#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 1.79 -1.63 1.57 0.63 -1.26 -4.61 116.66 113.15 1dco n ARG 7 Ca 0.00 -3.94 0.00 0.00 -0.92 0.00 0.00 57.85 52.99 1dco n ARG 7 Cb 0.00 -1.86 0.00 0.00 0.45 0.00 0.00 32.46 31.05 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 0.28 -2.18 -4.65 6.15 4.32 -1.16 -4.90 117.00 114.86 1dco n LEU 8 Ca 0.27 0.54 -0.39 0.00 -0.02 0.00 0.00 56.01 56.42 1dco n LEU 8 Cb 0.54 -0.86 0.04 0.00 -1.62 0.00 0.00 43.42 41.52 1dco n LEU 8 CO 0.26 -1.46 0.66 -0.24 -1.22 0.00 0.00 177.39 175.39 1dco n SER 9 N 1.85 1.34 0.11 -1.43 2.88 -1.26 -4.65 113.62 112.46 1dco n SER 9 Ca 0.00 0.89 0.12 0.00 -1.33 0.00 0.00 58.87 58.55 1dco n SER 9 Cb 0.00 -1.43 0.61 0.00 -0.75 0.00 0.00 64.21 62.65 1dco n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dco h ALA 10 N 0.92 2.12 0.39 -1.46 0.00 -1.98 0.65 119.26 119.91 1dco h ALA 10 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1dco h ALA 10 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1dco h ALA 10 CO 0.53 -0.18 -0.19 1.05 0.00 0.00 0.00 179.25 180.46 1dco h GLU 11 N 0.11 -0.51 -0.86 0.00 -0.00 -1.98 0.23 114.58 111.58 1dco h GLU 11 Ca 0.12 0.03 0.19 0.00 -0.00 0.00 0.00 59.36 59.71 1dco h GLU 11 Cb 0.36 0.12 -0.16 0.00 -0.00 0.00 0.00 28.75 29.07 1dco h GLU 11 CO -0.01 -0.34 -0.13 0.93 -0.00 0.00 0.00 179.01 179.45 1dco h GLU 12 N -0.62 0.02 0.00 1.06 5.08 -1.79 0.18 114.58 118.50 1dco h GLU 12 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1dco h GLU 12 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dco h GLU 12 CO 0.09 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.65 1dco n ARG 13 N -5.50 0.00 -0.35 2.33 1.74 0.22 0.61 116.66 115.72 1dco n ARG 13 Ca 0.14 0.58 0.30 0.00 -0.77 0.00 0.00 57.85 58.10 1dco n ARG 13 Cb 0.49 -1.30 0.46 0.00 -1.02 0.00 0.00 32.46 31.09 1dco n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1dco n ASP 14 N -1.84 0.00 -0.10 0.55 9.92 0.78 -0.31 116.55 125.55 1dco n ASP 14 Ca 0.00 0.63 -0.19 0.00 -0.53 0.00 0.00 54.79 54.69 1dco n ASP 14 Cb 0.00 -0.28 -0.09 0.00 -0.64 0.00 0.00 41.12 40.11 1dco n ASP 14 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1dco n GLN 15 N -3.04 0.55 0.24 -1.24 0.00 0.46 -4.63 117.38 109.70 1dco n GLN 15 Ca 0.25 0.51 -0.10 0.00 -0.00 0.00 0.00 57.00 57.67 1dco n GLN 15 Cb 1.27 -1.69 -0.05 0.00 0.00 0.00 0.00 30.24 29.78 1dco n GLN 15 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1dco h LEU 16 N -1.00 -0.53 -0.62 1.69 3.38 0.32 -3.39 115.31 115.17 1dco h LEU 16 Ca -0.32 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1dco h LEU 16 Cb 1.19 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.97 1dco h LEU 16 CO -0.20 -0.28 -0.45 -0.07 0.09 0.00 0.00 178.44 177.53 1dco h LEU 17 N -0.81 -1.57 -0.06 1.67 3.38 -1.60 -3.27 115.31 113.05 1dco h LEU 17 Ca -0.06 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1dco h LEU 17 Cb 0.48 0.71 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1dco h LEU 17 CO 0.10 -0.33 -0.04 -2.65 0.09 0.00 0.00 178.44 175.62 1dco n PRO 18 N -5.40 -0.03 -0.30 1.13 -0.02 -1.26 0.46 135.00 129.58 1dco n PRO 18 Ca 0.02 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.84 1dco n PRO 18 Cb 0.34 -0.45 0.11 0.00 -0.02 0.00 0.00 33.50 33.49 1dco n PRO 18 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 1dco h ASN 19 N 0.00 -0.78 -0.39 2.55 7.08 -1.84 1.53 115.58 123.73 1dco h ASN 19 Ca 0.01 0.26 -0.06 0.00 -3.08 0.00 0.00 56.30 53.42 1dco h ASN 19 Cb 0.03 0.53 -0.02 0.00 -2.08 0.00 0.00 38.32 36.77 1dco h ASN 19 CO -0.06 -0.28 0.03 -0.07 -2.08 0.00 0.00 177.43 174.97 1dco h LEU 20 N 0.00 0.72 -0.57 6.14 3.38 -0.19 -1.31 115.31 123.48 1dco h LEU 20 Ca 0.41 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1dco h LEU 20 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1dco h LEU 20 CO -0.88 0.77 -0.37 -0.09 0.09 0.00 0.00 178.44 177.96 1dco h ARG 21 N 0.71 0.73 0.00 1.13 9.65 0.97 0.86 114.38 128.44 1dco h ARG 21 Ca 0.15 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.64 1dco h ARG 21 Cb 0.40 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1dco h ARG 21 CO 0.01 0.98 -0.08 0.00 2.80 0.00 0.00 179.97 183.69 1dco h ALA 22 N 0.97 1.21 -0.35 2.80 0.00 0.32 -2.62 119.26 121.60 1dco h ALA 22 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dco h ALA 22 Cb 0.91 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1dco h ALA 22 CO 0.08 0.10 0.02 1.33 0.00 0.00 0.00 179.25 180.78 1dco n VAL 23 N -3.49 2.43 0.00 0.00 0.24 -0.80 -4.95 118.33 111.76 1dco n VAL 23 Ca -0.02 -1.88 0.00 0.00 -2.04 0.00 0.00 64.34 60.41 1dco n VAL 23 Cb 0.22 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 1dco n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dco n GLY 24 N -0.39 2.01 3.77 7.63 0.00 -0.96 -5.05 105.19 112.21 1dco n GLY 24 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.24 2.66 0.11 1.61 0.52 0.29 -4.58 118.94 117.33 1dco s TRP 25 Ca 0.00 1.54 -0.06 0.00 0.02 0.00 0.00 56.10 57.61 1dco s TRP 25 Cb 0.00 -3.14 -0.02 0.00 -1.15 0.00 0.00 33.47 29.17 1dco s TRP 25 CO 0.00 -1.63 0.15 -0.80 0.02 0.00 0.00 176.95 174.69 1dco s ASN 26 N -2.70 0.20 -0.14 2.95 0.02 0.22 -4.31 114.94 111.19 1dco s ASN 26 Ca 0.66 -0.88 -0.06 0.00 -1.02 0.00 0.00 52.86 51.56 1dco s ASN 26 Cb -0.20 0.33 -0.04 0.00 0.02 0.00 0.00 41.25 41.37 1dco s ASN 26 CO 0.43 -0.75 0.09 -1.61 0.02 0.00 0.00 177.10 175.28 1dco s GLU 27 N -3.94 3.57 0.39 -0.60 2.02 -1.26 0.06 118.70 118.94 1dco s GLU 27 Ca 0.12 -0.25 -0.24 0.00 0.02 0.00 0.00 54.97 54.61 1dco s GLU 27 Cb 0.05 -3.14 -0.09 0.00 0.10 0.00 0.00 34.13 31.06 1dco s GLU 27 CO -0.05 0.58 1.06 -0.51 0.02 0.00 0.00 175.26 176.36 1dco s LEU 28 N -0.48 4.17 -0.05 1.80 1.43 -0.92 -4.96 118.68 119.68 1dco s LEU 28 Ca 0.11 2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 55.07 1dco s LEU 28 Cb -0.12 -4.13 -0.31 0.00 0.03 0.00 0.00 46.19 41.66 1dco s LEU 28 CO 0.02 -0.49 0.88 -0.08 0.23 0.00 0.00 176.35 176.91 1dco h GLU 29 N 2.60 0.29 -0.81 1.70 4.57 -1.99 -3.34 114.58 117.60 1dco h GLU 29 Ca -0.48 -0.50 0.12 0.00 -1.18 0.00 0.00 59.36 57.32 1dco h GLU 29 Cb 1.22 0.18 -0.13 0.00 -0.16 0.00 0.00 28.75 29.86 1dco h GLU 29 CO 0.63 1.24 -0.42 0.78 -1.18 0.00 0.00 179.01 180.05 1dco h GLY 30 N -0.37 -0.23 0.00 1.92 0.00 -2.00 -3.46 103.07 98.92 1dco h GLY 30 Ca -0.14 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1dco h GLY 30 CO 0.14 -0.16 0.00 -0.96 0.00 0.00 0.00 176.54 175.57 1dco n ARG 31 N -5.42 0.00 -3.18 4.80 1.85 -1.25 -5.10 116.66 108.36 1dco n ARG 31 Ca 0.06 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.45 1dco n ARG 31 Cb 0.36 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.76 1dco n ARG 31 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1dco s ASP 32 N 0.66 6.90 0.04 2.89 2.15 -1.26 -4.18 116.67 123.87 1dco s ASP 32 Ca 0.00 -2.79 -0.28 0.00 0.43 0.00 0.00 52.55 49.92 1dco s ASP 32 Cb 0.00 -2.28 0.09 0.00 -0.30 0.00 0.00 42.92 40.43 1dco s ASP 32 CO 0.00 -0.65 0.94 0.00 -0.17 0.00 0.00 175.17 175.29 1dco s ALA 33 N 0.65 -1.79 0.18 3.66 0.00 -1.26 -2.60 121.76 120.59 1dco s ALA 33 Ca 0.28 0.74 0.08 0.00 0.00 0.00 0.00 51.96 53.06 1dco s ALA 33 Cb -0.08 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1dco s ALA 33 CO -0.08 -0.81 -0.18 0.96 0.00 0.00 0.00 175.76 175.66 1dco s ILE 34 N -3.12 1.83 0.32 0.00 -0.00 0.88 -2.16 121.20 118.94 1dco s ILE 34 Ca 0.08 -1.99 0.04 0.00 -0.00 0.00 0.00 60.65 58.78 1dco s ILE 34 Cb -0.01 -1.90 -0.04 0.00 -0.00 0.00 0.00 42.46 40.52 1dco s ILE 34 CO -0.05 -0.37 0.17 0.72 -0.00 0.00 0.00 174.94 175.41 1dco s PHE 35 N -2.23 1.63 -0.24 1.37 -0.71 0.11 0.19 117.98 118.10 1dco s PHE 35 Ca 0.17 -1.40 -0.27 0.00 -1.04 0.00 0.00 56.93 54.39 1dco s PHE 35 Cb -0.05 -0.86 0.13 0.00 -1.21 0.00 0.00 43.02 41.03 1dco s PHE 35 CO 0.07 -0.55 1.06 0.21 -1.34 0.00 0.00 175.22 174.68 1dco s LYS 36 N -3.77 0.49 -0.20 1.99 2.36 -0.38 0.73 119.74 120.96 1dco s LYS 36 Ca 0.35 0.36 -0.02 0.00 -2.55 0.00 0.00 55.97 54.11 1dco s LYS 36 Cb 0.04 0.23 0.00 0.00 -1.05 0.00 0.00 37.83 37.06 1dco s LYS 36 CO 0.18 -0.10 -0.11 -1.14 1.55 0.00 0.00 175.35 175.73 1dco s GLN 37 N -0.35 3.22 0.02 4.03 0.74 -1.26 -0.46 119.66 125.59 1dco s GLN 37 Ca 0.02 -0.71 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 1dco s GLN 37 Cb -0.03 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1dco s GLN 37 CO -0.04 -0.18 0.18 -0.06 -0.55 0.00 0.00 175.29 174.63 1dco s PHE 38 N 1.35 3.50 -0.12 1.67 0.40 0.10 -4.95 117.98 119.94 1dco s PHE 38 Ca 0.05 0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1dco s PHE 38 Cb -0.14 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.62 1dco s PHE 38 CO -0.07 0.62 -0.13 -1.01 0.70 0.00 0.00 175.22 175.33 1dco s HIS 39 N -1.38 1.85 0.45 0.36 3.76 -1.26 -1.12 115.29 117.95 1dco s HIS 39 Ca 0.29 -0.92 0.07 0.00 -0.15 0.00 0.00 55.06 54.35 1dco s HIS 39 Cb -0.13 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.16 1dco s HIS 39 CO 0.21 -0.52 0.30 -0.06 -0.85 0.00 0.00 174.74 173.83 1dco s PHE 40 N 1.28 2.40 0.07 1.40 0.08 0.22 -5.00 117.98 118.43 1dco s PHE 40 Ca -0.01 -0.62 -0.21 0.00 0.12 0.00 0.00 56.93 56.21 1dco s PHE 40 Cb -0.14 -2.02 -0.11 0.00 -0.57 0.00 0.00 43.02 40.18 1dco s PHE 40 CO -0.05 -0.09 1.55 -0.22 -0.10 0.00 0.00 175.22 176.31 1dco h LYS 41 N 1.12 0.25 -4.78 0.44 3.64 -1.82 -3.45 116.57 111.96 1dco h LYS 41 Ca -0.41 -0.06 -0.36 0.00 -1.27 0.00 0.00 60.65 58.55 1dco h LYS 41 Cb 1.27 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.92 1dco h LYS 41 CO 0.62 0.40 -0.57 0.16 -2.27 0.00 0.00 179.45 177.80 1dco s ASP 42 N -5.66 1.04 0.36 4.20 1.47 -1.26 -4.90 116.67 111.92 1dco s ASP 42 Ca -0.14 -1.53 0.11 0.00 1.18 0.00 0.00 52.55 52.17 1dco s ASP 42 Cb 0.06 0.41 0.67 0.00 -0.34 0.00 0.00 42.92 43.73 1dco s ASP 42 CO 0.71 -0.90 1.81 0.15 0.68 0.00 0.00 175.17 177.62 1dco h PHE 43 N 2.35 0.10 -0.62 2.11 3.57 -1.90 -0.25 116.94 122.31 1dco h PHE 43 Ca -0.33 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.20 1dco h PHE 43 Cb 1.25 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 1dco h PHE 43 CO 0.91 0.42 0.35 -0.97 -2.23 0.00 0.00 178.31 176.79 1dco h ASN 44 N 0.08 0.54 -0.12 0.41 -0.73 -1.95 0.88 115.58 114.69 1dco h ASN 44 Ca 0.01 0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 1dco h ASN 44 Cb 0.64 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1dco h ASN 44 CO 0.05 0.37 -0.36 -0.09 -0.37 0.00 0.00 177.43 177.03 1dco h ARG 45 N 0.67 0.45 -0.42 6.67 2.43 -1.89 -1.45 114.38 120.84 1dco h ARG 45 Ca 0.26 -0.33 0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1dco h ARG 45 Cb 0.11 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 1dco h ARG 45 CO -0.14 0.95 -0.02 0.00 -1.51 0.00 0.00 179.97 179.24 1dco h ALA 46 N 0.50 0.37 -0.30 2.80 0.00 -0.72 0.33 119.26 122.23 1dco h ALA 46 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1dco h ALA 46 Cb 0.98 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dco h ALA 46 CO 0.08 -0.41 -0.52 0.35 0.00 0.00 0.00 179.25 178.75 1dco h PHE 47 N 0.08 1.07 -0.04 0.00 3.57 -0.85 -0.66 116.94 120.11 1dco h PHE 47 Ca 0.21 -0.37 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1dco h PHE 47 Cb 0.31 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1dco h PHE 47 CO -0.30 1.19 -0.03 0.78 -2.23 0.00 0.00 178.31 177.73 1dco h GLY 48 N 0.74 0.07 0.86 2.40 0.00 -0.74 0.21 103.07 106.60 1dco h GLY 48 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1dco h GLY 48 CO 0.12 0.03 -0.41 -2.75 0.00 0.00 0.00 176.54 173.52 1dco h PHE 49 N 0.06 -1.07 -0.90 5.60 3.57 0.43 -2.94 116.94 121.69 1dco h PHE 49 Ca 0.02 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.65 1dco h PHE 49 Cb 0.09 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 1dco h PHE 49 CO 0.00 -0.66 0.58 0.52 -2.23 0.00 0.00 178.31 176.52 1dco h MET 50 N -1.30 0.62 -0.79 1.11 2.86 -0.31 -2.28 114.93 114.83 1dco h MET 50 Ca -0.12 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1dco h MET 50 Cb 0.88 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1dco h MET 50 CO 0.19 0.41 0.43 1.15 1.06 0.00 0.00 176.91 180.16 1dco h THR 51 N 0.64 1.24 0.00 2.22 2.02 -0.49 0.15 112.91 118.68 1dco h THR 51 Ca 0.46 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1dco h THR 51 Cb 0.82 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1dco h THR 51 CO -0.21 0.26 -0.18 0.03 0.37 0.00 0.00 175.52 175.79 1dco h ARG 52 N 1.10 0.00 0.04 6.66 3.08 -1.24 -1.04 114.38 122.98 1dco h ARG 52 Ca 0.28 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.13 1dco h ARG 52 Cb 0.03 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.10 1dco h ARG 52 CO -0.04 0.18 -0.81 0.28 -1.07 0.00 0.00 179.97 178.51 1dco h VAL 53 N 0.00 1.39 -0.70 2.04 2.07 -1.18 -2.72 116.25 117.15 1dco h VAL 53 Ca -0.00 -2.23 0.13 0.00 0.82 0.00 0.00 66.70 65.42 1dco h VAL 53 Cb 0.89 2.65 -0.09 0.00 -1.52 0.00 0.00 31.29 33.22 1dco h VAL 53 CO 0.02 0.66 0.24 0.00 0.02 0.00 0.00 177.57 178.51 1dco h ALA 54 N 0.30 0.93 -0.13 1.67 0.00 -0.56 0.69 119.26 122.16 1dco h ALA 54 Ca -0.11 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1dco h ALA 54 Cb 1.52 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1dco h ALA 54 CO 0.16 -0.24 0.01 -0.07 0.00 0.00 0.00 179.25 179.11 1dco h LEU 55 N 0.38 -0.02 -0.55 0.00 3.38 -1.19 -2.04 115.31 115.27 1dco h LEU 55 Ca 0.38 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.27 1dco h LEU 55 Cb 0.57 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1dco h LEU 55 CO -0.40 0.01 -0.05 1.56 0.09 0.00 0.00 178.44 179.65 1dco h GLN 56 N 0.07 1.01 -0.59 1.13 1.08 -0.61 -2.47 115.11 114.72 1dco h GLN 56 Ca 0.06 -0.35 0.12 0.00 -1.45 0.00 0.00 58.65 57.03 1dco h GLN 56 Cb 0.06 -0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 27.30 1dco h GLN 56 CO -0.09 1.03 -0.21 0.00 -0.95 0.00 0.00 178.83 178.61 1dco h ALA 57 N 0.94 0.26 -0.14 3.87 0.00 0.62 -0.14 119.26 124.66 1dco h ALA 57 Ca 0.15 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1dco h ALA 57 Cb 0.61 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1dco h ALA 57 CO 0.04 -0.51 0.08 0.93 0.00 0.00 0.00 179.25 179.80 1dco h GLU 58 N -0.06 0.17 -0.86 0.00 4.39 -1.19 0.45 114.58 117.47 1dco h GLU 58 Ca 0.27 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.10 1dco h GLU 58 Cb 0.49 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.01 1dco h GLU 58 CO -0.64 0.11 0.46 -0.22 -1.16 0.00 0.00 179.01 177.57 1dco h LYS 59 N 0.18 0.66 -0.01 2.33 3.64 -0.84 -0.35 116.57 122.17 1dco h LYS 59 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1dco h LYS 59 Cb -0.01 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1dco h LYS 59 CO -0.02 0.43 -0.37 1.28 -2.27 0.00 0.00 179.45 178.50 1dco n LEU 60 N -4.83 1.02 -3.31 5.20 4.77 -0.16 -4.96 117.00 114.73 1dco n LEU 60 Ca 0.17 -0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.64 1dco n LEU 60 Cb 0.41 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1dco n LEU 60 CO 0.22 0.20 0.01 -0.67 -1.33 0.00 0.00 177.39 175.83 1dco n ASP 61 N -0.81 -4.99 -3.90 -1.43 2.03 0.15 -4.97 116.55 102.62 1dco n ASP 61 Ca 0.10 -0.41 -0.21 0.00 0.52 0.00 0.00 54.79 54.80 1dco n ASP 61 Cb 0.36 -4.05 -0.16 0.00 -0.72 0.00 0.00 41.12 36.54 1dco n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dco s HIS 62 N -3.10 0.83 0.07 -0.67 2.46 -0.77 -5.02 115.29 109.09 1dco s HIS 62 Ca 0.41 -0.25 0.09 0.00 0.47 0.00 0.00 55.06 55.78 1dco s HIS 62 Cb -0.20 -0.73 -0.03 0.00 -0.13 0.00 0.00 32.58 31.49 1dco s HIS 62 CO 0.50 -0.21 -0.24 -1.01 -2.47 0.00 0.00 174.74 171.30 1dco s HIS 63 N 0.96 2.13 0.29 3.88 3.76 -1.26 -4.43 115.29 120.61 1dco s HIS 63 Ca -0.10 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 1dco s HIS 63 Cb -0.14 -1.23 -0.09 0.00 1.11 0.00 0.00 32.58 32.22 1dco s HIS 63 CO 0.00 0.18 0.78 -1.25 -0.85 0.00 0.00 174.74 173.59 1dco s PRO 64 N -1.49 4.22 -0.34 8.40 0.04 -1.26 -4.91 135.00 139.67 1dco s PRO 64 Ca 0.11 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.82 1dco s PRO 64 Cb -0.10 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1dco s PRO 64 CO 0.03 0.27 0.71 -1.21 0.04 0.00 0.00 177.00 176.84 1dco s GLU 65 N -2.41 3.81 0.10 4.56 2.02 -1.08 -4.98 118.70 120.73 1dco s GLU 65 Ca 0.49 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.81 1dco s GLU 65 Cb -0.14 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1dco s GLU 65 CO 0.19 -0.72 -0.07 1.67 0.02 0.00 0.00 175.26 176.35 1dco s TRP 66 N 2.86 0.94 -0.08 1.61 -2.14 -1.26 -1.96 118.94 118.91 1dco s TRP 66 Ca 0.28 -0.87 -0.01 0.00 2.66 0.00 0.00 56.10 58.17 1dco s TRP 66 Cb -0.14 -0.53 0.03 0.00 -3.10 0.00 0.00 33.47 29.72 1dco s TRP 66 CO 0.14 -0.11 -0.03 0.12 -2.66 0.00 0.00 176.95 174.41 1dco s PHE 67 N -3.47 0.88 -0.07 1.66 5.36 0.10 -4.93 117.98 117.51 1dco s PHE 67 Ca 0.12 -0.31 0.05 0.00 -0.96 0.00 0.00 56.93 55.83 1dco s PHE 67 Cb 0.04 -0.88 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 1dco s PHE 67 CO -0.04 -0.34 -0.25 1.21 -1.46 0.00 0.00 175.22 174.35 1dco s ASN 68 N 1.68 3.06 -0.39 6.13 3.84 -1.26 0.12 114.94 128.12 1dco s ASN 68 Ca 0.01 -0.53 0.01 0.00 0.21 0.00 0.00 52.86 52.57 1dco s ASN 68 Cb -0.13 -1.03 0.14 0.00 -0.55 0.00 0.00 41.25 39.68 1dco s ASN 68 CO -0.05 0.21 0.23 -0.69 -2.79 0.00 0.00 177.10 174.02 1dco s VAL 69 N 0.01 0.71 0.00 -5.21 1.01 -0.79 -5.02 120.40 111.12 1dco s VAL 69 Ca -0.09 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.76 1dco s VAL 69 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1dco s VAL 69 CO 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 175.10 174.20 1dco n TYR 70 N 3.77 0.00 0.78 5.22 9.36 -1.26 -2.87 117.16 132.16 1dco n TYR 70 Ca 0.11 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.41 1dco n TYR 70 Cb 0.36 0.00 0.21 0.00 -0.63 0.00 0.00 39.34 39.28 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 10.83 2.12 -4.23 2.98 6.94 -1.26 -4.06 115.26 128.58 1dco n ASN 71 Ca 0.00 -1.96 -0.27 0.00 -0.02 0.00 0.00 54.58 52.33 1dco n ASN 71 Cb 0.00 -0.25 -0.15 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.51 1.63 -0.10 -3.83 1.02 -1.14 0.72 119.74 116.54 1dco s LYS 72 Ca 0.28 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1dco s LYS 72 Cb 0.15 -1.62 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1dco s LYS 72 CO 0.20 0.44 -0.15 0.08 -0.92 0.00 0.00 175.35 174.99 1dco s VAL 73 N -0.57 1.46 -0.18 3.17 1.01 -0.27 -1.88 120.40 123.13 1dco s VAL 73 Ca 0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1dco s VAL 73 Cb -0.08 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1dco s VAL 73 CO -0.00 0.43 0.01 -2.28 0.00 0.00 0.00 175.10 173.26 1dco s HIS 74 N 0.87 3.09 -0.05 5.22 2.46 0.32 0.00 115.29 127.21 1dco s HIS 74 Ca -0.09 -0.27 0.03 0.00 0.47 0.00 0.00 55.06 55.20 1dco s HIS 74 Cb -0.15 -2.05 0.00 0.00 -0.13 0.00 0.00 32.58 30.25 1dco s HIS 74 CO 0.00 -0.09 -0.15 0.42 -2.47 0.00 0.00 174.74 172.46 1dco s ILE 75 N 0.68 1.25 -0.05 0.89 1.01 0.39 0.01 121.20 125.39 1dco s ILE 75 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.12 1dco s ILE 75 Cb -0.14 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1dco s ILE 75 CO 0.02 0.37 -0.24 -0.89 0.00 0.00 0.00 174.94 174.20 1dco s THR 76 N 0.23 2.16 -0.05 2.92 2.01 -0.83 -1.25 115.64 120.83 1dco s THR 76 Ca -0.07 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 60.93 1dco s THR 76 Cb -0.12 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1dco s THR 76 CO 0.02 0.57 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.61 1dco s LEU 77 N -0.33 1.86 -0.28 4.42 1.43 0.50 -2.63 118.68 123.65 1dco s LEU 77 Ca 0.02 -0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 1dco s LEU 77 Cb -0.12 -0.96 0.09 0.00 0.03 0.00 0.00 46.19 45.22 1dco s LEU 77 CO 0.02 0.12 0.77 -0.55 0.23 0.00 0.00 176.35 176.94 1dco s SER 78 N 0.24 -0.76 0.24 2.29 0.15 -1.26 -0.08 113.70 114.52 1dco s SER 78 Ca -0.08 1.34 -0.28 0.00 0.70 0.00 0.00 55.95 57.63 1dco s SER 78 Cb -0.13 1.34 -0.09 0.00 -1.71 0.00 0.00 66.02 65.43 1dco s SER 78 CO 0.03 -0.22 0.90 -0.89 1.20 0.00 0.00 173.24 174.26 1dco s THR 79 N 0.92 4.19 -0.00 6.45 2.01 -1.05 -4.89 115.64 123.27 1dco s THR 79 Ca -0.04 1.91 -0.13 0.00 0.31 0.00 0.00 61.69 63.73 1dco s THR 79 Cb -0.05 -4.19 -0.33 0.00 0.01 0.00 0.00 72.50 67.94 1dco s THR 79 CO -0.09 0.40 0.86 0.45 -0.69 0.00 0.00 174.62 175.55 1dco h HIS 80 N 3.91 0.85 -0.33 4.92 3.86 -1.97 -2.47 115.15 123.93 1dco h HIS 80 Ca -0.46 -0.62 0.07 0.00 -1.16 0.00 0.00 60.37 58.20 1dco h HIS 80 Cb 1.20 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.57 1dco h HIS 80 CO 0.62 1.60 -0.10 0.93 0.86 0.00 0.00 177.93 181.85 1dco h GLU 81 N 0.13 -0.02 -0.54 2.45 5.08 -1.94 -2.46 114.58 117.28 1dco h GLU 81 Ca -0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1dco h GLU 81 Cb 2.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.38 1dco h GLU 81 CO 0.23 -0.01 0.02 0.00 -1.00 0.00 0.00 179.01 178.25 1dco n ALA 83 N 0.37 -1.81 0.00 0.00 0.00 -0.93 -4.83 120.51 113.31 1dco n ALA 83 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1dco n ALA 83 Cb 1.17 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.27 1.15 3.56 0.00 0.00 -0.94 -4.77 105.19 102.92 1dco n GLY 84 Ca -0.10 -1.26 -0.47 0.00 0.00 0.00 0.00 46.02 44.19 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 1.34 -4.21 0.99 4.77 -1.07 -2.52 117.00 116.30 1dco n LEU 85 Ca 0.00 1.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.99 1dco n LEU 85 Cb 0.00 -1.22 -0.08 0.00 -2.33 0.00 0.00 43.42 39.79 1dco n LEU 85 CO 0.00 -1.54 -0.12 -0.94 -1.33 0.00 0.00 177.39 173.46 1dco s SER 86 N -0.39 0.80 0.61 -1.43 1.04 -1.26 -2.97 113.70 110.09 1dco s SER 86 Ca 0.65 -1.51 0.34 0.00 0.48 0.00 0.00 55.95 55.91 1dco s SER 86 Cb -0.79 0.49 1.96 0.00 0.10 0.00 0.00 66.02 67.78 1dco s SER 86 CO 0.56 -1.00 2.27 -0.33 0.98 0.00 0.00 173.24 175.73 1dco h GLU 87 N 2.36 0.00 -0.15 4.02 5.08 -1.95 -2.86 114.58 121.07 1dco h GLU 87 Ca -0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1dco h GLU 87 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1dco h GLU 87 CO 0.44 0.01 0.08 0.00 -1.00 0.00 0.00 179.01 178.54 1dco h ARG 88 N 0.00 0.22 -0.57 2.33 3.08 -1.95 -2.01 114.38 115.46 1dco h ARG 88 Ca -0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1dco h ARG 88 Cb 0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1dco h ARG 88 CO 0.00 0.23 0.11 -0.44 -1.07 0.00 0.00 179.97 178.80 1dco h ASP 89 N 0.14 0.85 -0.00 7.04 5.19 -1.89 -1.12 116.42 126.63 1dco h ASP 89 Ca 0.05 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1dco h ASP 89 Cb 0.08 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.37 1dco h ASP 89 CO -0.01 0.85 0.00 0.40 -3.12 0.00 0.00 179.24 177.36 1dco h ILE 90 N 0.86 1.07 0.20 0.35 1.08 -1.54 -0.91 117.51 118.61 1dco h ILE 90 Ca 0.18 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1dco h ILE 90 Cb 0.35 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1dco h ILE 90 CO 0.00 0.05 -0.50 -1.13 -0.69 0.00 0.00 178.15 175.88 1dco h ASN 91 N -0.08 -1.48 -0.90 1.72 -0.73 -1.32 0.18 115.58 112.96 1dco h ASN 91 Ca 0.00 0.15 0.06 0.00 1.87 0.00 0.00 56.30 58.38 1dco h ASN 91 Cb 0.08 0.54 -0.06 0.00 0.27 0.00 0.00 38.32 39.16 1dco h ASN 91 CO -0.00 -0.57 0.58 0.25 -0.37 0.00 0.00 177.43 177.33 1dco h LEU 92 N -0.79 0.91 -0.77 0.34 5.85 -1.11 -1.60 115.31 118.15 1dco h LEU 92 Ca -0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1dco h LEU 92 Cb 0.77 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1dco h LEU 92 CO -0.24 0.59 -0.06 0.00 -0.34 0.00 0.00 178.44 178.40 1dco h ALA 93 N 1.51 0.96 -0.67 1.25 0.00 -0.62 0.33 119.26 122.02 1dco h ALA 93 Ca 0.38 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1dco h ALA 93 Cb 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1dco h ALA 93 CO -0.14 0.62 0.33 0.77 0.00 0.00 0.00 179.25 180.83 1dco h SER 94 N 0.79 0.42 -0.19 0.00 0.02 0.31 0.15 113.55 115.06 1dco h SER 94 Ca 0.14 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1dco h SER 94 Cb 0.56 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1dco h SER 94 CO 0.03 0.25 0.09 0.15 -1.14 0.00 0.00 176.83 176.21 1dco h PHE 95 N 0.57 0.27 -0.69 3.45 3.57 -0.68 -1.44 116.94 121.99 1dco h PHE 95 Ca 0.33 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.87 1dco h PHE 95 Cb 0.33 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1dco h PHE 95 CO -0.11 0.30 0.45 0.82 -2.23 0.00 0.00 178.31 177.54 1dco h ILE 96 N 0.17 1.01 0.91 1.41 2.04 0.20 -0.64 117.51 122.61 1dco h ILE 96 Ca 0.06 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1dco h ILE 96 Cb 0.13 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1dco h ILE 96 CO -0.01 0.13 -0.45 -0.33 0.00 0.00 0.00 178.15 177.49 1dco h GLU 97 N 0.70 -1.20 -0.97 2.37 4.39 0.35 0.50 114.58 120.72 1dco h GLU 97 Ca 0.30 0.08 0.18 0.00 0.34 0.00 0.00 59.36 60.25 1dco h GLU 97 Cb 0.27 0.27 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1dco h GLU 97 CO -0.10 -0.80 0.57 1.96 -1.16 0.00 0.00 179.01 179.48 1dco h GLN 98 N -1.24 0.72 0.01 2.33 4.20 -0.92 -1.17 115.11 119.03 1dco h GLN 98 Ca -0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1dco h GLN 98 Cb 0.96 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1dco h GLN 98 CO 0.20 0.48 -0.00 0.28 -0.67 0.00 0.00 178.83 179.11 1dco h VAL 99 N 0.74 1.37 -0.92 -0.54 2.07 -0.99 -3.11 116.25 114.87 1dco h VAL 99 Ca 0.55 -1.15 0.27 0.00 0.82 0.00 0.00 66.70 67.18 1dco h VAL 99 Cb 0.81 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 1dco h VAL 99 CO -0.37 0.30 0.69 0.00 0.02 0.00 0.00 177.57 178.21 1dco h ALA 100 N 0.48 2.85 -1.00 1.67 0.00 0.29 -2.82 119.26 120.72 1dco h ALA 100 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dco h ALA 100 Cb 0.50 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dco h ALA 100 CO 0.00 -1.17 0.00 0.28 0.00 0.00 0.00 179.25 178.36 1dco n VAL 101 N -4.16 0.00 -0.91 0.00 0.31 -0.74 -3.88 118.33 108.95 1dco n VAL 101 Ca 0.19 0.85 -0.30 0.00 -0.01 0.00 0.00 64.34 65.07 1dco n VAL 101 Cb 1.02 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 32.15 1dco n VAL 101 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1dco n SER 102 N -1.50 0.87 0.00 4.52 3.41 -1.06 -1.70 113.62 118.15 1dco n SER 102 Ca 0.00 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1dco n SER 102 Cb 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1dco n SER 102 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1dco n MET 103 N 7.64 0.00 -0.38 4.33 0.00 -1.25 -4.93 117.12 122.53 1dco n MET 103 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.10 1dco n MET 103 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.65 1dco n MET 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38