#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 2.01 -0.29 -0.41 3.52 -1.26 -4.15 118.95 118.37 1dcp s ARG 7 Ca 0.00 -0.54 -0.32 0.00 -0.13 0.00 0.00 55.73 54.75 1dcp s ARG 7 Cb 0.00 -1.62 -0.08 0.00 -1.56 0.00 0.00 34.95 31.69 1dcp s ARG 7 CO 0.00 0.08 2.21 1.28 -0.81 0.00 0.00 175.30 178.06 1dcp n LEU 8 N 3.69 2.67 -4.76 -0.88 4.77 -1.01 -4.96 117.00 116.52 1dcp n LEU 8 Ca -0.22 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 1dcp n LEU 8 Cb 0.52 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 1dcp n LEU 8 CO 0.26 -0.73 0.18 -0.94 -1.33 0.00 0.00 177.39 174.84 1dcp s SER 9 N 7.91 6.78 0.47 -1.43 1.04 -1.26 -4.86 113.70 122.35 1dcp s SER 9 Ca 1.05 0.93 0.36 0.00 0.48 0.00 0.00 55.95 58.77 1dcp s SER 9 Cb -0.59 -2.30 1.54 0.00 0.10 0.00 0.00 66.02 64.77 1dcp s SER 9 CO 0.42 0.10 1.59 0.00 0.98 0.00 0.00 173.24 176.33 1dcp h ALA 10 N 6.02 3.06 -0.35 5.32 0.00 -1.97 0.99 119.26 132.32 1dcp h ALA 10 Ca -0.44 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1dcp h ALA 10 Cb 1.19 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1dcp h ALA 10 CO 0.71 -1.71 0.02 1.49 0.00 0.00 0.00 179.25 179.76 1dcp h GLU 11 N 0.02 0.12 0.46 0.00 4.81 -1.97 0.82 114.58 118.84 1dcp h GLU 11 Ca 0.88 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 60.08 1dcp h GLU 11 Cb 3.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 32.36 1dcp h GLU 11 CO -0.35 0.08 -0.22 0.93 -0.73 0.00 0.00 179.01 178.71 1dcp h GLU 12 N 0.12 -0.60 -0.43 1.92 5.08 0.58 -0.82 114.58 120.43 1dcp h GLU 12 Ca 0.17 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 1dcp h GLU 12 Cb 0.23 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 1dcp h GLU 12 CO -0.27 -0.31 -0.18 0.00 -1.00 0.00 0.00 179.01 177.25 1dcp h ARG 13 N -0.85 -0.09 -0.25 2.33 3.08 -1.07 1.84 114.38 119.37 1dcp h ARG 13 Ca -0.06 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1dcp h ARG 13 Cb 0.57 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1dcp h ARG 13 CO 0.10 -0.06 0.19 0.22 -1.07 0.00 0.00 179.97 179.36 1dcp h ASP 14 N -0.09 0.00 0.05 7.04 1.82 0.80 0.25 116.42 126.29 1dcp h ASP 14 Ca 0.21 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.55 1dcp h ASP 14 Cb 0.42 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.37 1dcp h ASP 14 CO -0.49 0.00 -2.25 0.00 -1.61 0.00 0.00 179.24 174.89 1dcp n GLN 15 N -4.36 0.68 -0.06 0.28 1.13 0.11 -4.53 117.38 110.63 1dcp n GLN 15 Ca 0.03 -0.02 -0.02 0.00 -1.94 0.00 0.00 57.00 55.05 1dcp n GLN 15 Cb 0.34 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 1dcp n GLN 15 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1dcp h LEU 16 N 0.00 0.00 -0.97 1.08 3.38 0.30 -3.40 115.31 115.70 1dcp h LEU 16 Ca -0.43 0.00 0.30 0.00 0.09 0.00 0.00 57.88 57.84 1dcp h LEU 16 Cb 2.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.57 1dcp h LEU 16 CO 0.03 0.61 0.19 -0.07 0.09 0.00 0.00 178.44 179.28 1dcp h LEU 17 N -0.95 -0.20 -0.89 1.67 3.38 -0.65 -3.23 115.31 114.43 1dcp h LEU 17 Ca 0.00 0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.35 1dcp h LEU 17 Cb 0.26 0.39 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 1dcp h LEU 17 CO 0.00 -0.33 -0.43 -0.65 0.09 0.00 0.00 178.44 177.12 1dcp h PRO 18 N 0.05 -0.05 0.00 1.13 0.11 -1.78 -1.54 132.00 129.92 1dcp h PRO 18 Ca 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.74 1dcp h PRO 18 Cb 1.43 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.55 1dcp h PRO 18 CO -0.83 -0.03 -0.10 -0.91 -0.21 0.00 0.00 178.00 175.92 1dcp h ASN 19 N -0.05 0.00 0.06 -2.05 2.35 -1.85 0.01 115.58 114.04 1dcp h ASN 19 Ca 0.27 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1dcp h ASN 19 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1dcp h ASN 19 CO -0.90 0.10 -0.03 -0.07 -1.65 0.00 0.00 177.43 174.88 1dcp h LEU 20 N 0.00 -0.06 -0.88 1.61 3.38 -1.55 -3.23 115.31 114.58 1dcp h LEU 20 Ca -0.00 -0.45 0.23 0.00 0.09 0.00 0.00 57.88 57.75 1dcp h LEU 20 Cb 0.27 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.89 1dcp h LEU 20 CO 0.01 0.62 0.21 -0.09 0.09 0.00 0.00 178.44 179.29 1dcp h ARG 21 N -0.96 0.18 0.00 1.13 9.65 -1.05 0.63 114.38 123.96 1dcp h ARG 21 Ca -0.01 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1dcp h ARG 21 Cb 0.51 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1dcp h ARG 21 CO 0.01 0.12 -0.03 0.00 2.80 0.00 0.00 179.97 182.88 1dcp h ALA 22 N 1.79 1.65 -0.02 2.80 0.00 -1.07 -2.02 119.26 122.38 1dcp h ALA 22 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1dcp h ALA 22 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1dcp h ALA 22 CO -0.67 0.04 -0.11 1.33 0.00 0.00 0.00 179.25 179.84 1dcp n VAL 23 N -4.06 0.00 0.00 0.00 0.24 0.19 -4.93 118.33 109.77 1dcp n VAL 23 Ca -0.03 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1dcp n VAL 23 Cb 0.11 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 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 1.08 0.92 3.79 7.63 0.00 -0.42 -5.10 105.19 113.09 1dcp n GLY 24 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.70 2.88 -0.09 1.61 0.52 0.32 -4.67 118.94 118.81 1dcp s TRP 25 Ca 0.00 1.55 -0.13 0.00 0.02 0.00 0.00 56.10 57.55 1dcp s TRP 25 Cb 0.00 -3.12 0.03 0.00 -1.15 0.00 0.00 33.47 29.23 1dcp s TRP 25 CO 0.00 -1.15 0.33 -0.80 0.02 0.00 0.00 176.95 175.35 1dcp s ASN 26 N -2.14 -0.30 0.32 2.95 -0.87 -0.69 -3.77 114.94 110.44 1dcp s ASN 26 Ca 0.68 0.50 -0.21 0.00 -1.57 0.00 0.00 52.86 52.26 1dcp s ASN 26 Cb -0.19 0.58 -0.10 0.00 -0.02 0.00 0.00 41.25 41.53 1dcp s ASN 26 CO 0.27 -0.22 0.85 -1.61 -2.57 0.00 0.00 177.10 173.82 1dcp s GLU 27 N -0.28 4.31 0.45 -0.60 2.02 -1.26 -0.76 118.70 122.59 1dcp s GLU 27 Ca -0.04 1.04 0.05 0.00 0.02 0.00 0.00 54.97 56.04 1dcp s GLU 27 Cb -0.03 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.60 1dcp s GLU 27 CO 0.02 0.22 0.63 -0.51 0.02 0.00 0.00 175.26 175.63 1dcp s LEU 28 N -2.45 3.57 -0.13 1.80 1.43 -0.84 -4.95 118.68 117.10 1dcp s LEU 28 Ca 0.52 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.23 1dcp s LEU 28 Cb -0.14 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1dcp s LEU 28 CO 0.19 -0.84 0.38 -0.70 0.23 0.00 0.00 176.35 175.62 1dcp s GLU 29 N -4.47 4.28 -0.34 1.70 2.12 -1.26 -4.32 118.70 116.41 1dcp s GLU 29 Ca 0.54 0.27 0.00 0.00 0.36 0.00 0.00 54.97 56.15 1dcp s GLU 29 Cb -0.10 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.87 1dcp s GLU 29 CO 0.35 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 1dcp n GLY 30 N 3.25 0.52 3.48 -1.50 0.00 -1.26 -4.94 105.19 104.75 1dcp n GLY 30 Ca -0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1dcp n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dcp s ARG 31 N -1.59 0.57 -0.89 1.61 3.52 -1.26 -5.10 118.95 115.81 1dcp s ARG 31 Ca 0.00 1.06 -0.22 0.00 -0.13 0.00 0.00 55.73 56.44 1dcp s ARG 31 Cb 0.00 0.12 0.07 0.00 -1.56 0.00 0.00 34.95 33.58 1dcp s ARG 31 CO 0.00 -0.16 1.24 0.34 -0.81 0.00 0.00 175.30 175.91 1dcp s ASP 32 N 1.64 6.43 0.05 -2.12 2.15 -1.26 -4.25 116.67 119.31 1dcp s ASP 32 Ca -0.09 -1.39 -0.27 0.00 0.43 0.00 0.00 52.55 51.23 1dcp s ASP 32 Cb -0.07 -2.49 0.08 0.00 -0.30 0.00 0.00 42.92 40.14 1dcp s ASP 32 CO -0.17 -1.42 0.74 0.00 -0.17 0.00 0.00 175.17 174.15 1dcp s ALA 33 N 4.26 -1.72 0.17 3.66 0.00 -1.26 -3.10 121.76 123.76 1dcp s ALA 33 Ca 0.36 0.87 0.09 0.00 0.00 0.00 0.00 51.96 53.27 1dcp s ALA 33 Cb -0.06 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 1dcp s ALA 33 CO -0.02 -0.65 -0.09 0.96 0.00 0.00 0.00 175.76 175.96 1dcp s ILE 34 N -2.96 3.26 0.09 0.00 -5.25 -0.58 -2.00 121.20 113.76 1dcp s ILE 34 Ca 0.00 -1.59 0.01 0.00 -0.99 0.00 0.00 60.65 58.08 1dcp s ILE 34 Cb -0.01 -2.61 -0.04 0.00 2.95 0.00 0.00 42.46 42.75 1dcp s ILE 34 CO -0.07 -0.08 -0.06 0.12 -1.79 0.00 0.00 174.94 173.06 1dcp s PHE 35 N -1.65 0.81 -0.28 1.37 5.36 0.06 0.38 117.98 124.03 1dcp s PHE 35 Ca 0.25 -0.95 -0.25 0.00 -0.96 0.00 0.00 56.93 55.02 1dcp s PHE 35 Cb -0.09 -0.49 0.14 0.00 -0.34 0.00 0.00 43.02 42.24 1dcp s PHE 35 CO 0.15 -0.20 1.12 0.21 -1.46 0.00 0.00 175.22 175.04 1dcp s LYS 36 N -3.84 0.41 -0.15 10.12 2.20 -0.76 -1.70 119.74 126.02 1dcp s LYS 36 Ca 0.11 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 56.15 1dcp s LYS 36 Cb 0.06 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1dcp s LYS 36 CO -0.06 -0.05 0.02 -1.14 -0.36 0.00 0.00 175.35 173.76 1dcp s GLN 37 N 0.17 3.64 0.07 4.03 2.00 -1.26 -0.23 119.66 128.07 1dcp s GLN 37 Ca 0.04 -0.41 0.08 0.00 -2.00 0.00 0.00 55.36 53.07 1dcp s GLN 37 Cb -0.05 -3.02 -0.03 0.00 0.80 0.00 0.00 33.01 30.70 1dcp s GLN 37 CO -0.08 0.38 -0.18 -0.06 -0.50 0.00 0.00 175.29 174.85 1dcp s PHE 38 N 0.04 2.56 -0.31 1.67 0.40 0.30 -5.00 117.98 117.63 1dcp s PHE 38 Ca 0.03 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1dcp s PHE 38 Cb -0.13 -1.42 0.12 0.00 0.51 0.00 0.00 43.02 42.10 1dcp s PHE 38 CO 0.02 0.30 0.19 -1.58 0.70 0.00 0.00 175.22 174.85 1dcp s HIS 39 N -1.00 0.28 0.82 0.36 2.46 -1.26 -1.17 115.29 115.78 1dcp s HIS 39 Ca 0.16 -0.99 -0.06 0.00 0.47 0.00 0.00 55.06 54.64 1dcp s HIS 39 Cb -0.11 -0.81 0.17 0.00 -0.13 0.00 0.00 32.58 31.70 1dcp s HIS 39 CO 0.07 -0.85 1.13 -0.06 -2.47 0.00 0.00 174.74 172.56 1dcp s PHE 40 N 1.81 1.35 0.11 3.88 0.08 0.35 -4.98 117.98 120.58 1dcp s PHE 40 Ca 0.12 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.09 1dcp s PHE 40 Cb -0.18 -3.40 -0.13 0.00 -0.57 0.00 0.00 43.02 38.75 1dcp s PHE 40 CO -0.24 -2.15 1.33 -0.22 -0.10 0.00 0.00 175.22 173.84 1dcp h LYS 41 N -0.97 0.00 0.00 0.44 3.64 -1.94 -3.45 116.57 114.29 1dcp h LYS 41 Ca -0.38 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1dcp h LYS 41 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1dcp h LYS 41 CO 0.36 0.92 0.17 -0.40 -2.27 0.00 0.00 179.45 178.24 1dcp n ASP 42 N -3.38 -1.59 0.02 4.20 5.68 -1.26 -4.91 116.55 115.30 1dcp n ASP 42 Ca 0.00 -2.16 -0.19 0.00 -0.50 0.00 0.00 54.79 51.93 1dcp n ASP 42 Cb 0.89 2.67 -0.09 0.00 -1.14 0.00 0.00 41.12 43.45 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 1.71 1.05 -0.63 2.11 3.57 -1.93 -0.34 116.94 122.49 1dcp h PHE 43 Ca -0.24 -0.54 0.10 0.00 3.53 0.00 0.00 57.97 60.82 1dcp h PHE 43 Cb 0.89 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 1dcp h PHE 43 CO 0.00 1.38 0.25 -0.97 -2.23 0.00 0.00 178.31 176.73 1dcp h ASN 44 N 0.44 0.26 -0.08 0.41 -0.73 -1.97 0.20 115.58 114.10 1dcp h ASN 44 Ca -0.11 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.10 1dcp h ASN 44 Cb 1.61 0.05 -0.00 0.00 0.27 0.00 0.00 38.32 40.25 1dcp h ASN 44 CO 0.19 0.15 -0.13 0.03 -0.37 0.00 0.00 177.43 177.30 1dcp h ARG 45 N 0.43 0.23 -0.47 6.67 3.08 -1.96 -1.70 114.38 120.65 1dcp h ARG 45 Ca 0.32 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.29 1dcp h ARG 45 Cb 0.39 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1dcp h ARG 45 CO -0.31 0.71 0.18 0.00 -1.07 0.00 0.00 179.97 179.47 1dcp h ALA 46 N 0.52 0.58 0.11 0.04 0.00 -0.31 0.18 119.26 120.38 1dcp h ALA 46 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1dcp h ALA 46 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1dcp h ALA 46 CO 0.03 -0.21 -0.05 0.35 0.00 0.00 0.00 179.25 179.37 1dcp h PHE 47 N 0.36 -0.13 -0.93 0.00 3.57 -0.69 -1.44 116.94 117.67 1dcp h PHE 47 Ca 0.22 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.93 1dcp h PHE 47 Cb 0.22 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.89 1dcp h PHE 47 CO -0.15 0.22 0.49 0.78 -2.23 0.00 0.00 178.31 177.42 1dcp h GLY 48 N -0.50 1.64 1.05 2.40 0.00 -1.24 0.80 103.07 107.23 1dcp h GLY 48 Ca -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1dcp h GLY 48 CO 0.02 -0.18 0.29 -2.75 0.00 0.00 0.00 176.54 173.92 1dcp h PHE 49 N 0.56 1.22 -0.08 5.60 3.57 -0.27 -2.65 116.94 124.88 1dcp h PHE 49 Ca 0.56 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.82 1dcp h PHE 49 Cb 0.99 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1dcp h PHE 49 CO -0.07 0.93 -0.58 0.52 -2.23 0.00 0.00 178.31 176.88 1dcp h MET 50 N 1.15 0.26 0.48 1.11 2.86 0.13 -2.43 114.93 118.49 1dcp h MET 50 Ca 0.26 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1dcp h MET 50 Cb 0.25 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1dcp h MET 50 CO -0.02 0.77 -0.25 1.15 1.06 0.00 0.00 176.91 179.62 1dcp h THR 51 N 0.20 0.48 -0.90 2.22 2.02 0.51 0.89 112.91 118.32 1dcp h THR 51 Ca -0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1dcp h THR 51 Cb 1.08 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 1dcp h THR 51 CO 0.09 0.00 0.58 0.03 0.37 0.00 0.00 175.52 176.59 1dcp h ARG 52 N -0.68 0.87 -0.46 6.66 3.08 -1.47 0.15 114.38 122.54 1dcp h ARG 52 Ca -0.06 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 1dcp h ARG 52 Cb 0.54 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1dcp h ARG 52 CO 0.09 0.57 -0.24 0.28 -1.07 0.00 0.00 179.97 179.60 1dcp h VAL 53 N 0.89 1.27 -0.23 2.04 2.07 -0.92 -2.79 116.25 118.59 1dcp h VAL 53 Ca 0.42 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1dcp h VAL 53 Cb 0.42 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1dcp h VAL 53 CO -0.19 0.48 -0.07 0.00 0.02 0.00 0.00 177.57 177.81 1dcp h ALA 54 N 0.84 0.13 -0.52 1.67 0.00 0.34 0.22 119.26 121.93 1dcp h ALA 54 Ca 0.10 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1dcp h ALA 54 Cb 0.82 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1dcp h ALA 54 CO 0.07 -0.49 -0.20 -0.07 0.00 0.00 0.00 179.25 178.57 1dcp h LEU 55 N -0.02 -0.69 -0.89 0.00 3.38 -0.72 0.72 115.31 117.09 1dcp h LEU 55 Ca 0.11 0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 1dcp h LEU 55 Cb 0.19 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1dcp h LEU 55 CO -0.25 -0.23 -0.13 -0.61 0.09 0.00 0.00 178.44 177.31 1dcp h GLN 56 N -0.08 0.68 -0.77 1.13 5.75 -1.14 0.38 115.11 121.06 1dcp h GLN 56 Ca 0.25 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1dcp h GLN 56 Cb 0.45 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1dcp h GLN 56 CO -0.57 0.79 0.45 0.00 -2.65 0.00 0.00 178.83 176.84 1dcp h ALA 57 N 1.24 0.98 -0.11 3.38 0.00 0.02 0.41 119.26 125.19 1dcp h ALA 57 Ca 0.10 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1dcp h ALA 57 Cb 0.58 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1dcp h ALA 57 CO 0.04 0.46 -0.76 1.49 0.00 0.00 0.00 179.25 180.48 1dcp h GLU 58 N 1.06 0.58 -0.58 0.00 4.57 -0.35 0.38 114.58 120.24 1dcp h GLU 58 Ca 0.27 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1dcp h GLU 58 Cb -0.02 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1dcp h GLU 58 CO -0.05 1.10 0.37 -0.22 -1.18 0.00 0.00 179.01 179.03 1dcp h LYS 59 N 0.39 0.77 -0.01 1.92 3.64 0.69 -3.02 116.57 120.95 1dcp h LYS 59 Ca -0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1dcp h LYS 59 Cb 1.37 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1dcp h LYS 59 CO 0.14 0.53 -0.45 1.28 -2.27 0.00 0.00 179.45 178.68 1dcp n LEU 60 N -4.66 1.44 -3.10 5.20 4.77 0.13 -4.97 117.00 115.81 1dcp n LEU 60 Ca 0.04 -0.49 -0.18 0.00 -0.03 0.00 0.00 56.01 55.35 1dcp n LEU 60 Cb 0.03 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1dcp n LEU 60 CO 0.36 0.28 0.16 -0.67 -1.33 0.00 0.00 177.39 176.18 1dcp n ASP 61 N -0.51 -3.98 -3.64 -1.43 2.03 0.13 -4.99 116.55 104.15 1dcp n ASP 61 Ca 0.10 -0.49 -0.18 0.00 0.52 0.00 0.00 54.79 54.74 1dcp n ASP 61 Cb 0.40 -4.39 -0.16 0.00 -0.72 0.00 0.00 41.12 36.25 1dcp n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dcp s HIS 62 N -3.29 -0.14 0.08 -0.67 2.46 -0.91 -5.05 115.29 107.78 1dcp s HIS 62 Ca 0.26 0.47 0.04 0.00 0.47 0.00 0.00 55.06 56.31 1dcp s HIS 62 Cb -0.12 -0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 31.97 1dcp s HIS 62 CO 0.62 -0.32 0.03 -1.01 -2.47 0.00 0.00 174.74 171.60 1dcp s HIS 63 N 2.27 3.07 0.35 3.88 3.76 -1.26 -4.45 115.29 122.92 1dcp s HIS 63 Ca 0.04 0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 54.95 1dcp s HIS 63 Cb -0.13 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 1dcp s HIS 63 CO -0.06 0.50 0.58 -1.25 -0.85 0.00 0.00 174.74 173.65 1dcp s PRO 64 N -2.33 3.51 -0.30 8.40 0.04 -1.26 -4.84 135.00 138.23 1dcp s PRO 64 Ca 0.27 -0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.00 1dcp s PRO 64 Cb -0.12 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1dcp s PRO 64 CO 0.20 0.11 0.13 -1.21 0.04 0.00 0.00 177.00 176.27 1dcp s GLU 65 N -4.25 3.35 -0.05 4.56 2.02 -0.83 -4.96 118.70 118.53 1dcp s GLU 65 Ca 0.41 -0.70 -0.22 0.00 0.02 0.00 0.00 54.97 54.48 1dcp s GLU 65 Cb -0.10 -3.49 0.05 0.00 0.10 0.00 0.00 34.13 30.69 1dcp s GLU 65 CO 0.36 -0.38 0.50 1.67 0.02 0.00 0.00 175.26 177.43 1dcp s TRP 66 N 1.59 -0.43 0.03 1.61 1.48 -1.26 -0.12 118.94 121.84 1dcp s TRP 66 Ca 0.04 0.76 0.08 0.00 -1.06 0.00 0.00 56.10 55.93 1dcp s TRP 66 Cb -0.17 0.25 -0.03 0.00 -1.16 0.00 0.00 33.47 32.36 1dcp s TRP 66 CO 0.05 -0.48 -0.23 0.12 -4.06 0.00 0.00 176.95 172.35 1dcp s PHE 67 N -1.12 2.41 -0.02 1.66 2.19 -0.54 -4.95 117.98 117.61 1dcp s PHE 67 Ca -0.11 -0.36 -0.04 0.00 0.33 0.00 0.00 56.93 56.75 1dcp s PHE 67 Cb -0.03 -1.44 0.00 0.00 -1.31 0.00 0.00 43.02 40.24 1dcp s PHE 67 CO 0.07 0.14 0.08 1.21 1.83 0.00 0.00 175.22 178.55 1dcp s ASN 68 N -1.17 -0.00 -0.07 6.13 3.84 -1.26 -1.54 114.94 120.85 1dcp s ASN 68 Ca 0.12 -0.04 -0.03 0.00 0.21 0.00 0.00 52.86 53.12 1dcp s ASN 68 Cb -0.10 0.18 0.04 0.00 -0.55 0.00 0.00 41.25 40.82 1dcp s ASN 68 CO 0.02 -0.17 0.13 -0.69 -2.79 0.00 0.00 177.10 173.60 1dcp s VAL 69 N -0.61 -0.21 0.00 -5.21 1.01 -0.85 -5.02 120.40 109.50 1dcp s VAL 69 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1dcp s VAL 69 Cb -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1dcp s VAL 69 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1dcp n TYR 70 N 5.24 0.00 -0.61 5.22 9.36 -1.26 -0.94 117.16 134.17 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 0.50 0.00 0.36 0.00 -0.63 0.00 0.00 39.34 39.57 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 5.31 4.87 -4.38 2.98 6.94 -1.26 -4.35 115.26 125.37 1dcp n ASN 71 Ca 0.00 -2.53 -0.31 0.00 -0.02 0.00 0.00 54.58 51.73 1dcp n ASN 71 Cb 0.00 -0.60 -0.14 0.00 -2.36 0.00 0.00 39.78 36.68 1dcp n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dcp s LYS 72 N -2.01 1.94 -0.03 -3.83 1.02 -0.11 -0.50 119.74 116.22 1dcp s LYS 72 Ca 0.51 -1.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1dcp s LYS 72 Cb 0.34 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1dcp s LYS 72 CO 0.23 0.53 0.03 0.08 -0.92 0.00 0.00 175.35 175.30 1dcp s VAL 73 N -0.81 0.01 -0.13 3.17 1.01 -0.32 -2.00 120.40 121.32 1dcp s VAL 73 Ca 0.12 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1dcp s VAL 73 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1dcp s VAL 73 CO 0.02 0.14 -0.07 -1.00 0.00 0.00 0.00 175.10 174.19 1dcp s HIS 74 N 1.41 2.95 -0.00 5.22 3.76 -0.59 -0.54 115.29 127.49 1dcp s HIS 74 Ca -0.05 -0.35 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1dcp s HIS 74 Cb -0.13 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 1dcp s HIS 74 CO -0.03 -0.03 -0.23 0.42 -0.85 0.00 0.00 174.74 174.02 1dcp s ILE 75 N 0.17 2.32 -0.05 0.60 1.01 0.68 -1.47 121.20 124.45 1dcp s ILE 75 Ca -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.52 1dcp s ILE 75 Cb -0.14 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1dcp s ILE 75 CO 0.04 0.51 -0.08 -0.89 0.00 0.00 0.00 174.94 174.51 1dcp s THR 76 N -0.70 0.82 -0.13 2.92 2.01 0.83 -1.82 115.64 119.57 1dcp s THR 76 Ca 0.11 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1dcp s THR 76 Cb -0.10 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1dcp s THR 76 CO 0.01 0.28 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.31 1dcp s LEU 77 N 0.69 1.67 -0.13 4.42 1.43 0.16 -1.97 118.68 124.95 1dcp s LEU 77 Ca -0.12 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1dcp s LEU 77 Cb -0.14 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.00 1dcp s LEU 77 CO 0.02 -0.02 0.35 -0.55 0.23 0.00 0.00 176.35 176.37 1dcp s SER 78 N 1.24 -0.37 0.09 2.29 0.15 -1.26 -1.52 113.70 114.33 1dcp s SER 78 Ca -0.01 0.70 -0.27 0.00 0.70 0.00 0.00 55.95 57.08 1dcp s SER 78 Cb -0.14 0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 1dcp s SER 78 CO -0.06 -0.13 0.84 -0.89 1.20 0.00 0.00 173.24 174.20 1dcp s THR 79 N 0.30 4.57 0.09 6.45 2.01 0.23 -4.93 115.64 124.35 1dcp s THR 79 Ca -0.01 1.81 -0.20 0.00 0.31 0.00 0.00 61.69 63.60 1dcp s THR 79 Cb -0.03 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1dcp s THR 79 CO -0.01 0.38 1.58 0.45 -0.69 0.00 0.00 174.62 176.33 1dcp h HIS 80 N 5.36 0.36 0.00 4.92 3.86 -1.97 -2.57 115.15 125.11 1dcp h HIS 80 Ca -0.44 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1dcp h HIS 80 Cb 1.21 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1dcp h HIS 80 CO 0.65 0.45 0.00 0.39 0.86 0.00 0.00 177.93 180.27 1dcp n GLU 81 N -4.76 0.00 -0.46 2.45 1.02 -1.26 -3.22 120.64 114.40 1dcp n GLU 81 Ca -0.04 0.00 0.35 0.00 -0.02 0.00 0.00 57.16 57.45 1dcp n GLU 81 Cb 0.17 -0.67 0.54 0.00 -0.02 0.00 0.00 31.44 31.46 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 -2.61 -0.89 -2.86 0.00 0.00 -0.98 -4.92 120.51 108.25 1dcp n ALA 83 Ca 0.30 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1dcp n ALA 83 Cb 1.33 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.37 1.80 3.84 0.00 0.00 -1.14 -4.57 105.19 103.75 1dcp n GLY 84 Ca -0.03 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 4.13 0.08 0.99 1.43 -1.18 0.74 118.68 124.86 1dcp s LEU 85 Ca 0.00 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1dcp s LEU 85 Cb 0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1dcp s LEU 85 CO 0.00 -0.15 -0.00 -0.94 0.23 0.00 0.00 176.35 175.49 1dcp s SER 86 N -2.12 0.43 0.56 2.29 1.04 -1.26 -2.40 113.70 112.24 1dcp s SER 86 Ca 0.52 -1.07 0.33 0.00 0.48 0.00 0.00 55.95 56.20 1dcp s SER 86 Cb -0.12 0.23 1.46 0.00 0.10 0.00 0.00 66.02 67.70 1dcp s SER 86 CO 0.18 -0.64 1.80 -0.33 0.98 0.00 0.00 173.24 175.23 1dcp h GLU 87 N 3.05 0.00 -0.21 4.02 5.08 -1.97 0.20 114.58 124.75 1dcp h GLU 87 Ca -0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1dcp h GLU 87 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1dcp h GLU 87 CO 0.64 0.00 0.11 0.00 -1.00 0.00 0.00 179.01 178.76 1dcp h ARG 88 N 0.00 0.30 -0.79 2.33 3.08 -1.95 -1.91 114.38 115.44 1dcp h ARG 88 Ca 0.43 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.47 1dcp h ARG 88 Cb 1.91 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.86 1dcp h ARG 88 CO -0.00 0.29 0.51 -0.44 -1.07 0.00 0.00 179.97 179.26 1dcp h ASP 89 N 0.23 0.85 -0.55 7.04 3.32 -0.98 0.44 116.42 126.77 1dcp h ASP 89 Ca 0.07 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1dcp h ASP 89 Cb 0.08 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1dcp h ASP 89 CO -0.01 0.59 0.32 0.40 -1.72 0.00 0.00 179.24 178.81 1dcp h ILE 90 N 1.00 1.03 -0.03 0.35 1.08 -1.26 0.22 117.51 119.90 1dcp h ILE 90 Ca 0.31 -0.21 -0.24 0.00 -0.39 0.00 0.00 64.86 64.33 1dcp h ILE 90 Cb -0.01 0.35 0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1dcp h ILE 90 CO -0.11 0.11 -0.93 -0.55 -0.69 0.00 0.00 178.15 175.99 1dcp h ASN 91 N 0.62 0.86 -0.48 1.72 7.08 -0.52 0.38 115.58 125.24 1dcp h ASN 91 Ca 0.23 -0.72 0.07 0.00 -3.08 0.00 0.00 56.30 52.79 1dcp h ASN 91 Cb 0.06 -0.26 -0.06 0.00 -2.08 0.00 0.00 38.32 35.98 1dcp h ASN 91 CO -0.11 1.47 0.16 0.25 -2.08 0.00 0.00 177.43 177.11 1dcp h LEU 92 N 0.35 0.15 -0.29 6.14 5.85 -0.74 0.47 115.31 127.24 1dcp h LEU 92 Ca -0.11 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1dcp h LEU 92 Cb 1.58 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 1dcp h LEU 92 CO 0.18 0.12 0.04 0.00 -0.34 0.00 0.00 178.44 178.44 1dcp h ALA 93 N 1.33 0.29 -0.86 1.25 0.00 -0.39 0.93 119.26 121.81 1dcp h ALA 93 Ca 0.23 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1dcp h ALA 93 Cb 0.25 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1dcp h ALA 93 CO -0.25 -0.37 0.53 1.03 0.00 0.00 0.00 179.25 180.19 1dcp h SER 94 N 0.15 0.81 0.01 0.00 0.87 0.24 0.13 113.55 115.76 1dcp h SER 94 Ca 0.14 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1dcp h SER 94 Cb 0.15 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1dcp h SER 94 CO -0.19 0.51 -0.00 0.15 -0.53 0.00 0.00 176.83 176.77 1dcp h PHE 95 N 0.94 -0.01 -1.01 2.24 3.57 0.97 -1.89 116.94 121.75 1dcp h PHE 95 Ca 0.38 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.02 1dcp h PHE 95 Cb 0.21 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.86 1dcp h PHE 95 CO -0.04 0.05 0.63 0.82 -2.23 0.00 0.00 178.31 177.54 1dcp h ILE 96 N -0.06 0.86 -0.49 1.41 2.04 0.25 0.73 117.51 122.24 1dcp h ILE 96 Ca -0.00 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1dcp h ILE 96 Cb 0.06 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 1dcp h ILE 96 CO 0.00 0.17 0.15 -0.33 0.00 0.00 0.00 178.15 178.14 1dcp h GLU 97 N 0.93 0.73 -0.27 2.37 4.39 -0.04 0.56 114.58 123.26 1dcp h GLU 97 Ca 0.52 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 60.11 1dcp h GLU 97 Cb 0.60 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1dcp h GLU 97 CO -0.30 0.64 0.13 1.96 -1.16 0.00 0.00 179.01 180.28 1dcp h GLN 98 N 0.72 0.27 -0.34 2.33 1.08 -0.32 -2.89 115.11 115.96 1dcp h GLN 98 Ca 0.17 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1dcp h GLN 98 Cb 0.22 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1dcp h GLN 98 CO -0.01 0.18 0.12 0.28 -0.95 0.00 0.00 178.83 178.44 1dcp h VAL 99 N 0.27 1.20 0.44 -0.54 2.07 -0.87 -3.25 116.25 115.58 1dcp h VAL 99 Ca 0.11 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1dcp h VAL 99 Cb 0.03 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1dcp h VAL 99 CO -0.08 0.22 -0.47 0.00 0.02 0.00 0.00 177.57 177.26 1dcp h ALA 100 N 0.96 -1.03 -1.05 1.67 0.00 -0.69 -2.73 119.26 116.38 1dcp h ALA 100 Ca 0.11 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.14 1dcp h ALA 100 Cb 0.23 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1dcp h ALA 100 CO -0.01 -1.12 0.71 -0.39 0.00 0.00 0.00 179.25 178.44 1dcp h VAL 101 N -0.93 0.51 0.37 0.00 -1.51 -1.65 -1.62 116.25 111.42 1dcp h VAL 101 Ca -0.05 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1dcp h VAL 101 Cb 0.82 0.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.21 1dcp h VAL 101 CO -0.08 0.04 -0.47 0.77 -1.23 0.00 0.00 177.57 176.60 1dcp h SER 102 N 0.23 -1.32 0.00 4.19 4.64 -1.51 -3.32 113.55 116.45 1dcp h SER 102 Ca 0.55 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1dcp h SER 102 Cb 1.72 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 64.26 1dcp h SER 102 CO -0.17 -0.60 0.00 0.23 -0.87 0.00 0.00 176.83 175.42 1dcp n MET 103 N -5.53 0.00 0.00 4.77 2.81 -0.63 -5.16 117.12 113.39 1dcp n MET 103 Ca -0.10 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1dcp n MET 103 Cb 0.43 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1dcp n MET 103 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89