#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 0.64 -0.00 2.02 2.10 -2.04 -2.32 117.51 117.91 1dqi h ILE 2 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1dqi h ILE 2 Cb 0.00 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1dqi h ILE 2 CO 0.00 0.03 0.04 0.77 -1.08 0.00 0.00 178.15 177.90 1dqi h SER 3 N 0.00 0.00 0.26 2.19 4.64 -2.05 -0.01 113.55 118.58 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 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1dqi h SER 3 CO 0.00 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 1dqi n GLU 4 N -3.12 0.55 0.00 4.77 0.28 -0.87 -2.48 120.64 119.76 1dqi n GLU 4 Ca -0.03 0.03 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1dqi n GLU 4 Cb 0.11 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.48 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 -1.16 0.00 -3.81 3.84 -2.24 -0.02 -4.98 114.28 105.90 1dqi n THR 5 Ca 0.15 -0.46 -0.35 0.00 -2.27 0.00 0.00 64.05 61.12 1dqi n THR 5 Cb 0.15 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.36 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 5.13 0.17 2.28 1.01 -1.04 -3.60 121.20 124.37 1dqi s ILE 6 Ca 0.05 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.86 1dqi s ILE 6 Cb 0.04 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1dqi s ILE 6 CO 0.11 0.42 0.06 -0.13 0.00 0.00 0.00 174.94 175.40 1dqi s ARG 7 N 0.56 2.61 0.30 2.79 0.52 -0.38 -4.95 118.95 120.40 1dqi s ARG 7 Ca 0.06 -1.02 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1dqi s ARG 7 Cb -0.12 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 1dqi s ARG 7 CO 0.00 0.46 0.28 -1.54 0.02 0.00 0.00 175.30 174.52 1dqi s SER 8 N -3.05 1.25 0.00 0.23 1.04 -1.26 -0.99 113.70 110.93 1dqi s SER 8 Ca 0.29 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 55.08 1dqi s SER 8 Cb -0.09 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1dqi s SER 8 CO 0.21 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1dqi n GLY 9 N -0.54 -0.90 3.56 7.32 0.00 -1.26 -5.02 105.19 108.34 1dqi n GLY 9 Ca 0.05 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1dqi n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dqi s ASP 10 N -4.00 6.47 0.32 1.61 1.11 -1.26 -4.91 116.67 116.01 1dqi s ASP 10 Ca 0.00 0.05 0.05 0.00 0.18 0.00 0.00 52.55 52.83 1dqi s ASP 10 Cb 0.00 -2.47 0.54 0.00 1.07 0.00 0.00 42.92 42.06 1dqi s ASP 10 CO 0.00 -1.17 1.80 4.11 1.18 0.00 0.00 175.17 181.10 1dqi h TRP 11 N 9.21 0.47 -0.25 4.23 5.08 -1.95 -3.24 115.95 129.50 1dqi h TRP 11 Ca -0.24 -0.07 -0.53 0.00 1.08 0.00 0.00 58.89 59.12 1dqi h TRP 11 Cb 1.07 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 1dqi h TRP 11 CO 0.91 0.58 1.84 1.17 -1.28 0.00 0.00 178.44 181.66 1dqi n LYS 12 N -4.19 1.73 0.00 0.12 4.81 -1.26 -1.87 118.16 117.49 1dqi n LYS 12 Ca 0.00 -2.23 0.00 0.00 -0.87 0.00 0.00 58.31 55.21 1dqi n LYS 12 Cb 0.33 -3.30 0.00 0.00 0.02 0.00 0.00 35.03 32.08 1dqi n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dqi n GLY 13 N 5.07 -0.59 0.00 3.14 0.00 -1.26 -5.12 105.19 106.43 1dqi n GLY 13 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1dqi n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dqi n GLU 14 N 0.00 3.76 -0.27 1.61 1.02 -0.78 -4.96 120.64 121.02 1dqi n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1dqi n GLU 14 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1dqi n GLU 14 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1dqi n LYS 15 N 0.00 0.00 0.00 3.49 2.85 -1.26 -3.46 118.16 119.78 1dqi n LYS 15 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1dqi n LYS 15 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1dqi n LYS 15 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1dqi n HIS 16 N 0.00 0.00 -1.98 5.58 8.25 -1.26 -4.11 115.22 121.70 1dqi n HIS 16 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1dqi n HIS 16 Cb 0.44 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 1dqi n HIS 16 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dqi s VAL 17 N -1.78 3.37 0.12 1.59 1.01 -1.26 -4.87 120.40 118.57 1dqi s VAL 17 Ca 0.00 0.62 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 1dqi s VAL 17 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 1dqi s VAL 17 CO 0.00 -0.03 1.38 -2.16 0.00 0.00 0.00 175.10 174.29 1dqi s PRO 18 N 3.43 4.33 -0.21 2.72 0.04 -1.26 -4.59 135.00 139.45 1dqi s PRO 18 Ca 0.74 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 63.70 1dqi s PRO 18 Cb -0.36 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1dqi s PRO 18 CO 0.31 -0.42 0.31 0.08 0.04 0.00 0.00 177.00 177.32 1dqi s VAL 19 N 1.03 5.26 -0.18 -0.36 1.01 0.49 -4.58 120.40 123.07 1dqi s VAL 19 Ca 0.64 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.07 1dqi s VAL 19 Cb -0.37 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1dqi s VAL 19 CO 0.31 0.29 0.06 -0.63 0.00 0.00 0.00 175.10 175.12 1dqi s ILE 20 N 1.17 4.72 0.01 2.22 1.01 -1.26 -2.04 121.20 127.03 1dqi s ILE 20 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1dqi s ILE 20 Cb -0.14 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1dqi s ILE 20 CO 0.06 0.46 -0.02 -1.61 0.00 0.00 0.00 174.94 173.83 1dqi s GLU 21 N 0.39 0.20 0.15 2.79 2.02 -0.20 -4.98 118.70 119.07 1dqi s GLU 21 Ca 0.03 -0.34 -0.08 0.00 0.02 0.00 0.00 54.97 54.59 1dqi s GLU 21 Cb -0.13 0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 1dqi s GLU 21 CO 0.00 -0.01 0.25 1.52 0.02 0.00 0.00 175.26 177.03 1dqi s TYR 22 N -0.78 0.41 -0.06 1.61 -0.85 -1.26 0.38 117.35 116.79 1dqi s TYR 22 Ca -0.08 -0.78 -0.03 0.00 -0.52 0.00 0.00 57.07 55.66 1dqi s TYR 22 Cb -0.05 -0.10 0.04 0.00 0.38 0.00 0.00 41.96 42.22 1dqi s TYR 22 CO -0.00 -0.67 0.11 -2.00 -1.52 0.00 0.00 175.55 171.47 1dqi s GLU 23 N -3.96 -0.01 -0.21 -3.49 2.12 -0.38 -4.99 118.70 107.78 1dqi s GLU 23 Ca 0.16 0.45 -0.18 0.00 0.36 0.00 0.00 54.97 55.77 1dqi s GLU 23 Cb 0.04 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 1dqi s GLU 23 CO -0.02 -0.29 0.49 0.50 -0.54 0.00 0.00 175.26 175.41 1dqi s ARG 24 N 2.06 4.16 -0.39 4.30 3.52 -1.26 -1.43 118.95 129.90 1dqi s ARG 24 Ca 0.02 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.99 1dqi s ARG 24 Cb -0.12 -3.58 0.12 0.00 -1.56 0.00 0.00 34.95 29.81 1dqi s ARG 24 CO -0.05 -0.17 0.17 -1.21 -0.81 0.00 0.00 175.30 173.22 1dqi s GLU 25 N 1.73 1.26 7.80 5.12 2.02 0.17 -5.01 118.70 131.79 1dqi s GLU 25 Ca 0.22 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1dqi s GLU 25 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1dqi s GLU 25 CO 0.09 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.72 1dqi n GLY 26 N 3.99 3.48 0.61 -1.39 0.00 -1.26 -0.91 105.19 109.70 1dqi n GLY 26 Ca 0.04 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 12.03 1.83 -4.15 1.61 0.28 -1.26 -4.89 120.64 126.09 1dqi n GLU 27 Ca 0.00 -1.21 -0.36 0.00 -0.16 0.00 0.00 57.16 55.43 1dqi n GLU 27 Cb 0.00 -1.46 -0.08 0.00 1.43 0.00 0.00 31.44 31.33 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 -1.90 3.91 -0.22 -1.84 1.02 -0.09 -1.35 118.68 118.22 1dqi s LEU 28 Ca 0.35 0.26 0.01 0.00 0.02 0.00 0.00 54.13 54.77 1dqi s LEU 28 Cb 0.20 -1.93 0.06 0.00 0.02 0.00 0.00 46.19 44.54 1dqi s LEU 28 CO 0.31 0.37 -0.06 -0.69 0.02 0.00 0.00 176.35 176.31 1dqi s VAL 29 N -0.81 1.48 -0.32 -1.59 1.01 0.21 0.45 120.40 120.84 1dqi s VAL 29 Ca 0.13 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1dqi s VAL 29 Cb -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1dqi s VAL 29 CO 0.03 -0.05 0.43 -0.54 0.00 0.00 0.00 175.10 174.97 1dqi s LYS 30 N 1.43 3.75 -0.12 2.72 1.02 -0.52 -0.43 119.74 127.59 1dqi s LYS 30 Ca -0.05 -0.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.80 1dqi s LYS 30 Cb -0.18 -3.75 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1dqi s LYS 30 CO -0.07 -0.49 -0.09 0.08 -0.92 0.00 0.00 175.35 173.87 1dqi s VAL 31 N 2.20 3.48 -0.14 3.17 1.01 0.24 -1.25 120.40 129.11 1dqi s VAL 31 Ca 0.16 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1dqi s VAL 31 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1dqi s VAL 31 CO 0.12 0.54 -0.19 -0.75 0.00 0.00 0.00 175.10 174.81 1dqi s LYS 32 N -0.00 3.14 -0.05 2.72 2.20 0.16 -0.89 119.74 127.02 1dqi s LYS 32 Ca -0.01 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1dqi s LYS 32 Cb -0.14 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1dqi s LYS 32 CO 0.03 0.07 -0.14 0.08 -0.36 0.00 0.00 175.35 175.03 1dqi s VAL 33 N 0.66 1.25 -0.00 4.02 1.01 0.77 -1.03 120.40 127.07 1dqi s VAL 33 Ca -0.09 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1dqi s VAL 33 Cb -0.16 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1dqi s VAL 33 CO 0.02 0.37 0.33 0.00 0.00 0.00 0.00 175.10 175.82 1dqi s GLN 34 N 0.25 0.71 -0.13 2.72 -2.07 -0.87 0.22 119.66 120.50 1dqi s GLN 34 Ca -0.07 -0.23 -0.01 0.00 -1.82 0.00 0.00 55.36 53.23 1dqi s GLN 34 Cb -0.12 0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1dqi s GLN 34 CO 0.02 -0.21 -0.10 0.08 -1.32 0.00 0.00 175.29 173.77 1dqi s VAL 35 N -1.55 3.33 0.00 3.63 1.01 -1.00 -0.38 120.40 125.45 1dqi s VAL 35 Ca -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1dqi s VAL 35 Cb -0.04 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1dqi s VAL 35 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1dqi n GLY 36 N 3.39 1.08 0.19 4.51 0.00 -1.26 -4.53 105.19 108.58 1dqi n GLY 36 Ca -0.18 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 1dqi n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dqi h LYS 37 N 0.00 -0.44 0.30 1.61 1.79 -1.88 -3.22 116.57 114.72 1dqi h LYS 37 Ca 0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1dqi h LYS 37 Cb 0.41 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1dqi h LYS 37 CO 0.00 -0.30 -0.14 1.49 -1.08 0.00 0.00 179.45 179.42 1dqi h GLU 38 N -0.58 -0.39 -4.80 3.15 4.57 -1.84 -3.42 114.58 111.28 1dqi h GLU 38 Ca -0.05 0.03 -0.68 0.00 -1.18 0.00 0.00 59.36 57.48 1dqi h GLU 38 Cb 0.35 0.09 -0.30 0.00 -0.16 0.00 0.00 28.75 28.73 1dqi h GLU 38 CO 0.08 -0.08 -0.68 0.42 -1.18 0.00 0.00 179.01 177.57 1dqi s ILE 39 N -3.63 3.36 0.10 2.32 1.01 -1.22 -5.05 121.20 118.10 1dqi s ILE 39 Ca -0.11 -1.05 -0.33 0.00 0.00 0.00 0.00 60.65 59.16 1dqi s ILE 39 Cb 0.01 -2.81 -0.13 0.00 0.01 0.00 0.00 42.46 39.54 1dqi s ILE 39 CO 0.39 0.02 1.71 -2.65 0.00 0.00 0.00 174.94 174.42 1dqi n PRO 40 N 4.74 2.36 -2.75 2.79 -0.02 -1.22 -4.19 135.00 136.71 1dqi n PRO 40 Ca -0.14 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 1dqi n PRO 40 Cb 0.46 -2.68 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.00 3.74 0.64 6.00 2.46 -1.26 -4.99 115.29 123.87 1dqi s HIS 41 Ca 0.82 1.81 -0.18 0.00 0.47 0.00 0.00 55.06 57.97 1dqi s HIS 41 Cb -0.62 -2.96 -0.02 0.00 -0.13 0.00 0.00 32.58 28.85 1dqi s HIS 41 CO 0.40 0.19 1.26 -2.30 -2.47 0.00 0.00 174.74 171.82 1dqi n PRO 42 N 0.78 1.13 -3.44 2.88 -0.02 -1.26 -4.96 135.00 130.10 1dqi n PRO 42 Ca 0.01 0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 61.66 1dqi n PRO 42 Cb 0.49 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.70 0.55 -4.65 2.55 2.85 -1.24 -4.29 115.26 109.33 1dqi n ASN 43 Ca 0.15 -2.66 -0.28 0.00 -0.11 0.00 0.00 54.58 51.68 1dqi n ASN 43 Cb 0.48 -0.61 -0.10 0.00 1.24 0.00 0.00 39.78 40.78 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 -0.63 1.94 0.42 -0.44 -4.23 0.23 -4.84 115.64 108.09 1dqi s THR 44 Ca 0.32 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1dqi s THR 44 Cb 0.06 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 71.21 1dqi s THR 44 CO -0.16 0.00 1.99 0.74 -0.54 0.00 0.00 174.62 176.65 1dqi h THR 45 N 1.67 1.13 0.00 3.99 2.02 -1.72 -2.87 112.91 117.12 1dqi h THR 45 Ca -0.44 -0.48 -0.15 0.00 0.77 0.00 0.00 66.41 66.11 1dqi h THR 45 Cb 1.25 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1dqi h THR 45 CO 0.79 0.16 -1.12 -0.33 0.37 0.00 0.00 175.52 175.39 1dqi h GLU 46 N 0.28 0.00 -2.83 6.66 3.07 -1.95 -3.45 114.58 116.35 1dqi h GLU 46 Ca 0.07 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.60 1dqi h GLU 46 Cb 0.19 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 27.73 1dqi h GLU 46 CO 0.00 0.39 -0.65 -1.58 -1.40 0.00 0.00 179.01 175.78 1dqi s HIS 47 N -2.92 -0.17 0.17 4.33 5.04 -1.08 -4.84 115.29 115.82 1dqi s HIS 47 Ca -0.01 0.30 -0.23 0.00 -1.54 0.00 0.00 55.06 53.58 1dqi s HIS 47 Cb 0.08 -0.37 0.06 0.00 0.04 0.00 0.00 32.58 32.39 1dqi s HIS 47 CO 0.79 -0.46 0.68 -3.38 -2.34 0.00 0.00 174.74 170.04 1dqi s HIS 48 N 2.29 -0.40 -0.17 3.88 -3.43 -1.26 -0.60 115.29 115.60 1dqi s HIS 48 Ca 0.04 0.13 -0.24 0.00 -0.80 0.00 0.00 55.06 54.20 1dqi s HIS 48 Cb -0.14 0.60 -0.02 0.00 -1.43 0.00 0.00 32.58 31.59 1dqi s HIS 48 CO -0.09 -0.92 0.75 0.42 -2.00 0.00 0.00 174.74 172.90 1dqi s ILE 49 N -3.70 4.94 0.01 -5.38 -1.09 -1.26 -1.21 121.20 113.52 1dqi s ILE 49 Ca 0.05 1.46 -0.07 0.00 -2.23 0.00 0.00 60.65 59.86 1dqi s ILE 49 Cb -0.02 -4.06 -0.30 0.00 -1.58 0.00 0.00 42.46 36.50 1dqi s ILE 49 CO -0.06 0.08 0.91 0.03 -1.23 0.00 0.00 174.94 174.66 1dqi h ARG 50 N 7.33 0.33 -2.24 2.79 2.47 -1.14 -3.43 114.38 120.49 1dqi h ARG 50 Ca -0.31 -0.56 0.18 0.00 -1.26 0.00 0.00 59.98 58.03 1dqi h ARG 50 Cb 1.14 0.21 -0.10 0.00 -1.65 0.00 0.00 29.97 29.58 1dqi h ARG 50 CO 0.81 1.23 0.52 1.52 0.56 0.00 0.00 179.97 184.60 1dqi s TYR 51 N -2.62 -0.15 -0.02 3.04 -0.85 -1.25 -1.01 117.35 114.49 1dqi s TYR 51 Ca -0.09 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 1dqi s TYR 51 Cb 0.06 0.62 0.02 0.00 0.38 0.00 0.00 41.96 43.04 1dqi s TYR 51 CO 0.88 -0.73 -0.00 0.42 -1.52 0.00 0.00 175.55 174.59 1dqi s ILE 52 N -3.18 0.15 0.07 -3.49 1.01 -0.43 -2.53 121.20 112.80 1dqi s ILE 52 Ca 0.11 0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.92 1dqi s ILE 52 Cb -0.01 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 1dqi s ILE 52 CO 0.00 0.12 -0.26 -1.61 0.00 0.00 0.00 174.94 173.19 1dqi s GLU 53 N 0.77 1.69 -0.06 2.79 2.02 0.91 -0.95 118.70 125.87 1dqi s GLU 53 Ca -0.08 -1.18 0.06 0.00 0.02 0.00 0.00 54.97 53.79 1dqi s GLU 53 Cb -0.11 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.14 1dqi s GLU 53 CO -0.01 0.49 -0.25 -1.17 0.02 0.00 0.00 175.26 174.34 1dqi s LEU 54 N -1.54 2.09 0.15 1.80 2.96 -0.55 -1.14 118.68 122.46 1dqi s LEU 54 Ca 0.13 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 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 0.04 0.23 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.82 1dqi s TYR 55 N -0.10 1.72 -0.05 5.38 1.51 0.44 -0.10 117.35 126.14 1dqi s TYR 55 Ca -0.05 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1dqi s TYR 55 Cb -0.14 -0.87 0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1dqi s TYR 55 CO 0.04 0.28 0.03 0.12 -1.11 0.00 0.00 175.55 174.91 1dqi s PHE 56 N -2.02 0.29 -0.38 2.71 5.36 0.83 -1.16 117.98 123.61 1dqi s PHE 56 Ca 0.14 0.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.15 1dqi s PHE 56 Cb -0.06 -0.56 0.08 0.00 -0.34 0.00 0.00 43.02 42.14 1dqi s PHE 56 CO 0.06 -0.22 0.16 -1.17 -1.46 0.00 0.00 175.22 172.58 1dqi s LEU 57 N 1.91 4.83 0.50 6.12 2.96 -0.31 -1.00 118.68 133.68 1dqi s LEU 57 Ca 0.02 -1.67 -0.23 0.00 -0.22 0.00 0.00 54.13 52.03 1dqi s LEU 57 Cb -0.12 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 1dqi s LEU 57 CO -0.04 -0.46 1.38 -2.65 -1.32 0.00 0.00 176.35 173.27 1dqi n PRO 58 N 4.68 1.93 -1.65 0.98 -0.02 -1.26 -1.62 135.00 138.03 1dqi n PRO 58 Ca -0.07 0.70 -0.47 0.00 -2.02 0.00 0.00 63.50 61.64 1dqi n PRO 58 Cb 0.42 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 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 -0.62 1.94 -0.84 -0.52 2.13 0.55 -1.61 120.64 121.66 1dqi n GLU 59 Ca 0.08 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1dqi n GLU 59 Cb 0.43 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 3.06 1.10 3.96 8.31 0.00 -1.26 -5.00 105.19 115.36 1dqi n GLY 60 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 3.16 -0.04 1.61 2.02 -0.64 -5.05 118.70 119.68 1dqi s GLU 61 Ca 0.00 -0.60 0.21 0.00 0.02 0.00 0.00 54.97 54.60 1dqi s GLU 61 Cb 0.00 -2.65 -0.27 0.00 0.10 0.00 0.00 34.13 31.31 1dqi s GLU 61 CO 0.00 -0.09 0.46 0.09 0.02 0.00 0.00 175.26 175.74 1dqi n ASN 62 N -1.90 0.16 -4.23 -0.19 5.03 -1.26 -4.89 115.26 107.99 1dqi n ASN 62 Ca -0.01 0.07 -0.32 0.00 0.87 0.00 0.00 54.58 55.19 1dqi n ASN 62 Cb 0.57 1.43 -0.16 0.00 -1.02 0.00 0.00 39.78 40.60 1dqi n ASN 62 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1dqi s PHE 63 N -3.19 2.64 0.45 3.10 0.40 -1.26 -5.11 117.98 115.01 1dqi s PHE 63 Ca -0.07 -1.10 -0.22 0.00 -0.60 0.00 0.00 56.93 54.94 1dqi s PHE 63 Cb 0.11 -1.78 -0.09 0.00 0.51 0.00 0.00 43.02 41.78 1dqi s PHE 63 CO 0.87 -0.46 1.03 0.54 0.70 0.00 0.00 175.22 177.89 1dqi s VAL 64 N 0.54 3.86 -0.08 -0.44 0.11 -1.26 -4.72 120.40 118.41 1dqi s VAL 64 Ca -0.13 1.24 0.02 0.00 -2.93 0.00 0.00 61.98 60.19 1dqi s VAL 64 Cb -0.17 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 1dqi s VAL 64 CO 0.04 -0.17 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.20 1dqi s TYR 65 N -1.90 2.75 -0.23 1.54 1.51 -0.17 -4.95 117.35 115.90 1dqi s TYR 65 Ca 0.63 -0.30 -0.25 0.00 -1.01 0.00 0.00 57.07 56.15 1dqi s TYR 65 Cb -0.17 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1dqi s TYR 65 CO 0.21 0.07 0.84 -1.14 -1.11 0.00 0.00 175.55 174.43 1dqi s GLN 66 N -0.40 4.21 -0.02 -0.62 0.74 -1.26 -0.12 119.66 122.19 1dqi s GLN 66 Ca 0.04 0.98 -0.16 0.00 0.05 0.00 0.00 55.36 56.28 1dqi s GLN 66 Cb -0.12 -3.63 -0.33 0.00 1.10 0.00 0.00 33.01 30.03 1dqi s GLN 66 CO 0.02 -0.50 0.84 0.28 -0.55 0.00 0.00 175.29 175.39 1dqi h VAL 67 N 5.39 1.22 -1.75 1.34 2.07 -0.84 -3.48 116.25 120.21 1dqi h VAL 67 Ca -0.24 -2.58 0.32 0.00 0.82 0.00 0.00 66.70 65.02 1dqi h VAL 67 Cb 1.10 2.98 -0.10 0.00 -1.52 0.00 0.00 31.29 33.74 1dqi h VAL 67 CO 0.88 0.79 0.82 -0.83 0.02 0.00 0.00 177.57 179.25 1dqi s GLY 68 N -4.73 -0.29 -0.05 2.17 0.00 -1.10 -5.00 107.32 98.32 1dqi s GLY 68 Ca -0.13 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.98 1dqi s GLY 68 CO 0.88 1.90 0.11 -1.60 0.00 0.00 0.00 173.10 174.39 1dqi s ARG 69 N -2.32 0.06 -0.17 2.90 3.52 -1.26 -1.48 118.95 120.21 1dqi s ARG 69 Ca 0.19 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1dqi s ARG 69 Cb 0.03 -0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 1dqi s ARG 69 CO -0.02 -0.14 -0.18 0.08 -0.81 0.00 0.00 175.30 174.23 1dqi s VAL 70 N 0.98 1.87 -0.19 7.11 1.01 -0.13 -5.00 120.40 126.04 1dqi s VAL 70 Ca -0.08 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1dqi s VAL 70 Cb -0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1dqi s VAL 70 CO -0.04 0.51 0.08 -1.61 0.00 0.00 0.00 175.10 174.04 1dqi s GLU 71 N 1.36 4.02 -0.45 2.72 2.02 -1.26 -1.32 118.70 125.80 1dqi s GLU 71 Ca 0.05 -0.31 -0.15 0.00 0.02 0.00 0.00 54.97 54.57 1dqi s GLU 71 Cb -0.13 -3.28 0.05 0.00 0.10 0.00 0.00 34.13 30.87 1dqi s GLU 71 CO -0.12 0.26 0.36 -0.06 0.02 0.00 0.00 175.26 175.71 1dqi s PHE 72 N 0.43 3.25 -1.68 1.61 0.40 -0.18 -4.96 117.98 116.85 1dqi s PHE 72 Ca 0.04 -0.83 0.18 0.00 -0.60 0.00 0.00 56.93 55.73 1dqi s PHE 72 Cb -0.12 -2.96 0.01 0.00 0.51 0.00 0.00 43.02 40.46 1dqi s PHE 72 CO -0.00 -0.72 0.93 0.25 0.70 0.00 0.00 175.22 176.37 1dqi n THR 73 N 5.18 0.00 -4.18 0.64 -2.24 -1.26 -4.68 114.28 107.74 1dqi n THR 73 Ca -0.12 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 1dqi n THR 73 Cb 0.45 1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.99 3.05 -0.18 6.98 0.00 -1.26 -4.99 121.76 123.37 1dqi s ALA 74 Ca 0.15 -0.92 0.22 0.00 0.00 0.00 0.00 51.96 51.42 1dqi s ALA 74 Cb 0.14 -1.71 0.48 0.00 0.00 0.00 0.00 23.12 22.03 1dqi s ALA 74 CO 0.42 -0.01 1.14 0.72 0.00 0.00 0.00 175.76 178.04 1dqi n HIS 75 N 3.96 0.92 0.00 0.00 -0.00 -1.23 -0.71 115.22 118.15 1dqi n HIS 75 Ca -0.17 -1.61 0.00 0.00 -0.00 0.00 0.00 57.72 55.94 1dqi n HIS 75 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 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 -0.28 2.62 3.73 -1.41 0.00 -0.71 -1.77 105.19 107.37 1dqi n GLY 76 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 2.14 -3.79 1.61 0.00 -1.26 -0.57 120.64 116.77 1dqi n GLU 77 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 57.16 57.87 1dqi n GLU 77 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 31.44 28.94 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 -0.44 -0.22 0.06 -1.84 1.04 -1.12 -4.43 113.70 106.76 1dqi s SER 78 Ca 0.59 -0.47 0.11 0.00 0.48 0.00 0.00 55.95 56.66 1dqi s SER 78 Cb -0.49 0.59 0.48 0.00 0.10 0.00 0.00 66.02 66.70 1dqi s SER 78 CO 0.59 -1.08 1.34 1.33 0.98 0.00 0.00 173.24 176.39 1dqi n VAL 79 N -0.46 1.36 1.27 5.02 0.24 -1.26 -1.10 118.33 123.41 1dqi n VAL 79 Ca -0.05 0.39 0.13 0.00 -2.04 0.00 0.00 64.34 62.77 1dqi n VAL 79 Cb 0.60 -1.28 0.37 0.00 -1.47 0.00 0.00 33.84 32.06 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 -1.66 2.07 0.00 -1.34 3.02 -1.26 -5.05 115.26 111.03 1dqi n ASN 80 Ca 0.02 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 1dqi n ASN 80 Cb 0.10 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.24 1.98 3.76 7.41 0.00 -0.25 -4.93 105.19 114.40 1dqi n GLY 81 Ca 0.17 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.67 3.34 -1.45 1.61 0.04 -1.26 -2.79 135.00 132.82 1dqi s PRO 82 Ca 0.00 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1dqi s PRO 82 Cb 0.00 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1dqi s PRO 82 CO 0.00 -0.93 1.05 0.09 0.04 0.00 0.00 177.00 177.25 1dqi n ASN 83 N -0.97 -5.17 0.00 6.66 4.13 -1.08 -4.90 115.26 113.93 1dqi n ASN 83 Ca 0.10 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1dqi n ASN 83 Cb 0.48 -4.36 0.00 0.00 -1.54 0.00 0.00 39.78 34.35 1dqi n ASN 83 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1dqi n THR 84 N -4.78 0.00 0.19 3.41 -2.24 0.27 -4.78 114.28 106.35 1dqi n THR 84 Ca 0.00 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1dqi n THR 84 Cb 0.55 1.06 0.19 0.00 -2.10 0.00 0.00 70.33 70.03 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 -1.62 3.42 4.64 -1.13 -3.47 113.55 115.39 1dqi h SER 85 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1dqi h SER 85 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 1dqi h SER 85 CO 0.00 0.23 -0.36 -0.67 -0.87 0.00 0.00 176.83 175.16 1dqi n ASP 86 N -3.19 -4.78 -3.87 4.97 4.64 -1.26 -4.98 116.55 108.08 1dqi n ASP 86 Ca 0.02 0.15 -0.29 0.00 -1.38 0.00 0.00 54.79 53.29 1dqi n ASP 86 Cb 0.58 -3.81 -0.16 0.00 -1.04 0.00 0.00 41.12 36.70 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 -2.70 1.16 -0.01 5.18 1.01 -1.26 -5.05 120.40 118.72 1dqi s VAL 87 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1dqi s VAL 87 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1dqi s VAL 87 CO 0.00 -0.13 -0.09 -0.31 0.00 0.00 0.00 175.10 174.57 1dqi s TYR 88 N 1.57 0.85 -0.30 5.22 1.51 -1.26 -1.74 117.35 123.20 1dqi s TYR 88 Ca -0.04 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 55.75 1dqi s TYR 88 Cb -0.18 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1dqi s TYR 88 CO -0.07 -0.02 0.16 0.99 -1.11 0.00 0.00 175.55 175.49 1dqi s THR 89 N -0.17 4.78 0.39 -0.71 2.01 0.11 -4.96 115.64 117.09 1dqi s THR 89 Ca 0.03 -0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.55 1dqi s THR 89 Cb -0.04 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 1dqi s THR 89 CO -0.00 0.14 1.10 -1.61 -0.69 0.00 0.00 174.62 173.56 1dqi s GLU 90 N 1.66 4.15 -1.22 4.92 0.41 -1.26 -4.83 118.70 122.53 1dqi s GLU 90 Ca 0.06 1.67 -0.13 0.00 -0.41 0.00 0.00 54.97 56.15 1dqi s GLU 90 Cb -0.17 -2.65 -0.06 0.00 -1.78 0.00 0.00 34.13 29.48 1dqi s GLU 90 CO 0.07 -0.19 2.30 -0.35 -0.49 0.00 0.00 175.26 176.61 1dqi n PRO 91 N 0.09 2.57 -3.99 0.39 -0.04 -1.26 -4.82 135.00 127.94 1dqi n PRO 91 Ca 0.04 -2.10 -0.30 0.00 -0.04 0.00 0.00 63.50 61.11 1dqi n PRO 91 Cb 0.48 -2.92 -0.16 0.00 -0.04 0.00 0.00 33.50 30.85 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 1.50 -0.08 0.52 1.01 -1.26 -2.37 121.20 123.95 1dqi s ILE 92 Ca 0.53 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1dqi s ILE 92 Cb 0.14 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1dqi s ILE 92 CO -0.02 0.37 -0.21 0.00 0.00 0.00 0.00 174.94 175.07 1dqi s ALA 93 N 1.50 2.33 -0.03 9.38 0.00 0.13 -4.99 121.76 130.08 1dqi s ALA 93 Ca 0.03 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.07 1dqi s ALA 93 Cb -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1dqi s ALA 93 CO -0.10 0.38 -0.23 0.71 0.00 0.00 0.00 175.76 176.52 1dqi s TYR 94 N -0.04 2.42 -0.03 0.00 1.51 -1.26 -0.17 117.35 119.78 1dqi s TYR 94 Ca -0.06 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1dqi s TYR 94 Cb -0.15 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1dqi s TYR 94 CO 0.05 -0.01 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.39 1dqi s PHE 95 N -0.59 0.47 -0.40 2.71 0.40 -0.07 -5.00 117.98 115.51 1dqi s PHE 95 Ca 0.09 -0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.25 1dqi s PHE 95 Cb -0.10 -0.45 0.06 0.00 0.51 0.00 0.00 43.02 43.04 1dqi s PHE 95 CO -0.00 -0.11 0.22 0.08 0.70 0.00 0.00 175.22 176.10 1dqi s VAL 96 N 0.69 4.23 -0.19 -0.44 1.01 -1.26 -0.59 120.40 123.84 1dqi s VAL 96 Ca -0.08 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 1dqi s VAL 96 Cb -0.11 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1dqi s VAL 96 CO -0.01 -0.40 0.06 -0.22 0.00 0.00 0.00 175.10 174.54 1dqi s LEU 97 N 1.45 3.73 -0.43 3.92 2.96 0.43 -4.95 118.68 125.79 1dqi s LEU 97 Ca 0.02 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.83 1dqi s LEU 97 Cb -0.22 -1.95 0.06 0.00 0.50 0.00 0.00 46.19 44.58 1dqi s LEU 97 CO 0.03 0.14 0.30 -0.75 -1.32 0.00 0.00 176.35 174.75 1dqi s LYS 98 N 0.58 2.84 -0.09 1.98 2.20 -1.26 0.65 119.74 126.63 1dqi s LYS 98 Ca 0.03 -1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.07 1dqi s LYS 98 Cb -0.13 -3.92 0.10 0.00 -1.51 0.00 0.00 37.83 32.37 1dqi s LYS 98 CO 0.01 -0.89 0.82 -0.08 -0.36 0.00 0.00 175.35 174.85 1dqi s THR 99 N 1.57 0.00 -1.66 3.43 -1.32 -0.46 -5.02 115.64 112.18 1dqi s THR 99 Ca 0.03 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.65 1dqi s THR 99 Cb -0.22 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.89 1dqi s THR 99 CO 0.06 0.00 0.95 0.29 -2.21 0.00 0.00 174.62 173.71 1dqi n LYS 100 N 0.75 0.97 -2.08 7.08 5.02 -1.26 -4.58 118.16 124.06 1dqi n LYS 100 Ca -0.15 -1.35 -0.29 0.00 -2.02 0.00 0.00 58.31 54.50 1dqi n LYS 100 Cb 0.58 -1.26 0.03 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.12 3.17 0.38 1.97 1.02 -1.26 -5.10 119.74 118.80 1dqi s LYS 101 Ca 0.16 0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.65 1dqi s LYS 101 Cb 0.11 -2.13 -0.07 0.00 -0.52 0.00 0.00 37.83 35.22 1dqi s LYS 101 CO 0.17 -0.73 -0.04 0.15 -0.92 0.00 0.00 175.35 173.98 1dqi s LYS 102 N -5.16 1.90 0.00 1.68 1.02 -1.26 -4.98 119.74 112.94 1dqi s LYS 102 Ca 0.55 -2.01 0.00 0.00 0.02 0.00 0.00 55.97 54.53 1dqi s LYS 102 Cb -0.11 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1dqi s LYS 102 CO 0.50 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1dqi n GLY 103 N -0.89 -0.47 3.17 -3.33 0.00 -0.68 -0.33 105.19 102.66 1dqi n GLY 103 Ca -0.05 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 1.80 -0.13 1.61 2.20 -0.64 0.34 119.74 122.92 1dqi s LYS 104 Ca 0.00 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 54.90 1dqi s LYS 104 Cb 0.00 -1.61 -0.03 0.00 -1.51 0.00 0.00 37.83 34.68 1dqi s LYS 104 CO 0.00 0.32 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.79 1dqi s LEU 105 N -0.14 3.50 0.02 5.43 1.43 0.04 -1.17 118.68 127.79 1dqi s LEU 105 Ca -0.00 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1dqi s LEU 105 Cb -0.10 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1dqi s LEU 105 CO 0.01 0.26 -0.24 -0.31 0.23 0.00 0.00 176.35 176.31 1dqi s TYR 106 N -0.15 2.08 -0.03 0.29 1.51 -0.30 -1.21 117.35 119.54 1dqi s TYR 106 Ca 0.04 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1dqi s TYR 106 Cb -0.13 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1dqi s TYR 106 CO 0.02 0.05 -0.26 0.00 -1.11 0.00 0.00 175.55 174.25 1dqi s ALA 107 N -0.69 2.17 -0.10 3.71 0.00 0.36 -0.42 121.76 126.80 1dqi s ALA 107 Ca 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1dqi s ALA 107 Cb -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1dqi s ALA 107 CO 0.01 0.50 -0.08 -1.17 0.00 0.00 0.00 175.76 175.02 1dqi s LEU 108 N -0.51 1.27 0.18 0.00 2.96 -0.29 -2.10 118.68 120.19 1dqi s LEU 108 Ca 0.07 -0.28 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 1dqi s LEU 108 Cb -0.11 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1dqi s LEU 108 CO 0.00 -0.08 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.83 1dqi s SER 109 N 1.44 2.78 -0.08 3.68 1.04 0.07 -0.06 113.70 122.56 1dqi s SER 109 Ca -0.00 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.54 1dqi s SER 109 Cb -0.13 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.84 1dqi s SER 109 CO -0.05 -0.04 -0.09 -0.47 0.98 0.00 0.00 173.24 173.57 1dqi s TYR 110 N -2.18 1.37 -0.11 5.02 5.04 -1.05 -0.77 117.35 124.67 1dqi s TYR 110 Ca 0.18 -0.58 -0.09 0.00 -2.44 0.00 0.00 57.07 54.14 1dqi s TYR 110 Cb -0.05 -1.09 -0.04 0.00 0.35 0.00 0.00 41.96 41.12 1dqi s TYR 110 CO 0.07 -0.37 0.18 0.00 -1.34 0.00 0.00 175.55 174.10 1dqi h ASN 112 N 5.12 0.00 0.00 0.00 -1.07 -1.47 -3.13 115.58 115.03 1dqi h ASN 112 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.84 1dqi h ASN 112 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1dqi h ASN 112 CO 0.60 0.00 0.00 2.30 0.07 0.00 0.00 177.43 180.41 1dqi n ILE 113 N -3.11 0.00 -1.08 6.14 -5.35 -1.26 -4.80 119.36 109.90 1dqi n ILE 113 Ca -0.02 -0.30 0.07 0.00 -0.27 0.00 0.00 62.75 62.23 1dqi n ILE 113 Cb 0.14 1.07 0.22 0.00 -1.74 0.00 0.00 39.64 39.33 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 -0.50 0.69 -4.58 4.28 8.25 -1.21 -5.10 115.22 117.04 1dqi n HIS 114 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 1dqi n HIS 114 Cb 0.02 -0.29 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 -0.85 -0.04 3.85 -1.41 0.00 -1.19 -4.78 105.19 100.77 1dqi n GLY 115 Ca 0.21 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 4.34 0.04 0.99 1.43 -1.24 -1.41 118.68 122.83 1dqi s LEU 116 Ca 0.00 1.01 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1dqi s LEU 116 Cb 0.00 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 1dqi s LEU 116 CO 0.00 0.11 -0.09 0.26 0.23 0.00 0.00 176.35 176.86 1dqi s TRP 117 N -1.46 0.76 0.19 0.29 0.52 0.05 -1.25 118.94 118.03 1dqi s TRP 117 Ca 0.37 -0.47 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 1dqi s TRP 117 Cb -0.15 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.68 1dqi s TRP 117 CO 0.19 -0.05 0.09 -1.83 0.02 0.00 0.00 176.95 175.37 1dqi s GLU 118 N -1.51 1.14 0.08 4.98 -1.05 -0.16 -0.75 118.70 121.44 1dqi s GLU 118 Ca -0.08 -1.59 -0.27 0.00 -0.15 0.00 0.00 54.97 52.89 1dqi s GLU 118 Cb -0.09 0.14 0.08 0.00 -0.44 0.00 0.00 34.13 33.81 1dqi s GLU 118 CO 0.01 -0.32 0.92 1.21 0.95 0.00 0.00 175.26 178.03 1dqi s ASN 119 N -3.15 -0.27 0.11 0.83 2.47 -0.89 -4.53 114.94 109.50 1dqi s ASN 119 Ca 0.33 -0.21 -0.23 0.00 0.42 0.00 0.00 52.86 53.17 1dqi s ASN 119 Cb 0.07 0.44 0.06 0.00 -1.45 0.00 0.00 41.25 40.38 1dqi s ASN 119 CO 0.09 -0.78 0.56 -1.83 -3.72 0.00 0.00 177.10 171.41 1dqi s GLU 120 N -3.22 1.17 -0.01 0.43 -1.05 -1.26 -0.48 118.70 114.27 1dqi s GLU 120 Ca 0.09 -0.38 -0.16 0.00 -0.15 0.00 0.00 54.97 54.36 1dqi s GLU 120 Cb -0.01 0.53 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1dqi s GLU 120 CO -0.03 -0.47 0.35 0.54 0.95 0.00 0.00 175.26 176.60 1dqi s VAL 121 N -3.19 0.05 0.08 1.83 0.11 -0.35 -4.99 120.40 113.94 1dqi s VAL 121 Ca -0.01 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.29 1dqi s VAL 121 Cb -0.00 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1dqi s VAL 121 CO -0.08 -0.24 0.97 -0.89 -3.33 0.00 0.00 175.10 171.53 1dqi s THR 122 N -1.44 4.61 -0.52 5.04 2.01 -1.26 -0.78 115.64 123.30 1dqi s THR 122 Ca -0.12 2.07 -0.18 0.00 0.31 0.00 0.00 61.69 63.76 1dqi s THR 122 Cb -0.04 -4.32 0.08 0.00 0.01 0.00 0.00 72.50 68.22 1dqi s THR 122 CO 0.04 0.27 0.57 -0.22 -0.69 0.00 0.00 174.62 174.59 1dqi s LEU 123 N 0.31 5.30 0.00 4.42 2.96 0.15 -4.90 118.68 126.93 1dqi s LEU 123 Ca 0.49 -1.18 0.23 0.00 -0.22 0.00 0.00 54.13 53.45 1dqi s LEU 123 Cb -0.23 -2.34 1.39 0.00 0.50 0.00 0.00 46.19 45.51 1dqi s LEU 123 CO 0.29 -0.87 1.75 -0.62 -1.32 0.00 0.00 176.35 175.59