#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dco n ARG 7 N 0.00 1.17 -1.52 -1.40 0.63 -1.26 -4.42 116.66 109.85 1dco n ARG 7 Ca 0.00 0.43 -0.42 0.00 -0.92 0.00 0.00 57.85 56.94 1dco n ARG 7 Cb 0.00 -2.11 0.01 0.00 0.45 0.00 0.00 32.46 30.81 1dco n ARG 7 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1dco n LEU 8 N 4.98 1.15 -4.96 6.15 4.77 -0.52 -4.98 117.00 123.59 1dco n LEU 8 Ca 0.25 0.97 -0.26 0.00 -0.03 0.00 0.00 56.01 56.93 1dco n LEU 8 Cb 0.14 -1.22 0.14 0.00 -2.33 0.00 0.00 43.42 40.15 1dco n LEU 8 CO 0.78 -2.27 0.70 -0.94 -1.33 0.00 0.00 177.39 174.33 1dco s SER 9 N -0.87 3.83 0.44 -1.43 1.04 -1.26 -4.81 113.70 110.62 1dco s SER 9 Ca 0.64 -0.04 0.24 0.00 0.48 0.00 0.00 55.95 57.27 1dco s SER 9 Cb -0.59 -0.20 0.76 0.00 0.10 0.00 0.00 66.02 66.08 1dco s SER 9 CO 0.57 -2.24 1.75 0.00 0.98 0.00 0.00 173.24 174.31 1dco h ALA 10 N -1.03 0.95 -0.37 5.32 0.00 -1.98 0.88 119.26 123.04 1dco h ALA 10 Ca -0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1dco h ALA 10 Cb 1.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1dco h ALA 10 CO 0.40 0.23 -0.09 0.93 0.00 0.00 0.00 179.25 180.73 1dco h GLU 11 N 0.00 0.71 -0.07 0.00 5.08 -1.98 -1.23 114.58 117.08 1dco h GLU 11 Ca -0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1dco h GLU 11 Cb 0.86 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1dco h GLU 11 CO 0.02 0.86 0.01 0.93 -1.00 0.00 0.00 179.01 179.84 1dco h GLU 12 N 0.51 0.12 -0.93 2.33 5.08 -1.86 -1.42 114.58 118.41 1dco h GLU 12 Ca 0.09 -0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.62 1dco h GLU 12 Cb 0.60 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1dco h GLU 12 CO 0.04 0.34 0.60 0.00 -1.00 0.00 0.00 179.01 178.99 1dco h ARG 13 N -0.11 0.47 0.00 2.33 3.08 -0.76 0.34 114.38 119.72 1dco h ARG 13 Ca 0.02 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1dco h ARG 13 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1dco h ARG 13 CO 0.00 0.31 -0.62 0.22 -1.07 0.00 0.00 179.97 178.81 1dco h ASP 14 N 0.49 0.00 0.03 7.04 3.58 -0.64 -2.30 116.42 124.61 1dco h ASP 14 Ca 0.49 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.94 1dco h ASP 14 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1dco h ASP 14 CO -0.22 0.62 -0.01 1.56 -2.88 0.00 0.00 179.24 178.31 1dco h GLN 15 N 0.00 -0.03 -0.01 0.28 4.20 0.65 -3.40 115.11 116.80 1dco h GLN 15 Ca -0.01 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1dco h GLN 15 Cb 1.29 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1dco h GLN 15 CO 0.08 0.36 -0.86 -0.07 -0.67 0.00 0.00 178.83 177.67 1dco h LEU 16 N -0.99 0.32 -0.13 1.46 3.38 -1.20 -3.39 115.31 114.76 1dco h LEU 16 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1dco h LEU 16 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1dco h LEU 16 CO 0.01 1.04 0.09 -0.07 0.09 0.00 0.00 178.44 179.59 1dco h LEU 17 N 0.15 0.15 -0.81 1.67 3.38 -1.59 -3.36 115.31 114.90 1dco h LEU 17 Ca -0.05 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.03 1dco h LEU 17 Cb 1.48 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 42.06 1dco h LEU 17 CO 0.14 0.12 -0.43 -0.65 0.09 0.00 0.00 178.44 177.71 1dco h PRO 18 N 0.17 -0.09 -0.62 1.13 0.11 -1.78 0.22 132.00 131.14 1dco h PRO 18 Ca 0.05 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.29 1dco h PRO 18 Cb -0.01 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 31.03 1dco h PRO 18 CO -0.01 -0.06 0.07 -0.91 -0.21 0.00 0.00 178.00 176.88 1dco h ASN 19 N -0.09 -0.13 -0.22 -2.05 2.35 -1.86 0.82 115.58 114.39 1dco h ASN 19 Ca 0.25 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 56.02 1dco h ASN 19 Cb 0.55 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1dco h ASN 19 CO -0.85 -0.06 -0.24 -0.07 -1.65 0.00 0.00 177.43 174.57 1dco h LEU 20 N 0.19 0.70 -0.33 1.61 3.38 -1.53 -2.46 115.31 116.87 1dco h LEU 20 Ca 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1dco h LEU 20 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1dco h LEU 20 CO -0.47 0.92 0.18 0.03 0.09 0.00 0.00 178.44 179.19 1dco h ARG 21 N 0.60 0.46 -0.91 1.13 -0.00 0.16 0.17 114.38 116.00 1dco h ARG 21 Ca 0.08 -0.06 0.06 0.00 -0.50 0.00 0.00 59.98 59.56 1dco h ARG 21 Cb 0.73 -0.09 -0.06 0.00 0.00 0.00 0.00 29.97 30.55 1dco h ARG 21 CO 0.06 0.39 0.57 0.00 0.00 0.00 0.00 179.97 181.00 1dco h ALA 22 N 1.04 1.24 0.00 0.04 0.00 0.78 -2.66 119.26 119.70 1dco h ALA 22 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1dco h ALA 22 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1dco h ALA 22 CO -0.02 0.35 -0.27 0.28 0.00 0.00 0.00 179.25 179.60 1dco h VAL 23 N 1.06 0.77 0.00 0.00 2.07 -1.22 -3.46 116.25 115.46 1dco h VAL 23 Ca 0.39 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1dco h VAL 23 Cb 0.14 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1dco h VAL 23 CO -0.16 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1dco n GLY 24 N -0.14 0.35 3.78 2.17 0.00 -0.97 -5.10 105.19 105.29 1dco n GLY 24 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1dco n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dco s TRP 25 N -0.62 2.74 -0.29 1.61 0.52 0.56 -4.73 118.94 118.73 1dco s TRP 25 Ca 0.00 1.54 -0.16 0.00 0.02 0.00 0.00 56.10 57.50 1dco s TRP 25 Cb 0.00 -3.14 0.14 0.00 -1.15 0.00 0.00 33.47 29.32 1dco s TRP 25 CO 0.00 -1.48 0.93 1.21 0.02 0.00 0.00 176.95 177.62 1dco s ASN 26 N -2.48 -0.61 0.37 2.95 3.04 -1.00 -4.21 114.94 113.01 1dco s ASN 26 Ca 0.67 0.94 -0.26 0.00 0.04 0.00 0.00 52.86 54.24 1dco s ASN 26 Cb -0.20 1.35 -0.12 0.00 -1.54 0.00 0.00 41.25 40.75 1dco s ASN 26 CO 0.37 -0.14 1.12 -0.62 -3.04 0.00 0.00 177.10 174.79 1dco n GLU 27 N 4.07 1.65 -3.04 0.43 1.02 -1.26 -1.94 120.64 121.57 1dco n GLU 27 Ca -0.17 0.58 -0.34 0.00 -0.02 0.00 0.00 57.16 57.22 1dco n GLU 27 Cb 0.57 -2.13 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 1dco n GLU 27 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dco s LEU 28 N -0.64 4.12 -0.06 -4.62 2.01 -0.40 -4.88 118.68 114.20 1dco s LEU 28 Ca 0.60 1.44 -0.26 0.00 0.01 0.00 0.00 54.13 55.91 1dco s LEU 28 Cb -0.58 -4.07 -0.23 0.00 0.01 0.00 0.00 46.19 41.32 1dco s LEU 28 CO 0.59 -0.18 1.05 -0.08 1.01 0.00 0.00 176.35 178.74 1dco h GLU 29 N 2.49 0.08 -0.12 1.70 4.81 -1.94 -3.23 114.58 118.36 1dco h GLU 29 Ca -0.48 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1dco h GLU 29 Cb 1.18 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1dco h GLU 29 CO 0.64 0.79 0.00 0.41 -0.73 0.00 0.00 179.01 180.13 1dco n GLY 30 N 0.90 -0.39 3.71 1.92 0.00 -1.26 -4.91 105.19 105.15 1dco n GLY 30 Ca -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 1dco n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dco s ARG 31 N -1.84 1.16 -1.11 1.61 1.70 -1.22 -5.09 118.95 114.16 1dco s ARG 31 Ca 0.13 -0.61 -0.17 0.00 -0.47 0.00 0.00 55.73 54.61 1dco s ARG 31 Cb 0.07 0.42 0.13 0.00 -0.57 0.00 0.00 34.95 34.99 1dco s ARG 31 CO 0.09 -0.53 1.39 0.34 -1.08 0.00 0.00 175.30 175.51 1dco s ASP 32 N -2.86 6.82 0.18 -2.89 2.15 -1.26 -3.82 116.67 114.99 1dco s ASP 32 Ca 0.11 -2.41 -0.23 0.00 0.43 0.00 0.00 52.55 50.45 1dco s ASP 32 Cb -0.01 -2.45 0.06 0.00 -0.30 0.00 0.00 42.92 40.21 1dco s ASP 32 CO 0.00 -1.01 0.70 0.00 -0.17 0.00 0.00 175.17 174.69 1dco s ALA 33 N 2.79 -1.51 0.03 3.66 0.00 -1.26 -2.97 121.76 122.50 1dco s ALA 33 Ca 0.42 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1dco s ALA 33 Cb -0.02 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1dco s ALA 33 CO -0.03 -0.87 -0.01 0.96 0.00 0.00 0.00 175.76 175.81 1dco s ILE 34 N -3.69 4.03 0.16 0.00 -4.36 0.12 -1.27 121.20 116.19 1dco s ILE 34 Ca 0.06 -0.77 0.08 0.00 -0.26 0.00 0.00 60.65 59.76 1dco s ILE 34 Cb -0.03 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 1dco s ILE 34 CO -0.05 0.28 -0.18 0.12 0.24 0.00 0.00 174.94 175.36 1dco s PHE 35 N -1.16 1.81 -0.30 1.37 5.36 -0.82 -0.43 117.98 123.82 1dco s PHE 35 Ca 0.21 -0.47 -0.18 0.00 -0.96 0.00 0.00 56.93 55.54 1dco s PHE 35 Cb -0.12 -0.91 0.19 0.00 -0.34 0.00 0.00 43.02 41.85 1dco s PHE 35 CO 0.13 0.32 1.19 0.21 -1.46 0.00 0.00 175.22 175.60 1dco s LYS 36 N -2.76 0.13 -0.24 10.12 2.20 -0.81 -2.37 119.74 126.01 1dco s LYS 36 Ca 0.15 0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.95 1dco s LYS 36 Cb -0.06 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.37 1dco s LYS 36 CO 0.06 -0.04 0.16 1.14 -0.36 0.00 0.00 175.35 176.31 1dco s GLN 37 N 2.01 4.07 -0.01 4.03 1.03 -1.26 -1.44 119.66 128.09 1dco s GLN 37 Ca -0.02 -0.27 0.02 0.00 0.04 0.00 0.00 55.36 55.12 1dco s GLN 37 Cb -0.03 -3.53 -0.04 0.00 0.03 0.00 0.00 33.01 29.45 1dco s GLN 37 CO -0.16 0.06 -0.01 -0.06 -2.54 0.00 0.00 175.29 172.58 1dco s PHE 38 N 1.05 3.04 -0.04 9.60 0.40 0.66 -4.99 117.98 127.70 1dco s PHE 38 Ca 0.07 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 1dco s PHE 38 Cb -0.13 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1dco s PHE 38 CO 0.04 0.44 -0.08 -1.58 0.70 0.00 0.00 175.22 174.75 1dco s HIS 39 N -1.05 0.93 0.29 0.36 2.46 -1.26 -1.07 115.29 115.96 1dco s HIS 39 Ca 0.18 -0.26 0.03 0.00 0.47 0.00 0.00 55.06 55.48 1dco s HIS 39 Cb -0.11 -0.72 -0.06 0.00 -0.13 0.00 0.00 32.58 31.56 1dco s HIS 39 CO 0.09 -0.16 0.06 -0.06 -2.47 0.00 0.00 174.74 172.20 1dco s PHE 40 N 0.52 1.79 0.16 3.88 0.40 0.07 -5.02 117.98 119.77 1dco s PHE 40 Ca -0.08 -1.01 -0.16 0.00 -0.60 0.00 0.00 56.93 55.08 1dco s PHE 40 Cb -0.12 -1.12 0.07 0.00 0.51 0.00 0.00 43.02 42.36 1dco s PHE 40 CO 0.01 -0.09 1.74 -0.22 0.70 0.00 0.00 175.22 177.36 1dco h LYS 41 N 2.24 0.24 0.00 0.44 1.63 -1.88 -3.43 116.57 115.80 1dco h LYS 41 Ca -0.40 -0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.24 1dco h LYS 41 Cb 1.24 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.78 1dco h LYS 41 CO 0.66 0.16 -0.05 -0.40 -3.45 0.00 0.00 179.45 176.37 1dco n ASP 42 N -5.05 -0.89 -0.08 4.20 5.68 -1.26 -4.87 116.55 114.27 1dco n ASP 42 Ca 0.01 -2.11 -0.13 0.00 -0.50 0.00 0.00 54.79 52.06 1dco n ASP 42 Cb 0.14 1.63 -0.05 0.00 -1.14 0.00 0.00 41.12 41.70 1dco n ASP 42 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1dco h PHE 43 N 1.61 0.68 -0.90 2.11 3.57 -1.91 -2.47 116.94 119.63 1dco h PHE 43 Ca -0.17 -0.20 0.21 0.00 3.53 0.00 0.00 57.97 61.34 1dco h PHE 43 Cb 0.72 -0.15 -0.17 0.00 2.79 0.00 0.00 35.95 39.14 1dco h PHE 43 CO 0.00 0.89 -0.10 -0.97 -2.23 0.00 0.00 178.31 175.90 1dco h ASN 44 N 0.28 -0.62 -0.09 0.41 -0.73 -1.97 0.66 115.58 113.52 1dco h ASN 44 Ca 0.04 0.26 -0.02 0.00 1.87 0.00 0.00 56.30 58.45 1dco h ASN 44 Cb 0.76 0.49 -0.00 0.00 0.27 0.00 0.00 38.32 39.84 1dco h ASN 44 CO 0.05 -0.29 -0.03 0.03 -0.37 0.00 0.00 177.43 176.82 1dco h ARG 45 N 0.03 0.18 0.36 6.67 3.08 -1.96 0.30 114.38 123.04 1dco h ARG 45 Ca 0.48 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 1dco h ARG 45 Cb 0.84 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1dco h ARG 45 CO -0.87 0.52 -0.18 0.00 -1.07 0.00 0.00 179.97 178.37 1dco h ALA 46 N 0.66 -0.49 -0.70 0.04 0.00 -0.45 0.13 119.26 118.45 1dco h ALA 46 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1dco h ALA 46 Cb 0.46 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1dco h ALA 46 CO 0.01 -0.77 0.34 0.35 0.00 0.00 0.00 179.25 179.18 1dco h PHE 47 N -0.50 0.98 -0.60 0.00 3.57 0.21 -0.83 116.94 119.76 1dco h PHE 47 Ca -0.05 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.46 1dco h PHE 47 Cb 0.38 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1dco h PHE 47 CO -0.05 0.71 0.34 0.78 -2.23 0.00 0.00 178.31 177.86 1dco h GLY 48 N 1.05 0.86 1.05 2.40 0.00 -0.15 -1.16 103.07 107.12 1dco h GLY 48 Ca 0.24 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1dco h GLY 48 CO -0.03 0.17 0.15 -2.75 0.00 0.00 0.00 176.54 174.08 1dco h PHE 49 N 0.65 1.13 -0.44 5.60 3.04 -0.08 -2.92 116.94 123.92 1dco h PHE 49 Ca 0.26 -0.14 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1dco h PHE 49 Cb 0.11 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.28 1dco h PHE 49 CO -0.08 0.93 0.28 0.52 -2.02 0.00 0.00 178.31 177.95 1dco h MET 50 N 1.00 0.54 -0.93 1.11 2.86 -0.72 -1.80 114.93 117.00 1dco h MET 50 Ca 0.21 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.89 1dco h MET 50 Cb 0.38 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 1dco h MET 50 CO 0.00 0.36 0.58 1.15 1.06 0.00 0.00 176.91 180.07 1dco h THR 51 N 0.56 1.01 -0.13 2.22 2.02 -1.15 0.21 112.91 117.65 1dco h THR 51 Ca 0.17 -0.35 -0.18 0.00 0.77 0.00 0.00 66.41 66.82 1dco h THR 51 Cb -0.03 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1dco h THR 51 CO -0.05 0.18 -0.65 0.03 0.37 0.00 0.00 175.52 175.40 1dco h ARG 52 N 1.01 0.51 -0.08 6.66 3.08 -1.20 -2.68 114.38 121.69 1dco h ARG 52 Ca 0.42 -0.37 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 1dco h ARG 52 Cb 0.27 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1dco h ARG 52 CO -0.20 0.99 -0.66 -0.39 -1.07 0.00 0.00 179.97 178.64 1dco h VAL 53 N 0.37 1.39 -0.76 2.04 -1.51 -0.91 -2.78 116.25 114.09 1dco h VAL 53 Ca -0.02 -2.06 0.12 0.00 -1.23 0.00 0.00 66.70 63.51 1dco h VAL 53 Cb 1.22 2.05 -0.05 0.00 -2.13 0.00 0.00 31.29 32.38 1dco h VAL 53 CO 0.12 0.61 0.50 0.00 -1.23 0.00 0.00 177.57 177.57 1dco h ALA 54 N 1.07 1.95 -0.06 5.19 0.00 -0.46 1.81 119.26 128.76 1dco h ALA 54 Ca -0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1dco h ALA 54 Cb 1.20 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1dco h ALA 54 CO 0.11 -0.13 -0.90 -0.07 0.00 0.00 0.00 179.25 178.26 1dco h LEU 55 N 0.55 0.89 -0.14 0.00 3.38 -1.33 -2.16 115.31 116.49 1dco h LEU 55 Ca 0.36 -0.70 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1dco h LEU 55 Cb 0.65 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1dco h LEU 55 CO -0.13 1.46 -0.09 -0.61 0.09 0.00 0.00 178.44 179.16 1dco h GLN 56 N 0.40 0.31 -0.75 1.13 5.75 -1.03 0.47 115.11 121.39 1dco h GLN 56 Ca -0.10 -0.14 0.10 0.00 -0.15 0.00 0.00 58.65 58.36 1dco h GLN 56 Cb 1.55 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 30.02 1dco h GLN 56 CO 0.18 0.65 0.39 0.00 -2.65 0.00 0.00 178.83 177.40 1dco h ALA 57 N 0.65 1.04 -0.05 3.38 0.00 0.27 0.05 119.26 124.61 1dco h ALA 57 Ca 0.03 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1dco h ALA 57 Cb 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dco h ALA 57 CO 0.02 -0.01 -0.81 0.93 0.00 0.00 0.00 179.25 179.38 1dco h GLU 58 N 0.65 0.39 -0.68 0.00 4.39 -1.29 0.10 114.58 118.15 1dco h GLU 58 Ca 0.37 -0.36 0.07 0.00 0.34 0.00 0.00 59.36 59.78 1dco h GLU 58 Cb 0.38 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1dco h GLU 58 CO -0.27 1.01 0.35 -0.22 -1.16 0.00 0.00 179.01 178.73 1dco h LYS 59 N 0.25 0.61 -0.01 2.33 3.64 0.18 -2.66 116.57 120.90 1dco h LYS 59 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1dco h LYS 59 Cb 1.41 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1dco h LYS 59 CO 0.14 0.40 -0.19 1.28 -2.27 0.00 0.00 179.45 178.81 1dco n LEU 60 N -4.83 1.05 -2.97 5.20 4.77 -0.36 -4.94 117.00 114.93 1dco n LEU 60 Ca 0.09 -0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 55.58 1dco n LEU 60 Cb 0.22 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1dco n LEU 60 CO 0.27 0.19 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.80 1dco n ASP 61 N -0.52 -5.54 -3.87 -1.43 -0.08 0.18 -4.96 116.55 100.34 1dco n ASP 61 Ca 0.14 -0.24 -0.28 0.00 -1.51 0.00 0.00 54.79 52.90 1dco n ASP 61 Cb 0.34 -4.51 -0.16 0.00 2.34 0.00 0.00 41.12 39.12 1dco n ASP 61 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 1dco s HIS 62 N -3.08 1.65 0.07 -0.67 2.46 -0.18 -5.02 115.29 110.52 1dco s HIS 62 Ca 0.26 -1.09 0.04 0.00 0.47 0.00 0.00 55.06 54.74 1dco s HIS 62 Cb -0.12 -1.28 -0.04 0.00 -0.13 0.00 0.00 32.58 31.00 1dco s HIS 62 CO 0.33 -0.62 0.03 -1.01 -2.47 0.00 0.00 174.74 170.99 1dco s HIS 63 N 1.65 3.08 0.28 3.88 3.76 -1.26 -4.38 115.29 122.29 1dco s HIS 63 Ca -0.00 0.03 0.06 0.00 -0.15 0.00 0.00 55.06 55.00 1dco s HIS 63 Cb -0.16 -1.59 -0.02 0.00 1.11 0.00 0.00 32.58 31.92 1dco s HIS 63 CO -0.07 0.49 0.39 -1.25 -0.85 0.00 0.00 174.74 173.45 1dco s PRO 64 N -2.23 3.25 -0.25 8.40 0.04 -1.26 -4.89 135.00 138.05 1dco s PRO 64 Ca 0.26 -0.90 -0.10 0.00 0.04 0.00 0.00 61.00 60.30 1dco s PRO 64 Cb -0.12 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1dco s PRO 64 CO 0.19 0.28 0.16 -1.21 0.04 0.00 0.00 177.00 176.45 1dco s GLU 65 N -4.04 3.99 0.01 4.56 2.02 -0.66 -4.94 118.70 119.63 1dco s GLU 65 Ca 0.38 -0.31 -0.13 0.00 0.02 0.00 0.00 54.97 54.93 1dco s GLU 65 Cb -0.09 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.60 1dco s GLU 65 CO 0.29 -0.04 0.28 1.67 0.02 0.00 0.00 175.26 177.49 1dco s TRP 66 N 1.34 -0.12 -0.02 1.61 -2.14 -1.26 0.31 118.94 118.66 1dco s TRP 66 Ca 0.07 0.11 0.04 0.00 2.66 0.00 0.00 56.10 58.97 1dco s TRP 66 Cb -0.15 0.07 -0.01 0.00 -3.10 0.00 0.00 33.47 30.29 1dco s TRP 66 CO 0.07 -0.41 -0.12 0.12 -2.66 0.00 0.00 176.95 173.94 1dco s PHE 67 N -1.75 1.15 -0.02 1.66 5.36 -0.29 -4.98 117.98 119.11 1dco s PHE 67 Ca -0.11 -0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1dco s PHE 67 Cb -0.04 -0.76 0.02 0.00 -0.34 0.00 0.00 43.02 41.90 1dco s PHE 67 CO 0.01 -0.06 0.03 1.21 -1.46 0.00 0.00 175.22 174.95 1dco s ASN 68 N -0.11 0.05 -0.06 6.13 2.47 -1.26 -0.48 114.94 121.67 1dco s ASN 68 Ca 0.02 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.34 1dco s ASN 68 Cb -0.07 -0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.71 1dco s ASN 68 CO 0.00 -0.10 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.54 1dco s VAL 69 N 0.85 0.65 0.00 -5.21 1.01 -0.73 -5.03 120.40 111.94 1dco s VAL 69 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1dco s VAL 69 Cb -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1dco s VAL 69 CO -0.02 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.35 1dco n TYR 70 N 4.42 0.00 0.95 5.22 9.36 -1.26 -0.49 117.16 135.35 1dco n TYR 70 Ca -0.18 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.14 1dco n TYR 70 Cb 0.51 0.00 0.31 0.00 -0.63 0.00 0.00 39.34 39.53 1dco n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dco n ASN 71 N 2.83 2.24 -4.65 2.98 6.94 -1.26 -4.36 115.26 119.97 1dco n ASN 71 Ca 0.00 -1.81 -0.35 0.00 -0.02 0.00 0.00 54.58 52.41 1dco n ASN 71 Cb 0.00 -0.15 -0.10 0.00 -2.36 0.00 0.00 39.78 37.17 1dco n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dco s LYS 72 N -1.70 3.18 -0.07 -3.83 1.02 0.35 -0.75 119.74 117.94 1dco s LYS 72 Ca 0.34 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 1dco s LYS 72 Cb 0.19 -2.85 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1dco s LYS 72 CO 0.28 0.59 0.04 0.08 -0.92 0.00 0.00 175.35 175.41 1dco s VAL 73 N -0.56 0.10 -0.27 3.17 1.01 -0.23 -1.77 120.40 121.84 1dco s VAL 73 Ca 0.09 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 1dco s VAL 73 Cb -0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1dco s VAL 73 CO 0.02 0.16 0.10 -1.00 0.00 0.00 0.00 175.10 174.38 1dco s HIS 74 N 2.08 3.12 -0.11 5.22 0.09 0.37 -0.25 115.29 125.81 1dco s HIS 74 Ca 0.05 -0.45 -0.02 0.00 -0.00 0.00 0.00 55.06 54.63 1dco s HIS 74 Cb -0.13 -2.28 -0.03 0.00 -0.00 0.00 0.00 32.58 30.14 1dco s HIS 74 CO -0.04 -0.38 -0.02 0.42 -0.00 0.00 0.00 174.74 174.72 1dco s ILE 75 N 1.62 4.12 -0.09 0.60 1.01 -0.52 -1.13 121.20 126.80 1dco s ILE 75 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1dco s ILE 75 Cb -0.16 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.57 1dco s ILE 75 CO 0.05 0.56 -0.15 -0.89 0.00 0.00 0.00 174.94 174.51 1dco s THR 76 N -0.38 1.40 0.05 2.92 2.01 0.15 -1.92 115.64 119.88 1dco s THR 76 Ca 0.07 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.54 1dco s THR 76 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1dco s THR 76 CO 0.02 0.42 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.38 1dco s LEU 77 N 0.82 2.18 -0.27 4.42 1.43 0.43 -1.65 118.68 126.04 1dco s LEU 77 Ca -0.11 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.15 1dco s LEU 77 Cb -0.16 -1.08 0.17 0.00 0.03 0.00 0.00 46.19 45.16 1dco s LEU 77 CO 0.02 0.19 1.29 -0.55 0.23 0.00 0.00 176.35 177.52 1dco s SER 78 N -1.28 -0.14 -0.59 2.29 0.15 -1.26 0.13 113.70 113.00 1dco s SER 78 Ca 0.09 0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 1dco s SER 78 Cb -0.09 0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.52 1dco s SER 78 CO 0.02 -0.09 0.66 -0.89 1.20 0.00 0.00 173.24 174.14 1dco s THR 79 N -0.57 4.94 0.15 6.45 2.01 -0.10 -4.88 115.64 123.64 1dco s THR 79 Ca 0.06 -1.16 -0.26 0.00 0.31 0.00 0.00 61.69 60.63 1dco s THR 79 Cb -0.03 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 68.03 1dco s THR 79 CO -0.09 -1.06 1.58 -0.74 -0.69 0.00 0.00 174.62 173.62 1dco h HIS 80 N 9.08 -1.15 -0.95 4.92 2.76 -1.93 0.27 115.15 128.15 1dco h HIS 80 Ca -0.28 0.06 0.29 0.00 -2.20 0.00 0.00 60.37 58.24 1dco h HIS 80 Cb 1.09 0.55 -0.16 0.00 1.55 0.00 0.00 27.41 30.44 1dco h HIS 80 CO 0.82 -0.43 0.27 1.49 -1.30 0.00 0.00 177.93 178.77 1dco h GLU 81 N -0.34 0.11 -0.01 5.26 4.81 -1.93 1.09 114.58 123.57 1dco h GLU 81 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1dco h GLU 81 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1dco h GLU 81 CO -0.53 0.07 -0.48 0.00 -0.73 0.00 0.00 179.01 177.35 1dco n ALA 83 N -0.96 -1.47 0.00 0.00 0.00 0.38 -4.87 120.51 113.59 1dco n ALA 83 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1dco n ALA 83 Cb 0.36 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.74 1dco n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dco n GLY 84 N -1.35 0.38 3.64 0.00 0.00 0.03 -4.82 105.19 103.07 1dco n GLY 84 Ca -0.15 -1.14 -0.53 0.00 0.00 0.00 0.00 46.02 44.20 1dco n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dco n LEU 85 N 0.00 2.10 0.00 0.99 4.77 -1.16 -0.92 117.00 122.78 1dco n LEU 85 Ca 0.00 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.79 1dco n LEU 85 Cb 0.00 -1.20 -0.06 0.00 -2.33 0.00 0.00 43.42 39.82 1dco n LEU 85 CO 0.00 -0.74 -0.20 -1.54 -1.33 0.00 0.00 177.39 173.58 1dco n SER 86 N 3.71 2.79 0.20 -1.43 3.41 -1.26 -1.44 113.62 119.60 1dco n SER 86 Ca 0.21 -3.05 0.05 0.00 -0.26 0.00 0.00 58.87 55.82 1dco n SER 86 Cb 0.19 0.49 0.43 0.00 -0.26 0.00 0.00 64.21 65.05 1dco n SER 86 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dco h GLU 87 N 0.00 0.00 -0.58 4.33 5.08 -1.93 -3.16 114.58 118.32 1dco h GLU 87 Ca -0.37 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.11 1dco h GLU 87 Cb 1.17 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1dco h GLU 87 CO 0.60 0.32 -0.05 0.00 -1.00 0.00 0.00 179.01 178.88 1dco h ARG 88 N 0.00 0.07 -0.56 2.33 3.08 -1.97 0.14 114.38 117.47 1dco h ARG 88 Ca -0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1dco h ARG 88 Cb 0.65 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1dco h ARG 88 CO 0.04 0.04 0.24 -0.44 -1.07 0.00 0.00 179.97 178.78 1dco h ASP 89 N 0.07 0.76 0.38 7.04 3.32 -1.90 0.45 116.42 126.53 1dco h ASP 89 Ca 0.29 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1dco h ASP 89 Cb 0.47 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1dco h ASP 89 CO -0.54 0.71 -0.27 0.40 -1.72 0.00 0.00 179.24 177.83 1dco h ILE 90 N 0.76 0.44 0.14 0.35 1.08 -1.39 0.98 117.51 119.88 1dco h ILE 90 Ca 0.19 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.68 1dco h ILE 90 Cb 0.18 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 1dco h ILE 90 CO -0.02 0.00 -0.42 0.78 -0.69 0.00 0.00 178.15 177.80 1dco h ASN 91 N -0.63 -1.25 0.02 1.72 -0.26 -0.62 0.17 115.58 114.73 1dco h ASN 91 Ca -0.03 0.14 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 1dco h ASN 91 Cb 0.54 0.47 -0.03 0.00 -1.06 0.00 0.00 38.32 38.23 1dco h ASN 91 CO 0.01 -0.50 -0.33 0.25 -1.06 0.00 0.00 177.43 175.81 1dco h LEU 92 N -0.67 -1.01 -0.98 1.61 5.85 -0.82 -0.77 115.31 118.52 1dco h LEU 92 Ca 0.02 0.11 0.31 0.00 0.84 0.00 0.00 57.88 59.16 1dco h LEU 92 Cb 0.69 0.38 -0.18 0.00 0.37 0.00 0.00 40.66 41.92 1dco h LEU 92 CO -0.23 -0.33 0.19 0.00 -0.34 0.00 0.00 178.44 177.73 1dco h ALA 93 N -0.86 1.46 0.03 1.25 0.00 0.15 0.13 119.26 121.43 1dco h ALA 93 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1dco h ALA 93 Cb 0.45 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1dco h ALA 93 CO -0.21 -0.67 -0.46 0.77 0.00 0.00 0.00 179.25 178.68 1dco h SER 94 N 0.03 -1.40 -0.13 0.00 0.02 0.80 -1.28 113.55 111.59 1dco h SER 94 Ca 0.67 0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.81 1dco h SER 94 Cb 1.51 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 64.55 1dco h SER 94 CO -0.86 -0.49 -0.07 0.15 -1.14 0.00 0.00 176.83 174.41 1dco h PHE 95 N -0.63 -0.18 -1.06 3.45 3.04 -0.27 -0.53 116.94 120.76 1dco h PHE 95 Ca 0.03 0.02 0.28 0.00 3.98 0.00 0.00 57.97 62.27 1dco h PHE 95 Cb 0.69 0.10 -0.09 0.00 2.56 0.00 0.00 35.95 39.21 1dco h PHE 95 CO -0.44 -0.12 0.69 0.82 -2.02 0.00 0.00 178.31 177.24 1dco h ILE 96 N -0.07 0.50 -0.27 1.41 5.03 -0.76 0.28 117.51 123.62 1dco h ILE 96 Ca 0.08 -0.12 -0.03 0.00 -0.12 0.00 0.00 64.86 64.67 1dco h ILE 96 Cb 0.18 0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 34.09 1dco h ILE 96 CO -0.18 0.06 0.06 -0.33 -0.68 0.00 0.00 178.15 177.09 1dco h GLU 97 N 0.34 0.44 0.00 2.37 4.39 0.08 -1.76 114.58 120.44 1dco h GLU 97 Ca 0.60 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1dco h GLU 97 Cb 1.62 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1dco h GLU 97 CO -0.27 0.53 0.00 1.04 -1.16 0.00 0.00 179.01 179.15 1dco n GLN 98 N -4.69 0.00 -0.23 2.33 6.02 0.85 -2.09 117.38 119.57 1dco n GLN 98 Ca -0.03 0.46 0.03 0.00 -0.01 0.00 0.00 57.00 57.46 1dco n GLN 98 Cb 0.19 -1.41 0.08 0.00 1.02 0.00 0.00 30.24 30.11 1dco n GLN 98 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1dco n VAL 99 N -1.82 -0.28 0.03 5.09 0.31 -0.51 -1.41 118.33 119.74 1dco n VAL 99 Ca 0.00 1.47 -0.16 0.00 -0.01 0.00 0.00 64.34 65.64 1dco n VAL 99 Cb 0.00 -2.01 -0.10 0.00 -0.91 0.00 0.00 33.84 30.82 1dco n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dco h ALA 100 N 1.20 -0.93 -1.07 3.52 0.00 -0.95 -2.86 119.26 118.17 1dco h ALA 100 Ca 0.29 -0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.43 1dco h ALA 100 Cb 0.45 0.97 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1dco h ALA 100 CO -0.65 -1.11 0.77 -0.24 0.00 0.00 0.00 179.25 178.02 1dco h VAL 101 N -0.64 0.47 0.13 0.00 3.04 -0.67 -2.30 116.25 116.27 1dco h VAL 101 Ca 0.02 -0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.45 1dco h VAL 101 Cb 0.71 0.46 0.03 0.00 -2.01 0.00 0.00 31.29 30.47 1dco h VAL 101 CO -0.38 0.00 -1.08 0.77 -1.01 0.00 0.00 177.57 175.87 1dco h SER 102 N 0.01 0.73 0.23 3.17 4.64 -1.50 -3.26 113.55 117.57 1dco h SER 102 Ca 0.51 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1dco h SER 102 Cb 2.03 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1dco h SER 102 CO -0.01 1.52 0.00 0.23 -0.87 0.00 0.00 176.83 177.70 1dco n MET 103 N -3.93 0.50 0.00 4.77 2.81 -0.88 -5.17 117.12 115.22 1dco n MET 103 Ca -0.14 0.04 0.07 0.00 -1.81 0.00 0.00 57.70 55.86 1dco n MET 103 Cb 0.92 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.98 1dco n MET 103 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89