#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dch s ARG 7 N 0.00 3.84 0.71 -1.40 0.52 -1.24 -4.60 118.95 116.78 1dch s ARG 7 Ca 0.00 2.38 -0.17 0.00 -0.52 0.00 0.00 55.73 57.42 1dch s ARG 7 Cb 0.00 -4.21 -0.09 0.00 0.52 0.00 0.00 34.95 31.17 1dch s ARG 7 CO 0.00 -1.29 0.09 1.28 0.02 0.00 0.00 175.30 175.40 1dch n LEU 8 N 8.73 -1.79 -4.88 2.53 4.77 -1.22 -5.00 117.00 120.14 1dch n LEU 8 Ca 0.22 0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 56.53 1dch n LEU 8 Cb 0.42 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1dch n LEU 8 CO 0.67 -4.16 -0.02 -0.94 -1.33 0.00 0.00 177.39 171.61 1dch s SER 9 N -1.25 5.23 0.20 -1.43 1.04 -1.26 -4.80 113.70 111.43 1dch s SER 9 Ca 0.58 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1dch s SER 9 Cb -0.36 -0.77 0.28 0.00 0.10 0.00 0.00 66.02 65.27 1dch s SER 9 CO 0.65 -0.53 1.22 0.00 0.98 0.00 0.00 173.24 175.57 1dch n ALA 10 N -1.50 0.06 0.21 5.32 0.00 -1.26 0.16 120.51 123.49 1dch n ALA 10 Ca 0.01 0.83 -0.08 0.00 0.00 0.00 0.00 53.44 54.20 1dch n ALA 10 Cb 0.61 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 1dch n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dch h GLU 11 N 0.00 -0.52 -1.12 0.00 4.81 -1.96 0.14 114.58 115.93 1dch h GLU 11 Ca 0.33 0.04 0.32 0.00 -0.13 0.00 0.00 59.36 59.91 1dch h GLU 11 Cb 0.53 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 1dch h GLU 11 CO -0.80 -0.35 0.79 1.49 -0.73 0.00 0.00 179.01 179.41 1dch h GLU 12 N -0.70 0.10 0.02 1.92 4.81 -0.58 4.37 114.58 124.51 1dch h GLU 12 Ca -0.06 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1dch h GLU 12 Cb 0.41 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1dch h GLU 12 CO 0.09 0.07 -0.58 0.00 -0.73 0.00 0.00 179.01 177.85 1dch h ARG 13 N 0.10 0.37 -0.57 1.92 3.08 0.16 -2.63 114.38 116.81 1dch h ARG 13 Ca 0.56 -0.42 0.13 0.00 0.07 0.00 0.00 59.98 60.33 1dch h ARG 13 Cb 2.03 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 32.17 1dch h ARG 13 CO -0.09 1.10 0.39 -0.44 -1.07 0.00 0.00 179.97 179.86 1dch h ASP 14 N -0.19 0.19 0.18 7.04 3.32 1.07 1.12 116.42 129.15 1dch h ASP 14 Ca -0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1dch h ASP 14 Cb 1.32 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1dch h ASP 14 CO 0.11 0.11 -0.82 0.00 -1.72 0.00 0.00 179.24 176.92 1dch n GLN 15 N -4.44 0.01 -0.09 3.56 10.64 0.45 -3.92 117.38 123.60 1dch n GLN 15 Ca 0.10 -0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.15 1dch n GLN 15 Cb 0.49 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.28 1dch n GLN 15 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1dch n LEU 16 N -1.49 2.27 0.01 2.61 4.77 -0.76 -4.72 117.00 119.69 1dch n LEU 16 Ca 0.05 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1dch n LEU 16 Cb 0.33 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1dch n LEU 16 CO 0.40 0.70 0.82 -0.07 -1.33 0.00 0.00 177.39 177.92 1dch h LEU 17 N 0.00 0.04 -0.78 2.23 3.38 0.11 -3.37 115.31 116.92 1dch h LEU 17 Ca -0.41 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 57.60 1dch h LEU 17 Cb 1.70 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 42.29 1dch h LEU 17 CO -0.04 0.15 -0.19 -0.81 0.09 0.00 0.00 178.44 177.64 1dch n PRO 18 N -5.01 -0.07 0.07 1.13 -0.04 -1.25 -1.53 135.00 128.31 1dch n PRO 18 Ca -0.07 1.21 -0.12 0.00 -0.04 0.00 0.00 63.50 64.49 1dch n PRO 18 Cb 0.09 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 1dch n PRO 18 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1dch h ASN 19 N 0.00 -0.68 -0.05 3.54 2.35 -1.93 0.86 115.58 119.67 1dch h ASN 19 Ca 0.38 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 56.24 1dch h ASN 19 Cb 0.58 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 1dch h ASN 19 CO -0.80 -0.31 -0.12 -0.07 -1.65 0.00 0.00 177.43 174.49 1dch h LEU 20 N -0.39 -0.35 -0.97 1.61 3.38 -1.52 -0.90 115.31 116.18 1dch h LEU 20 Ca 0.05 0.06 0.32 0.00 0.09 0.00 0.00 57.88 58.40 1dch h LEU 20 Cb 0.45 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.19 1dch h LEU 20 CO -0.19 -0.16 0.36 0.03 0.09 0.00 0.00 178.44 178.57 1dch h ARG 21 N -0.17 0.11 0.00 1.13 3.08 -0.85 3.77 114.38 121.46 1dch h ARG 21 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1dch h ARG 21 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1dch h ARG 21 CO -0.15 0.08 -0.17 0.00 -1.07 0.00 0.00 179.97 178.65 1dch h ALA 22 N 1.92 0.89 -0.09 0.04 0.00 0.50 -3.16 119.26 119.36 1dch h ALA 22 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1dch h ALA 22 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1dch h ALA 22 CO -0.75 0.00 0.00 0.28 0.00 0.00 0.00 179.25 178.78 1dch n VAL 23 N -2.37 0.11 0.00 0.00 0.31 1.24 -4.91 118.33 112.71 1dch n VAL 23 Ca 0.05 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1dch n VAL 23 Cb 0.45 0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 1dch n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dch n GLY 24 N 1.15 1.13 3.51 2.92 0.00 -0.70 -5.07 105.19 108.12 1dch n GLY 24 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.04 -0.05 1.61 0.52 -1.15 -4.66 118.94 116.24 1dch s TRP 25 Ca 0.00 -0.13 -0.30 0.00 0.02 0.00 0.00 56.10 55.69 1dch s TRP 25 Cb 0.00 -3.46 -0.03 0.00 -1.15 0.00 0.00 33.47 28.84 1dch s TRP 25 CO 0.00 -0.95 1.08 -0.80 0.02 0.00 0.00 176.95 176.31 1dch s ASN 26 N 2.20 7.19 -0.36 2.95 0.01 0.77 -4.40 114.94 123.30 1dch s ASN 26 Ca 0.22 1.69 -0.28 0.00 -0.71 0.00 0.00 52.86 53.78 1dch s ASN 26 Cb -0.15 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 38.97 1dch s ASN 26 CO 0.18 -0.46 1.06 -1.61 -1.51 0.00 0.00 177.10 174.75 1dch s GLU 27 N 1.81 3.95 0.60 -0.60 2.02 -1.26 -0.46 118.70 124.76 1dch s GLU 27 Ca 0.52 0.87 -0.14 0.00 0.02 0.00 0.00 54.97 56.24 1dch s GLU 27 Cb -0.22 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 1dch s GLU 27 CO 0.22 -1.01 1.03 -0.48 0.02 0.00 0.00 175.26 175.05 1dch s LEU 28 N 3.78 3.40 -0.23 1.80 0.05 0.84 -4.96 118.68 123.36 1dch s LEU 28 Ca 0.44 1.64 0.08 0.00 0.05 0.00 0.00 54.13 56.34 1dch s LEU 28 Cb -0.11 -4.51 -0.19 0.00 -2.05 0.00 0.00 46.19 39.33 1dch s LEU 28 CO 0.19 -1.02 -0.11 -0.62 -0.55 0.00 0.00 176.35 174.24 1dch n GLU 29 N -2.28 0.69 -0.28 1.48 1.02 -1.26 -4.01 120.64 116.01 1dch n GLU 29 Ca 0.07 0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.27 1dch n GLU 29 Cb 0.53 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.54 1dch n GLU 29 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1dch h GLY 30 N 2.67 1.10 -1.99 0.62 0.00 -1.98 -3.43 103.07 100.06 1dch h GLY 30 Ca -0.55 -0.37 -0.60 0.00 0.00 0.00 0.00 47.33 45.81 1dch h GLY 30 CO -0.04 0.32 -0.63 1.09 0.00 0.00 0.00 176.54 177.28 1dch s ARG 31 N -6.11 1.98 -0.57 4.80 1.70 -1.26 -5.09 118.95 114.39 1dch s ARG 31 Ca -0.13 -1.86 -0.21 0.00 -0.47 0.00 0.00 55.73 53.06 1dch s ARG 31 Cb 0.16 -1.82 0.07 0.00 -0.57 0.00 0.00 34.95 32.79 1dch s ARG 31 CO 0.78 0.11 0.79 0.34 -1.08 0.00 0.00 175.30 176.24 1dch s ASP 32 N -3.68 6.23 -0.00 -2.89 -1.08 -1.26 -4.63 116.67 109.35 1dch s ASP 32 Ca 0.34 -0.92 -0.28 0.00 -0.52 0.00 0.00 52.55 51.17 1dch s ASP 32 Cb 0.02 -2.35 0.09 0.00 -1.46 0.00 0.00 42.92 39.22 1dch s ASP 32 CO 0.18 -1.14 0.81 0.00 0.52 0.00 0.00 175.17 175.54 1dch s ALA 33 N 3.27 -1.78 0.03 3.66 0.00 -1.26 -4.31 121.76 121.36 1dch s ALA 33 Ca 0.19 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.26 1dch s ALA 33 Cb -0.18 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1dch s ALA 33 CO 0.12 -0.60 -0.19 0.96 0.00 0.00 0.00 175.76 176.05 1dch s ILE 34 N -2.64 1.55 -0.03 0.00 -4.36 -1.19 -0.11 121.20 114.41 1dch s ILE 34 Ca 0.01 -1.06 -0.07 0.00 -0.26 0.00 0.00 60.65 59.26 1dch s ILE 34 Cb -0.01 -1.34 0.01 0.00 1.25 0.00 0.00 42.46 42.37 1dch s ILE 34 CO -0.05 0.25 0.17 0.72 0.24 0.00 0.00 174.94 176.27 1dch s PHE 35 N -0.70 -0.08 0.02 1.37 -0.71 0.39 -2.28 117.98 115.99 1dch s PHE 35 Ca 0.07 0.17 0.04 0.00 -1.04 0.00 0.00 56.93 56.17 1dch s PHE 35 Cb -0.08 0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.72 1dch s PHE 35 CO 0.01 -0.21 -0.12 0.21 -1.34 0.00 0.00 175.22 173.76 1dch s LYS 36 N -0.74 0.89 -0.37 1.99 2.20 -0.25 -0.16 119.74 123.30 1dch s LYS 36 Ca -0.08 -0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 1dch s LYS 36 Cb -0.05 -0.86 0.03 0.00 -1.51 0.00 0.00 37.83 35.44 1dch s LYS 36 CO 0.01 0.22 0.19 -1.14 -0.36 0.00 0.00 175.35 174.28 1dch s GLN 37 N -0.83 2.77 0.25 4.03 0.74 -1.26 0.69 119.66 126.04 1dch s GLN 37 Ca 0.02 -1.12 -0.06 0.00 0.05 0.00 0.00 55.36 54.24 1dch s GLN 37 Cb -0.07 -3.69 -0.06 0.00 1.10 0.00 0.00 33.01 30.29 1dch s GLN 37 CO 0.01 -0.71 0.52 -0.06 -0.55 0.00 0.00 175.29 174.50 1dch s PHE 38 N 1.52 3.46 -0.23 1.67 0.40 0.35 -4.97 117.98 120.18 1dch s PHE 38 Ca 0.01 0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 57.01 1dch s PHE 38 Cb -0.19 -2.13 0.12 0.00 0.51 0.00 0.00 43.02 41.32 1dch s PHE 38 CO 0.06 0.24 0.31 -1.58 0.70 0.00 0.00 175.22 174.96 1dch s HIS 39 N -1.94 -0.60 0.55 0.36 2.46 -1.26 -1.72 115.29 113.14 1dch s HIS 39 Ca 0.44 0.55 0.09 0.00 0.47 0.00 0.00 55.06 56.62 1dch s HIS 39 Cb -0.11 -0.15 0.09 0.00 -0.13 0.00 0.00 32.58 32.28 1dch s HIS 39 CO 0.26 -0.68 0.75 1.19 -2.47 0.00 0.00 174.74 173.79 1dch n PHE 40 N 5.34 -2.32 0.12 3.88 3.72 0.23 -4.97 117.46 123.45 1dch n PHE 40 Ca -0.04 -1.99 -0.24 0.00 -0.05 0.00 0.00 57.45 55.13 1dch n PHE 40 Cb 0.50 -0.52 -0.16 0.00 -0.94 0.00 0.00 39.48 38.36 1dch n PHE 40 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1dch h LYS 41 N 0.00 0.47 0.00 -1.08 1.57 -1.97 -3.44 116.57 112.12 1dch h LYS 41 Ca -0.26 -0.81 -0.45 0.00 -1.87 0.00 0.00 60.65 57.26 1dch h LYS 41 Cb 1.17 0.30 -0.12 0.00 0.08 0.00 0.00 32.23 33.67 1dch h LYS 41 CO 0.36 1.39 -0.42 -0.40 -0.57 0.00 0.00 179.45 179.82 1dch n ASP 42 N -3.82 -0.84 0.09 0.86 5.75 -1.26 -4.91 116.55 112.41 1dch n ASP 42 Ca -0.17 -3.18 -0.04 0.00 -0.01 0.00 0.00 54.79 51.39 1dch n ASP 42 Cb 1.03 1.86 -0.02 0.00 -1.03 0.00 0.00 41.12 42.96 1dch n ASP 42 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1dch h PHE 43 N 2.08 0.00 -0.04 2.11 3.57 -1.94 -3.25 116.94 119.48 1dch h PHE 43 Ca -0.24 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.29 1dch h PHE 43 Cb 1.22 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 1dch h PHE 43 CO 0.00 0.85 -0.34 -0.97 -2.23 0.00 0.00 178.31 175.62 1dch h ASN 44 N 0.00 -1.04 -0.48 0.41 -0.73 -1.96 -1.89 115.58 109.90 1dch h ASN 44 Ca -0.01 0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 1dch h ASN 44 Cb 1.54 0.42 -0.03 0.00 0.27 0.00 0.00 38.32 40.53 1dch h ASN 44 CO 0.11 -0.39 0.23 0.03 -0.37 0.00 0.00 177.43 177.04 1dch h ARG 45 N -0.47 0.73 0.25 6.67 -0.00 -1.98 0.60 114.38 120.18 1dch h ARG 45 Ca 0.07 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 1dch h ARG 45 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.41 1dch h ARG 45 CO -0.30 0.58 -0.12 0.00 0.00 0.00 0.00 179.97 180.13 1dch h ALA 46 N 1.53 -0.34 -0.56 0.04 0.00 -1.55 -2.15 119.26 116.23 1dch h ALA 46 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dch h ALA 46 Cb 0.11 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1dch h ALA 46 CO -0.02 -0.43 0.22 0.35 0.00 0.00 0.00 179.25 179.38 1dch h PHE 47 N -0.86 0.80 -0.73 0.00 3.57 -1.39 -0.42 116.94 117.92 1dch h PHE 47 Ca -0.03 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.54 1dch h PHE 47 Cb 0.51 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 1dch h PHE 47 CO 0.05 0.62 0.32 0.78 -2.23 0.00 0.00 178.31 177.85 1dch h GLY 48 N 0.92 1.09 1.55 2.40 0.00 -0.86 0.14 103.07 108.31 1dch h GLY 48 Ca 0.19 -0.18 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 1dch h GLY 48 CO -0.02 -0.03 -1.02 -2.75 0.00 0.00 0.00 176.54 172.72 1dch h PHE 49 N 0.51 0.60 -0.73 5.60 3.57 -0.89 -2.88 116.94 122.73 1dch h PHE 49 Ca 0.38 -0.35 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1dch h PHE 49 Cb 0.50 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1dch h PHE 49 CO -0.14 1.19 0.25 0.52 -2.23 0.00 0.00 178.31 177.90 1dch h MET 50 N 0.20 1.10 -0.28 1.11 2.86 0.23 -1.87 114.93 118.28 1dch h MET 50 Ca -0.10 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.37 1dch h MET 50 Cb 1.68 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 33.12 1dch h MET 50 CO 0.18 0.92 0.02 1.15 1.06 0.00 0.00 176.91 180.24 1dch h THR 51 N 1.07 0.82 0.00 2.22 2.02 -0.66 0.20 112.91 118.59 1dch h THR 51 Ca 0.24 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 1dch h THR 51 Cb 0.26 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1dch h THR 51 CO -0.01 0.02 -0.21 0.08 0.37 0.00 0.00 175.52 175.77 1dch h ARG 52 N 0.11 0.00 0.00 6.66 0.11 -1.27 -2.73 114.38 117.26 1dch h ARG 52 Ca 0.13 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.99 1dch h ARG 52 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1dch h ARG 52 CO -0.21 0.21 -0.94 0.28 0.10 0.00 0.00 179.97 179.41 1dch h VAL 53 N 0.00 1.41 0.00 0.08 2.07 -1.10 -3.25 116.25 115.46 1dch h VAL 53 Ca -0.00 -2.48 -0.05 0.00 0.82 0.00 0.00 66.70 64.98 1dch h VAL 53 Cb 0.92 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1dch h VAL 53 CO 0.03 0.74 -0.26 0.00 0.02 0.00 0.00 177.57 178.10 1dch h ALA 54 N 0.76 1.16 -1.11 1.67 0.00 -0.44 -2.16 119.26 119.14 1dch h ALA 54 Ca -0.08 -0.23 -0.69 0.00 0.00 0.00 0.00 54.91 53.90 1dch h ALA 54 Cb 1.58 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 19.01 1dch h ALA 54 CO 0.16 0.32 0.44 1.47 0.00 0.00 0.00 179.25 181.64 1dch n LEU 55 N -3.63 6.65 0.00 0.00 -0.00 -1.04 -2.76 117.00 116.22 1dch n LEU 55 Ca -0.01 -4.84 0.00 0.00 -0.00 0.00 0.00 56.01 51.16 1dch n LEU 55 Cb 0.38 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.96 1dch n LEU 55 CO 0.34 1.86 0.00 1.67 -0.00 0.00 0.00 177.39 181.26 1dch n GLN 56 N -0.60 0.00 0.00 1.47 -0.06 -1.24 -4.49 117.38 112.47 1dch n GLN 56 Ca 0.51 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 55.41 1dch n GLN 56 Cb 0.46 -0.05 -0.03 0.00 -4.06 0.00 0.00 30.24 26.56 1dch n GLN 56 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dch h ALA 57 N 0.00 -0.07 -0.53 1.69 0.00 -1.48 2.48 119.26 121.36 1dch h ALA 57 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1dch h ALA 57 Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1dch h ALA 57 CO 0.00 -0.59 -0.03 0.93 0.00 0.00 0.00 179.25 179.55 1dch h GLU 58 N -0.18 0.97 -0.68 0.00 4.39 -1.78 0.78 114.58 118.08 1dch h GLU 58 Ca 0.09 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 1dch h GLU 58 Cb 0.30 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1dch h GLU 58 CO -0.22 0.99 0.23 -0.22 -1.16 0.00 0.00 179.01 178.64 1dch h LYS 59 N 0.84 1.05 0.07 2.33 1.63 -1.44 -2.36 116.57 118.69 1dch h LYS 59 Ca 0.15 -0.22 -0.24 0.00 -0.85 0.00 0.00 60.65 59.49 1dch h LYS 59 Cb 0.58 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1dch h LYS 59 CO 0.03 0.90 -1.13 -0.07 -3.45 0.00 0.00 179.45 175.73 1dch h LEU 60 N 0.99 0.23 -2.45 5.20 3.38 0.44 -3.48 115.31 119.62 1dch h LEU 60 Ca 0.22 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1dch h LEU 60 Cb 0.27 -0.08 0.10 0.00 0.09 0.00 0.00 40.66 41.05 1dch h LEU 60 CO -0.01 1.19 -0.45 -0.67 0.09 0.00 0.00 178.44 178.60 1dch n ASP 61 N -3.45 -3.77 -3.34 -0.43 2.03 0.26 -5.05 116.55 102.80 1dch n ASP 61 Ca -0.05 -0.37 -0.11 0.00 0.52 0.00 0.00 54.79 54.79 1dch n ASP 61 Cb 0.98 -3.01 -0.07 0.00 -0.72 0.00 0.00 41.12 38.30 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 -0.85 0.19 -0.67 2.46 -0.50 -5.03 115.29 107.69 1dch s HIS 62 Ca 0.17 0.37 -0.09 0.00 0.47 0.00 0.00 55.06 55.98 1dch s HIS 62 Cb -0.02 -0.17 -0.07 0.00 -0.13 0.00 0.00 32.58 32.19 1dch s HIS 62 CO 0.39 -0.89 0.51 -1.01 -2.47 0.00 0.00 174.74 171.27 1dch s HIS 63 N 2.51 3.47 0.85 3.88 3.76 -1.26 -4.50 115.29 124.00 1dch s HIS 63 Ca 0.10 0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 55.77 1dch s HIS 63 Cb -0.14 -2.22 0.18 0.00 1.11 0.00 0.00 32.58 31.51 1dch s HIS 63 CO -0.26 0.34 1.16 -1.25 -0.85 0.00 0.00 174.74 173.87 1dch s PRO 64 N -2.61 1.07 -0.37 8.40 0.04 -1.26 -4.82 135.00 135.45 1dch s PRO 64 Ca 0.44 -0.91 0.03 0.00 0.04 0.00 0.00 61.00 60.60 1dch s PRO 64 Cb -0.12 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 32.41 1dch s PRO 64 CO 0.21 -1.97 0.10 -1.83 0.04 0.00 0.00 177.00 173.55 1dch s GLU 65 N -5.50 1.43 0.27 4.56 -1.05 -0.90 -5.03 118.70 112.46 1dch s GLU 65 Ca 0.71 -1.88 0.11 0.00 -0.15 0.00 0.00 54.97 53.76 1dch s GLU 65 Cb -0.04 -2.98 -0.05 0.00 -0.44 0.00 0.00 34.13 30.62 1dch s GLU 65 CO 0.49 -0.99 -0.18 1.67 0.95 0.00 0.00 175.26 177.20 1dch s TRP 66 N 0.79 2.18 0.01 4.83 -2.14 -1.26 -2.80 118.94 120.54 1dch s TRP 66 Ca 0.12 -0.39 0.02 0.00 2.66 0.00 0.00 56.10 58.52 1dch s TRP 66 Cb -0.20 -0.97 -0.01 0.00 -3.10 0.00 0.00 33.47 29.19 1dch s TRP 66 CO -0.09 0.64 -0.07 0.12 -2.66 0.00 0.00 176.95 174.89 1dch s PHE 67 N -2.61 0.63 0.01 1.66 2.19 -0.93 -4.97 117.98 113.95 1dch s PHE 67 Ca 0.29 -0.19 -0.08 0.00 0.33 0.00 0.00 56.93 57.28 1dch s PHE 67 Cb -0.04 -0.40 0.00 0.00 -1.31 0.00 0.00 43.02 41.28 1dch s PHE 67 CO 0.13 -0.02 0.14 1.21 1.83 0.00 0.00 175.22 178.52 1dch s ASN 68 N -0.47 0.03 0.00 6.13 3.04 -1.26 -1.68 114.94 120.73 1dch s ASN 68 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 52.86 52.67 1dch s ASN 68 Cb -0.04 0.21 0.00 0.00 -1.54 0.00 0.00 41.25 39.88 1dch s ASN 68 CO -0.00 -0.40 0.00 0.52 -3.04 0.00 0.00 177.10 174.18 1dch n VAL 69 N 1.34 0.00 0.00 -5.21 0.31 -1.19 -5.02 118.33 108.56 1dch n VAL 69 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1dch n VAL 69 Cb 0.56 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.00 -2.17 3.52 9.36 -1.26 -4.88 117.16 121.73 1dch n TYR 70 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 1dch n TYR 70 Cb 0.00 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.73 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 -0.93 5.14 -3.68 2.98 6.94 -1.26 -4.55 115.26 119.89 1dch n ASN 71 Ca 0.00 -3.74 -0.10 0.00 -0.02 0.00 0.00 54.58 50.72 1dch n ASN 71 Cb 0.00 -0.47 -0.10 0.00 -2.36 0.00 0.00 39.78 36.85 1dch n ASN 71 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1dch s LYS 72 N -3.61 0.46 -0.25 -3.83 -2.85 -1.26 -0.60 119.74 107.79 1dch s LYS 72 Ca 0.51 0.88 -0.02 0.00 -1.00 0.00 0.00 55.97 56.34 1dch s LYS 72 Cb 0.41 0.02 0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1dch s LYS 72 CO -0.08 -0.15 -0.06 0.08 0.10 0.00 0.00 175.35 175.23 1dch s VAL 73 N 1.43 2.89 -0.20 1.79 1.01 -0.70 -3.16 120.40 123.46 1dch s VAL 73 Ca -0.09 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 1dch s VAL 73 Cb -0.08 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1dch s VAL 73 CO -0.14 0.21 0.57 -2.28 0.00 0.00 0.00 175.10 173.46 1dch s HIS 74 N 1.33 3.37 -0.07 5.22 5.04 -0.67 -0.50 115.29 129.01 1dch s HIS 74 Ca 0.00 0.84 0.03 0.00 -1.54 0.00 0.00 55.06 54.39 1dch s HIS 74 Cb -0.17 -2.74 -0.02 0.00 0.04 0.00 0.00 32.58 29.69 1dch s HIS 74 CO -0.04 -0.15 -0.14 0.42 -2.34 0.00 0.00 174.74 172.49 1dch s ILE 75 N 1.81 3.07 0.00 0.89 1.01 0.22 -2.20 121.20 126.00 1dch s ILE 75 Ca 0.26 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1dch s ILE 75 Cb -0.16 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 1dch s ILE 75 CO 0.10 0.58 -0.19 -0.89 0.00 0.00 0.00 174.94 174.53 1dch s THR 76 N -0.48 1.53 -0.03 2.92 2.01 -1.12 -1.09 115.64 119.38 1dch s THR 76 Ca 0.06 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.18 1dch s THR 76 Cb -0.12 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 1dch s THR 76 CO 0.02 0.36 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.42 1dch s LEU 77 N -0.65 1.89 0.00 4.42 1.43 -0.97 -2.13 118.68 122.68 1dch s LEU 77 Ca 0.07 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 1dch s LEU 77 Cb -0.08 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.43 1dch s LEU 77 CO -0.00 0.12 0.31 -0.55 0.23 0.00 0.00 176.35 176.46 1dch s SER 78 N 0.02 -0.18 0.38 2.29 0.15 -1.26 -3.20 113.70 111.90 1dch s SER 78 Ca -0.01 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.42 1dch s SER 78 Cb -0.09 0.33 -0.10 0.00 -1.71 0.00 0.00 66.02 64.45 1dch s SER 78 CO 0.01 -0.50 0.93 -0.89 1.20 0.00 0.00 173.24 173.99 1dch s THR 79 N -1.70 4.35 -0.21 6.45 2.01 0.13 -4.95 115.64 121.71 1dch s THR 79 Ca -0.11 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1dch s THR 79 Cb -0.04 -3.75 -0.13 0.00 0.01 0.00 0.00 72.50 68.59 1dch s THR 79 CO 0.02 -0.14 -0.20 1.57 -0.69 0.00 0.00 174.62 175.19 1dch n HIS 80 N -0.17 0.00 -0.35 4.92 -0.00 -1.26 -2.64 115.22 115.72 1dch n HIS 80 Ca 0.05 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.12 1dch n HIS 80 Cb 0.52 -0.81 -0.10 0.00 -0.12 0.00 0.00 29.99 29.49 1dch n HIS 80 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1dch h GLU 81 N -0.08 -0.07 0.00 1.57 4.81 -1.95 -3.31 114.58 115.54 1dch h GLU 81 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1dch h GLU 81 Cb 1.71 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.10 1dch h GLU 81 CO -0.10 -0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.13 1dch n ALA 83 N -3.00 0.00 -2.29 0.00 0.00 -1.25 -5.00 120.51 108.97 1dch n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dch n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 4.01 3.81 0.00 0.00 -1.08 -4.51 105.19 107.43 1dch n GLY 84 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1dch n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dch s LEU 85 N 0.00 2.49 -0.02 0.99 1.43 -1.26 0.21 118.68 122.52 1dch s LEU 85 Ca 0.00 1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 54.00 1dch s LEU 85 Cb 0.00 -3.75 0.11 0.00 0.03 0.00 0.00 46.19 42.57 1dch s LEU 85 CO 0.00 -2.04 0.99 -0.94 0.23 0.00 0.00 176.35 174.59 1dch s SER 86 N -4.00 -0.27 0.25 2.29 1.04 -1.26 -3.37 113.70 108.38 1dch s SER 86 Ca 0.61 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.86 1dch s SER 86 Cb -0.14 0.33 0.37 0.00 0.10 0.00 0.00 66.02 66.69 1dch s SER 86 CO 0.54 -0.56 1.58 -0.33 0.98 0.00 0.00 173.24 175.44 1dch h GLU 87 N 2.00 -0.01 -0.89 4.02 4.39 -1.98 0.50 114.58 122.62 1dch h GLU 87 Ca -0.20 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.74 1dch h GLU 87 Cb 1.22 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.73 1dch h GLU 87 CO 0.28 -0.00 0.26 0.00 -1.16 0.00 0.00 179.01 178.39 1dch h ARG 88 N -0.01 0.21 0.65 2.33 3.08 -1.97 1.63 114.38 120.31 1dch h ARG 88 Ca 0.41 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.42 1dch h ARG 88 Cb 0.64 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.65 1dch h ARG 88 CO -0.91 0.14 -0.31 -0.44 -1.07 0.00 0.00 179.97 177.38 1dch h ASP 89 N 0.22 -0.74 -1.25 7.04 3.32 -0.42 -0.78 116.42 123.82 1dch h ASP 89 Ca 0.56 0.02 0.37 0.00 0.02 0.00 0.00 57.03 58.00 1dch h ASP 89 Cb 1.15 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.79 1dch h ASP 89 CO -0.65 -0.35 0.84 0.40 -1.72 0.00 0.00 179.24 177.76 1dch h ILE 90 N -1.22 0.30 0.23 0.35 1.08 0.12 -0.37 117.51 118.01 1dch h ILE 90 Ca -0.09 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1dch h ILE 90 Cb 0.67 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1dch h ILE 90 CO 0.15 0.03 -0.11 -1.13 -0.69 0.00 0.00 178.15 176.39 1dch h ASN 91 N 0.17 -0.27 -0.00 1.72 -0.00 0.23 -2.98 115.58 114.45 1dch h ASN 91 Ca 0.71 -0.23 -0.06 0.00 -0.00 0.00 0.00 56.30 56.71 1dch h ASN 91 Cb 2.25 0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 40.62 1dch h ASN 91 CO -0.27 0.24 -0.14 0.25 -0.00 0.00 0.00 177.43 177.52 1dch h LEU 92 N -0.94 0.28 -0.43 0.34 5.85 -0.71 -2.61 115.31 117.09 1dch h LEU 92 Ca -0.03 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 1dch h LEU 92 Cb 0.48 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1dch h LEU 92 CO 0.05 0.45 -0.45 0.00 -0.34 0.00 0.00 178.44 178.15 1dch h ALA 93 N 1.59 0.61 -0.53 1.25 0.00 -1.16 0.14 119.26 121.15 1dch h ALA 93 Ca 0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1dch h ALA 93 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1dch h ALA 93 CO 0.02 0.68 0.27 0.77 0.00 0.00 0.00 179.25 180.99 1dch h SER 94 N 0.66 0.68 -0.30 0.00 0.02 -1.53 -1.76 113.55 111.31 1dch h SER 94 Ca 0.04 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1dch h SER 94 Cb 1.03 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1dch h SER 94 CO 0.10 0.60 0.19 0.15 -1.14 0.00 0.00 176.83 176.73 1dch h PHE 95 N 0.71 0.37 -0.09 3.45 3.04 -1.00 -1.73 116.94 121.69 1dch h PHE 95 Ca 0.18 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.17 1dch h PHE 95 Cb 0.09 -0.12 -0.06 0.00 2.56 0.00 0.00 35.95 38.41 1dch h PHE 95 CO -0.01 0.23 -0.49 0.82 -2.02 0.00 0.00 178.31 176.84 1dch h ILE 96 N 0.40 0.06 -0.78 1.41 1.08 -0.63 -1.29 117.51 117.75 1dch h ILE 96 Ca 0.11 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.80 1dch h ILE 96 Cb -0.04 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.74 1dch h ILE 96 CO -0.03 0.00 0.69 -0.33 -0.69 0.00 0.00 178.15 177.79 1dch h GLU 97 N -0.58 0.00 0.01 2.37 4.39 -1.00 0.11 114.58 119.87 1dch h GLU 97 Ca 0.04 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.51 1dch h GLU 97 Cb 0.68 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1dch h GLU 97 CO -0.40 0.00 -0.92 -0.56 -1.16 0.00 0.00 179.01 175.97 1dch h GLN 98 N 0.00 0.61 0.67 2.33 3.07 -0.32 -3.34 115.11 118.13 1dch h GLN 98 Ca 0.37 -0.67 -0.03 0.00 0.09 0.00 0.00 58.65 58.41 1dch h GLN 98 Cb 1.74 0.19 -0.01 0.00 0.08 0.00 0.00 27.48 29.48 1dch h GLN 98 CO -0.00 1.27 -0.43 0.28 0.09 0.00 0.00 178.83 180.03 1dch h VAL 99 N 0.23 0.13 -0.71 1.86 2.07 -0.98 -3.01 116.25 115.84 1dch h VAL 99 Ca -0.12 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.61 1dch h VAL 99 Cb 1.59 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1dch h VAL 99 CO 0.18 0.00 0.67 0.00 0.02 0.00 0.00 177.57 178.45 1dch h ALA 100 N -0.83 2.53 0.04 1.67 0.00 -0.97 -1.86 119.26 119.84 1dch h ALA 100 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dch h ALA 100 Cb 0.85 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dch h ALA 100 CO 0.07 -1.04 -0.02 0.28 0.00 0.00 0.00 179.25 178.54 1dch h VAL 101 N 0.00 1.30 -0.70 0.00 2.07 -1.64 -1.28 116.25 116.00 1dch h VAL 101 Ca 0.34 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.73 1dch h VAL 101 Cb 1.68 2.09 -0.11 0.00 -1.52 0.00 0.00 31.29 33.44 1dch h VAL 101 CO -0.00 0.30 -0.52 0.77 0.02 0.00 0.00 177.57 178.14 1dch h SER 102 N -0.61 -1.83 0.00 0.57 4.64 -1.40 -3.28 113.55 111.63 1dch h SER 102 Ca -0.01 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1dch h SER 102 Cb 0.54 0.81 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1dch h SER 102 CO 0.01 -0.32 0.00 0.23 -0.87 0.00 0.00 176.83 175.88 1dch n MET 103 N -5.35 0.00 0.00 4.77 2.81 -1.15 -5.16 117.12 113.04 1dch n MET 103 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1dch n MET 103 Cb 0.32 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 1dch n MET 103 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73