.04 0.22 -0.01 113.70 121.48 1dqi s SER 109 Ca -0.10 -1.08 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 1dqi s SER 109 Cb -0.15 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 65.95 1dqi s SER 109 CO 0.01 -0.34 -0.00 -0.47 0.98 0.00 0.00 173.24 173.42 1dqi s TYR 110 N -3.25 0.47 -0.12 5.02 5.04 -1.06 -0.85 117.35 122.61 1dqi s TYR 110 Ca 0.22 -0.06 -0.11 0.00 -2.44 0.00 0.00 57.07 54.67 1dqi s TYR 110 Cb 0.03 -0.57 -0.05 0.00 0.35 0.00 0.00 41.96 41.72 1dqi s TYR 110 CO 0.05 -0.20 0.23 0.00 -1.34 0.00 0.00 175.55 174.29 1dqi h ASN 112 N 5.58 0.00 0.00 0.00 -1.07 -1.52 -2.93 115.58 115.64 1dqi h ASN 112 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 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 0.66 0.00 0.00 2.30 0.07 0.00 0.00 177.43 180.46 1dqi n ILE 113 N -3.12 0.00 -1.17 6.14 -5.35 -1.26 -4.79 119.36 109.81 1dqi n ILE 113 Ca -0.03 -0.35 0.08 0.00 -0.27 0.00 0.00 62.75 62.18 1dqi n ILE 113 Cb 0.10 1.13 0.18 0.00 -1.74 0.00 0.00 39.64 39.31 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 -0.40 0.23 -4.80 4.28 8.25 -1.12 -5.11 115.22 116.54 1dqi n HIS 114 Ca 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 1dqi n HIS 114 Cb 0.03 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.92 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 -1.21 0.53 3.84 -1.41 0.00 -1.14 -4.73 105.19 101.08 1dqi n GLY 115 Ca 0.19 -0.87 -0.34 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 4.27 0.04 0.99 1.43 -1.25 -1.51 118.68 122.65 1dqi s LEU 116 Ca 0.00 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1dqi s LEU 116 Cb 0.00 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 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 -1.61 0.53 0.15 0.29 0.52 -0.03 -1.47 118.94 117.33 1dqi s TRP 117 Ca 0.43 -0.53 -0.02 0.00 0.02 0.00 0.00 56.10 55.99 1dqi s TRP 117 Cb -0.14 -0.33 -0.04 0.00 -1.15 0.00 0.00 33.47 31.81 1dqi s TRP 117 CO 0.20 -0.13 0.10 -1.83 0.02 0.00 0.00 176.95 175.31 1dqi s GLU 118 N -1.66 1.01 0.14 4.98 -1.05 -0.31 -0.61 118.70 121.21 1dqi s GLU 118 Ca -0.11 -1.44 -0.25 0.00 -0.15 0.00 0.00 54.97 53.03 1dqi s GLU 118 Cb -0.09 0.27 0.07 0.00 -0.44 0.00 0.00 34.13 33.93 1dqi s GLU 118 CO -0.00 -0.31 0.79 1.21 0.95 0.00 0.00 175.26 177.90 1dqi s ASN 119 N -3.06 -0.35 0.03 0.83 3.84 -0.79 -4.54 114.94 110.90 1dqi s ASN 119 Ca 0.26 -0.23 -0.24 0.00 0.21 0.00 0.00 52.86 52.86 1dqi s ASN 119 Cb 0.07 0.54 0.05 0.00 -0.55 0.00 0.00 41.25 41.36 1dqi s ASN 119 CO 0.03 -0.94 0.54 -1.83 -2.79 0.00 0.00 177.10 172.12 1dqi s GLU 120 N -3.50 1.03 0.01 0.43 -1.05 -1.26 -0.71 118.70 113.65 1dqi s GLU 120 Ca 0.07 -0.14 -0.10 0.00 -0.15 0.00 0.00 54.97 54.65 1dqi s GLU 120 Cb -0.02 0.47 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 1dqi s GLU 120 CO -0.04 -0.36 0.20 0.54 0.95 0.00 0.00 175.26 176.55 1dqi s VAL 121 N -2.19 0.08 -0.06 1.83 0.11 -0.28 -4.99 120.40 114.90 1dqi s VAL 121 Ca -0.07 -0.70 -0.28 0.00 -2.93 0.00 0.00 61.98 58.00 1dqi s VAL 121 Cb -0.01 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1dqi s VAL 121 CO 0.00 -0.38 0.93 -0.89 -3.33 0.00 0.00 175.10 171.43 1dqi s THR 122 N -1.76 4.87 -0.50 5.04 2.01 -1.26 -0.89 115.64 123.15 1dqi s THR 122 Ca -0.11 1.92 -0.20 0.00 0.31 0.00 0.00 61.69 63.61 1dqi s THR 122 Cb -0.05 -4.26 0.05 0.00 0.01 0.00 0.00 72.50 68.25 1dqi s THR 122 CO 0.01 0.11 0.67 -0.22 -0.69 0.00 0.00 174.62 174.50 1dqi s LEU 123 N 1.43 4.77 0.00 4.42 2.96 0.96 -4.92 118.68 128.30 1dqi s LEU 123 Ca 0.47 -0.75 0.28 0.00 -0.22 0.00 0.00 54.13 53.91 1dqi s LEU 123 Cb -0.19 -2.54 1.00 0.00 0.50 0.00 0.00 46.19 44.96 1dqi s LEU 123 CO 0.22 -0.93 1.71 -0.62 -1.32 0.00 0.00 176.35 175.41