#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 -0.91 -0.23 -0.41 0.63 -1.23 -4.58 116.66 109.93 1dcp n ARG 7 Ca 0.00 -0.44 -0.09 0.00 -0.92 0.00 0.00 57.85 56.40 1dcp n ARG 7 Cb 0.00 0.71 -0.01 0.00 0.45 0.00 0.00 32.46 33.60 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 -1.02 0.06 0.00 6.15 4.77 -0.83 -4.86 117.00 121.27 1dcp n LEU 8 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1dcp n LEU 8 Cb 0.02 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1dcp n LEU 8 CO 0.03 -0.22 0.00 -1.54 -1.33 0.00 0.00 177.39 174.33 1dcp n SER 9 N 0.35 0.00 0.00 -1.43 3.41 -1.26 -4.83 113.62 109.85 1dcp n SER 9 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1dcp n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1dcp n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dcp n ALA 10 N -3.00 0.00 0.00 7.33 0.00 -1.26 -4.54 120.51 119.03 1dcp n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dcp n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1dcp n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1dcp n GLU 11 N 0.00 0.00 0.29 0.00 2.13 -1.26 0.30 120.64 122.09 1dcp n GLU 11 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1dcp n GLU 11 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1dcp n GLU 11 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1dcp h GLU 12 N 0.00 -0.93 -0.50 5.31 5.08 -1.96 0.33 114.58 121.91 1dcp h GLU 12 Ca 0.00 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1dcp h GLU 12 Cb 0.00 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1dcp h GLU 12 CO 0.00 -0.62 -0.29 0.54 -1.00 0.00 0.00 179.01 177.64 1dcp n ARG 13 N -5.55 -0.22 -0.79 2.33 1.74 0.87 0.20 116.66 115.24 1dcp n ARG 13 Ca -0.12 1.06 -0.08 0.00 -0.77 0.00 0.00 57.85 57.94 1dcp n ARG 13 Cb 0.45 -1.57 -0.12 0.00 -1.02 0.00 0.00 32.46 30.20 1dcp n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1dcp n ASP 14 N -4.16 4.75 0.00 0.55 8.00 -0.10 -0.59 116.55 124.99 1dcp n ASP 14 Ca 0.01 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1dcp n ASP 14 Cb 0.13 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 1dcp n ASP 14 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1dcp n GLN 15 N 2.31 0.00 -0.10 -1.24 7.27 0.40 -4.78 117.38 121.24 1dcp n GLN 15 Ca 0.29 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.19 1dcp n GLN 15 Cb 0.74 -0.06 -0.08 0.00 2.41 0.00 0.00 30.24 33.25 1dcp n GLN 15 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1dcp n LEU 16 N -1.90 1.86 -0.16 1.69 4.77 0.55 -4.53 117.00 119.27 1dcp n LEU 16 Ca 0.00 0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 56.41 1dcp n LEU 16 Cb 0.00 -0.91 0.06 0.00 -2.33 0.00 0.00 43.42 40.24 1dcp n LEU 16 CO 0.00 0.07 1.00 -0.07 -1.33 0.00 0.00 177.39 177.06 1dcp h LEU 17 N -1.00 0.30 -1.59 2.23 3.38 -0.99 -2.96 115.31 114.68 1dcp h LEU 17 Ca -0.28 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.06 1dcp h LEU 17 Cb 1.10 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1dcp h LEU 17 CO -0.17 0.21 0.78 1.55 0.09 0.00 0.00 178.44 180.90 1dcp h PRO 18 N 0.44 0.20 -0.38 1.13 0.13 -1.80 1.32 132.00 133.04 1dcp h PRO 18 Ca 0.23 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.22 1dcp h PRO 18 Cb 0.18 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 1dcp h PRO 18 CO -0.19 0.13 -0.27 -0.91 -0.23 0.00 0.00 178.00 176.53 1dcp h ASN 19 N 0.21 0.83 -0.25 1.44 2.35 -1.76 -0.94 115.58 117.45 1dcp h ASN 19 Ca 0.63 -0.32 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 1dcp h ASN 19 Cb 1.99 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 40.13 1dcp h ASN 19 CO -0.22 1.05 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.31 1dcp h LEU 20 N 0.69 0.64 -0.65 1.61 3.38 0.14 -2.82 115.31 118.28 1dcp h LEU 20 Ca 0.08 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1dcp h LEU 20 Cb 0.80 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1dcp h LEU 20 CO 0.07 0.97 0.38 -0.09 0.09 0.00 0.00 178.44 179.86 1dcp h ARG 21 N 0.31 0.69 -1.06 1.13 2.43 -0.36 -0.58 114.38 116.94 1dcp h ARG 21 Ca 0.04 -0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.45 1dcp h ARG 21 Cb 0.79 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.10 1dcp h ARG 21 CO 0.06 0.46 0.69 0.00 -1.51 0.00 0.00 179.97 179.67 1dcp h ALA 22 N 1.32 2.36 -0.17 2.80 0.00 -0.92 0.39 119.26 125.05 1dcp h ALA 22 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1dcp h ALA 22 Cb 0.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1dcp h ALA 22 CO -0.16 -0.76 0.00 0.28 0.00 0.00 0.00 179.25 178.61 1dcp n VAL 23 N -4.57 0.21 0.00 0.00 0.31 -0.34 -4.89 118.33 109.06 1dcp n VAL 23 Ca 0.25 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1dcp n VAL 23 Cb 0.93 0.39 0.00 0.00 -0.91 0.00 0.00 33.84 34.25 1dcp n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dcp n GLY 24 N 1.14 0.86 3.69 2.92 0.00 0.14 -5.07 105.19 108.88 1dcp n GLY 24 Ca 0.16 0.00 -0.42 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 -2.00 3.55 0.37 1.61 0.52 -0.55 -4.77 118.94 117.67 1dcp s TRP 25 Ca 0.00 1.61 0.08 0.00 0.02 0.00 0.00 56.10 57.81 1dcp s TRP 25 Cb 0.00 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.12 1dcp s TRP 25 CO 0.00 -0.17 0.22 -0.80 0.02 0.00 0.00 176.95 176.22 1dcp s ASN 26 N 1.07 4.81 -0.09 2.95 -0.87 -0.02 -3.80 114.94 118.99 1dcp s ASN 26 Ca 0.49 -0.78 -0.13 0.00 -1.57 0.00 0.00 52.86 50.87 1dcp s ASN 26 Cb -0.19 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.25 40.30 1dcp s ASN 26 CO 0.20 -0.42 0.32 -1.61 -2.57 0.00 0.00 177.10 173.02 1dcp s GLU 27 N -3.94 3.99 0.23 -0.60 2.02 -1.26 -0.38 118.70 118.77 1dcp s GLU 27 Ca 0.41 0.20 -0.30 0.00 0.02 0.00 0.00 54.97 55.30 1dcp s GLU 27 Cb -0.02 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.81 1dcp s GLU 27 CO 0.24 0.49 1.24 -1.17 0.02 0.00 0.00 175.26 176.09 1dcp s LEU 28 N -0.35 4.45 -0.26 1.80 2.96 -0.72 -4.90 118.68 121.66 1dcp s LEU 28 Ca 0.20 2.38 -0.22 0.00 -0.22 0.00 0.00 54.13 56.27 1dcp s LEU 28 Cb -0.14 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1dcp s LEU 28 CO 0.08 -0.42 0.69 -0.70 -1.32 0.00 0.00 176.35 174.67 1dcp s GLU 29 N -0.62 4.10 0.00 1.98 -6.30 -1.26 -3.82 118.70 112.77 1dcp s GLU 29 Ca 0.52 0.62 0.00 0.00 -2.50 0.00 0.00 54.97 53.62 1dcp s GLU 29 Cb -0.35 -3.66 0.00 0.00 0.00 0.00 0.00 34.13 30.12 1dcp s GLU 29 CO 0.41 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1dcp n GLY 30 N 4.09 0.78 3.53 -1.50 0.00 -1.26 -5.06 105.19 105.78 1dcp n GLY 30 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1dcp n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dcp s ARG 31 N -0.70 0.83 -1.03 1.61 0.52 -1.25 -5.07 118.95 113.86 1dcp s ARG 31 Ca 0.00 -0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 55.01 1dcp s ARG 31 Cb 0.00 0.39 0.14 0.00 0.52 0.00 0.00 34.95 35.99 1dcp s ARG 31 CO 0.00 -0.30 1.26 0.34 0.02 0.00 0.00 175.30 176.61 1dcp s ASP 32 N -1.70 6.76 0.27 0.23 2.15 -1.26 -4.51 116.67 118.61 1dcp s ASP 32 Ca -0.01 -2.30 -0.17 0.00 0.43 0.00 0.00 52.55 50.50 1dcp s ASP 32 Cb -0.01 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 1dcp s ASP 32 CO -0.01 -1.00 0.62 0.00 -0.17 0.00 0.00 175.17 174.60 1dcp s ALA 33 N 2.55 -0.74 0.09 3.66 0.00 -1.26 -3.29 121.76 122.76 1dcp s ALA 33 Ca 0.37 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.76 1dcp s ALA 33 Cb -0.04 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1dcp s ALA 33 CO -0.06 -0.96 -0.08 0.96 0.00 0.00 0.00 175.76 175.62 1dcp s ILE 34 N -3.86 0.76 0.19 0.00 -4.36 -0.75 -1.75 121.20 111.43 1dcp s ILE 34 Ca 0.16 -1.69 -0.17 0.00 -0.26 0.00 0.00 60.65 58.69 1dcp s ILE 34 Cb -0.04 -1.39 0.03 0.00 1.25 0.00 0.00 42.46 42.32 1dcp s ILE 34 CO 0.08 -0.68 0.51 0.72 0.24 0.00 0.00 174.94 175.82 1dcp s PHE 35 N -2.82 -0.13 -0.10 1.37 -0.71 0.49 -0.63 117.98 115.46 1dcp s PHE 35 Ca 0.06 -0.20 -0.30 0.00 -1.04 0.00 0.00 56.93 55.45 1dcp s PHE 35 Cb -0.00 0.38 0.07 0.00 -1.21 0.00 0.00 43.02 42.26 1dcp s PHE 35 CO -0.02 -0.89 0.71 0.21 -1.34 0.00 0.00 175.22 173.89 1dcp s LYS 36 N -3.86 0.99 -0.03 1.99 2.20 0.79 -0.84 119.74 120.98 1dcp s LYS 36 Ca 0.08 0.39 0.04 0.00 -0.36 0.00 0.00 55.97 56.12 1dcp s LYS 36 Cb -0.01 0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 1dcp s LYS 36 CO -0.04 -0.28 -0.14 -1.14 -0.36 0.00 0.00 175.35 173.39 1dcp s GLN 37 N -0.90 2.43 -0.05 4.03 0.74 -1.26 -0.76 119.66 123.89 1dcp s GLN 37 Ca -0.08 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.62 1dcp s GLN 37 Cb -0.01 -2.36 -0.02 0.00 1.10 0.00 0.00 33.01 31.72 1dcp s GLN 37 CO 0.08 0.61 -0.18 -0.06 -0.55 0.00 0.00 175.29 175.18 1dcp s PHE 38 N -0.81 2.60 -0.12 1.67 0.40 0.12 -4.98 117.98 116.86 1dcp s PHE 38 Ca 0.13 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1dcp s PHE 38 Cb -0.11 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.81 1dcp s PHE 38 CO 0.02 0.03 -0.18 -1.01 0.70 0.00 0.00 175.22 174.79 1dcp s HIS 39 N -0.49 2.23 0.42 0.36 3.76 -1.26 0.32 115.29 120.63 1dcp s HIS 39 Ca 0.06 -1.10 0.07 0.00 -0.15 0.00 0.00 55.06 53.94 1dcp s HIS 39 Cb -0.12 -1.57 -0.07 0.00 1.11 0.00 0.00 32.58 31.93 1dcp s HIS 39 CO 0.01 -0.54 0.06 -0.06 -0.85 0.00 0.00 174.74 173.36 1dcp s PHE 40 N 0.95 2.49 0.16 1.40 0.08 0.12 -4.99 117.98 118.20 1dcp s PHE 40 Ca -0.06 -0.67 -0.09 0.00 0.12 0.00 0.00 56.93 56.23 1dcp s PHE 40 Cb -0.15 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1dcp s PHE 40 CO -0.02 0.36 1.50 -0.22 -0.10 0.00 0.00 175.22 176.74 1dcp h LYS 41 N 1.65 0.86 0.00 0.44 3.64 -1.90 -3.45 116.57 117.80 1dcp h LYS 41 Ca -0.44 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.44 1dcp h LYS 41 Cb 1.25 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1dcp h LYS 41 CO 0.78 1.09 -0.02 -0.40 -2.27 0.00 0.00 179.45 178.62 1dcp n ASP 42 N -4.05 -0.27 0.07 4.20 5.68 -1.26 -4.92 116.55 116.01 1dcp n ASP 42 Ca -0.02 -1.36 -0.12 0.00 -0.50 0.00 0.00 54.79 52.79 1dcp n ASP 42 Cb 0.54 0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 40.98 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 1.19 0.52 -0.92 2.11 3.57 -1.91 -2.23 116.94 119.27 1dcp h PHE 43 Ca -0.05 -0.28 0.17 0.00 3.53 0.00 0.00 57.97 61.33 1dcp h PHE 43 Cb 0.23 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 38.81 1dcp h PHE 43 CO 0.00 1.10 0.51 -0.97 -2.23 0.00 0.00 178.31 176.72 1dcp h ASN 44 N 0.20 0.64 -0.01 0.41 -0.73 -1.96 0.33 115.58 114.46 1dcp h ASN 44 Ca -0.07 0.09 -0.26 0.00 1.87 0.00 0.00 56.30 57.93 1dcp h ASN 44 Cb 1.54 -0.01 0.02 0.00 0.27 0.00 0.00 38.32 40.14 1dcp h ASN 44 CO 0.15 0.25 -1.02 0.03 -0.37 0.00 0.00 177.43 176.47 1dcp h ARG 45 N 0.69 0.71 -0.29 6.67 3.08 -1.96 -2.73 114.38 120.54 1dcp h ARG 45 Ca 0.51 -0.75 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1dcp h ARG 45 Cb 0.76 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1dcp h ARG 45 CO -0.37 1.32 0.15 0.00 -1.07 0.00 0.00 179.97 180.00 1dcp h ALA 46 N 0.41 0.36 -0.30 0.04 0.00 -0.30 -0.61 119.26 118.85 1dcp h ALA 46 Ca -0.12 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1dcp h ALA 46 Cb 1.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1dcp h ALA 46 CO 0.20 -0.23 -0.33 0.35 0.00 0.00 0.00 179.25 179.24 1dcp h PHE 47 N 0.31 0.91 -0.95 0.00 3.57 -0.57 -2.72 116.94 117.49 1dcp h PHE 47 Ca 0.12 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.34 1dcp h PHE 47 Cb 0.03 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 1dcp h PHE 47 CO -0.09 1.05 0.61 0.78 -2.23 0.00 0.00 178.31 178.43 1dcp h GLY 48 N 0.50 1.35 1.03 2.40 0.00 -1.43 0.31 103.07 107.23 1dcp h GLY 48 Ca 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1dcp h GLY 48 CO 0.08 0.51 0.35 -2.75 0.00 0.00 0.00 176.54 174.72 1dcp h PHE 49 N 1.29 1.11 -0.43 5.60 3.57 -1.05 -2.75 116.94 124.28 1dcp h PHE 49 Ca 0.35 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1dcp h PHE 49 Cb -0.12 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.26 1dcp h PHE 49 CO -0.00 0.82 0.11 0.52 -2.23 0.00 0.00 178.31 177.54 1dcp h MET 50 N 1.07 0.68 -0.02 1.11 2.86 -0.90 -2.72 114.93 117.01 1dcp h MET 50 Ca 0.26 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1dcp h MET 50 Cb 0.15 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 1dcp h MET 50 CO -0.03 0.69 -0.21 1.15 1.06 0.00 0.00 176.91 179.57 1dcp h THR 51 N 0.56 0.50 -0.12 2.22 2.02 -0.27 0.56 112.91 118.39 1dcp h THR 51 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1dcp h THR 51 Cb 0.30 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1dcp h THR 51 CO -0.00 0.00 -0.04 0.03 0.37 0.00 0.00 175.52 175.88 1dcp h ARG 52 N -0.32 0.17 0.02 6.66 3.08 -1.43 0.23 114.38 122.78 1dcp h ARG 52 Ca 0.07 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.88 1dcp h ARG 52 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1dcp h ARG 52 CO -0.21 0.22 -0.96 0.28 -1.07 0.00 0.00 179.97 178.24 1dcp h VAL 53 N 0.17 1.56 -0.28 2.04 2.07 -1.18 -2.83 116.25 117.79 1dcp h VAL 53 Ca 0.04 -2.90 -0.02 0.00 0.82 0.00 0.00 66.70 64.63 1dcp h VAL 53 Cb 0.18 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1dcp h VAL 53 CO 0.01 0.84 0.08 0.00 0.02 0.00 0.00 177.57 178.52 1dcp h ALA 54 N 0.95 0.37 -0.85 1.67 0.00 0.20 0.31 119.26 121.90 1dcp h ALA 54 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1dcp h ALA 54 Cb 1.63 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1dcp h ALA 54 CO 0.14 0.01 0.45 -0.07 0.00 0.00 0.00 179.25 179.78 1dcp h LEU 55 N 0.29 1.07 -0.50 0.00 3.38 -0.63 -2.24 115.31 116.69 1dcp h LEU 55 Ca 0.09 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1dcp h LEU 55 Cb 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1dcp h LEU 55 CO -0.00 0.87 -0.03 -0.61 0.09 0.00 0.00 178.44 178.77 1dcp h GLN 56 N 1.19 0.89 -0.12 1.13 5.75 -1.26 -2.20 115.11 120.50 1dcp h GLN 56 Ca 0.30 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1dcp h GLN 56 Cb 0.05 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1dcp h GLN 56 CO -0.05 0.94 -0.05 0.00 -2.65 0.00 0.00 178.83 177.02 1dcp h ALA 57 N 0.92 0.05 -0.49 3.38 0.00 0.18 -1.26 119.26 122.05 1dcp h ALA 57 Ca 0.14 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1dcp h ALA 57 Cb 0.55 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1dcp h ALA 57 CO 0.03 -0.51 0.33 0.93 0.00 0.00 0.00 179.25 180.03 1dcp h GLU 58 N -0.04 0.43 -0.16 0.00 4.39 -1.45 0.98 114.58 118.72 1dcp h GLU 58 Ca 0.06 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 1dcp h GLU 58 Cb 0.14 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1dcp h GLU 58 CO -0.14 0.28 -0.57 -0.22 -1.16 0.00 0.00 179.01 177.19 1dcp h LYS 59 N 0.44 0.52 0.00 2.33 3.64 -0.68 -3.25 116.57 119.56 1dcp h LYS 59 Ca 0.21 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1dcp h LYS 59 Cb 0.27 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1dcp h LYS 59 CO -0.05 0.95 -1.32 1.28 -2.27 0.00 0.00 179.45 178.04 1dcp n LEU 60 N -3.94 0.51 -2.19 5.20 4.77 -0.53 -4.97 117.00 115.86 1dcp n LEU 60 Ca -0.03 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1dcp n LEU 60 Cb 0.62 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1dcp n LEU 60 CO 0.47 -0.05 0.14 -0.67 -1.33 0.00 0.00 177.39 175.95 1dcp n ASP 61 N -2.29 -4.41 -3.76 -1.43 2.03 0.33 -5.03 116.55 101.99 1dcp n ASP 61 Ca -0.01 -0.29 -0.23 0.00 0.52 0.00 0.00 54.79 54.78 1dcp n ASP 61 Cb 0.51 -2.98 -0.18 0.00 -0.72 0.00 0.00 41.12 37.76 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 -3.17 0.64 -0.06 -0.67 2.46 -0.89 -5.03 115.29 108.56 1dcp s HIS 62 Ca 0.32 -0.17 0.03 0.00 0.47 0.00 0.00 55.06 55.71 1dcp s HIS 62 Cb -0.14 -0.79 -0.02 0.00 -0.13 0.00 0.00 32.58 31.50 1dcp s HIS 62 CO 0.40 -0.33 -0.15 -1.01 -2.47 0.00 0.00 174.74 171.17 1dcp s HIS 63 N 1.98 2.69 0.73 3.88 3.76 -1.26 -4.36 115.29 122.71 1dcp s HIS 63 Ca 0.05 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1dcp s HIS 63 Cb -0.12 -1.66 0.08 0.00 1.11 0.00 0.00 32.58 31.99 1dcp s HIS 63 CO -0.05 0.08 1.04 -1.25 -0.85 0.00 0.00 174.74 173.70 1dcp s PRO 64 N -0.49 1.97 -0.43 8.40 0.04 -1.26 -4.89 135.00 138.34 1dcp s PRO 64 Ca 0.06 -0.40 -0.10 0.00 0.04 0.00 0.00 61.00 60.60 1dcp s PRO 64 Cb -0.12 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1dcp s PRO 64 CO 0.02 -1.38 0.28 -1.21 0.04 0.00 0.00 177.00 174.75 1dcp s GLU 65 N -5.29 2.65 0.13 4.56 2.02 -0.89 -5.00 118.70 116.88 1dcp s GLU 65 Ca 0.62 -1.45 0.08 0.00 0.02 0.00 0.00 54.97 54.25 1dcp s GLU 65 Cb -0.09 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1dcp s GLU 65 CO 0.45 -0.96 -0.19 1.67 0.02 0.00 0.00 175.26 176.25 1dcp s TRP 66 N 1.45 1.76 -0.06 1.61 -2.14 -1.26 -1.52 118.94 118.79 1dcp s TRP 66 Ca 0.03 -0.45 0.06 0.00 2.66 0.00 0.00 56.10 58.40 1dcp s TRP 66 Cb -0.23 -0.93 -0.01 0.00 -3.10 0.00 0.00 33.47 29.20 1dcp s TRP 66 CO 0.03 0.25 -0.24 0.12 -2.66 0.00 0.00 176.95 174.45 1dcp s PHE 67 N -1.60 2.31 0.02 1.66 5.36 -0.20 -4.97 117.98 120.56 1dcp s PHE 67 Ca 0.10 -0.69 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 1dcp s PHE 67 Cb -0.08 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.07 1dcp s PHE 67 CO 0.05 -0.21 -0.07 1.21 -1.46 0.00 0.00 175.22 174.73 1dcp s ASN 68 N -0.12 0.85 -0.15 6.13 3.84 -1.26 -1.05 114.94 123.18 1dcp s ASN 68 Ca -0.04 -0.29 -0.04 0.00 0.21 0.00 0.00 52.86 52.70 1dcp s ASN 68 Cb -0.13 -0.04 0.08 0.00 -0.55 0.00 0.00 41.25 40.60 1dcp s ASN 68 CO 0.04 -0.02 0.24 -0.69 -2.79 0.00 0.00 177.10 173.88 1dcp s VAL 69 N -0.62 -0.38 0.00 -5.21 1.01 -0.80 -5.02 120.40 109.38 1dcp s VAL 69 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1dcp s VAL 69 Cb -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1dcp s VAL 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.11 1dcp n TYR 70 N 5.34 0.00 0.70 5.22 9.36 -1.26 -0.51 117.16 136.01 1dcp n TYR 70 Ca -0.06 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.25 1dcp n TYR 70 Cb 0.50 0.00 0.23 0.00 -0.63 0.00 0.00 39.34 39.44 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 5.22 2.29 -4.53 2.98 6.94 -1.26 -4.32 115.26 122.58 1dcp n ASN 71 Ca 0.00 -1.94 -0.33 0.00 -0.02 0.00 0.00 54.58 52.29 1dcp n ASN 71 Cb 0.00 -0.25 -0.12 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.49 2.61 -0.06 -3.83 3.01 0.33 -0.70 119.74 119.61 1dcp s LYS 72 Ca 0.31 -0.63 -0.01 0.00 -1.01 0.00 0.00 55.97 54.63 1dcp s LYS 72 Cb 0.16 -2.48 0.03 0.00 -1.01 0.00 0.00 37.83 34.53 1dcp s LYS 72 CO 0.22 0.64 0.00 0.08 0.51 0.00 0.00 175.35 176.80 1dcp s VAL 73 N -0.79 0.31 -0.18 3.17 1.01 0.15 -1.91 120.40 122.17 1dcp s VAL 73 Ca 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1dcp s VAL 73 Cb -0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1dcp s VAL 73 CO 0.01 0.23 -0.08 -2.28 0.00 0.00 0.00 175.10 172.98 1dcp s HIS 74 N 1.67 2.91 -0.10 5.22 5.04 -0.22 0.11 115.29 129.92 1dcp s HIS 74 Ca 0.00 -0.78 0.03 0.00 -1.54 0.00 0.00 55.06 52.78 1dcp s HIS 74 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 32.58 30.51 1dcp s HIS 74 CO -0.04 -0.37 -0.21 0.42 -2.34 0.00 0.00 174.74 172.21 1dcp s ILE 75 N 0.92 1.84 -0.13 0.89 1.01 0.06 -1.03 121.20 124.75 1dcp s ILE 75 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1dcp s ILE 75 Cb -0.15 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1dcp s ILE 75 CO 0.00 0.51 -0.10 -0.89 0.00 0.00 0.00 174.94 174.46 1dcp s THR 76 N 0.48 3.36 -0.09 2.92 2.01 -0.57 -0.15 115.64 123.60 1dcp s THR 76 Ca -0.17 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1dcp s THR 76 Cb -0.17 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.93 1dcp s THR 76 CO 0.07 0.52 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.62 1dcp s LEU 77 N 0.20 1.70 -0.08 4.42 1.43 0.20 -2.09 118.68 124.45 1dcp s LEU 77 Ca -0.06 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 1dcp s LEU 77 Cb -0.15 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.17 1dcp s LEU 77 CO 0.04 0.03 0.79 -0.55 0.23 0.00 0.00 176.35 176.89 1dcp s SER 78 N 0.80 -0.55 -0.24 2.29 0.15 -1.26 -1.81 113.70 113.08 1dcp s SER 78 Ca -0.11 0.57 -0.14 0.00 0.70 0.00 0.00 55.95 56.97 1dcp s SER 78 Cb -0.16 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1dcp s SER 78 CO 0.02 -0.54 0.31 -0.89 1.20 0.00 0.00 173.24 173.34 1dcp s THR 79 N -1.32 5.24 0.27 6.45 2.01 0.10 -4.89 115.64 123.50 1dcp s THR 79 Ca -0.07 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1dcp s THR 79 Cb -0.00 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.93 1dcp s THR 79 CO 0.06 0.24 1.72 0.45 -0.69 0.00 0.00 174.62 176.40 1dcp h HIS 80 N 7.77 0.59 0.02 4.92 3.86 -1.96 0.68 115.15 131.03 1dcp h HIS 80 Ca -0.35 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 58.77 1dcp h HIS 80 Cb 1.17 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 29.44 1dcp h HIS 80 CO 0.71 0.72 -0.41 0.93 0.86 0.00 0.00 177.93 180.74 1dcp h GLU 81 N 0.47 -0.56 -0.20 2.45 5.08 -1.93 -1.98 114.58 117.91 1dcp h GLU 81 Ca 0.07 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1dcp h GLU 81 Cb 0.65 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1dcp h GLU 81 CO 0.05 -0.37 0.00 0.00 -1.00 0.00 0.00 179.01 177.68 1dcp n ALA 83 N 0.30 -2.40 0.00 0.00 0.00 0.07 -4.86 120.51 113.61 1dcp n ALA 83 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1dcp n ALA 83 Cb 0.30 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.78 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 -1.90 -2.02 3.69 0.00 0.00 -0.23 -4.80 105.19 99.93 1dcp n GLY 84 Ca -0.16 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 4.37 0.35 0.99 1.43 -1.21 0.01 118.68 124.62 1dcp s LEU 85 Ca 0.00 2.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 1dcp s LEU 85 Cb 0.00 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 1dcp s LEU 85 CO 0.00 -0.91 0.07 -0.94 0.23 0.00 0.00 176.35 174.80 1dcp s SER 86 N 2.58 2.55 0.61 2.29 1.04 -1.26 -1.96 113.70 119.55 1dcp s SER 86 Ca 0.75 -1.43 0.37 0.00 0.48 0.00 0.00 55.95 56.11 1dcp s SER 86 Cb -0.40 0.02 2.02 0.00 0.10 0.00 0.00 66.02 67.75 1dcp s SER 86 CO 0.33 -0.66 2.26 1.05 0.98 0.00 0.00 173.24 177.20 1dcp h GLU 87 N 2.02 0.00 -0.07 4.02 4.11 -1.94 -2.10 114.58 120.62 1dcp h GLU 87 Ca -0.40 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.07 1dcp h GLU 87 Cb 1.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 1dcp h GLU 87 CO 0.68 0.02 -0.30 0.00 0.07 0.00 0.00 179.01 179.48 1dcp h ARG 88 N 0.00 -0.39 -0.53 1.06 3.08 -1.98 0.95 114.38 116.58 1dcp h ARG 88 Ca -0.00 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.18 1dcp h ARG 88 Cb 0.09 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 1dcp h ARG 88 CO 0.00 -0.26 -0.07 -0.44 -1.07 0.00 0.00 179.97 178.13 1dcp h ASP 89 N -0.40 -0.37 0.00 7.04 3.32 -1.75 -0.78 116.42 123.48 1dcp h ASP 89 Ca 0.08 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1dcp h ASP 89 Cb 0.53 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1dcp h ASP 89 CO -0.30 -0.13 0.00 -0.38 -1.72 0.00 0.00 179.24 176.70 1dcp n ILE 90 N -5.32 0.00 -0.21 0.35 2.08 0.10 -0.88 119.36 115.49 1dcp n ILE 90 Ca 0.06 1.49 0.01 0.00 0.56 0.00 0.00 62.75 64.88 1dcp n ILE 90 Cb 0.29 -2.22 0.11 0.00 -0.75 0.00 0.00 39.64 37.06 1dcp n ILE 90 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1dcp h ASN 91 N 0.00 -0.26 -0.71 4.38 -0.26 -0.75 -0.65 115.58 117.33 1dcp h ASN 91 Ca 0.00 0.15 0.12 0.00 -0.56 0.00 0.00 56.30 56.01 1dcp h ASN 91 Cb 0.00 0.27 -0.08 0.00 -1.06 0.00 0.00 38.32 37.45 1dcp h ASN 91 CO 0.00 -0.11 0.30 0.25 -1.06 0.00 0.00 177.43 176.80 1dcp h LEU 92 N 0.12 0.31 -0.12 1.61 5.85 -0.77 0.10 115.31 122.42 1dcp h LEU 92 Ca 0.33 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.17 1dcp h LEU 92 Cb 0.54 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1dcp h LEU 92 CO -0.54 0.15 -0.07 0.00 -0.34 0.00 0.00 178.44 177.65 1dcp h ALA 93 N 1.49 0.03 -0.80 1.25 0.00 0.51 0.58 119.26 122.32 1dcp h ALA 93 Ca 0.37 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1dcp h ALA 93 Cb 0.50 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1dcp h ALA 93 CO -0.35 -0.52 0.53 0.77 0.00 0.00 0.00 179.25 179.68 1dcp h SER 94 N -0.07 0.86 -0.31 0.00 0.02 -0.51 0.50 113.55 114.04 1dcp h SER 94 Ca 0.07 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1dcp h SER 94 Cb 0.17 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1dcp h SER 94 CO -0.16 0.60 -0.16 0.15 -1.14 0.00 0.00 176.83 176.13 1dcp h PHE 95 N 1.01 0.75 -0.93 3.45 3.57 -0.13 -1.78 116.94 122.88 1dcp h PHE 95 Ca 0.31 -0.19 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1dcp h PHE 95 Cb -0.00 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.50 1dcp h PHE 95 CO -0.00 0.88 0.58 0.82 -2.23 0.00 0.00 178.31 178.36 1dcp h ILE 96 N 0.41 1.00 -0.24 1.41 2.04 0.24 0.52 117.51 122.90 1dcp h ILE 96 Ca 0.07 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1dcp h ILE 96 Cb 0.68 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1dcp h ILE 96 CO 0.05 0.18 0.09 -0.33 0.00 0.00 0.00 178.15 178.14 1dcp h GLU 97 N 1.00 0.20 -0.75 2.37 4.39 0.30 0.34 114.58 122.42 1dcp h GLU 97 Ca 0.42 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.15 1dcp h GLU 97 Cb 0.28 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 1dcp h GLU 97 CO -0.21 0.13 0.47 0.37 -1.16 0.00 0.00 179.01 178.61 1dcp h GLN 98 N 0.20 0.88 -0.37 2.33 4.15 -0.65 -0.76 115.11 120.90 1dcp h GLN 98 Ca 0.10 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1dcp h GLN 98 Cb 0.06 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1dcp h GLN 98 CO -0.10 0.58 0.11 0.28 -1.93 0.00 0.00 178.83 177.77 1dcp h VAL 99 N 0.90 1.21 -0.84 2.39 2.07 -0.39 -3.04 116.25 118.55 1dcp h VAL 99 Ca 0.31 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.23 1dcp h VAL 99 Cb 0.05 0.97 -0.12 0.00 -1.52 0.00 0.00 31.29 30.68 1dcp h VAL 99 CO -0.13 0.24 -0.53 0.00 0.02 0.00 0.00 177.57 177.17 1dcp h ALA 100 N 0.96 -0.44 -0.76 1.67 0.00 0.11 -1.77 119.26 119.03 1dcp h ALA 100 Ca 0.12 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.31 1dcp h ALA 100 Cb 0.25 1.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.15 1dcp h ALA 100 CO -0.00 -0.91 0.23 0.28 0.00 0.00 0.00 179.25 178.85 1dcp h VAL 101 N -0.10 0.55 -1.00 0.00 2.07 -1.20 -1.85 116.25 114.71 1dcp h VAL 101 Ca 0.18 -0.11 0.18 0.00 0.82 0.00 0.00 66.70 67.77 1dcp h VAL 101 Cb 0.50 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.36 1dcp h VAL 101 CO -0.85 0.06 0.62 0.28 0.02 0.00 0.00 177.57 177.69 1dcp h SER 102 N 0.33 0.78 0.38 0.57 0.02 -1.24 -3.19 113.55 111.19 1dcp h SER 102 Ca 0.43 0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 61.32 1dcp h SER 102 Cb 0.73 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1dcp h SER 102 CO -0.48 0.30 -1.75 0.23 -1.14 0.00 0.00 176.83 173.99 1dcp n MET 103 N -4.71 0.65 0.00 3.45 2.81 -0.85 -5.17 117.12 113.30 1dcp n MET 103 Ca 0.22 0.04 0.15 0.00 -1.81 0.00 0.00 57.70 56.30 1dcp n MET 103 Cb 0.55 -1.66 0.77 0.00 -0.71 0.00 0.00 33.22 32.17 1dcp n MET 103 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89