#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcp s ARG 7 N 0.00 4.28 0.44 -1.40 3.52 -1.26 -4.30 118.95 120.23 1dcp s ARG 7 Ca 0.00 1.87 -0.25 0.00 -0.13 0.00 0.00 55.73 57.23 1dcp s ARG 7 Cb 0.00 -2.88 -0.08 0.00 -1.56 0.00 0.00 34.95 30.43 1dcp s ARG 7 CO 0.00 -0.13 1.28 -0.51 -0.81 0.00 0.00 175.30 175.12 1dcp s LEU 8 N -2.09 4.11 0.00 -0.88 1.43 -0.27 -4.98 118.68 116.00 1dcp s LEU 8 Ca 0.52 2.58 -0.08 0.00 -1.03 0.00 0.00 54.13 56.12 1dcp s LEU 8 Cb -0.32 -4.05 0.17 0.00 0.03 0.00 0.00 46.19 42.02 1dcp s LEU 8 CO 0.41 -0.98 1.06 -1.54 0.23 0.00 0.00 176.35 175.53 1dcp n SER 9 N -0.20 0.65 0.12 2.29 3.41 -1.26 -4.87 113.62 113.75 1dcp n SER 9 Ca 0.06 -1.73 -0.01 0.00 -0.26 0.00 0.00 58.87 56.93 1dcp n SER 9 Cb 0.45 -0.76 0.04 0.00 -0.26 0.00 0.00 64.21 63.68 1dcp n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dcp h ALA 10 N -1.22 0.64 -0.41 7.33 0.00 -1.99 -1.82 119.26 121.78 1dcp h ALA 10 Ca -0.35 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 53.89 1dcp h ALA 10 Cb 1.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1dcp h ALA 10 CO 0.30 0.84 -0.01 0.93 0.00 0.00 0.00 179.25 181.31 1dcp h GLU 11 N 0.00 0.74 0.24 0.00 5.08 -1.98 -2.19 114.58 116.46 1dcp h GLU 11 Ca -0.01 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1dcp h GLU 11 Cb 1.42 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1dcp h GLU 11 CO 0.09 0.82 -0.14 0.93 -1.00 0.00 0.00 179.01 179.71 1dcp h GLU 12 N 0.57 -0.35 -0.88 2.33 5.08 -1.90 -1.52 114.58 117.91 1dcp h GLU 12 Ca 0.12 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 1dcp h GLU 12 Cb 0.49 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1dcp h GLU 12 CO 0.02 -0.23 0.50 0.00 -1.00 0.00 0.00 179.01 178.30 1dcp h ARG 13 N -0.36 0.75 0.00 2.33 3.08 -1.32 0.52 114.38 119.37 1dcp h ARG 13 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1dcp h ARG 13 Cb 0.29 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1dcp h ARG 13 CO 0.03 0.49 -0.11 0.22 -1.07 0.00 0.00 179.97 179.53 1dcp h ASP 14 N 0.77 0.00 0.08 7.04 3.58 -0.96 0.11 116.42 127.04 1dcp h ASP 14 Ca 0.46 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.65 1dcp h ASP 14 Cb 0.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1dcp h ASP 14 CO -0.30 0.11 -1.35 1.56 -2.88 0.00 0.00 179.24 176.37 1dcp h GLN 15 N 0.00 0.17 0.13 0.28 4.20 0.94 -3.42 115.11 117.41 1dcp h GLN 15 Ca -0.00 -0.29 -0.28 0.00 0.06 0.00 0.00 58.65 58.14 1dcp h GLN 15 Cb 0.42 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1dcp h GLN 15 CO 0.01 1.14 -1.43 -0.07 -0.67 0.00 0.00 178.83 177.81 1dcp h LEU 16 N -0.48 0.42 -0.18 1.46 3.38 -0.81 -3.42 115.31 115.69 1dcp h LEU 16 Ca -0.31 -0.87 0.05 0.00 0.09 0.00 0.00 57.88 56.84 1dcp h LEU 16 Cb 1.63 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 1dcp h LEU 16 CO -0.01 1.63 -0.23 -0.07 0.09 0.00 0.00 178.44 179.85 1dcp h LEU 17 N -0.25 -0.73 -0.95 1.67 3.38 -0.97 -3.27 115.31 114.19 1dcp h LEU 17 Ca -0.30 0.13 0.19 0.00 0.09 0.00 0.00 57.88 57.98 1dcp h LEU 17 Cb 1.80 0.34 -0.18 0.00 0.09 0.00 0.00 40.66 42.71 1dcp h LEU 17 CO 0.08 -0.28 -0.25 -0.65 0.09 0.00 0.00 178.44 177.43 1dcp h PRO 18 N -0.27 -0.00 -0.82 1.13 0.11 -1.80 0.27 132.00 130.61 1dcp h PRO 18 Ca 0.12 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.36 1dcp h PRO 18 Cb 0.45 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.50 1dcp h PRO 18 CO -0.34 -0.00 0.54 -0.91 -0.21 0.00 0.00 178.00 177.08 1dcp h ASN 19 N -0.00 0.57 0.38 -2.05 2.35 -1.86 0.39 115.58 115.36 1dcp h ASN 19 Ca 0.45 0.03 -0.32 0.00 -0.55 0.00 0.00 56.30 55.91 1dcp h ASN 19 Cb 0.69 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.99 1dcp h ASN 19 CO -0.98 0.30 -1.49 -0.07 -1.65 0.00 0.00 177.43 173.54 1dcp h LEU 20 N 0.61 0.60 -0.78 1.61 3.38 -1.08 -3.23 115.31 116.41 1dcp h LEU 20 Ca 0.40 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1dcp h LEU 20 Cb 0.70 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1dcp h LEU 20 CO -0.16 1.58 0.36 -0.09 0.09 0.00 0.00 178.44 180.22 1dcp h ARG 21 N 0.10 1.14 -0.40 1.13 9.65 0.43 -0.82 114.38 125.62 1dcp h ARG 21 Ca -0.24 -0.18 0.08 0.00 -1.10 0.00 0.00 59.98 58.54 1dcp h ARG 21 Cb 2.08 -0.20 -0.08 0.00 -1.39 0.00 0.00 29.97 30.38 1dcp h ARG 21 CO 0.22 0.89 -0.14 0.00 2.80 0.00 0.00 179.97 183.74 1dcp h ALA 22 N 1.19 0.20 -0.57 2.80 0.00 -0.33 -2.13 119.26 120.42 1dcp h ALA 22 Ca 0.27 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1dcp h ALA 22 Cb 0.14 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1dcp h ALA 22 CO -0.03 -0.50 0.32 0.28 0.00 0.00 0.00 179.25 179.32 1dcp h VAL 23 N -0.06 1.17 0.00 0.00 2.07 -1.53 -3.47 116.25 114.44 1dcp h VAL 23 Ca 0.19 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1dcp h VAL 23 Cb 0.35 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1dcp h VAL 23 CO -0.44 0.19 0.00 0.61 0.02 0.00 0.00 177.57 177.95 1dcp n GLY 24 N -1.28 -0.68 3.84 2.17 0.00 -0.80 -5.11 105.19 103.32 1dcp n GLY 24 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1dcp n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dcp s TRP 25 N -0.30 3.29 -0.26 1.61 0.52 -0.36 -4.75 118.94 118.69 1dcp s TRP 25 Ca 0.00 1.31 -0.25 0.00 0.02 0.00 0.00 56.10 57.17 1dcp s TRP 25 Cb 0.00 -2.87 0.08 0.00 -1.15 0.00 0.00 33.47 29.54 1dcp s TRP 25 CO 0.00 -1.09 0.79 1.21 0.02 0.00 0.00 176.95 177.88 1dcp s ASN 26 N -4.00 -0.67 0.67 2.95 3.04 -0.57 -4.35 114.94 112.00 1dcp s ASN 26 Ca 0.57 1.27 -0.16 0.00 0.04 0.00 0.00 52.86 54.57 1dcp s ASN 26 Cb -0.13 1.27 0.01 0.00 -1.54 0.00 0.00 41.25 40.86 1dcp s ASN 26 CO 0.54 -0.25 1.20 -1.61 -3.04 0.00 0.00 177.10 173.94 1dcp s GLU 27 N 0.23 2.51 0.43 0.43 2.02 -1.26 -1.38 118.70 121.69 1dcp s GLU 27 Ca 0.00 1.76 -0.06 0.00 0.02 0.00 0.00 54.97 56.69 1dcp s GLU 27 Cb -0.05 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1dcp s GLU 27 CO -0.00 -1.55 0.74 -0.51 0.02 0.00 0.00 175.26 173.96 1dcp s LEU 28 N -4.72 3.75 -0.12 1.80 1.43 -0.78 -4.85 118.68 115.19 1dcp s LEU 28 Ca 0.75 0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 54.51 1dcp s LEU 28 Cb -0.29 -3.83 -0.27 0.00 0.03 0.00 0.00 46.19 41.83 1dcp s LEU 28 CO 0.40 -0.48 0.72 -0.08 0.23 0.00 0.00 176.35 177.14 1dcp h GLU 29 N 0.65 0.09 -0.01 1.70 4.81 -1.94 -3.34 114.58 116.54 1dcp h GLU 29 Ca -0.47 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1dcp h GLU 29 Cb 1.20 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1dcp h GLU 29 CO 0.63 1.07 -0.11 0.41 -0.73 0.00 0.00 179.01 180.28 1dcp n GLY 30 N 1.61 -0.79 3.31 1.92 0.00 -1.26 -4.93 105.19 105.05 1dcp n GLY 30 Ca -0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1dcp n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dcp s ARG 31 N -2.39 1.05 -1.28 1.61 1.70 -1.25 -5.07 118.95 113.31 1dcp s ARG 31 Ca 0.30 -0.71 -0.17 0.00 -0.47 0.00 0.00 55.73 54.68 1dcp s ARG 31 Cb 0.20 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 35.04 1dcp s ARG 31 CO 0.46 -0.40 2.03 -3.47 -1.08 0.00 0.00 175.30 172.84 1dcp n ASP 32 N -0.19 3.83 -3.94 -2.89 2.03 -1.26 -3.81 116.55 110.32 1dcp n ASP 32 Ca -0.16 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.23 1dcp n ASP 32 Cb 0.64 -1.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.38 1dcp n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dcp s ALA 33 N 4.39 -0.06 0.00 -1.67 0.00 -1.26 -2.93 121.76 120.23 1dcp s ALA 33 Ca 0.52 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1dcp s ALA 33 Cb 0.10 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 1dcp s ALA 33 CO 0.01 -0.65 -0.06 0.96 0.00 0.00 0.00 175.76 176.01 1dcp s ILE 34 N -3.96 3.68 0.10 0.00 -4.36 0.14 -1.87 121.20 114.94 1dcp s ILE 34 Ca 0.16 -0.76 0.07 0.00 -0.26 0.00 0.00 60.65 59.86 1dcp s ILE 34 Cb 0.03 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 1dcp s ILE 34 CO -0.01 0.40 -0.17 0.12 0.24 0.00 0.00 174.94 175.53 1dcp s PHE 35 N -1.00 1.51 -0.28 1.37 5.36 -0.48 0.27 117.98 124.73 1dcp s PHE 35 Ca 0.17 -0.47 -0.16 0.00 -0.96 0.00 0.00 56.93 55.51 1dcp s PHE 35 Cb -0.11 -0.81 0.09 0.00 -0.34 0.00 0.00 43.02 41.85 1dcp s PHE 35 CO 0.07 0.16 0.73 0.21 -1.46 0.00 0.00 175.22 174.93 1dcp s LYS 36 N -2.16 0.65 -0.21 10.12 2.20 -0.42 -1.51 119.74 128.42 1dcp s LYS 36 Ca 0.05 1.16 -0.06 0.00 -0.36 0.00 0.00 55.97 56.76 1dcp s LYS 36 Cb -0.08 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1dcp s LYS 36 CO 0.04 -0.14 0.03 1.14 -0.36 0.00 0.00 175.35 176.05 1dcp s GLN 37 N 1.68 3.71 -0.06 4.03 1.03 -1.26 -1.08 119.66 127.71 1dcp s GLN 37 Ca -0.10 -0.47 -0.03 0.00 0.04 0.00 0.00 55.36 54.81 1dcp s GLN 37 Cb -0.05 -3.17 -0.04 0.00 0.03 0.00 0.00 33.01 29.78 1dcp s GLN 37 CO -0.19 0.03 0.08 -0.06 -2.54 0.00 0.00 175.29 172.61 1dcp s PHE 38 N 0.99 3.36 -0.05 9.60 0.40 0.11 -4.99 117.98 127.40 1dcp s PHE 38 Ca 0.03 0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.70 1dcp s PHE 38 Cb -0.14 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.57 1dcp s PHE 38 CO 0.02 0.59 -0.14 -1.58 0.70 0.00 0.00 175.22 174.81 1dcp s HIS 39 N -1.06 1.55 0.34 0.36 5.65 -1.26 -0.96 115.29 119.91 1dcp s HIS 39 Ca 0.18 -0.51 0.04 0.00 0.25 0.00 0.00 55.06 55.02 1dcp s HIS 39 Cb -0.12 -1.09 -0.07 0.00 -1.18 0.00 0.00 32.58 30.13 1dcp s HIS 39 CO 0.08 -0.22 0.05 -0.06 -0.65 0.00 0.00 174.74 173.94 1dcp s PHE 40 N 0.35 2.06 0.33 3.88 0.40 0.07 -5.03 117.98 120.04 1dcp s PHE 40 Ca -0.09 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.34 1dcp s PHE 40 Cb -0.13 -1.36 0.57 0.00 0.51 0.00 0.00 43.02 42.61 1dcp s PHE 40 CO 0.03 0.09 1.99 -0.22 0.70 0.00 0.00 175.22 177.81 1dcp h LYS 41 N 2.07 0.91 0.00 0.44 1.63 -1.90 -3.45 116.57 116.27 1dcp h LYS 41 Ca -0.41 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.34 1dcp h LYS 41 Cb 1.24 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1dcp h LYS 41 CO 0.71 0.61 0.28 -0.40 -3.45 0.00 0.00 179.45 177.20 1dcp n ASP 42 N -4.42 -1.65 -0.05 4.20 5.68 -1.26 -4.93 116.55 114.12 1dcp n ASP 42 Ca 0.07 -2.08 -0.11 0.00 -0.50 0.00 0.00 54.79 52.17 1dcp n ASP 42 Cb 0.04 2.73 -0.06 0.00 -1.14 0.00 0.00 41.12 42.69 1dcp n ASP 42 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1dcp h PHE 43 N 1.76 0.28 -0.88 2.11 3.57 -1.91 -1.27 116.94 120.59 1dcp h PHE 43 Ca -0.24 -0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.41 1dcp h PHE 43 Cb 0.94 -0.08 -0.16 0.00 2.79 0.00 0.00 35.95 39.44 1dcp h PHE 43 CO 0.00 0.43 -0.11 -0.97 -2.23 0.00 0.00 178.31 175.43 1dcp h ASN 44 N 0.04 -0.63 0.02 0.41 -0.73 -1.97 0.81 115.58 113.54 1dcp h ASN 44 Ca 0.05 0.25 -0.00 0.00 1.87 0.00 0.00 56.30 58.47 1dcp h ASN 44 Cb 0.30 0.48 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1dcp h ASN 44 CO 0.00 -0.28 -0.01 0.03 -0.37 0.00 0.00 177.43 176.81 1dcp h ARG 45 N 0.03 -0.02 0.35 6.67 3.08 -1.94 0.83 114.38 123.37 1dcp h ARG 45 Ca 0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.50 1dcp h ARG 45 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1dcp h ARG 45 CO -0.85 0.32 -0.21 0.00 -1.07 0.00 0.00 179.97 178.15 1dcp h ALA 46 N 0.62 -0.52 -0.97 0.04 0.00 0.39 0.20 119.26 119.01 1dcp h ALA 46 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1dcp h ALA 46 Cb 0.35 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1dcp h ALA 46 CO 0.00 -0.80 0.62 0.35 0.00 0.00 0.00 179.25 179.42 1dcp h PHE 47 N -0.53 1.10 -0.18 0.00 3.57 0.48 0.12 116.94 121.51 1dcp h PHE 47 Ca -0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1dcp h PHE 47 Cb 0.44 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1dcp h PHE 47 CO -0.09 0.50 -0.06 0.78 -2.23 0.00 0.00 178.31 177.21 1dcp h GLY 48 N 1.01 0.10 1.03 2.40 0.00 -0.36 0.45 103.07 107.70 1dcp h GLY 48 Ca 0.45 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 1dcp h GLY 48 CO -0.21 -0.08 0.34 -2.75 0.00 0.00 0.00 176.54 173.84 1dcp h PHE 49 N -0.03 1.13 -0.49 5.60 3.04 0.23 -2.08 116.94 124.34 1dcp h PHE 49 Ca 0.09 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1dcp h PHE 49 Cb 0.16 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 1dcp h PHE 49 CO -0.22 0.84 0.26 0.52 -2.02 0.00 0.00 178.31 177.70 1dcp h MET 50 N 1.09 0.67 -0.23 1.11 2.86 -0.16 -1.90 114.93 118.37 1dcp h MET 50 Ca 0.26 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1dcp h MET 50 Cb 0.16 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1dcp h MET 50 CO -0.03 0.50 0.10 1.15 1.06 0.00 0.00 176.91 179.69 1dcp h THR 51 N 0.68 1.16 -0.47 2.22 2.02 -0.28 0.29 112.91 118.52 1dcp h THR 51 Ca 0.17 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1dcp h THR 51 Cb 0.03 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1dcp h THR 51 CO -0.03 0.16 0.11 0.03 0.37 0.00 0.00 175.52 176.16 1dcp h ARG 52 N 0.23 0.71 0.00 6.66 3.08 -0.91 -2.19 114.38 121.96 1dcp h ARG 52 Ca 0.08 -0.13 -0.21 0.00 0.07 0.00 0.00 59.98 59.79 1dcp h ARG 52 Cb 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1dcp h ARG 52 CO -0.01 0.65 -0.90 -0.39 -1.07 0.00 0.00 179.97 178.25 1dcp h VAL 53 N 0.69 1.47 -0.96 2.04 -1.51 -1.12 -2.47 116.25 114.38 1dcp h VAL 53 Ca 0.16 -2.57 0.10 0.00 -1.23 0.00 0.00 66.70 63.15 1dcp h VAL 53 Cb 0.26 2.45 -0.07 0.00 -2.13 0.00 0.00 31.29 31.80 1dcp h VAL 53 CO -0.00 0.75 0.62 0.00 -1.23 0.00 0.00 177.57 177.71 1dcp h ALA 54 N 0.90 1.53 -0.24 5.19 0.00 -0.05 1.81 119.26 128.40 1dcp h ALA 54 Ca -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1dcp h ALA 54 Cb 1.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1dcp h ALA 54 CO 0.14 0.28 0.04 -0.07 0.00 0.00 0.00 179.25 179.64 1dcp h LEU 55 N 1.01 0.38 -0.49 0.00 3.38 -1.29 -1.48 115.31 116.83 1dcp h LEU 55 Ca 0.45 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1dcp h LEU 55 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1dcp h LEU 55 CO -0.20 0.53 0.14 -0.61 0.09 0.00 0.00 178.44 178.39 1dcp h GLN 56 N 0.21 0.76 -0.80 1.13 5.75 -0.83 -0.02 115.11 121.31 1dcp h GLN 56 Ca 0.07 -0.17 0.13 0.00 -0.15 0.00 0.00 58.65 58.53 1dcp h GLN 56 Cb 0.31 -0.11 -0.09 0.00 1.07 0.00 0.00 27.48 28.67 1dcp h GLN 56 CO 0.00 0.73 0.40 0.00 -2.65 0.00 0.00 178.83 177.31 1dcp h ALA 57 N 1.00 1.17 -0.06 3.38 0.00 0.31 -2.08 119.26 122.98 1dcp h ALA 57 Ca 0.15 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 1dcp h ALA 57 Cb 0.29 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1dcp h ALA 57 CO -0.00 -0.10 -0.95 0.93 0.00 0.00 0.00 179.25 179.13 1dcp h GLU 58 N 0.59 0.74 -0.83 0.00 4.39 -0.96 -1.27 114.58 117.25 1dcp h GLU 58 Ca 0.43 -0.72 0.12 0.00 0.34 0.00 0.00 59.36 59.54 1dcp h GLU 58 Cb 0.58 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.33 1dcp h GLU 58 CO -0.35 1.30 0.44 -0.22 -1.16 0.00 0.00 179.01 179.02 1dcp h LYS 59 N 0.45 0.65 -0.31 2.33 3.64 -0.32 -2.91 116.57 120.10 1dcp h LYS 59 Ca -0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1dcp h LYS 59 Cb 1.59 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1dcp h LYS 59 CO 0.19 0.43 0.00 1.47 -2.27 0.00 0.00 179.45 179.27 1dcp n LEU 60 N -4.83 3.69 -4.00 5.20 -0.00 -0.99 -4.98 117.00 111.09 1dcp n LEU 60 Ca 0.15 -2.68 -0.32 0.00 -0.00 0.00 0.00 56.01 53.16 1dcp n LEU 60 Cb 0.37 -0.46 -0.02 0.00 -0.00 0.00 0.00 43.42 43.31 1dcp n LEU 60 CO 0.23 0.70 -0.25 -0.67 -0.00 0.00 0.00 177.39 177.40 1dcp n ASP 61 N -0.09 -1.67 -3.51 1.45 2.03 -0.55 -4.97 116.55 109.24 1dcp n ASP 61 Ca 0.19 -1.12 -0.19 0.00 0.52 0.00 0.00 54.79 54.19 1dcp n ASP 61 Cb 0.76 -2.54 -0.13 0.00 -0.72 0.00 0.00 41.12 38.49 1dcp n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dcp s HIS 62 N -3.88 -0.23 0.28 -0.67 2.46 -0.80 -5.05 115.29 107.39 1dcp s HIS 62 Ca 0.18 0.18 0.07 0.00 0.47 0.00 0.00 55.06 55.96 1dcp s HIS 62 Cb -0.08 -0.39 -0.03 0.00 -0.13 0.00 0.00 32.58 31.95 1dcp s HIS 62 CO 0.92 -0.59 0.28 -1.01 -2.47 0.00 0.00 174.74 171.88 1dcp s HIS 63 N 2.31 3.14 0.16 3.88 3.76 -1.26 -4.53 115.29 122.75 1dcp s HIS 63 Ca 0.06 -0.14 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 1dcp s HIS 63 Cb -0.16 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 1dcp s HIS 63 CO -0.12 0.37 0.08 -1.25 -0.85 0.00 0.00 174.74 172.97 1dcp s PRO 64 N -3.94 2.71 -0.36 8.40 0.04 -1.26 -4.87 135.00 135.72 1dcp s PRO 64 Ca 0.36 -0.94 -0.18 0.00 0.04 0.00 0.00 61.00 60.29 1dcp s PRO 64 Cb -0.08 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 1dcp s PRO 64 CO 0.27 0.48 0.50 -1.21 0.04 0.00 0.00 177.00 177.08 1dcp s GLU 65 N -2.95 3.57 0.08 4.56 2.02 -0.71 -4.96 118.70 120.32 1dcp s GLU 65 Ca 0.29 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.07 1dcp s GLU 65 Cb -0.10 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1dcp s GLU 65 CO 0.21 -0.66 -0.06 1.67 0.02 0.00 0.00 175.26 176.44 1dcp s TRP 66 N 2.37 0.79 -0.02 1.61 -2.14 -1.26 -0.69 118.94 119.60 1dcp s TRP 66 Ca 0.18 -0.85 0.02 0.00 2.66 0.00 0.00 56.10 58.12 1dcp s TRP 66 Cb -0.16 -0.47 0.00 0.00 -3.10 0.00 0.00 33.47 29.74 1dcp s TRP 66 CO 0.13 -0.17 -0.08 0.12 -2.66 0.00 0.00 176.95 174.30 1dcp s PHE 67 N -3.19 0.83 -0.00 1.66 5.36 -0.34 -4.98 117.98 117.32 1dcp s PHE 67 Ca 0.07 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1dcp s PHE 67 Cb 0.02 -0.59 0.00 0.00 -0.34 0.00 0.00 43.02 42.12 1dcp s PHE 67 CO -0.04 -0.07 -0.00 1.21 -1.46 0.00 0.00 175.22 174.85 1dcp s ASN 68 N 0.10 0.05 -0.07 6.13 3.84 -1.26 -0.90 114.94 122.83 1dcp s ASN 68 Ca -0.01 -0.01 -0.03 0.00 0.21 0.00 0.00 52.86 53.02 1dcp s ASN 68 Cb -0.07 -0.01 0.04 0.00 -0.55 0.00 0.00 41.25 40.67 1dcp s ASN 68 CO 0.00 0.00 0.13 -0.69 -2.79 0.00 0.00 177.10 173.75 1dcp s VAL 69 N 0.01 -0.21 0.00 -5.21 1.01 -1.09 -5.02 120.40 109.88 1dcp s VAL 69 Ca -0.00 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1dcp s VAL 69 Cb -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1dcp s VAL 69 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1dcp n TYR 70 N 5.27 0.00 -0.60 5.22 9.36 -1.26 0.09 117.16 135.24 1dcp n TYR 70 Ca -0.05 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.26 1dcp n TYR 70 Cb 0.50 0.00 0.35 0.00 -0.63 0.00 0.00 39.34 39.56 1dcp n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dcp n ASN 71 N 5.24 4.63 -4.49 2.98 6.94 -1.26 -4.16 115.26 125.14 1dcp n ASN 71 Ca 0.00 -2.40 -0.30 0.00 -0.02 0.00 0.00 54.58 51.85 1dcp n ASN 71 Cb 0.00 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 36.74 1dcp n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dcp s LYS 72 N -1.76 2.02 -0.04 -3.83 1.02 0.11 -0.75 119.74 116.52 1dcp s LYS 72 Ca 0.50 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1dcp s LYS 72 Cb 0.32 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 1dcp s LYS 72 CO 0.25 0.52 -0.02 0.08 -0.92 0.00 0.00 175.35 175.26 1dcp s VAL 73 N -1.02 0.37 -0.11 3.17 1.01 -0.13 -2.68 120.40 121.01 1dcp s VAL 73 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1dcp s VAL 73 Cb -0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1dcp s VAL 73 CO 0.08 0.20 -0.02 -1.00 0.00 0.00 0.00 175.10 174.36 1dcp s HIS 74 N 1.13 3.09 -0.06 5.22 3.76 -0.08 0.08 115.29 128.42 1dcp s HIS 74 Ca -0.08 0.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1dcp s HIS 74 Cb -0.14 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.73 1dcp s HIS 74 CO -0.01 0.29 -0.12 0.42 -0.85 0.00 0.00 174.74 174.47 1dcp s ILE 75 N -0.46 1.09 -0.07 0.60 1.01 -0.24 -1.20 121.20 121.93 1dcp s ILE 75 Ca 0.08 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1dcp s ILE 75 Cb -0.12 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 1dcp s ILE 75 CO 0.02 0.34 -0.18 -0.89 0.00 0.00 0.00 174.94 174.23 1dcp s THR 76 N 0.60 2.65 -0.03 2.92 2.01 0.13 -1.30 115.64 122.62 1dcp s THR 76 Ca -0.13 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1dcp s THR 76 Cb -0.15 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.33 1dcp s THR 76 CO 0.03 0.57 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.65 1dcp s LEU 77 N -0.25 1.87 -0.28 4.42 1.43 0.14 -1.73 118.68 124.28 1dcp s LEU 77 Ca 0.00 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 52.63 1dcp s LEU 77 Cb -0.13 -0.65 0.11 0.00 0.03 0.00 0.00 46.19 45.54 1dcp s LEU 77 CO 0.03 0.10 0.94 -0.55 0.23 0.00 0.00 176.35 177.10 1dcp s SER 78 N 0.04 -0.55 -0.51 2.29 0.15 -1.26 0.28 113.70 114.14 1dcp s SER 78 Ca -0.01 1.05 -0.22 0.00 0.70 0.00 0.00 55.95 57.46 1dcp s SER 78 Cb -0.08 1.07 0.04 0.00 -1.71 0.00 0.00 66.02 65.34 1dcp s SER 78 CO 0.01 -0.18 0.81 -0.89 1.20 0.00 0.00 173.24 174.19 1dcp s THR 79 N 0.31 4.59 0.10 6.45 2.01 0.07 -4.92 115.64 124.25 1dcp s THR 79 Ca 0.02 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.90 1dcp s THR 79 Cb -0.05 -4.42 -0.11 0.00 0.01 0.00 0.00 72.50 67.94 1dcp s THR 79 CO -0.04 -0.93 1.72 -0.74 -0.69 0.00 0.00 174.62 173.94 1dcp h HIS 80 N 9.14 -0.08 -0.62 4.92 2.76 -1.95 0.09 115.15 129.41 1dcp h HIS 80 Ca -0.26 0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.09 1dcp h HIS 80 Cb 1.08 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.06 1dcp h HIS 80 CO 0.84 -0.06 0.47 1.49 -1.30 0.00 0.00 177.93 179.37 1dcp h GLU 81 N -0.04 0.00 0.00 5.26 4.81 -1.92 0.33 114.58 123.02 1dcp h GLU 81 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1dcp h GLU 81 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1dcp h GLU 81 CO -0.07 0.00 -1.40 0.00 -0.73 0.00 0.00 179.01 176.81 1dcp n ALA 83 N -2.00 -0.37 0.00 0.00 0.00 0.12 -4.93 120.51 113.32 1dcp n ALA 83 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1dcp n ALA 83 Cb 0.49 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1dcp n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dcp n GLY 84 N -1.02 -1.09 3.75 0.00 0.00 -0.30 -4.76 105.19 101.76 1dcp n GLY 84 Ca -0.03 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1dcp n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dcp s LEU 85 N 0.00 4.38 0.00 0.99 1.02 -1.15 -0.75 118.68 123.17 1dcp s LEU 85 Ca 0.00 2.75 0.01 0.00 0.02 0.00 0.00 54.13 56.92 1dcp s LEU 85 Cb 0.00 -3.63 -0.01 0.00 0.02 0.00 0.00 46.19 42.57 1dcp s LEU 85 CO 0.00 -0.73 0.05 -1.54 0.02 0.00 0.00 176.35 174.15 1dcp n SER 86 N 1.92 1.79 0.04 2.29 3.41 -1.26 -1.12 113.62 120.69 1dcp n SER 86 Ca 0.05 -2.28 -0.09 0.00 -0.26 0.00 0.00 58.87 56.29 1dcp n SER 86 Cb 0.40 0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.85 1dcp n SER 86 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dcp h GLU 87 N 0.00 0.44 -0.76 4.33 5.08 -1.96 -3.18 114.58 118.52 1dcp h GLU 87 Ca -0.21 -0.32 0.13 0.00 -1.00 0.00 0.00 59.36 57.96 1dcp h GLU 87 Cb 0.72 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.89 1dcp h GLU 87 CO 0.34 0.94 -0.33 0.00 -1.00 0.00 0.00 179.01 178.96 1dcp h ARG 88 N 0.32 -0.08 -0.33 2.33 2.47 -1.96 0.53 114.38 117.66 1dcp h ARG 88 Ca -0.01 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.78 1dcp h ARG 88 Cb 1.20 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.46 1dcp h ARG 88 CO 0.11 -0.05 -0.16 -0.44 0.56 0.00 0.00 179.97 179.99 1dcp h ASP 89 N -0.08 -0.54 0.35 7.04 3.32 -1.92 0.25 116.42 124.84 1dcp h ASP 89 Ca 0.30 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 1dcp h ASP 89 Cb 0.58 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1dcp h ASP 89 CO -0.81 -0.19 -0.24 0.40 -1.72 0.00 0.00 179.24 176.67 1dcp h ILE 90 N -0.11 0.49 0.12 0.35 1.08 -0.75 0.71 117.51 119.41 1dcp h ILE 90 Ca 0.17 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.65 1dcp h ILE 90 Cb 0.36 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1dcp h ILE 90 CO -0.40 0.00 -0.21 0.78 -0.69 0.00 0.00 178.15 177.64 1dcp h ASN 91 N -0.58 -0.58 -0.44 1.72 -0.26 0.31 0.22 115.58 115.97 1dcp h ASN 91 Ca -0.03 0.07 0.09 0.00 -0.56 0.00 0.00 56.30 55.86 1dcp h ASN 91 Cb 0.49 0.22 -0.09 0.00 -1.06 0.00 0.00 38.32 37.88 1dcp h ASN 91 CO 0.02 -0.29 -0.14 0.25 -1.06 0.00 0.00 177.43 176.20 1dcp h LEU 92 N -0.40 -0.51 -0.98 1.61 5.85 -0.34 0.59 115.31 121.12 1dcp h LEU 92 Ca 0.02 0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1dcp h LEU 92 Cb 0.41 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 1dcp h LEU 92 CO -0.11 -0.18 0.62 0.00 -0.34 0.00 0.00 178.44 178.44 1dcp h ALA 93 N 1.35 1.43 -0.21 1.25 0.00 0.13 -0.46 119.26 122.75 1dcp h ALA 93 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1dcp h ALA 93 Cb 0.37 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1dcp h ALA 93 CO -0.48 0.30 -0.07 0.77 0.00 0.00 0.00 179.25 179.77 1dcp h SER 94 N 1.05 -0.26 -0.37 0.00 0.02 0.15 -1.58 113.55 112.57 1dcp h SER 94 Ca 0.46 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.51 1dcp h SER 94 Cb 0.34 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1dcp h SER 94 CO -0.23 -0.10 0.19 0.15 -1.14 0.00 0.00 176.83 175.70 1dcp h PHE 95 N -0.03 0.34 -0.41 3.45 3.04 -0.05 -1.81 116.94 121.48 1dcp h PHE 95 Ca 0.11 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.16 1dcp h PHE 95 Cb 0.19 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1dcp h PHE 95 CO -0.24 0.19 0.28 0.82 -2.02 0.00 0.00 178.31 177.33 1dcp h ILE 96 N 0.38 0.89 -0.34 1.41 2.04 -0.59 -1.06 117.51 120.25 1dcp h ILE 96 Ca 0.15 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 1dcp h ILE 96 Cb 0.06 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1dcp h ILE 96 CO -0.10 0.04 -0.15 -0.33 0.00 0.00 0.00 178.15 177.61 1dcp h GLU 97 N 0.19 0.70 0.27 2.37 4.39 -0.43 -0.82 114.58 121.25 1dcp h GLU 97 Ca 0.19 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1dcp h GLU 97 Cb 0.49 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1dcp h GLU 97 CO -0.03 0.89 -0.20 1.96 -1.16 0.00 0.00 179.01 180.47 1dcp h GLN 98 N 0.47 -0.43 -0.88 2.33 7.50 -0.95 -1.82 115.11 121.33 1dcp h GLN 98 Ca 0.08 0.03 0.23 0.00 0.50 0.00 0.00 58.65 59.49 1dcp h GLN 98 Cb 0.68 0.10 -0.15 0.00 0.05 0.00 0.00 27.48 28.15 1dcp h GLN 98 CO 0.05 -0.29 0.12 0.28 -1.50 0.00 0.00 178.83 177.49 1dcp h VAL 99 N -0.45 0.23 -0.25 -0.54 2.07 -1.30 -0.85 116.25 115.17 1dcp h VAL 99 Ca -0.03 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1dcp h VAL 99 Cb 0.37 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1dcp h VAL 99 CO 0.01 0.02 0.06 0.00 0.02 0.00 0.00 177.57 177.68 1dcp h ALA 100 N 1.83 1.65 -0.07 1.67 0.00 -0.74 -3.07 119.26 120.51 1dcp h ALA 100 Ca 0.54 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 1dcp h ALA 100 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1dcp h ALA 100 CO -0.74 0.27 -0.54 0.28 0.00 0.00 0.00 179.25 178.52 1dcp h VAL 101 N 0.35 1.37 -0.28 0.00 2.07 -0.30 -3.18 116.25 116.28 1dcp h VAL 101 Ca 0.09 -1.85 -0.08 0.00 0.82 0.00 0.00 66.70 65.68 1dcp h VAL 101 Cb 0.14 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1dcp h VAL 101 CO -0.00 0.54 -0.18 0.77 0.02 0.00 0.00 177.57 178.72 1dcp h SER 102 N 0.16 0.49 -0.25 0.57 4.64 -1.56 -2.74 113.55 114.87 1dcp h SER 102 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1dcp h SER 102 Cb 1.01 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1dcp h SER 102 CO 0.08 0.69 0.00 0.23 -0.87 0.00 0.00 176.83 176.96 1dcp n MET 103 N -4.17 1.80 0.00 4.77 2.81 -1.20 -5.18 117.12 115.95 1dcp n MET 103 Ca 0.00 -1.00 0.00 0.00 -1.81 0.00 0.00 57.70 54.90 1dcp n MET 103 Cb 0.36 -1.34 0.02 0.00 -0.71 0.00 0.00 33.22 31.54 1dcp n MET 103 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73