#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dch n ARG 7 N 0.00 0.00 -3.97 -1.40 0.63 -1.26 -4.89 116.66 105.77 1dch n ARG 7 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1dch n ARG 7 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1dch n ARG 7 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1dch s LEU 8 N 0.00 4.23 1.23 6.15 1.02 -1.15 -4.91 118.68 125.24 1dch s LEU 8 Ca 0.00 0.34 -0.16 0.00 0.02 0.00 0.00 54.13 54.33 1dch s LEU 8 Cb 0.00 -2.30 0.28 0.00 0.02 0.00 0.00 46.19 44.19 1dch s LEU 8 CO 0.00 0.33 0.75 -1.54 0.02 0.00 0.00 176.35 175.91 1dch n SER 9 N 1.45 -2.46 0.11 2.29 3.41 -1.26 -4.76 113.62 112.40 1dch n SER 9 Ca -0.15 -0.33 -0.03 0.00 -0.26 0.00 0.00 58.87 58.10 1dch n SER 9 Cb 0.54 -1.12 0.06 0.00 -0.26 0.00 0.00 64.21 63.43 1dch n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dch h ALA 10 N -2.80 0.75 -0.27 7.33 0.00 -2.00 -2.85 119.26 119.42 1dch h ALA 10 Ca -0.56 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 53.54 1dch h ALA 10 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1dch h ALA 10 CO 0.42 0.94 -0.34 0.93 0.00 0.00 0.00 179.25 181.20 1dch h GLU 11 N 0.00 0.60 -0.46 0.00 5.08 -1.96 0.03 114.58 117.87 1dch h GLU 11 Ca -0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1dch h GLU 11 Cb 1.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1dch h GLU 11 CO 0.10 0.85 0.15 0.93 -1.00 0.00 0.00 179.01 180.04 1dch h GLU 12 N 0.50 0.70 0.08 2.33 5.08 -1.88 1.52 114.58 122.92 1dch h GLU 12 Ca 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1dch h GLU 12 Cb 0.83 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1dch h GLU 12 CO 0.07 0.67 -0.06 0.00 -1.00 0.00 0.00 179.01 178.69 1dch h ARG 13 N 0.60 -0.15 0.00 2.33 3.08 -1.22 0.43 114.38 119.46 1dch h ARG 13 Ca 0.15 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1dch h ARG 13 Cb 0.26 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1dch h ARG 13 CO -0.01 -0.10 -0.03 0.22 -1.07 0.00 0.00 179.97 178.99 1dch h ASP 14 N -0.15 0.00 0.00 7.04 1.82 -0.77 2.30 116.42 126.66 1dch h ASP 14 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1dch h ASP 14 Cb 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1dch h ASP 14 CO -0.01 0.03 0.00 0.00 -1.61 0.00 0.00 179.24 177.65 1dch n GLN 15 N -3.34 0.00 -0.24 0.28 6.02 0.52 -4.40 117.38 116.22 1dch n GLN 15 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1dch n GLN 15 Cb 0.15 -0.15 0.07 0.00 1.02 0.00 0.00 30.24 31.33 1dch n GLN 15 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1dch h LEU 16 N 0.00 -0.74 -0.58 1.08 3.38 0.01 -3.34 115.31 115.13 1dch h LEU 16 Ca 0.00 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1dch h LEU 16 Cb 0.00 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1dch h LEU 16 CO 0.00 -0.25 0.11 -0.07 0.09 0.00 0.00 178.44 178.33 1dch h LEU 17 N -0.03 -0.01 -0.78 1.67 3.38 0.37 -3.12 115.31 116.80 1dch h LEU 17 Ca 0.32 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.55 1dch h LEU 17 Cb 0.52 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 1dch h LEU 17 CO -0.72 0.01 0.32 1.55 0.09 0.00 0.00 178.44 179.68 1dch h PRO 18 N 0.25 0.44 -0.55 1.13 0.13 -1.68 -2.86 132.00 128.86 1dch h PRO 18 Ca 0.30 -0.03 0.09 0.00 -0.87 0.00 0.00 66.00 65.49 1dch h PRO 18 Cb 0.44 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1dch h PRO 18 CO -0.39 0.29 0.37 -0.91 -0.23 0.00 0.00 178.00 177.13 1dch h ASN 19 N 0.45 0.33 0.08 1.44 2.35 -1.79 0.28 115.58 118.73 1dch h ASN 19 Ca 0.43 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 56.06 1dch h ASN 19 Cb 0.67 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.98 1dch h ASN 19 CO -0.41 0.20 -0.61 -0.07 -1.65 0.00 0.00 177.43 174.89 1dch h LEU 20 N 0.37 0.27 -0.83 1.61 3.38 -1.69 -3.28 115.31 115.14 1dch h LEU 20 Ca 0.25 -0.94 0.17 0.00 0.09 0.00 0.00 57.88 57.46 1dch h LEU 20 Cb 0.49 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1dch h LEU 20 CO -0.06 1.28 0.35 -0.09 0.09 0.00 0.00 178.44 180.01 1dch h ARG 21 N -0.62 0.43 -0.11 1.13 2.43 -1.04 0.61 114.38 117.20 1dch h ARG 21 Ca -0.12 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1dch h ARG 21 Cb 1.41 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1dch h ARG 21 CO 0.07 0.29 0.12 0.00 -1.51 0.00 0.00 179.97 178.93 1dch h ALA 22 N 1.62 1.78 -0.46 2.80 0.00 -0.56 -2.93 119.26 121.51 1dch h ALA 22 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1dch h ALA 22 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1dch h ALA 22 CO -0.46 -0.17 0.00 1.33 0.00 0.00 0.00 179.25 179.95 1dch n VAL 23 N -3.96 0.72 0.00 0.00 0.24 0.21 -4.92 118.33 110.62 1dch n VAL 23 Ca -0.00 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1dch n VAL 23 Cb 0.22 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1dch n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dch n GLY 24 N 1.29 1.18 3.59 7.63 0.00 -0.90 -5.08 105.19 112.90 1dch n GLY 24 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1dch n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dch s TRP 25 N -1.26 2.65 0.12 1.61 0.52 -0.63 -4.80 118.94 117.15 1dch s TRP 25 Ca 0.00 0.59 -0.04 0.00 0.02 0.00 0.00 56.10 56.67 1dch s TRP 25 Cb 0.00 -4.45 -0.05 0.00 -1.15 0.00 0.00 33.47 27.82 1dch s TRP 25 CO 0.00 -1.52 0.35 -0.80 0.02 0.00 0.00 176.95 174.99 1dch s ASN 26 N 2.97 6.48 0.08 2.95 0.02 -1.20 -3.65 114.94 122.59 1dch s ASN 26 Ca 0.48 0.55 -0.25 0.00 -1.02 0.00 0.00 52.86 52.62 1dch s ASN 26 Cb -0.08 -2.08 -0.06 0.00 0.02 0.00 0.00 41.25 39.05 1dch s ASN 26 CO 0.29 0.09 0.77 -1.61 0.02 0.00 0.00 177.10 176.66 1dch s GLU 27 N -2.55 4.51 0.46 -0.60 8.01 -1.26 -1.59 118.70 125.69 1dch s GLU 27 Ca 0.39 1.09 -0.21 0.00 0.01 0.00 0.00 54.97 56.25 1dch s GLU 27 Cb -0.12 -3.34 -0.09 0.00 -4.31 0.00 0.00 34.13 26.27 1dch s GLU 27 CO 0.24 0.36 1.03 -0.51 0.01 0.00 0.00 175.26 176.39 1dch s LEU 28 N -0.33 3.93 -0.76 1.80 1.43 -0.47 -4.90 118.68 119.38 1dch s LEU 28 Ca 0.38 1.94 -0.21 0.00 -1.03 0.00 0.00 54.13 55.21 1dch s LEU 28 Cb -0.21 -4.46 0.10 0.00 0.03 0.00 0.00 46.19 41.64 1dch s LEU 28 CO 0.24 -0.68 1.01 -0.70 0.23 0.00 0.00 176.35 176.45 1dch s GLU 29 N -3.04 3.29 0.00 1.70 2.12 -1.26 -4.02 118.70 117.50 1dch s GLU 29 Ca 0.64 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1dch s GLU 29 Cb -0.17 -4.51 0.00 0.00 0.26 0.00 0.00 34.13 29.71 1dch s GLU 29 CO 0.21 -1.79 0.00 0.41 -0.54 0.00 0.00 175.26 173.56 1dch n GLY 30 N 5.42 2.33 3.99 -1.50 0.00 -1.26 -5.06 105.19 109.10 1dch n GLY 30 Ca 0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 1dch n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dch s ARG 31 N 0.00 2.51 -1.12 1.61 1.70 -1.26 -5.03 118.95 117.36 1dch s ARG 31 Ca 0.00 -0.95 -0.14 0.00 -0.47 0.00 0.00 55.73 54.17 1dch s ARG 31 Cb 0.00 -2.54 0.19 0.00 -0.57 0.00 0.00 34.95 32.03 1dch s ARG 31 CO 0.00 -0.69 1.28 0.34 -1.08 0.00 0.00 175.30 175.14 1dch s ASP 32 N -4.45 7.04 0.04 -2.89 2.15 -1.26 -4.35 116.67 112.94 1dch s ASP 32 Ca 0.58 -2.95 -0.08 0.00 0.43 0.00 0.00 52.55 50.53 1dch s ASP 32 Cb -0.10 -2.35 -0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1dch s ASP 32 CO 0.38 -0.69 0.16 0.00 -0.17 0.00 0.00 175.17 174.85 1dch s ALA 33 N 1.08 -0.27 -0.07 3.66 0.00 -1.26 -3.03 121.76 121.88 1dch s ALA 33 Ca 0.37 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1dch s ALA 33 Cb -0.05 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1dch s ALA 33 CO -0.04 -0.34 -0.13 0.96 0.00 0.00 0.00 175.76 176.22 1dch s ILE 34 N -2.49 3.15 0.42 0.00 -4.36 -0.99 -1.36 121.20 115.56 1dch s ILE 34 Ca -0.06 -0.68 0.07 0.00 -0.26 0.00 0.00 60.65 59.73 1dch s ILE 34 Cb -0.02 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.38 1dch s ILE 34 CO -0.04 0.58 0.13 0.12 0.24 0.00 0.00 174.94 175.97 1dch s PHE 35 N -0.54 2.55 -0.30 1.37 5.36 -0.62 -1.36 117.98 124.45 1dch s PHE 35 Ca 0.07 -0.62 -0.19 0.00 -0.96 0.00 0.00 56.93 55.23 1dch s PHE 35 Cb -0.12 -1.90 0.19 0.00 -0.34 0.00 0.00 43.02 40.85 1dch s PHE 35 CO 0.02 0.25 1.27 0.21 -1.46 0.00 0.00 175.22 175.50 1dch s LYS 36 N -3.85 0.05 -0.04 10.12 2.36 0.52 -3.22 119.74 125.67 1dch s LYS 36 Ca 0.39 0.12 -0.23 0.00 -2.55 0.00 0.00 55.97 53.70 1dch s LYS 36 Cb 0.06 0.07 -0.04 0.00 -1.05 0.00 0.00 37.83 36.87 1dch s LYS 36 CO 0.21 -0.02 0.67 -0.65 1.55 0.00 0.00 175.35 177.10 1dch s GLN 37 N 2.17 4.41 -0.13 4.03 -0.21 -1.26 -0.18 119.66 128.50 1dch s GLN 37 Ca -0.01 0.83 0.03 0.00 0.02 0.00 0.00 55.36 56.23 1dch s GLN 37 Cb -0.02 -3.41 0.01 0.00 1.00 0.00 0.00 33.01 30.59 1dch s GLN 37 CO -0.15 0.16 -0.21 -0.06 -2.12 0.00 0.00 175.29 172.91 1dch s PHE 38 N 0.48 2.49 0.04 0.91 0.08 0.13 -4.96 117.98 117.15 1dch s PHE 38 Ca 0.35 -1.20 0.05 0.00 0.12 0.00 0.00 56.93 56.25 1dch s PHE 38 Cb -0.18 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1dch s PHE 38 CO 0.18 -0.55 -0.10 -1.01 -0.10 0.00 0.00 175.22 173.64 1dch s HIS 39 N 0.76 2.79 0.42 0.36 3.76 -1.26 0.95 115.29 123.07 1dch s HIS 39 Ca -0.09 -0.11 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 1dch s HIS 39 Cb -0.16 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 1dch s HIS 39 CO 0.00 0.36 0.06 -0.06 -0.85 0.00 0.00 174.74 174.25 1dch s PHE 40 N -1.03 1.93 0.44 1.40 0.08 0.10 -5.00 117.98 115.89 1dch s PHE 40 Ca 0.18 -1.05 0.11 0.00 0.12 0.00 0.00 56.93 56.29 1dch s PHE 40 Cb -0.11 -1.40 0.99 0.00 -0.57 0.00 0.00 43.02 41.93 1dch s PHE 40 CO 0.09 0.01 2.04 -0.22 -0.10 0.00 0.00 175.22 177.04 1dch h LYS 41 N 1.72 0.40 0.00 0.44 1.63 -1.85 -3.45 116.57 115.46 1dch h LYS 41 Ca -0.40 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1dch h LYS 41 Cb 1.28 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1dch h LYS 41 CO 0.68 0.27 0.00 -0.40 -3.45 0.00 0.00 179.45 176.54 1dch n ASP 42 N -4.48 0.00 -0.01 4.20 5.68 -1.26 -4.99 116.55 115.70 1dch n ASP 42 Ca 0.05 -0.45 -0.17 0.00 -0.50 0.00 0.00 54.79 53.72 1dch n ASP 42 Cb 0.19 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.06 1dch n ASP 42 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1dch h PHE 43 N 0.45 0.59 -0.41 2.11 3.57 -1.92 -2.74 116.94 118.59 1dch h PHE 43 Ca 0.00 -0.31 0.12 0.00 3.53 0.00 0.00 57.97 61.31 1dch h PHE 43 Cb 0.00 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1dch h PHE 43 CO 0.00 1.11 0.30 -0.97 -2.23 0.00 0.00 178.31 176.52 1dch h ASN 44 N -0.09 0.00 0.13 0.41 -0.73 -1.96 0.13 115.58 113.46 1dch h ASN 44 Ca -0.06 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.79 1dch h ASN 44 Cb 1.24 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.83 1dch h ASN 44 CO 0.11 0.00 -1.63 0.03 -0.37 0.00 0.00 177.43 175.57 1dch h ARG 45 N 0.00 0.27 -0.36 6.67 3.08 -1.94 -2.43 114.38 119.68 1dch h ARG 45 Ca 0.20 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1dch h ARG 45 Cb 0.80 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1dch h ARG 45 CO -0.00 1.22 0.16 0.00 -1.07 0.00 0.00 179.97 180.28 1dch h ALA 46 N -0.01 1.61 0.12 0.04 0.00 -1.15 0.28 119.26 120.16 1dch h ALA 46 Ca -0.35 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.15 1dch h ALA 46 Cb 1.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1dch h ALA 46 CO 0.08 0.32 -1.75 0.35 0.00 0.00 0.00 179.25 178.24 1dch h PHE 47 N 0.50 0.48 -1.08 0.00 3.57 -1.12 -2.80 116.94 116.50 1dch h PHE 47 Ca 0.13 -0.35 0.31 0.00 3.53 0.00 0.00 57.97 61.59 1dch h PHE 47 Cb 0.08 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 38.68 1dch h PHE 47 CO 0.00 1.69 0.66 0.78 -2.23 0.00 0.00 178.31 179.22 1dch h GLY 48 N 0.58 1.58 1.60 2.40 0.00 -1.18 1.04 103.07 109.09 1dch h GLY 48 Ca -0.38 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 1dch h GLY 48 CO 0.07 -0.30 -0.44 -2.75 0.00 0.00 0.00 176.54 173.13 1dch h PHE 49 N 0.35 0.52 -0.05 5.60 3.04 -0.52 -3.16 116.94 122.72 1dch h PHE 49 Ca 0.68 -0.16 -0.09 0.00 3.98 0.00 0.00 57.97 62.39 1dch h PHE 49 Cb 1.70 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 40.10 1dch h PHE 49 CO -0.01 0.80 -0.30 0.52 -2.02 0.00 0.00 178.31 177.31 1dch h MET 50 N 0.36 0.30 -1.03 1.11 2.86 0.11 -2.97 114.93 115.66 1dch h MET 50 Ca 0.03 -0.25 0.26 0.00 -2.06 0.00 0.00 59.70 57.68 1dch h MET 50 Cb 0.91 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.53 1dch h MET 50 CO 0.08 0.90 0.65 1.15 1.06 0.00 0.00 176.91 180.75 1dch h THR 51 N -0.23 0.54 0.05 2.22 2.02 0.05 0.23 112.91 117.80 1dch h THR 51 Ca -0.02 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 66.74 1dch h THR 51 Cb 0.96 0.06 0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1dch h THR 51 CO 0.06 0.08 -1.06 0.03 0.37 0.00 0.00 175.52 175.00 1dch h ARG 52 N 0.44 0.63 -0.13 6.66 3.08 -1.53 -2.91 114.38 120.61 1dch h ARG 52 Ca 0.60 -0.74 -0.22 0.00 0.07 0.00 0.00 59.98 59.69 1dch h ARG 52 Cb 1.42 0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.71 1dch h ARG 52 CO -0.32 1.32 -0.78 0.28 -1.07 0.00 0.00 179.97 179.39 1dch h VAL 53 N 0.26 1.30 -0.29 2.04 2.07 -1.33 -3.04 116.25 117.27 1dch h VAL 53 Ca -0.15 -2.03 0.06 0.00 0.82 0.00 0.00 66.70 65.40 1dch h VAL 53 Cb 1.74 2.04 -0.08 0.00 -1.52 0.00 0.00 31.29 33.46 1dch h VAL 53 CO 0.21 0.64 -0.34 0.00 0.02 0.00 0.00 177.57 178.09 1dch h ALA 54 N 0.64 -0.31 -0.55 1.67 0.00 -0.62 0.19 119.26 120.28 1dch h ALA 54 Ca -0.05 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1dch h ALA 54 Cb 1.40 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 19.79 1dch h ALA 54 CO 0.16 -0.78 -0.27 1.25 0.00 0.00 0.00 179.25 179.61 1dch h LEU 55 N -0.33 -0.92 -1.14 0.00 5.85 -1.59 -2.61 115.31 114.57 1dch h LEU 55 Ca 0.13 0.20 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 1dch h LEU 55 Cb 0.55 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1dch h LEU 55 CO -0.47 -0.27 0.10 -0.61 -0.34 0.00 0.00 178.44 176.84 1dch h GLN 56 N -0.13 0.70 -0.56 1.25 -0.00 -1.31 -2.94 115.11 112.12 1dch h GLN 56 Ca 0.24 -0.14 -0.08 0.00 -0.00 0.00 0.00 58.65 58.68 1dch h GLN 56 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 1dch h GLN 56 CO -0.63 0.65 0.03 0.00 0.00 0.00 0.00 178.83 178.88 1dch h ALA 57 N 1.43 1.00 -0.43 3.38 0.00 -0.24 -2.62 119.26 121.77 1dch h ALA 57 Ca 0.15 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1dch h ALA 57 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dch h ALA 57 CO -0.00 0.62 -0.27 0.93 0.00 0.00 0.00 179.25 180.53 1dch h GLU 58 N 0.87 0.92 0.07 0.00 4.39 -1.44 1.47 114.58 120.85 1dch h GLU 58 Ca 0.17 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1dch h GLU 58 Cb 0.47 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1dch h GLU 58 CO 0.02 1.07 -0.24 -0.22 -1.16 0.00 0.00 179.01 178.48 1dch h LYS 59 N 0.78 -0.34 0.00 2.33 3.64 -1.51 -2.07 116.57 119.40 1dch h LYS 59 Ca 0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1dch h LYS 59 Cb 0.84 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1dch h LYS 59 CO 0.07 -0.22 0.00 1.28 -2.27 0.00 0.00 179.45 178.31 1dch n LEU 60 N -3.80 0.26 -3.04 5.20 4.77 -0.99 -4.87 117.00 114.53 1dch n LEU 60 Ca -0.04 0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 56.28 1dch n LEU 60 Cb 0.19 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1dch n LEU 60 CO 0.07 -0.31 0.09 -0.67 -1.33 0.00 0.00 177.39 175.24 1dch n ASP 61 N -1.77 -5.94 -3.74 -1.43 2.03 0.47 -4.96 116.55 101.21 1dch n ASP 61 Ca 0.04 -0.36 -0.25 0.00 0.52 0.00 0.00 54.79 54.73 1dch n ASP 61 Cb 0.22 -4.68 -0.17 0.00 -0.72 0.00 0.00 41.12 35.78 1dch n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dch s HIS 62 N -3.20 0.80 -0.18 -0.67 2.46 0.76 -4.98 115.29 110.29 1dch s HIS 62 Ca 0.39 -0.51 -0.04 0.00 0.47 0.00 0.00 55.06 55.36 1dch s HIS 62 Cb -0.17 -0.90 -0.02 0.00 -0.13 0.00 0.00 32.58 31.35 1dch s HIS 62 CO 0.48 -0.48 -0.02 -1.01 -2.47 0.00 0.00 174.74 171.24 1dch s HIS 63 N 1.93 3.02 0.76 3.88 3.76 -1.26 -4.51 115.29 122.87 1dch s HIS 63 Ca 0.02 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.37 1dch s HIS 63 Cb -0.15 -2.02 0.06 0.00 1.11 0.00 0.00 32.58 31.57 1dch s HIS 63 CO -0.07 -0.17 1.15 -1.25 -0.85 0.00 0.00 174.74 173.55 1dch s PRO 64 N 0.73 2.08 -0.20 8.40 0.04 -1.26 -4.95 135.00 139.84 1dch s PRO 64 Ca -0.01 1.53 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 1dch s PRO 64 Cb -0.14 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1dch s PRO 64 CO 0.02 -1.83 0.04 -1.83 0.04 0.00 0.00 177.00 173.44 1dch s GLU 65 N -4.28 3.79 0.08 4.56 -1.05 -1.18 -5.01 118.70 115.62 1dch s GLU 65 Ca 0.69 -0.43 -0.02 0.00 -0.15 0.00 0.00 54.97 55.05 1dch s GLU 65 Cb -0.24 -3.16 -0.03 0.00 -0.44 0.00 0.00 34.13 30.26 1dch s GLU 65 CO 0.49 0.12 0.03 1.67 0.95 0.00 0.00 175.26 178.52 1dch s TRP 66 N 0.75 0.57 0.09 4.83 -2.14 -1.26 -1.87 118.94 119.90 1dch s TRP 66 Ca 0.02 -1.05 0.04 0.00 2.66 0.00 0.00 56.10 57.77 1dch s TRP 66 Cb -0.14 -0.36 -0.03 0.00 -3.10 0.00 0.00 33.47 29.84 1dch s TRP 66 CO 0.02 -0.45 -0.11 0.12 -2.66 0.00 0.00 176.95 173.87 1dch s PHE 67 N -3.95 1.07 -0.12 1.66 2.19 -0.44 -4.94 117.98 113.45 1dch s PHE 67 Ca 0.12 -0.58 -0.08 0.00 0.33 0.00 0.00 56.93 56.72 1dch s PHE 67 Cb 0.07 -0.59 0.04 0.00 -1.31 0.00 0.00 43.02 41.23 1dch s PHE 67 CO -0.06 0.01 0.30 1.21 1.83 0.00 0.00 175.22 178.51 1dch s ASN 68 N -2.16 -0.33 0.00 6.13 3.84 -1.26 -1.61 114.94 119.55 1dch s ASN 68 Ca 0.02 0.62 0.00 0.00 0.21 0.00 0.00 52.86 53.71 1dch s ASN 68 Cb -0.06 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.20 1dch s ASN 68 CO 0.01 -0.14 0.00 0.52 -2.79 0.00 0.00 177.10 174.70 1dch n VAL 69 N 3.66 0.00 -0.14 -5.21 0.31 -1.08 -4.98 118.33 110.90 1dch n VAL 69 Ca -0.20 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.84 1dch n VAL 69 Cb 0.56 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.38 1dch n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dch n TYR 70 N 0.00 0.06 -1.67 3.52 9.36 -1.26 -4.63 117.16 122.54 1dch n TYR 70 Ca 0.00 0.03 0.06 0.00 3.32 0.00 0.00 57.90 61.30 1dch n TYR 70 Cb 0.00 -1.01 0.11 0.00 -0.63 0.00 0.00 39.34 37.81 1dch n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dch n ASN 71 N -4.26 1.41 -4.59 2.98 0.23 -1.26 -3.80 115.26 105.98 1dch n ASN 71 Ca -0.54 -2.86 -0.35 0.00 -0.53 0.00 0.00 54.58 50.30 1dch n ASN 71 Cb 0.88 -0.38 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 1dch n ASN 71 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1dch s LYS 72 N -1.81 3.89 -0.28 -3.83 1.02 -1.26 -0.73 119.74 116.74 1dch s LYS 72 Ca 0.27 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.89 1dch s LYS 72 Cb 0.26 -3.21 0.06 0.00 -0.52 0.00 0.00 37.83 34.42 1dch s LYS 72 CO -0.04 0.19 -0.05 0.08 -0.92 0.00 0.00 175.35 174.61 1dch s VAL 73 N 0.60 2.48 -0.20 3.17 1.01 0.27 -2.65 120.40 125.08 1dch s VAL 73 Ca 0.03 -1.63 -0.12 0.00 0.00 0.00 0.00 61.98 60.26 1dch s VAL 73 Cb -0.13 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1dch s VAL 73 CO 0.01 -0.12 0.21 -1.00 0.00 0.00 0.00 175.10 174.20 1dch s HIS 74 N 1.13 3.40 -0.12 5.22 3.76 -0.63 0.18 115.29 128.24 1dch s HIS 74 Ca -0.06 0.41 0.03 0.00 -0.15 0.00 0.00 55.06 55.29 1dch s HIS 74 Cb -0.20 -2.28 0.01 0.00 1.11 0.00 0.00 32.58 31.22 1dch s HIS 74 CO -0.04 0.19 -0.20 0.42 -0.85 0.00 0.00 174.74 174.26 1dch s ILE 75 N 0.67 1.82 0.32 0.60 1.01 0.75 -1.33 121.20 125.04 1dch s ILE 75 Ca 0.12 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 60.01 1dch s ILE 75 Cb -0.13 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 1dch s ILE 75 CO 0.02 0.50 0.05 -0.89 0.00 0.00 0.00 174.94 174.63 1dch s THR 76 N 0.77 2.94 -0.17 2.92 2.01 -0.78 -0.36 115.64 122.96 1dch s THR 76 Ca -0.10 -1.87 -0.15 0.00 0.31 0.00 0.00 61.69 59.88 1dch s THR 76 Cb -0.16 -2.86 0.05 0.00 0.01 0.00 0.00 72.50 69.54 1dch s THR 76 CO 0.01 -0.23 0.46 -0.76 -0.69 0.00 0.00 174.62 173.40 1dch s LEU 77 N -3.75 0.18 0.00 4.42 1.43 -0.47 -3.08 118.68 117.42 1dch s LEU 77 Ca 0.35 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.22 1dch s LEU 77 Cb -0.02 1.57 0.06 0.00 0.03 0.00 0.00 46.19 47.83 1dch s LEU 77 CO 0.21 -0.16 0.78 -0.24 0.23 0.00 0.00 176.35 177.16 1dch n SER 78 N 3.00 -1.41 -4.02 2.29 2.88 -1.26 -2.36 113.62 112.74 1dch n SER 78 Ca -0.14 -1.78 -0.31 0.00 -1.33 0.00 0.00 58.87 55.31 1dch n SER 78 Cb 0.57 2.30 -0.15 0.00 -0.75 0.00 0.00 64.21 66.18 1dch n SER 78 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1dch s THR 79 N -2.19 2.11 0.36 2.46 2.01 -0.69 -4.88 115.64 114.81 1dch s THR 79 Ca 0.17 -1.89 0.19 0.00 0.31 0.00 0.00 61.69 60.48 1dch s THR 79 Cb -0.02 -2.38 0.35 0.00 0.01 0.00 0.00 72.50 70.45 1dch s THR 79 CO 0.05 -0.30 1.61 0.45 -0.69 0.00 0.00 174.62 175.74 1dch h HIS 80 N 7.73 0.86 0.00 4.92 3.86 -1.94 3.95 115.15 134.53 1dch h HIS 80 Ca -0.12 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1dch h HIS 80 Cb 1.03 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1dch h HIS 80 CO 0.54 -0.36 0.00 0.39 0.86 0.00 0.00 177.93 179.36 1dch n GLU 81 N -5.16 0.00 0.18 2.45 1.02 -1.26 -2.35 120.64 115.51 1dch n GLU 81 Ca 0.36 0.31 0.14 0.00 -0.02 0.00 0.00 57.16 57.95 1dch n GLU 81 Cb 1.19 -1.20 0.56 0.00 -0.02 0.00 0.00 31.44 31.97 1dch n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dch n ALA 83 N -1.87 -2.31 0.00 0.00 0.00 1.30 -4.93 120.51 112.71 1dch n ALA 83 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1dch n ALA 83 Cb 0.24 -3.72 0.00 0.00 0.00 0.00 0.00 19.45 15.98 1dch n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dch n GLY 84 N -1.42 0.08 3.73 0.00 0.00 -1.15 -4.81 105.19 101.62 1dch n GLY 84 Ca -0.04 -1.47 -0.64 0.00 0.00 0.00 0.00 46.02 43.87 1dch n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dch n LEU 85 N 0.00 1.60 -4.75 0.99 4.77 -1.17 -1.71 117.00 116.73 1dch n LEU 85 Ca 0.00 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.85 1dch n LEU 85 Cb 0.00 -0.97 -0.07 0.00 -2.33 0.00 0.00 43.42 40.05 1dch n LEU 85 CO 0.00 -0.71 -0.18 -0.94 -1.33 0.00 0.00 177.39 174.23 1dch s SER 86 N 3.15 4.25 0.40 -1.43 1.04 -1.26 -2.96 113.70 116.90 1dch s SER 86 Ca 1.03 -1.35 0.15 0.00 0.48 0.00 0.00 55.95 56.26 1dch s SER 86 Cb -1.35 -0.00 1.01 0.00 0.10 0.00 0.00 66.02 65.77 1dch s SER 86 CO 0.76 -0.71 1.87 -0.33 0.98 0.00 0.00 173.24 175.81 1dch h GLU 87 N 1.36 0.46 0.00 4.02 4.39 -1.95 -1.26 114.58 121.61 1dch h GLU 87 Ca -0.42 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 1dch h GLU 87 Cb 1.28 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1dch h GLU 87 CO 0.72 0.31 -0.01 0.07 -1.16 0.00 0.00 179.01 178.93 1dch h ARG 88 N 0.48 0.00 0.16 2.33 -0.00 -1.98 -1.10 114.38 114.28 1dch h ARG 88 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.41 1dch h ARG 88 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.95 1dch h ARG 88 CO -0.17 0.01 -0.08 -0.44 -0.00 0.00 0.00 179.97 179.29 1dch h ASP 89 N 0.00 -0.18 -1.18 0.08 3.32 -1.59 -1.72 116.42 115.15 1dch h ASP 89 Ca -0.00 -0.27 0.37 0.00 0.02 0.00 0.00 57.03 57.14 1dch h ASP 89 Cb 0.03 0.05 -0.12 0.00 0.22 0.00 0.00 39.33 39.51 1dch h ASP 89 CO 0.00 0.38 0.75 0.40 -1.72 0.00 0.00 179.24 179.05 1dch h ILE 90 N -0.96 0.27 -0.34 0.35 2.04 -1.62 1.09 117.51 118.32 1dch h ILE 90 Ca -0.02 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1dch h ILE 90 Cb 0.45 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1dch h ILE 90 CO 0.04 0.04 -0.15 0.78 0.00 0.00 0.00 178.15 178.86 1dch h ASN 91 N 0.21 0.72 0.12 1.72 2.35 -1.20 -0.95 115.58 118.55 1dch h ASN 91 Ca 0.74 -0.40 -0.28 0.00 -0.55 0.00 0.00 56.30 55.81 1dch h ASN 91 Cb 2.12 -0.20 0.03 0.00 0.05 0.00 0.00 38.32 40.32 1dch h ASN 91 CO -0.41 0.96 -1.19 0.25 -1.65 0.00 0.00 177.43 175.39 1dch h LEU 92 N 0.49 0.83 -1.44 1.61 5.85 0.27 -3.13 115.31 119.78 1dch h LEU 92 Ca 0.08 -0.84 0.03 0.00 0.84 0.00 0.00 57.88 57.99 1dch h LEU 92 Cb 0.68 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1dch h LEU 92 CO 0.05 1.58 0.41 0.00 -0.34 0.00 0.00 178.44 180.13 1dch h ALA 93 N 0.26 1.66 0.00 1.25 0.00 0.11 0.28 119.26 122.82 1dch h ALA 93 Ca -0.18 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1dch h ALA 93 Cb 1.87 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1dch h ALA 93 CO 0.23 0.28 -0.27 0.77 0.00 0.00 0.00 179.25 180.26 1dch h SER 94 N 0.74 0.00 0.09 0.00 0.02 -1.24 -1.98 113.55 111.18 1dch h SER 94 Ca 0.24 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1dch h SER 94 Cb 0.06 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.61 1dch h SER 94 CO -0.06 0.27 -0.55 0.15 -1.14 0.00 0.00 176.83 175.50 1dch h PHE 95 N 0.00 0.36 -0.78 3.45 3.57 -1.03 -3.06 116.94 119.44 1dch h PHE 95 Ca -0.00 -0.26 0.17 0.00 3.53 0.00 0.00 57.97 61.40 1dch h PHE 95 Cb 0.77 -0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.38 1dch h PHE 95 CO 0.00 1.21 0.26 0.82 -2.23 0.00 0.00 178.31 178.37 1dch h ILE 96 N -0.58 0.54 -0.02 1.41 2.04 -0.52 -0.87 117.51 119.50 1dch h ILE 96 Ca -0.10 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1dch h ILE 96 Cb 1.43 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1dch h ILE 96 CO 0.10 0.06 -0.01 -0.33 0.00 0.00 0.00 178.15 177.97 1dch h GLU 97 N 0.35 -0.01 -0.39 2.37 4.39 -1.43 0.55 114.58 120.41 1dch h GLU 97 Ca 0.45 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.11 1dch h GLU 97 Cb 0.77 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1dch h GLU 97 CO -0.49 -0.01 0.07 0.37 -1.16 0.00 0.00 179.01 177.80 1dch h GLN 98 N -0.02 0.57 0.03 2.33 -0.00 -1.23 -1.15 115.11 115.65 1dch h GLN 98 Ca 0.01 -0.10 -0.25 0.00 -0.00 0.00 0.00 58.65 58.31 1dch h GLN 98 Cb 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 27.48 27.44 1dch h GLN 98 CO -0.03 0.54 -1.05 0.28 0.00 0.00 0.00 178.83 178.58 1dch h VAL 99 N 0.56 1.35 0.29 2.39 2.07 -0.93 -3.33 116.25 118.65 1dch h VAL 99 Ca 0.13 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.22 1dch h VAL 99 Cb 0.25 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1dch h VAL 99 CO -0.00 0.73 -0.23 0.00 0.02 0.00 0.00 177.57 178.09 1dch h ALA 100 N 0.55 -0.52 0.00 1.67 0.00 0.13 0.26 119.26 121.35 1dch h ALA 100 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1dch h ALA 100 Cb 1.70 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1dch h ALA 100 CO 0.19 -0.81 0.61 0.28 0.00 0.00 0.00 179.25 179.52 1dch h VAL 101 N -0.53 0.00 0.00 0.00 2.07 -1.55 -3.23 116.25 113.01 1dch h VAL 101 Ca -0.02 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.31 1dch h VAL 101 Cb 0.47 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1dch h VAL 101 CO -0.02 0.00 -1.44 -0.24 0.02 0.00 0.00 177.57 175.90 1dch n SER 102 N -2.50 1.91 -3.31 0.57 2.88 0.91 -4.95 113.62 109.12 1dch n SER 102 Ca -0.01 0.41 -0.31 0.00 -1.33 0.00 0.00 58.87 57.63 1dch n SER 102 Cb 0.63 -0.83 0.29 0.00 -0.75 0.00 0.00 64.21 63.55 1dch n SER 102 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1dch n MET 103 N -4.42 -4.51 0.00 -1.46 0.00 -1.14 -5.13 117.12 100.45 1dch n MET 103 Ca -0.29 -1.56 0.00 0.00 0.00 0.00 0.00 57.70 55.85 1dch n MET 103 Cb 0.61 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 31.97 1dch n MET 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38