#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcp n ARG 7 N 0.00 -0.49 -1.57 -1.40 0.63 -1.23 -4.99 116.66 107.61 1dcp n ARG 7 Ca 0.00 0.82 -0.52 0.00 -0.92 0.00 0.00 57.85 57.23 1dcp n ARG 7 Cb 0.00 -1.83 -0.06 0.00 0.45 0.00 0.00 32.46 31.02 1dcp n ARG 7 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1dcp n LEU 8 N -0.08 1.37 -4.82 6.15 4.77 0.22 -4.95 117.00 119.67 1dcp n LEU 8 Ca 0.01 1.13 -0.37 0.00 -0.03 0.00 0.00 56.01 56.74 1dcp n LEU 8 Cb 0.02 -1.16 -0.06 0.00 -2.33 0.00 0.00 43.42 39.90 1dcp n LEU 8 CO 0.07 -1.22 0.31 -0.94 -1.33 0.00 0.00 177.39 174.28 1dcp s SER 9 N 0.32 7.03 0.46 -1.43 1.04 -1.26 -4.85 113.70 115.01 1dcp s SER 9 Ca 0.83 1.28 0.35 0.00 0.48 0.00 0.00 55.95 58.89 1dcp s SER 9 Cb -0.98 -2.36 1.52 0.00 0.10 0.00 0.00 66.02 64.29 1dcp s SER 9 CO 0.49 0.17 1.59 0.00 0.98 0.00 0.00 173.24 176.48 1dcp h ALA 10 N 4.02 2.98 0.00 5.32 0.00 -2.00 2.90 119.26 132.49 1dcp h ALA 10 Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1dcp h ALA 10 Cb 1.20 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1dcp h ALA 10 CO 0.65 -1.63 0.00 0.39 0.00 0.00 0.00 179.25 178.66 1dcp n GLU 11 N -4.59 0.11 -0.07 0.00 4.71 -1.26 -2.02 120.64 117.53 1dcp n GLU 11 Ca 0.40 0.16 -0.20 0.00 -0.01 0.00 0.00 57.16 57.51 1dcp n GLU 11 Cb 1.60 -1.65 -0.13 0.00 -1.01 0.00 0.00 31.44 30.25 1dcp n GLU 11 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1dcp n GLU 12 N -1.84 0.69 0.00 3.49 1.02 0.96 -4.09 120.64 120.87 1dcp n GLU 12 Ca 0.05 0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1dcp n GLU 12 Cb 0.33 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1dcp n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dcp h ARG 13 N -0.06 -0.36 -0.86 3.49 3.08 -1.08 -0.94 114.38 117.66 1dcp h ARG 13 Ca -0.51 0.02 0.25 0.00 0.07 0.00 0.00 59.98 59.82 1dcp h ARG 13 Cb 1.92 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 32.02 1dcp h ARG 13 CO -0.03 -0.24 0.88 -0.44 -1.07 0.00 0.00 179.97 179.07 1dcp h ASP 14 N -0.38 0.00 0.00 7.04 3.45 -1.58 0.33 116.42 125.28 1dcp h ASP 14 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1dcp h ASP 14 Cb 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1dcp h ASP 14 CO -0.34 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.33 1dcp n GLN 15 N -3.58 -0.01 -0.08 3.56 10.64 -0.86 -4.55 117.38 122.50 1dcp n GLN 15 Ca 0.18 -0.68 -0.12 0.00 -1.83 0.00 0.00 57.00 54.55 1dcp n GLN 15 Cb 1.16 -0.95 -0.07 0.00 -0.86 0.00 0.00 30.24 29.52 1dcp n GLN 15 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1dcp n LEU 16 N -0.11 2.74 0.08 2.61 4.77 -0.21 -4.71 117.00 122.16 1dcp n LEU 16 Ca 0.00 -0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 1dcp n LEU 16 Cb 0.09 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 1dcp n LEU 16 CO 0.00 0.72 0.19 -0.07 -1.33 0.00 0.00 177.39 176.90 1dcp h LEU 17 N -0.09 0.09 -1.39 2.23 3.38 -0.62 -3.36 115.31 115.55 1dcp h LEU 17 Ca -0.38 -0.09 0.25 0.00 0.09 0.00 0.00 57.88 57.75 1dcp h LEU 17 Cb 1.54 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.18 1dcp h LEU 17 CO -0.09 0.99 0.65 -0.65 0.09 0.00 0.00 178.44 179.43 1dcp h PRO 18 N 0.03 0.41 0.21 1.13 0.11 -1.80 0.19 132.00 132.27 1dcp h PRO 18 Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1dcp h PRO 18 Cb 1.65 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.67 1dcp h PRO 18 CO 0.13 0.27 -0.10 -0.91 -0.21 0.00 0.00 178.00 177.18 1dcp h ASN 19 N 0.42 -0.23 -0.64 -2.05 2.35 -1.89 -2.92 115.58 110.61 1dcp h ASN 19 Ca 0.56 -0.30 0.11 0.00 -0.55 0.00 0.00 56.30 56.12 1dcp h ASN 19 Cb 1.39 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.74 1dcp h ASN 19 CO -0.26 0.27 0.24 -0.07 -1.65 0.00 0.00 177.43 175.95 1dcp h LEU 20 N -0.84 0.22 -0.93 1.61 3.38 -1.61 -1.77 115.31 115.38 1dcp h LEU 20 Ca -0.03 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1dcp h LEU 20 Cb 0.51 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1dcp h LEU 20 CO 0.05 0.12 0.54 0.03 0.09 0.00 0.00 178.44 179.27 1dcp h ARG 21 N 0.41 0.77 0.00 1.13 3.08 -0.69 -2.15 114.38 116.93 1dcp h ARG 21 Ca 0.33 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1dcp h ARG 21 Cb 0.44 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1dcp h ARG 21 CO -0.34 0.51 -0.15 0.00 -1.07 0.00 0.00 179.97 178.92 1dcp h ALA 22 N 1.56 1.66 -0.39 0.04 0.00 -1.11 -2.69 119.26 118.33 1dcp h ALA 22 Ca 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1dcp h ALA 22 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1dcp h ALA 22 CO -0.32 0.19 0.00 1.55 0.00 0.00 0.00 179.25 180.67 1dcp n VAL 23 N -4.22 0.50 0.00 0.00 3.14 -0.95 -4.97 118.33 111.83 1dcp n VAL 23 Ca -0.02 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.61 1dcp n VAL 23 Cb 0.23 0.97 0.00 0.00 -1.06 0.00 0.00 33.84 33.98 1dcp n VAL 23 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dcp n GLY 24 N 1.51 1.60 3.72 7.55 0.00 -1.01 -5.10 105.19 113.46 1dcp n GLY 24 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.39 0.17 1.61 0.52 -0.85 -4.69 118.94 117.09 1dcp s TRP 25 Ca 0.00 1.22 0.09 0.00 0.02 0.00 0.00 56.10 57.43 1dcp s TRP 25 Cb 0.00 -3.49 -0.04 0.00 -1.15 0.00 0.00 33.47 28.79 1dcp s TRP 25 CO 0.00 -1.55 -0.13 -0.80 0.02 0.00 0.00 176.95 174.49 1dcp s ASN 26 N 0.99 4.11 -0.20 2.95 0.01 0.25 -4.04 114.94 119.01 1dcp s ASN 26 Ca 0.60 -0.59 -0.16 0.00 -0.71 0.00 0.00 52.86 52.00 1dcp s ASN 26 Cb -0.32 -0.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.66 1dcp s ASN 26 CO 0.30 0.12 0.39 -1.61 -1.51 0.00 0.00 177.10 174.80 1dcp s GLU 27 N -2.65 4.17 0.31 -0.60 2.02 -1.26 0.15 118.70 120.84 1dcp s GLU 27 Ca 0.23 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.12 1dcp s GLU 27 Cb -0.09 -3.54 -0.10 0.00 0.10 0.00 0.00 34.13 30.50 1dcp s GLU 27 CO 0.14 -0.03 1.38 -0.51 0.02 0.00 0.00 175.26 176.26 1dcp s LEU 28 N 1.29 4.39 -0.61 1.80 1.43 0.84 -4.94 118.68 122.88 1dcp s LEU 28 Ca 0.19 2.75 -0.14 0.00 -1.03 0.00 0.00 54.13 55.90 1dcp s LEU 28 Cb -0.15 -3.64 0.15 0.00 0.03 0.00 0.00 46.19 42.58 1dcp s LEU 28 CO 0.08 -0.65 0.54 -0.70 0.23 0.00 0.00 176.35 175.85 1dcp s GLU 29 N -1.37 3.05 0.00 1.70 -6.30 -1.26 -4.01 118.70 110.50 1dcp s GLU 29 Ca 0.53 -1.97 0.00 0.00 -2.50 0.00 0.00 54.97 51.03 1dcp s GLU 29 Cb -0.42 -4.24 0.00 0.00 0.00 0.00 0.00 34.13 29.47 1dcp s GLU 29 CO 0.52 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.92 1dcp n GLY 30 N 4.75 0.51 3.32 -1.50 0.00 -1.26 -5.08 105.19 105.93 1dcp n GLY 30 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1dcp n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dcp s ARG 31 N 0.00 0.48 -1.18 1.61 3.52 -1.26 -5.09 118.95 117.04 1dcp s ARG 31 Ca 0.00 0.65 -0.19 0.00 -0.13 0.00 0.00 55.73 56.06 1dcp s ARG 31 Cb 0.00 0.19 0.09 0.00 -1.56 0.00 0.00 34.95 33.66 1dcp s ARG 31 CO 0.00 -0.08 1.56 0.34 -0.81 0.00 0.00 175.30 176.31 1dcp s ASP 32 N 0.50 6.77 0.06 -2.12 2.15 -1.26 -4.11 116.67 118.66 1dcp s ASP 32 Ca -0.02 -2.23 -0.27 0.00 0.43 0.00 0.00 52.55 50.46 1dcp s ASP 32 Cb -0.04 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.13 1dcp s ASP 32 CO -0.03 -1.19 0.82 0.00 -0.17 0.00 0.00 175.17 174.61 1dcp s ALA 33 N 3.89 -1.74 0.14 3.66 0.00 -1.26 -3.40 121.76 123.04 1dcp s ALA 33 Ca 0.48 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.31 1dcp s ALA 33 Cb 0.01 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1dcp s ALA 33 CO 0.00 -0.75 -0.18 0.96 0.00 0.00 0.00 175.76 175.79 1dcp s ILE 34 N -3.31 2.80 0.03 0.00 -4.36 -1.03 -0.12 121.20 115.21 1dcp s ILE 34 Ca 0.05 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 1dcp s ILE 34 Cb -0.01 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 1dcp s ILE 34 CO -0.08 0.03 -0.07 0.12 0.24 0.00 0.00 174.94 175.18 1dcp s PHE 35 N -1.31 0.57 -0.22 1.37 5.36 0.39 -1.04 117.98 123.11 1dcp s PHE 35 Ca 0.19 -0.39 -0.19 0.00 -0.96 0.00 0.00 56.93 55.58 1dcp s PHE 35 Cb -0.10 -0.35 0.06 0.00 -0.34 0.00 0.00 43.02 42.29 1dcp s PHE 35 CO 0.11 -0.07 0.58 0.21 -1.46 0.00 0.00 175.22 174.58 1dcp s LYS 36 N -1.16 0.66 -0.13 10.12 2.20 -0.95 0.85 119.74 131.32 1dcp s LYS 36 Ca -0.07 0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 56.34 1dcp s LYS 36 Cb -0.08 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 1dcp s LYS 36 CO 0.00 -0.09 -0.02 -1.14 -0.36 0.00 0.00 175.35 173.74 1dcp s GLN 37 N 0.45 3.43 0.14 4.03 0.74 -1.26 -0.71 119.66 126.48 1dcp s GLN 37 Ca -0.01 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 55.00 1dcp s GLN 37 Cb -0.04 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 1dcp s GLN 37 CO -0.01 0.41 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.98 1dcp s PHE 38 N -0.09 2.68 -0.02 1.67 0.40 0.24 -4.98 117.98 117.89 1dcp s PHE 38 Ca 0.03 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1dcp s PHE 38 Cb -0.13 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 42.06 1dcp s PHE 38 CO 0.02 0.47 -0.04 -1.58 0.70 0.00 0.00 175.22 174.79 1dcp s HIS 39 N -1.46 0.52 0.26 0.36 2.46 -1.26 -1.15 115.29 115.01 1dcp s HIS 39 Ca 0.23 -0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.68 1dcp s HIS 39 Cb -0.10 -0.43 -0.05 0.00 -0.13 0.00 0.00 32.58 31.87 1dcp s HIS 39 CO 0.14 -0.08 0.07 -0.06 -2.47 0.00 0.00 174.74 172.34 1dcp s PHE 40 N 0.40 1.57 0.24 3.88 0.40 0.48 -5.01 117.98 119.95 1dcp s PHE 40 Ca -0.05 -1.11 -0.01 0.00 -0.60 0.00 0.00 56.93 55.17 1dcp s PHE 40 Cb -0.08 -0.94 0.28 0.00 0.51 0.00 0.00 43.02 42.79 1dcp s PHE 40 CO -0.00 -0.25 1.65 -0.22 0.70 0.00 0.00 175.22 177.10 1dcp h LYS 41 N 2.38 0.59 0.00 0.44 3.64 -1.83 -3.45 116.57 118.34 1dcp h LYS 41 Ca -0.38 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 58.61 1dcp h LYS 41 Cb 1.24 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1dcp h LYS 41 CO 0.63 0.82 -0.03 -0.40 -2.27 0.00 0.00 179.45 178.19 1dcp n ASP 42 N -4.09 -0.90 0.05 4.20 5.68 -1.26 -4.91 116.55 115.33 1dcp n ASP 42 Ca -0.01 -2.05 -0.13 0.00 -0.50 0.00 0.00 54.79 52.10 1dcp n ASP 42 Cb 0.45 1.62 -0.03 0.00 -1.14 0.00 0.00 41.12 42.01 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 1.58 0.68 -0.67 2.11 3.57 -1.91 -0.71 116.94 121.60 1dcp h PHE 43 Ca -0.16 -0.35 0.07 0.00 3.53 0.00 0.00 57.97 61.06 1dcp h PHE 43 Cb 0.69 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1dcp h PHE 43 CO 0.00 1.15 0.36 -0.97 -2.23 0.00 0.00 178.31 176.62 1dcp h ASN 44 N 0.29 0.51 -0.27 0.41 -0.73 -1.96 0.31 115.58 114.15 1dcp h ASN 44 Ca -0.07 0.04 -0.09 0.00 1.87 0.00 0.00 56.30 58.05 1dcp h ASN 44 Cb 1.50 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 40.02 1dcp h ASN 44 CO 0.16 0.33 -0.19 0.03 -0.37 0.00 0.00 177.43 177.38 1dcp h ARG 45 N 0.65 0.60 0.25 6.67 3.08 -1.94 -1.93 114.38 121.77 1dcp h ARG 45 Ca 0.30 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1dcp h ARG 45 Cb 0.22 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1dcp h ARG 45 CO -0.20 0.87 -0.18 0.00 -1.07 0.00 0.00 179.97 179.39 1dcp h ALA 46 N 0.71 -0.42 -0.44 0.04 0.00 -0.48 -1.74 119.26 116.94 1dcp h ALA 46 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dcp h ALA 46 Cb 0.73 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1dcp h ALA 46 CO 0.05 -0.75 0.23 0.35 0.00 0.00 0.00 179.25 179.13 1dcp h PHE 47 N -0.44 0.61 -0.90 0.00 3.57 -0.45 -0.40 116.94 118.92 1dcp h PHE 47 Ca -0.02 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.57 1dcp h PHE 47 Cb 0.38 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.85 1dcp h PHE 47 CO -0.11 0.47 0.54 0.78 -2.23 0.00 0.00 178.31 177.76 1dcp h GLY 48 N 0.57 1.43 0.76 2.40 0.00 -1.20 0.38 103.07 107.41 1dcp h GLY 48 Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1dcp h GLY 48 CO -0.02 0.14 -0.08 -2.75 0.00 0.00 0.00 176.54 173.83 1dcp h PHE 49 N 0.88 -0.22 -0.62 5.60 3.57 -0.82 -1.14 116.94 124.19 1dcp h PHE 49 Ca 0.44 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.06 1dcp h PHE 49 Cb 0.42 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 39.11 1dcp h PHE 49 CO -0.04 0.06 -0.09 0.52 -2.23 0.00 0.00 178.31 176.52 1dcp h MET 50 N -0.48 0.04 0.50 1.11 2.86 -0.28 0.50 114.93 119.18 1dcp h MET 50 Ca -0.02 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1dcp h MET 50 Cb 0.37 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1dcp h MET 50 CO 0.04 0.03 -0.28 1.15 1.06 0.00 0.00 176.91 178.91 1dcp h THR 51 N 0.04 0.43 -0.78 2.22 2.02 -0.75 0.63 112.91 116.72 1dcp h THR 51 Ca 0.31 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.68 1dcp h THR 51 Cb 0.49 0.43 -0.13 0.00 -1.74 0.00 0.00 68.15 67.20 1dcp h THR 51 CO -0.60 0.00 0.09 0.03 0.37 0.00 0.00 175.52 175.41 1dcp h ARG 52 N -0.73 0.15 -0.75 6.66 2.47 -0.44 0.46 114.38 122.20 1dcp h ARG 52 Ca -0.06 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 1dcp h ARG 52 Cb 0.58 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1dcp h ARG 52 CO 0.08 0.10 0.34 0.28 0.56 0.00 0.00 179.97 181.33 1dcp h VAL 53 N 0.16 1.25 -0.54 2.04 2.07 -0.25 -2.98 116.25 118.00 1dcp h VAL 53 Ca 0.45 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1dcp h VAL 53 Cb 0.82 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1dcp h VAL 53 CO -0.64 0.30 0.26 0.00 0.02 0.00 0.00 177.57 177.52 1dcp h ALA 54 N 1.17 0.69 -0.66 1.67 0.00 0.48 0.68 119.26 123.29 1dcp h ALA 54 Ca 0.26 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1dcp h ALA 54 Cb 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1dcp h ALA 54 CO -0.03 -0.09 0.21 -0.07 0.00 0.00 0.00 179.25 179.27 1dcp h LEU 55 N 0.50 0.15 -0.34 0.00 3.38 -0.90 -1.61 115.31 116.49 1dcp h LEU 55 Ca 0.24 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 1dcp h LEU 55 Cb 0.18 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1dcp h LEU 55 CO -0.18 0.07 -0.05 -0.61 0.09 0.00 0.00 178.44 177.76 1dcp h GLN 56 N 0.36 0.63 -0.78 1.13 5.75 -1.14 -2.34 115.11 118.71 1dcp h GLN 56 Ca 0.35 -0.22 0.09 0.00 -0.15 0.00 0.00 58.65 58.72 1dcp h GLN 56 Cb 0.52 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.95 1dcp h GLN 56 CO -0.39 0.78 0.43 0.00 -2.65 0.00 0.00 178.83 177.00 1dcp h ALA 57 N 0.83 1.10 -0.41 3.38 0.00 0.02 -0.39 119.26 123.78 1dcp h ALA 57 Ca 0.09 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1dcp h ALA 57 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1dcp h ALA 57 CO 0.03 0.04 -0.17 0.93 0.00 0.00 0.00 179.25 180.08 1dcp h GLU 58 N 0.72 0.85 -0.81 0.00 4.39 -1.37 1.94 114.58 120.30 1dcp h GLU 58 Ca 0.38 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1dcp h GLU 58 Cb 0.36 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1dcp h GLU 58 CO -0.25 0.99 0.53 -0.22 -1.16 0.00 0.00 179.01 178.90 1dcp h LYS 59 N 0.66 1.04 0.00 2.33 1.63 -0.78 -2.72 116.57 118.73 1dcp h LYS 59 Ca 0.10 -0.06 -0.18 0.00 -0.85 0.00 0.00 60.65 59.66 1dcp h LYS 59 Cb 0.72 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1dcp h LYS 59 CO 0.05 0.69 -1.06 -0.07 -3.45 0.00 0.00 179.45 175.61 1dcp h LEU 60 N 1.07 0.00 -1.87 5.20 3.38 -1.02 -3.49 115.31 118.59 1dcp h LEU 60 Ca 0.30 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.02 1dcp h LEU 60 Cb -0.10 0.00 0.14 0.00 0.09 0.00 0.00 40.66 40.79 1dcp h LEU 60 CO -0.08 0.72 -0.63 -0.67 0.09 0.00 0.00 178.44 177.87 1dcp n ASP 61 N -3.13 -2.70 -3.45 -0.43 2.03 0.64 -4.99 116.55 104.52 1dcp n ASP 61 Ca -0.05 -0.51 -0.04 0.00 0.52 0.00 0.00 54.79 54.72 1dcp n ASP 61 Cb 0.86 -4.21 -0.06 0.00 -0.72 0.00 0.00 41.12 37.00 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 -3.29 -1.15 0.16 -0.67 2.46 -0.01 -5.02 115.29 107.76 1dcp s HIS 62 Ca 0.07 1.60 0.07 0.00 0.47 0.00 0.00 55.06 57.26 1dcp s HIS 62 Cb -0.01 0.43 -0.04 0.00 -0.13 0.00 0.00 32.58 32.83 1dcp s HIS 62 CO 0.58 -0.69 0.01 -1.01 -2.47 0.00 0.00 174.74 171.17 1dcp s HIS 63 N 2.73 2.89 0.41 3.88 3.76 -1.26 -4.25 115.29 123.45 1dcp s HIS 63 Ca 0.07 -0.11 0.07 0.00 -0.15 0.00 0.00 55.06 54.94 1dcp s HIS 63 Cb -0.14 -1.42 0.01 0.00 1.11 0.00 0.00 32.58 32.14 1dcp s HIS 63 CO -0.17 0.51 0.56 -1.25 -0.85 0.00 0.00 174.74 173.54 1dcp s PRO 64 N -2.86 2.90 -0.39 8.40 0.04 -1.26 -4.76 135.00 137.08 1dcp s PRO 64 Ca 0.27 -1.09 -0.09 0.00 0.04 0.00 0.00 61.00 60.13 1dcp s PRO 64 Cb -0.10 -2.75 0.06 0.00 0.04 0.00 0.00 34.50 31.75 1dcp s PRO 64 CO 0.19 -0.21 0.21 -1.21 0.04 0.00 0.00 177.00 176.02 1dcp s GLU 65 N -4.34 2.67 0.09 4.56 2.02 0.04 -4.97 118.70 118.77 1dcp s GLU 65 Ca 0.52 -1.29 0.04 0.00 0.02 0.00 0.00 54.97 54.25 1dcp s GLU 65 Cb -0.10 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 1dcp s GLU 65 CO 0.33 -0.82 -0.10 1.67 0.02 0.00 0.00 175.26 176.36 1dcp s TRP 66 N 1.46 1.04 0.00 1.61 -2.14 -1.26 0.10 118.94 119.75 1dcp s TRP 66 Ca 0.02 -0.65 0.04 0.00 2.66 0.00 0.00 56.10 58.17 1dcp s TRP 66 Cb -0.21 -0.57 -0.01 0.00 -3.10 0.00 0.00 33.47 29.57 1dcp s TRP 66 CO 0.04 -0.01 -0.13 0.12 -2.66 0.00 0.00 176.95 174.31 1dcp s PHE 67 N -2.36 1.16 -0.02 1.66 5.36 -0.54 -4.95 117.98 118.29 1dcp s PHE 67 Ca 0.04 -0.25 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 1dcp s PHE 67 Cb -0.03 -0.73 0.02 0.00 -0.34 0.00 0.00 43.02 41.93 1dcp s PHE 67 CO -0.00 -0.01 -0.01 1.21 -1.46 0.00 0.00 175.22 174.95 1dcp s ASN 68 N -0.48 0.35 -0.13 6.13 3.84 -1.26 -1.15 114.94 122.23 1dcp s ASN 68 Ca 0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 52.86 53.07 1dcp s ASN 68 Cb -0.06 -0.14 0.04 0.00 -0.55 0.00 0.00 41.25 40.55 1dcp s ASN 68 CO -0.00 -0.05 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.55 1dcp s VAL 69 N 0.59 0.77 0.00 -5.21 1.01 -1.05 -5.01 120.40 111.49 1dcp s VAL 69 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1dcp s VAL 69 Cb -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1dcp s VAL 69 CO -0.01 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.23 1dcp n TYR 70 N 5.00 0.00 -0.79 5.22 9.36 -1.26 -1.41 117.16 133.28 1dcp n TYR 70 Ca -0.10 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.14 1dcp n TYR 70 Cb 0.49 0.00 0.35 0.00 -0.63 0.00 0.00 39.34 39.54 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 6.57 5.15 -4.37 2.98 6.94 -1.26 -4.25 115.26 127.01 1dcp n ASN 71 Ca 0.00 -2.95 -0.28 0.00 -0.02 0.00 0.00 54.58 51.34 1dcp n ASN 71 Cb 0.00 -0.69 -0.13 0.00 -2.36 0.00 0.00 39.78 36.60 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 -2.69 1.35 -0.10 -3.83 1.02 -0.50 -0.39 119.74 114.61 1dcp s LYS 72 Ca 0.51 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.13 1dcp s LYS 72 Cb 0.39 -1.78 0.05 0.00 -0.52 0.00 0.00 37.83 35.98 1dcp s LYS 72 CO 0.14 0.41 0.21 0.08 -0.92 0.00 0.00 175.35 175.27 1dcp s VAL 73 N -1.17 -0.21 -0.17 3.17 1.01 -0.30 -2.54 120.40 120.19 1dcp s VAL 73 Ca 0.13 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1dcp s VAL 73 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1dcp s VAL 73 CO 0.06 0.11 -0.06 -1.00 0.00 0.00 0.00 175.10 174.21 1dcp s HIS 74 N 1.88 2.95 -0.08 5.22 3.76 -0.30 0.82 115.29 129.54 1dcp s HIS 74 Ca -0.03 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.36 1dcp s HIS 74 Cb -0.12 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1dcp s HIS 74 CO -0.07 -0.23 -0.22 0.42 -0.85 0.00 0.00 174.74 173.78 1dcp s ILE 75 N 0.71 2.29 -0.06 0.60 1.01 0.11 -1.47 121.20 124.39 1dcp s ILE 75 Ca -0.03 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1dcp s ILE 75 Cb -0.15 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1dcp s ILE 75 CO 0.02 0.56 -0.25 -0.89 0.00 0.00 0.00 174.94 174.38 1dcp s THR 76 N -0.00 2.04 -0.04 2.92 2.01 0.29 -2.25 115.64 120.62 1dcp s THR 76 Ca -0.08 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 60.91 1dcp s THR 76 Cb -0.15 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1dcp s THR 76 CO 0.05 0.57 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.60 1dcp s LEU 77 N -0.16 1.98 -0.15 4.42 1.43 -0.20 -0.78 118.68 125.23 1dcp s LEU 77 Ca -0.04 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1dcp s LEU 77 Cb -0.14 -1.05 0.12 0.00 0.03 0.00 0.00 46.19 45.16 1dcp s LEU 77 CO 0.04 0.20 0.99 -0.55 0.23 0.00 0.00 176.35 177.25 1dcp s SER 78 N -0.16 -0.37 -0.37 2.29 0.15 -1.26 -2.48 113.70 111.51 1dcp s SER 78 Ca -0.00 0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.88 1dcp s SER 78 Cb -0.11 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1dcp s SER 78 CO 0.01 -0.37 0.27 -0.89 1.20 0.00 0.00 173.24 173.47 1dcp s THR 79 N -1.29 5.27 0.10 6.45 2.01 -0.62 -4.92 115.64 122.63 1dcp s THR 79 Ca -0.01 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 1dcp s THR 79 Cb -0.00 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 1dcp s THR 79 CO 0.01 -0.14 1.63 -0.74 -0.69 0.00 0.00 174.62 174.69 1dcp h HIS 80 N 8.55 -0.80 -0.08 4.92 2.76 -1.95 0.16 115.15 128.72 1dcp h HIS 80 Ca -0.29 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 57.89 1dcp h HIS 80 Cb 1.14 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 1dcp h HIS 80 CO 0.62 -0.42 -0.04 -1.91 -1.30 0.00 0.00 177.93 174.87 1dcp n GLU 81 N -5.41 -0.03 -0.16 5.26 2.13 -1.26 0.69 120.64 121.86 1dcp n GLU 81 Ca -0.08 0.42 0.11 0.00 0.66 0.00 0.00 57.16 58.26 1dcp n GLU 81 Cb 0.32 -0.62 0.27 0.00 0.27 0.00 0.00 31.44 31.68 1dcp n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dcp n ALA 83 N 1.06 -2.49 0.00 0.00 0.00 0.22 -4.92 120.51 114.38 1dcp n ALA 83 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1dcp n ALA 83 Cb 0.50 -4.87 0.00 0.00 0.00 0.00 0.00 19.45 15.08 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 -1.44 -0.82 3.77 0.00 0.00 -0.74 -4.85 105.19 101.11 1dcp n GLY 84 Ca -0.09 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 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 4.15 0.18 0.99 1.43 -1.22 -1.59 118.68 122.62 1dcp s LEU 85 Ca 0.00 2.24 -0.05 0.00 -1.03 0.00 0.00 54.13 55.29 1dcp s LEU 85 Cb 0.00 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1dcp s LEU 85 CO 0.00 -0.65 0.20 -0.94 0.23 0.00 0.00 176.35 175.20 1dcp s SER 86 N -1.30 0.13 0.30 2.29 1.04 -1.26 -0.61 113.70 114.29 1dcp s SER 86 Ca 0.58 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1dcp s SER 86 Cb -0.28 0.40 0.73 0.00 0.10 0.00 0.00 66.02 66.98 1dcp s SER 86 CO 0.34 -0.87 1.60 -0.33 0.98 0.00 0.00 173.24 174.97 1dcp h GLU 87 N 2.61 0.08 -0.85 4.02 5.08 -1.96 0.11 114.58 123.66 1dcp h GLU 87 Ca -0.33 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1dcp h GLU 87 Cb 1.23 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 1dcp h GLU 87 CO 0.51 0.05 0.47 0.00 -1.00 0.00 0.00 179.01 179.04 1dcp h ARG 88 N 0.08 0.69 -0.37 2.33 3.08 -1.98 -0.94 114.38 117.28 1dcp h ARG 88 Ca 0.57 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.57 1dcp h ARG 88 Cb 1.19 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1dcp h ARG 88 CO -0.80 0.46 0.20 -0.44 -1.07 0.00 0.00 179.97 178.32 1dcp h ASP 89 N 0.71 0.46 -0.36 7.04 3.32 -1.37 0.16 116.42 126.39 1dcp h ASP 89 Ca 0.44 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.45 1dcp h ASP 89 Cb 0.54 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1dcp h ASP 89 CO -0.31 0.42 0.10 0.40 -1.72 0.00 0.00 179.24 178.12 1dcp h ILE 90 N 0.47 0.85 0.37 0.35 1.08 -1.15 0.52 117.51 120.00 1dcp h ILE 90 Ca 0.13 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1dcp h ILE 90 Cb 0.06 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1dcp h ILE 90 CO -0.02 0.04 -0.18 0.78 -0.69 0.00 0.00 178.15 178.08 1dcp h ASN 91 N 0.23 -0.42 -0.98 1.72 2.35 -0.91 0.02 115.58 117.59 1dcp h ASN 91 Ca 0.17 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1dcp h ASN 91 Cb 0.17 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.60 1dcp h ASN 91 CO -0.20 -0.27 0.65 0.25 -1.65 0.00 0.00 177.43 176.20 1dcp h LEU 92 N -0.53 1.11 -0.20 1.61 5.85 -0.56 -2.23 115.31 120.36 1dcp h LEU 92 Ca -0.05 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1dcp h LEU 92 Cb 0.40 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1dcp h LEU 92 CO 0.08 0.80 -0.27 0.00 -0.34 0.00 0.00 178.44 178.71 1dcp h ALA 93 N 1.37 -0.22 -0.61 1.25 0.00 -0.40 0.61 119.26 121.26 1dcp h ALA 93 Ca 0.37 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1dcp h ALA 93 Cb -0.12 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1dcp h ALA 93 CO -0.09 -0.72 0.33 0.77 0.00 0.00 0.00 179.25 179.54 1dcp h SER 94 N -0.30 0.48 0.32 0.00 0.02 -0.82 -0.39 113.55 112.85 1dcp h SER 94 Ca 0.12 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1dcp h SER 94 Cb 0.49 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1dcp h SER 94 CO -0.37 0.32 -0.29 0.15 -1.14 0.00 0.00 176.83 175.49 1dcp h PHE 95 N 0.62 -0.78 -0.57 3.45 3.57 -0.65 -2.36 116.94 120.22 1dcp h PHE 95 Ca 0.27 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.89 1dcp h PHE 95 Cb 0.16 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 39.11 1dcp h PHE 95 CO -0.09 -0.43 0.03 0.82 -2.23 0.00 0.00 178.31 176.41 1dcp h ILE 96 N -0.63 0.56 -0.49 1.41 2.04 -0.62 0.13 117.51 119.91 1dcp h ILE 96 Ca -0.02 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1dcp h ILE 96 Cb 0.57 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 1dcp h ILE 96 CO -0.04 0.03 -0.55 -0.08 0.00 0.00 0.00 178.15 177.50 1dcp h GLU 97 N 0.15 -0.32 -0.06 2.37 4.57 -0.69 0.50 114.58 121.10 1dcp h GLU 97 Ca 0.30 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1dcp h GLU 97 Cb 0.47 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1dcp h GLU 97 CO -0.46 -0.22 -0.07 1.96 -1.18 0.00 0.00 179.01 179.04 1dcp h GLN 98 N -0.34 -0.09 -0.70 1.92 4.20 -0.82 -1.49 115.11 117.79 1dcp h GLN 98 Ca 0.09 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.91 1dcp h GLN 98 Cb 0.57 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 1dcp h GLN 98 CO -0.65 -0.06 0.46 0.28 -0.67 0.00 0.00 178.83 178.20 1dcp h VAL 99 N -0.09 0.92 -0.09 -0.54 2.07 0.32 -2.86 116.25 115.97 1dcp h VAL 99 Ca 0.05 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1dcp h VAL 99 Cb 0.15 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1dcp h VAL 99 CO -0.11 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.57 1dcp h ALA 100 N 1.65 0.12 -0.92 1.67 0.00 0.10 -3.21 119.26 118.67 1dcp h ALA 100 Ca 0.32 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1dcp h ALA 100 Cb 0.51 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1dcp h ALA 100 CO -0.11 -0.17 0.59 -0.39 0.00 0.00 0.00 179.25 179.17 1dcp h VAL 101 N -0.14 0.87 -0.19 0.00 -1.51 -1.25 -2.33 116.25 111.70 1dcp h VAL 101 Ca 0.02 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1dcp h VAL 101 Cb 0.39 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.54 1dcp h VAL 101 CO 0.01 0.15 -0.03 0.77 -1.23 0.00 0.00 177.57 177.23 1dcp h SER 102 N 0.80 0.26 -0.01 4.19 4.64 -1.55 -3.28 113.55 118.59 1dcp h SER 102 Ca 0.46 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 1dcp h SER 102 Cb 0.62 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1dcp h SER 102 CO -0.22 0.34 -0.04 -0.03 -0.87 0.00 0.00 176.83 176.01 1dcp h MET 103 N 0.28 0.05 0.00 4.77 4.05 -1.42 -3.53 114.93 119.13 1dcp h MET 103 Ca 0.06 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1dcp h MET 103 Cb 0.24 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1dcp h MET 103 CO 0.01 0.65 0.00 2.41 0.23 0.00 0.00 176.91 180.21