#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 0.10 0.13 -1.40 3.52 -1.26 -4.66 118.95 115.37 1dcp s ARG 7 Ca 0.00 0.18 -0.35 0.00 -0.13 0.00 0.00 55.73 55.43 1dcp s ARG 7 Cb 0.00 -0.01 -0.15 0.00 -1.56 0.00 0.00 34.95 33.24 1dcp s ARG 7 CO 0.00 -0.05 1.52 1.28 -0.81 0.00 0.00 175.30 177.24 1dcp n LEU 8 N 3.31 2.69 -4.90 -0.88 4.77 -0.76 -4.97 117.00 116.27 1dcp n LEU 8 Ca -0.16 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.62 1dcp n LEU 8 Cb 0.57 -1.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.35 1dcp n LEU 8 CO 0.22 -0.49 0.66 -0.94 -1.33 0.00 0.00 177.39 175.51 1dcp s SER 9 N 0.93 5.49 0.28 -1.43 1.04 -1.26 -4.87 113.70 113.89 1dcp s SER 9 Ca 0.81 0.95 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 1dcp s SER 9 Cb -0.76 -1.83 0.44 0.00 0.10 0.00 0.00 66.02 63.97 1dcp s SER 9 CO 0.41 -1.24 1.91 0.00 0.98 0.00 0.00 173.24 175.30 1dcp h ALA 10 N -0.46 1.43 -0.48 5.32 0.00 -2.00 -1.22 119.26 121.84 1dcp h ALA 10 Ca -0.45 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1dcp h ALA 10 Cb 1.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1dcp h ALA 10 CO 0.63 0.45 -0.14 0.93 0.00 0.00 0.00 179.25 181.12 1dcp h GLU 11 N 1.14 0.95 -0.12 0.00 4.39 -1.99 -2.58 114.58 116.36 1dcp h GLU 11 Ca 0.39 -0.37 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1dcp h GLU 11 Cb 0.11 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1dcp h GLU 11 CO -0.14 1.03 -0.04 0.93 -1.16 0.00 0.00 179.01 179.64 1dcp h GLU 12 N 0.80 -0.01 -0.40 2.33 5.08 -1.77 0.15 114.58 120.76 1dcp h GLU 12 Ca 0.12 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1dcp h GLU 12 Cb 0.70 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 1dcp h GLU 12 CO 0.05 -0.01 -0.24 0.00 -1.00 0.00 0.00 179.01 177.82 1dcp h ARG 13 N -0.01 -0.16 -0.96 2.33 3.08 -1.10 0.21 114.38 117.76 1dcp h ARG 13 Ca 0.06 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.26 1dcp h ARG 13 Cb 0.10 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 1dcp h ARG 13 CO -0.13 -0.11 0.61 -0.44 -1.07 0.00 0.00 179.97 178.83 1dcp h ASP 14 N -0.17 0.80 0.44 7.04 3.32 -1.00 0.57 116.42 127.41 1dcp h ASP 14 Ca 0.19 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 1dcp h ASP 14 Cb 0.47 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1dcp h ASP 14 CO -0.50 0.40 -0.66 1.56 -1.72 0.00 0.00 179.24 178.32 1dcp h GLN 15 N 0.84 0.20 0.00 3.56 4.20 0.14 -3.40 115.11 120.65 1dcp h GLN 15 Ca 0.49 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 1dcp h GLN 15 Cb 0.65 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1dcp h GLN 15 CO -0.26 0.79 -1.08 1.28 -0.67 0.00 0.00 178.83 178.89 1dcp n LEU 16 N -3.82 1.54 -0.09 1.46 4.77 -0.49 -4.82 117.00 115.54 1dcp n LEU 16 Ca -0.02 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1dcp n LEU 16 Cb 0.66 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1dcp n LEU 16 CO 0.45 0.28 0.98 -0.07 -1.33 0.00 0.00 177.39 177.70 1dcp h LEU 17 N 0.00 0.38 -1.18 2.23 3.38 -0.08 -3.07 115.31 116.96 1dcp h LEU 17 Ca -0.03 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.09 1dcp h LEU 17 Cb 1.06 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1dcp h LEU 17 CO -0.00 0.31 0.61 -0.65 0.09 0.00 0.00 178.44 178.80 1dcp h PRO 18 N 0.41 0.65 -0.22 1.13 0.11 -1.78 0.36 132.00 132.67 1dcp h PRO 18 Ca 0.11 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1dcp h PRO 18 Cb -0.01 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1dcp h PRO 18 CO -0.02 0.43 -0.01 -0.91 -0.21 0.00 0.00 178.00 177.27 1dcp h ASN 19 N 0.67 0.29 0.25 -2.05 -0.26 -1.86 -1.85 115.58 110.77 1dcp h ASN 19 Ca 0.54 -0.04 -0.34 0.00 -0.56 0.00 0.00 56.30 55.89 1dcp h ASN 19 Cb 0.96 -0.08 0.03 0.00 -1.06 0.00 0.00 38.32 38.18 1dcp h ASN 19 CO -0.30 0.36 -1.56 -0.07 -1.06 0.00 0.00 177.43 174.80 1dcp h LEU 20 N 0.31 0.79 -0.53 1.61 3.38 -0.46 -3.25 115.31 117.17 1dcp h LEU 20 Ca 0.07 -0.92 0.11 0.00 0.09 0.00 0.00 57.88 57.23 1dcp h LEU 20 Cb 0.23 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 1dcp h LEU 20 CO 0.01 1.74 -0.14 0.03 0.09 0.00 0.00 178.44 180.17 1dcp h ARG 21 N 0.14 -0.00 -0.31 1.13 3.08 -0.52 0.50 114.38 118.39 1dcp h ARG 21 Ca -0.28 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.86 1dcp h ARG 21 Cb 2.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.20 1dcp h ARG 21 CO 0.25 -0.00 0.43 0.00 -1.07 0.00 0.00 179.97 179.58 1dcp h ALA 22 N 1.52 1.93 -0.39 0.04 0.00 -1.39 0.17 119.26 121.15 1dcp h ALA 22 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1dcp h ALA 22 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1dcp h ALA 22 CO -0.55 -0.59 0.00 1.33 0.00 0.00 0.00 179.25 179.44 1dcp n VAL 23 N -3.49 0.50 0.00 0.00 0.24 0.17 -4.92 118.33 110.83 1dcp n VAL 23 Ca 0.05 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1dcp n VAL 23 Cb 0.58 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1dcp n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dcp n GLY 24 N 1.50 1.08 3.71 7.63 0.00 0.59 -5.07 105.19 114.63 1dcp n GLY 24 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 0.14 1.61 0.52 -0.69 -4.57 118.94 117.50 1dcp s TRP 25 Ca 0.00 1.15 0.10 0.00 0.02 0.00 0.00 56.10 57.36 1dcp s TRP 25 Cb 0.00 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 1dcp s TRP 25 CO 0.00 0.09 -0.20 -0.80 0.02 0.00 0.00 176.95 176.06 1dcp s ASN 26 N 0.78 3.75 0.81 2.95 0.01 -0.06 -3.76 114.94 119.42 1dcp s ASN 26 Ca 0.34 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.72 1dcp s ASN 26 Cb -0.17 -0.46 0.08 0.00 0.41 0.00 0.00 41.25 41.11 1dcp s ASN 26 CO 0.16 0.16 1.11 -1.61 -1.51 0.00 0.00 177.10 175.41 1dcp s GLU 27 N -2.33 2.00 -0.04 -0.60 2.02 -1.26 0.31 118.70 118.81 1dcp s GLU 27 Ca 0.19 0.48 0.06 0.00 0.02 0.00 0.00 54.97 55.72 1dcp s GLU 27 Cb -0.10 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 1dcp s GLU 27 CO 0.10 -1.64 -0.22 -1.17 0.02 0.00 0.00 175.26 172.35 1dcp s LEU 28 N -5.74 2.29 0.10 1.80 2.96 -0.75 -4.75 118.68 114.58 1dcp s LEU 28 Ca 0.61 -0.39 -0.31 0.00 -0.22 0.00 0.00 54.13 53.82 1dcp s LEU 28 Cb -0.14 -1.42 -0.11 0.00 0.50 0.00 0.00 46.19 45.02 1dcp s LEU 28 CO 0.53 0.31 1.85 -0.62 -1.32 0.00 0.00 176.35 177.10 1dcp n GLU 29 N 2.52 2.73 0.00 1.98 1.02 -1.26 -2.88 120.64 124.76 1dcp n GLU 29 Ca -0.17 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1dcp n GLU 29 Cb 0.52 -2.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 1dcp n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dcp n GLY 30 N 4.26 1.36 3.75 0.62 0.00 -1.26 -4.91 105.19 109.01 1dcp n GLY 30 Ca 0.19 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.76 -1.31 1.61 0.52 -1.14 -4.95 118.95 118.44 1dcp s ARG 31 Ca 0.00 1.62 -0.16 0.00 -0.52 0.00 0.00 55.73 56.67 1dcp s ARG 31 Cb 0.00 -3.25 0.09 0.00 0.52 0.00 0.00 34.95 32.31 1dcp s ARG 31 CO 0.00 0.37 1.79 -3.47 0.02 0.00 0.00 175.30 174.00 1dcp n ASP 32 N 1.50 4.80 -2.95 0.23 2.03 -1.26 -4.05 116.55 116.84 1dcp n ASP 32 Ca -0.01 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.25 1dcp n ASP 32 Cb 0.46 -1.68 -0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 3.32 0.07 0.09 -1.67 0.00 -1.26 -2.36 121.76 119.96 1dcp s ALA 33 Ca 0.50 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1dcp s ALA 33 Cb 0.05 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1dcp s ALA 33 CO 0.03 -0.89 -0.09 0.96 0.00 0.00 0.00 175.76 175.77 1dcp s ILE 34 N -2.48 0.85 0.12 0.00 -4.36 -0.63 -1.81 121.20 112.88 1dcp s ILE 34 Ca 0.23 -1.66 -0.07 0.00 -0.26 0.00 0.00 60.65 58.89 1dcp s ILE 34 Cb -0.03 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.30 1dcp s ILE 34 CO 0.17 -0.62 0.18 0.12 0.24 0.00 0.00 174.94 175.03 1dcp s PHE 35 N -2.64 0.36 -0.30 1.37 5.36 0.15 -0.30 117.98 121.98 1dcp s PHE 35 Ca 0.06 -0.77 -0.19 0.00 -0.96 0.00 0.00 56.93 55.07 1dcp s PHE 35 Cb -0.01 -0.14 0.19 0.00 -0.34 0.00 0.00 43.02 42.72 1dcp s PHE 35 CO -0.01 -0.59 1.25 0.21 -1.46 0.00 0.00 175.22 174.62 1dcp s LYS 36 N -3.93 0.12 -0.01 10.12 2.20 -0.70 -0.88 119.74 126.68 1dcp s LYS 36 Ca 0.12 0.19 -0.18 0.00 -0.36 0.00 0.00 55.97 55.74 1dcp s LYS 36 Cb 0.05 0.04 -0.06 0.00 -1.51 0.00 0.00 37.83 36.35 1dcp s LYS 36 CO -0.06 -0.02 0.51 -0.65 -0.36 0.00 0.00 175.35 174.77 1dcp s GLN 37 N 0.81 4.18 -0.06 4.03 -0.21 -1.26 -1.58 119.66 125.56 1dcp s GLN 37 Ca -0.04 0.59 0.03 0.00 0.02 0.00 0.00 55.36 55.95 1dcp s GLN 37 Cb -0.03 -3.30 0.01 0.00 1.00 0.00 0.00 33.01 30.69 1dcp s GLN 37 CO -0.12 0.49 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.35 1dcp s PHE 38 N -0.52 1.53 -0.02 0.91 0.08 0.13 -4.99 117.98 115.09 1dcp s PHE 38 Ca 0.27 -0.55 0.07 0.00 0.12 0.00 0.00 56.93 56.85 1dcp s PHE 38 Cb -0.17 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.16 1dcp s PHE 38 CO 0.15 -0.26 -0.24 -1.01 -0.10 0.00 0.00 175.22 173.76 1dcp s HIS 39 N 0.56 2.13 0.44 0.36 3.76 -1.26 0.44 115.29 121.71 1dcp s HIS 39 Ca -0.13 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1dcp s HIS 39 Cb -0.15 -1.37 -0.01 0.00 1.11 0.00 0.00 32.58 32.16 1dcp s HIS 39 CO 0.04 -0.05 0.09 1.19 -0.85 0.00 0.00 174.74 175.16 1dcp n PHE 40 N 2.54 0.53 -0.11 1.40 3.01 -0.32 -5.02 117.46 119.49 1dcp n PHE 40 Ca -0.16 -2.52 -0.13 0.00 1.01 0.00 0.00 57.45 55.66 1dcp n PHE 40 Cb 0.52 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1dcp n PHE 40 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1dcp h LYS 41 N 0.00 0.73 0.00 -1.08 1.57 -1.87 -3.46 116.57 112.46 1dcp h LYS 41 Ca -0.35 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 57.97 1dcp h LYS 41 Cb 1.21 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1dcp h LYS 41 CO 0.57 0.97 -0.02 -0.40 -0.57 0.00 0.00 179.45 180.00 1dcp n ASP 42 N -4.28 -0.80 -0.05 0.86 5.68 -1.26 -4.92 116.55 111.78 1dcp n ASP 42 Ca -0.03 -1.90 -0.13 0.00 -0.50 0.00 0.00 54.79 52.23 1dcp n ASP 42 Cb 0.44 1.44 -0.07 0.00 -1.14 0.00 0.00 41.12 41.78 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 1.50 0.38 -0.68 2.11 3.57 -1.93 -1.97 116.94 119.91 1dcp h PHE 43 Ca -0.14 -0.11 0.14 0.00 3.53 0.00 0.00 57.97 61.38 1dcp h PHE 43 Cb 0.60 -0.08 -0.13 0.00 2.79 0.00 0.00 35.95 39.13 1dcp h PHE 43 CO 0.00 0.71 -0.19 -0.97 -2.23 0.00 0.00 178.31 175.63 1dcp h ASN 44 N -0.06 -0.68 -0.50 0.41 -0.73 -1.97 0.61 115.58 112.65 1dcp h ASN 44 Ca 0.02 0.21 -0.07 0.00 1.87 0.00 0.00 56.30 58.34 1dcp h ASN 44 Cb 0.64 0.44 -0.02 0.00 0.27 0.00 0.00 38.32 39.65 1dcp h ASN 44 CO 0.03 -0.23 0.06 -0.09 -0.37 0.00 0.00 177.43 176.82 1dcp h ARG 45 N -0.01 0.85 -0.46 6.67 2.43 -1.96 -0.26 114.38 121.63 1dcp h ARG 45 Ca 0.32 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1dcp h ARG 45 Cb 0.51 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1dcp h ARG 45 CO -0.71 0.85 -0.07 0.00 -1.51 0.00 0.00 179.97 178.53 1dcp h ALA 46 N 0.96 0.63 -0.59 2.80 0.00 -0.14 -1.16 119.26 121.75 1dcp h ALA 46 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1dcp h ALA 46 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1dcp h ALA 46 CO 0.01 0.49 -0.04 0.35 0.00 0.00 0.00 179.25 180.07 1dcp h PHE 47 N 0.70 1.18 -0.52 0.00 3.57 0.18 0.76 116.94 122.81 1dcp h PHE 47 Ca 0.12 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1dcp h PHE 47 Cb 0.60 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1dcp h PHE 47 CO 0.05 1.05 0.28 0.78 -2.23 0.00 0.00 178.31 178.23 1dcp h GLY 48 N 0.97 0.73 0.38 2.40 0.00 -0.78 0.18 103.07 106.95 1dcp h GLY 48 Ca 0.16 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.33 1dcp h GLY 48 CO 0.04 0.14 -0.28 -2.75 0.00 0.00 0.00 176.54 173.69 1dcp h PHE 49 N 0.54 -0.75 -0.87 5.60 3.57 -0.82 -0.28 116.94 123.94 1dcp h PHE 49 Ca 0.22 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.84 1dcp h PHE 49 Cb 0.11 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 1dcp h PHE 49 CO -0.09 -0.37 0.52 0.52 -2.23 0.00 0.00 178.31 176.66 1dcp h MET 50 N -0.42 0.86 -0.63 1.11 2.86 -0.08 -1.63 114.93 117.01 1dcp h MET 50 Ca 0.06 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1dcp h MET 50 Cb 0.51 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1dcp h MET 50 CO -0.24 0.57 0.42 1.15 1.06 0.00 0.00 176.91 179.87 1dcp h THR 51 N 0.89 1.15 -0.29 2.22 2.02 0.51 0.70 112.91 120.12 1dcp h THR 51 Ca 0.41 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 1dcp h THR 51 Cb 0.33 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1dcp h THR 51 CO -0.23 0.15 -0.22 0.03 0.37 0.00 0.00 175.52 175.63 1dcp h ARG 52 N 0.85 0.54 -0.23 6.66 3.08 -0.42 -1.69 114.38 123.16 1dcp h ARG 52 Ca 0.23 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 1dcp h ARG 52 Cb -0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1dcp h ARG 52 CO -0.06 0.73 -0.50 0.28 -1.07 0.00 0.00 179.97 179.35 1dcp h VAL 53 N 0.48 1.30 -0.37 2.04 2.07 -0.80 -2.55 116.25 118.43 1dcp h VAL 53 Ca 0.07 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 1dcp h VAL 53 Cb 0.65 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1dcp h VAL 53 CO 0.05 0.54 0.23 0.00 0.02 0.00 0.00 177.57 178.40 1dcp h ALA 54 N 0.94 0.47 -0.54 1.67 0.00 0.73 0.57 119.26 123.11 1dcp h ALA 54 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1dcp h ALA 54 Cb 1.05 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1dcp h ALA 54 CO 0.10 -0.03 -0.08 -0.07 0.00 0.00 0.00 179.25 179.17 1dcp h LEU 55 N 0.49 -0.39 -0.48 0.00 3.38 -1.13 -0.56 115.31 116.62 1dcp h LEU 55 Ca 0.13 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1dcp h LEU 55 Cb -0.00 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1dcp h LEU 55 CO -0.03 -0.14 0.32 1.56 0.09 0.00 0.00 178.44 180.24 1dcp h GLN 56 N 0.04 0.63 -0.60 1.13 1.08 -1.14 -2.15 115.11 114.12 1dcp h GLN 56 Ca 0.27 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.54 1dcp h GLN 56 Cb 0.41 -0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 27.61 1dcp h GLN 56 CO -0.51 0.42 0.07 0.00 -0.95 0.00 0.00 178.83 177.86 1dcp h ALA 57 N 1.18 0.65 -0.04 3.87 0.00 0.62 0.20 119.26 125.73 1dcp h ALA 57 Ca 0.18 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1dcp h ALA 57 Cb -0.07 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1dcp h ALA 57 CO -0.04 -0.35 -0.03 0.93 0.00 0.00 0.00 179.25 179.76 1dcp h GLU 58 N 0.19 0.10 -0.86 0.00 4.39 -1.17 1.03 114.58 118.25 1dcp h GLU 58 Ca 0.31 -0.05 0.23 0.00 0.34 0.00 0.00 59.36 60.19 1dcp h GLU 58 Cb 0.49 -0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.99 1dcp h GLU 58 CO -0.45 0.52 0.19 -0.22 -1.16 0.00 0.00 179.01 177.89 1dcp h LYS 59 N -0.32 0.18 0.00 2.33 3.64 -0.63 0.75 116.57 122.52 1dcp h LYS 59 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dcp h LYS 59 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1dcp h LYS 59 CO 0.01 0.12 -1.19 1.28 -2.27 0.00 0.00 179.45 177.40 1dcp n LEU 60 N -5.26 0.63 -3.37 5.20 4.77 0.60 -4.99 117.00 114.58 1dcp n LEU 60 Ca 0.20 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 1dcp n LEU 60 Cb 0.66 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.76 1dcp n LEU 60 CO 0.05 -0.10 0.05 -0.67 -1.33 0.00 0.00 177.39 175.39 1dcp n ASP 61 N -2.43 -4.57 -3.69 -1.43 2.03 0.34 -5.01 116.55 101.80 1dcp n ASP 61 Ca -0.00 -0.70 -0.11 0.00 0.52 0.00 0.00 54.79 54.50 1dcp n ASP 61 Cb 0.53 -5.01 -0.11 0.00 -0.72 0.00 0.00 41.12 35.80 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 -3.40 -0.55 -0.01 -0.67 2.46 -0.56 -5.03 115.29 107.54 1dcp s HIS 62 Ca 0.27 1.18 0.06 0.00 0.47 0.00 0.00 55.06 57.03 1dcp s HIS 62 Cb -0.04 0.20 -0.02 0.00 -0.13 0.00 0.00 32.58 32.59 1dcp s HIS 62 CO 0.75 -0.34 -0.18 -1.01 -2.47 0.00 0.00 174.74 171.49 1dcp s HIS 63 N 1.64 1.60 0.72 3.88 3.76 -1.26 -4.36 115.29 121.27 1dcp s HIS 63 Ca -0.07 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.41 1dcp s HIS 63 Cb -0.10 -1.02 0.03 0.00 1.11 0.00 0.00 32.58 32.60 1dcp s HIS 63 CO -0.11 -0.01 1.11 -1.25 -0.85 0.00 0.00 174.74 173.62 1dcp s PRO 64 N -0.52 2.70 -0.30 8.40 0.04 -1.26 -4.88 135.00 139.18 1dcp s PRO 64 Ca 0.07 0.40 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 1dcp s PRO 64 Cb -0.07 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1dcp s PRO 64 CO -0.00 -1.14 0.13 -1.21 0.04 0.00 0.00 177.00 174.82 1dcp s GLU 65 N -5.39 3.36 0.11 4.56 2.02 -0.42 -4.97 118.70 117.96 1dcp s GLU 65 Ca 0.59 -0.70 0.05 0.00 0.02 0.00 0.00 54.97 54.93 1dcp s GLU 65 Cb -0.11 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1dcp s GLU 65 CO 0.51 -0.39 -0.12 1.67 0.02 0.00 0.00 175.26 176.96 1dcp s TRP 66 N 1.60 1.19 -0.02 1.61 -2.14 -1.26 -0.79 118.94 119.13 1dcp s TRP 66 Ca 0.05 -0.61 0.03 0.00 2.66 0.00 0.00 56.10 58.22 1dcp s TRP 66 Cb -0.17 -0.64 0.00 0.00 -3.10 0.00 0.00 33.47 29.56 1dcp s TRP 66 CO 0.06 0.06 -0.09 0.12 -2.66 0.00 0.00 176.95 174.43 1dcp s PHE 67 N -2.29 0.93 -0.02 1.66 5.36 -0.55 -4.98 117.98 118.09 1dcp s PHE 67 Ca 0.06 -0.22 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 1dcp s PHE 67 Cb -0.04 -0.65 -0.00 0.00 -0.34 0.00 0.00 43.02 41.99 1dcp s PHE 67 CO 0.01 -0.08 -0.11 1.21 -1.46 0.00 0.00 175.22 174.79 1dcp s ASN 68 N 0.11 1.32 -0.14 6.13 3.84 -1.26 -1.16 114.94 123.78 1dcp s ASN 68 Ca -0.02 -0.20 -0.04 0.00 0.21 0.00 0.00 52.86 52.81 1dcp s ASN 68 Cb -0.08 -0.22 0.05 0.00 -0.55 0.00 0.00 41.25 40.46 1dcp s ASN 68 CO 0.00 0.12 0.08 -0.69 -2.79 0.00 0.00 177.10 173.82 1dcp s VAL 69 N -0.11 -0.02 0.00 -5.21 1.01 -0.42 -4.95 120.40 110.70 1dcp s VAL 69 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1dcp s VAL 69 Cb -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1dcp s VAL 69 CO -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 175.10 174.94 1dcp n TYR 70 N 5.26 0.00 -0.63 5.22 9.36 -1.26 -0.51 117.16 134.60 1dcp n TYR 70 Ca -0.06 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.25 1dcp n TYR 70 Cb 0.49 0.00 0.35 0.00 -0.63 0.00 0.00 39.34 39.55 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 8.65 4.72 -4.51 2.98 6.94 -1.26 -4.27 115.26 128.50 1dcp n ASN 71 Ca 0.00 -2.45 -0.33 0.00 -0.02 0.00 0.00 54.58 51.77 1dcp n ASN 71 Cb 0.00 -0.57 -0.12 0.00 -2.36 0.00 0.00 39.78 36.73 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 -1.85 2.86 -0.08 -3.83 1.02 0.33 -1.17 119.74 117.02 1dcp s LYS 72 Ca 0.51 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1dcp s LYS 72 Cb 0.33 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1dcp s LYS 72 CO 0.24 0.54 -0.01 0.08 -0.92 0.00 0.00 175.35 175.29 1dcp s VAL 73 N -0.50 0.47 -0.11 3.17 1.01 0.17 -1.30 120.40 123.31 1dcp s VAL 73 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1dcp s VAL 73 Cb -0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1dcp s VAL 73 CO 0.02 0.25 -0.06 -1.00 0.00 0.00 0.00 175.10 174.31 1dcp s HIS 74 N 1.93 2.97 0.02 5.22 3.76 -0.30 0.20 115.29 129.09 1dcp s HIS 74 Ca 0.05 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1dcp s HIS 74 Cb -0.13 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1dcp s HIS 74 CO -0.06 0.12 -0.05 0.42 -0.85 0.00 0.00 174.74 174.32 1dcp s ILE 75 N -0.19 0.37 0.02 0.60 1.01 -0.61 -1.48 121.20 120.91 1dcp s ILE 75 Ca 0.03 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1dcp s ILE 75 Cb -0.13 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1dcp s ILE 75 CO 0.03 -0.22 -0.12 -0.89 0.00 0.00 0.00 174.94 173.73 1dcp s THR 76 N -0.89 0.97 -0.02 2.92 2.01 0.03 -1.72 115.64 118.94 1dcp s THR 76 Ca -0.07 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1dcp s THR 76 Cb -0.07 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1dcp s THR 76 CO -0.00 0.09 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.18 1dcp s LEU 77 N -0.78 1.78 0.22 4.42 1.43 0.59 -1.30 118.68 125.04 1dcp s LEU 77 Ca 0.02 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1dcp s LEU 77 Cb -0.06 -0.46 0.04 0.00 0.03 0.00 0.00 46.19 45.74 1dcp s LEU 77 CO 0.00 0.05 0.63 -0.55 0.23 0.00 0.00 176.35 176.71 1dcp s SER 78 N 0.20 -0.37 -0.14 2.29 0.15 -1.26 -1.60 113.70 112.97 1dcp s SER 78 Ca -0.03 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 1dcp s SER 78 Cb -0.08 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1dcp s SER 78 CO 0.00 -1.14 -0.09 -0.89 1.20 0.00 0.00 173.24 172.32 1dcp s THR 79 N -3.85 3.42 -0.01 6.45 2.01 0.51 -4.94 115.64 119.24 1dcp s THR 79 Ca 0.07 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 1dcp s THR 79 Cb -0.03 -2.47 -0.20 0.00 0.01 0.00 0.00 72.50 69.81 1dcp s THR 79 CO -0.02 0.51 1.16 0.45 -0.69 0.00 0.00 174.62 176.03 1dcp h HIS 80 N 6.75 0.35 -0.99 4.92 3.86 -1.92 0.11 115.15 128.23 1dcp h HIS 80 Ca -0.29 -0.15 0.11 0.00 -1.16 0.00 0.00 60.37 58.89 1dcp h HIS 80 Cb 1.20 -0.06 -0.14 0.00 1.06 0.00 0.00 27.41 29.48 1dcp h HIS 80 CO 0.52 0.88 -0.50 0.39 0.86 0.00 0.00 177.93 180.07 1dcp n GLU 81 N -4.50 -0.35 0.04 2.45 1.02 -1.26 -1.72 120.64 116.32 1dcp n GLU 81 Ca -0.08 1.50 0.12 0.00 -0.02 0.00 0.00 57.16 58.67 1dcp n GLU 81 Cb 0.46 -2.22 0.09 0.00 -0.02 0.00 0.00 31.44 29.75 1dcp n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dcp n ALA 83 N -1.84 0.00 -3.00 0.00 0.00 0.34 -4.97 120.51 111.05 1dcp n ALA 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1dcp n ALA 83 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.16 4.42 3.76 0.00 0.00 -1.04 -4.57 105.19 105.61 1dcp n GLY 84 Ca 0.00 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 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 3.49 0.19 0.99 1.43 -1.00 -0.36 118.68 123.42 1dcp s LEU 85 Ca 0.00 2.14 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 1dcp s LEU 85 Cb 0.00 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.66 1dcp s LEU 85 CO 0.00 -1.64 0.42 -0.94 0.23 0.00 0.00 176.35 174.43 1dcp s SER 86 N -2.21 -0.11 0.25 2.29 1.04 -1.26 -1.83 113.70 111.87 1dcp s SER 86 Ca 0.70 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1dcp s SER 86 Cb -0.24 0.53 0.48 0.00 0.10 0.00 0.00 66.02 66.89 1dcp s SER 86 CO 0.38 -1.01 1.65 1.05 0.98 0.00 0.00 173.24 176.29 1dcp h GLU 87 N 2.34 0.16 -0.74 4.02 4.11 -1.96 0.32 114.58 122.83 1dcp h GLU 87 Ca -0.29 -0.01 0.15 0.00 0.07 0.00 0.00 59.36 59.28 1dcp h GLU 87 Cb 1.25 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 1dcp h GLU 87 CO 0.41 0.10 0.23 0.07 0.07 0.00 0.00 179.01 179.89 1dcp h ARG 88 N 0.16 0.32 -0.44 1.06 -0.00 -1.97 1.42 114.38 114.94 1dcp h ARG 88 Ca 0.43 -0.02 0.09 0.00 -0.00 0.00 0.00 59.98 60.48 1dcp h ARG 88 Cb 0.78 -0.07 -0.09 0.00 -0.00 0.00 0.00 29.97 30.59 1dcp h ARG 88 CO -0.62 0.21 -0.13 -0.44 -0.00 0.00 0.00 179.97 178.99 1dcp h ASP 89 N 0.33 -0.47 -0.13 0.08 3.32 -0.73 0.32 116.42 119.14 1dcp h ASP 89 Ca 0.41 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.64 1dcp h ASP 89 Cb 0.68 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1dcp h ASP 89 CO -0.47 -0.17 -0.09 0.40 -1.72 0.00 0.00 179.24 177.19 1dcp h ILE 90 N -0.03 0.72 -0.64 0.35 1.08 0.22 -0.52 117.51 118.70 1dcp h ILE 90 Ca 0.21 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.63 1dcp h ILE 90 Cb 0.35 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1dcp h ILE 90 CO -0.47 0.00 0.20 0.78 -0.69 0.00 0.00 178.15 177.98 1dcp h ASN 91 N -0.10 0.90 -0.60 1.72 -0.26 0.93 -0.95 115.58 117.22 1dcp h ASN 91 Ca 0.08 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.57 1dcp h ASN 91 Cb 0.22 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1dcp h ASN 91 CO -0.19 0.84 -0.01 0.25 -1.06 0.00 0.00 177.43 177.25 1dcp h LEU 92 N 0.94 1.04 -0.81 1.61 5.85 -0.02 -1.11 115.31 122.82 1dcp h LEU 92 Ca 0.21 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1dcp h LEU 92 Cb 0.26 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1dcp h LEU 92 CO -0.01 1.10 0.27 0.00 -0.34 0.00 0.00 178.44 179.46 1dcp h ALA 93 N 0.98 1.04 -0.74 1.25 0.00 -0.77 1.16 119.26 122.18 1dcp h ALA 93 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1dcp h ALA 93 Cb 0.58 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1dcp h ALA 93 CO 0.03 0.66 0.34 0.77 0.00 0.00 0.00 179.25 181.06 1dcp h SER 94 N 1.12 0.96 0.34 0.00 0.02 -0.95 0.52 113.55 115.56 1dcp h SER 94 Ca 0.25 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1dcp h SER 94 Cb 0.26 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1dcp h SER 94 CO -0.01 0.82 -0.17 0.15 -1.14 0.00 0.00 176.83 176.48 1dcp h PHE 95 N 1.05 -0.43 -1.03 3.45 3.57 -0.17 -1.94 116.94 121.45 1dcp h PHE 95 Ca 0.25 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 62.08 1dcp h PHE 95 Cb 0.13 0.14 -0.15 0.00 2.79 0.00 0.00 35.95 38.86 1dcp h PHE 95 CO 0.01 -0.09 0.60 0.82 -2.23 0.00 0.00 178.31 177.42 1dcp h ILE 96 N -0.84 0.29 -0.24 1.41 2.04 0.17 0.27 117.51 120.60 1dcp h ILE 96 Ca -0.05 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1dcp h ILE 96 Cb 0.53 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1dcp h ILE 96 CO 0.08 0.05 -0.03 -0.33 0.00 0.00 0.00 178.15 177.93 1dcp h GLU 97 N 0.30 0.44 -0.88 2.37 4.39 -0.44 0.20 114.58 120.97 1dcp h GLU 97 Ca 0.74 -0.15 0.16 0.00 0.34 0.00 0.00 59.36 60.44 1dcp h GLU 97 Cb 1.77 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 30.28 1dcp h GLU 97 CO -0.58 0.64 0.46 0.37 -1.16 0.00 0.00 179.01 178.75 1dcp h GLN 98 N 0.20 0.61 0.07 2.33 4.15 -0.23 -2.33 115.11 119.92 1dcp h GLN 98 Ca 0.07 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1dcp h GLN 98 Cb 0.46 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1dcp h GLN 98 CO 0.02 0.40 -0.03 0.28 -1.93 0.00 0.00 178.83 177.57 1dcp h VAL 99 N 0.63 1.21 -0.76 2.39 2.07 -0.84 -3.30 116.25 117.64 1dcp h VAL 99 Ca 0.49 -1.42 0.13 0.00 0.82 0.00 0.00 66.70 66.72 1dcp h VAL 99 Cb 0.72 2.07 -0.14 0.00 -1.52 0.00 0.00 31.29 32.42 1dcp h VAL 99 CO -0.38 0.33 -0.31 0.00 0.02 0.00 0.00 177.57 177.23 1dcp h ALA 100 N -0.01 0.17 -0.94 1.67 0.00 -0.09 0.66 119.26 120.72 1dcp h ALA 100 Ca -0.01 0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.35 1dcp h ALA 100 Cb 0.61 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 1dcp h ALA 100 CO 0.02 -0.59 0.62 0.28 0.00 0.00 0.00 179.25 179.57 1dcp h VAL 101 N -0.07 0.66 0.35 0.00 2.07 -1.57 -2.64 116.25 115.05 1dcp h VAL 101 Ca 0.31 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1dcp h VAL 101 Cb 0.58 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1dcp h VAL 101 CO -0.81 0.08 -0.17 0.77 0.02 0.00 0.00 177.57 177.47 1dcp h SER 102 N 0.46 -0.40 -2.41 0.57 4.64 -0.93 -3.43 113.55 112.04 1dcp h SER 102 Ca 0.51 -0.11 -0.53 0.00 -0.47 0.00 0.00 61.79 61.19 1dcp h SER 102 Cb 1.19 0.10 0.02 0.00 -0.31 0.00 0.00 62.40 63.41 1dcp h SER 102 CO -0.22 -0.12 1.20 -0.04 -0.87 0.00 0.00 176.83 176.79 1dcp s MET 103 N -5.20 4.14 0.00 4.77 -1.94 -1.00 -5.15 119.30 114.93 1dcp s MET 103 Ca -0.15 2.58 0.02 0.00 -1.71 0.00 0.00 55.69 56.44 1dcp s MET 103 Cb 0.03 -4.06 0.02 0.00 2.01 0.00 0.00 34.83 32.83 1dcp s MET 103 CO 0.58 -0.93 0.57 0.25 -0.01 0.00 0.00 175.02 175.48