#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 0.60 -0.70 -1.40 0.52 -1.26 -4.28 118.95 112.43 1dch s ARG 7 Ca 0.00 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 54.57 1dch s ARG 7 Cb 0.00 0.25 0.18 0.00 0.52 0.00 0.00 34.95 35.90 1dch s ARG 7 CO 0.00 -0.16 0.62 -0.51 0.02 0.00 0.00 175.30 175.27 1dch s LEU 8 N -1.76 6.29 0.23 2.53 1.43 -0.97 -4.98 118.68 121.46 1dch s LEU 8 Ca -0.10 -2.46 -0.03 0.00 -1.03 0.00 0.00 54.13 50.52 1dch s LEU 8 Cb -0.04 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1dch s LEU 8 CO -0.01 -0.61 -0.15 -1.54 0.23 0.00 0.00 176.35 174.27 1dch n SER 9 N 4.24 -0.84 -0.02 2.29 3.41 -1.26 -4.50 113.62 116.94 1dch n SER 9 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 1dch n SER 9 Cb 0.43 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.65 0.11 0.25 7.33 0.00 -2.01 -3.19 119.26 121.11 1dch h ALA 10 Ca -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1dch h ALA 10 Cb 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1dch h ALA 10 CO 0.02 -0.27 -0.41 1.49 0.00 0.00 0.00 179.25 180.08 1dch h GLU 11 N -0.06 -0.71 -0.50 0.00 4.81 -2.00 -1.88 114.58 114.25 1dch h GLU 11 Ca 0.03 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1dch h GLU 11 Cb 0.22 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 1dch h GLU 11 CO -0.00 -0.47 -0.51 0.93 -0.73 0.00 0.00 179.01 178.22 1dch h GLU 12 N -0.73 -0.27 -0.06 1.92 5.08 -1.88 0.23 114.58 118.87 1dch h GLU 12 Ca -0.01 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1dch h GLU 12 Cb 0.70 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1dch h GLU 12 CO -0.16 -0.18 -0.29 0.00 -1.00 0.00 0.00 179.01 177.38 1dch h ARG 13 N -0.28 -0.39 -0.75 2.33 3.08 -1.42 2.10 114.38 119.05 1dch h ARG 13 Ca 0.08 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.31 1dch h ARG 13 Cb 0.50 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 1dch h ARG 13 CO -0.62 -0.26 0.26 0.22 -1.07 0.00 0.00 179.97 178.51 1dch h ASP 14 N -0.40 0.19 0.10 7.04 1.82 -0.55 1.26 116.42 125.88 1dch h ASP 14 Ca 0.08 0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1dch h ASP 14 Cb 0.52 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1dch h ASP 14 CO -0.29 0.05 -0.05 1.56 -1.61 0.00 0.00 179.24 178.90 1dch h GLN 15 N 0.38 -0.12 0.23 0.28 1.08 0.63 -3.37 115.11 114.21 1dch h GLN 15 Ca 0.42 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.62 1dch h GLN 15 Cb 0.68 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1dch h GLN 15 CO -0.44 0.38 -0.14 1.25 -0.95 0.00 0.00 178.83 178.93 1dch h LEU 16 N -0.89 -0.34 -1.74 1.46 5.85 0.47 -3.35 115.31 116.77 1dch h LEU 16 Ca -0.01 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1dch h LEU 16 Cb 0.56 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1dch h LEU 16 CO 0.02 -0.21 0.37 0.25 -0.34 0.00 0.00 178.44 178.53 1dch h LEU 17 N -0.34 0.26 0.00 2.25 5.85 0.14 -3.38 115.31 120.09 1dch h LEU 17 Ca -0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1dch h LEU 17 Cb 0.27 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1dch h LEU 17 CO 0.03 0.16 0.00 -0.81 -0.34 0.00 0.00 178.44 177.48 1dch n PRO 18 N -4.46 0.00 -0.33 5.25 -0.04 -1.23 -1.83 135.00 132.36 1dch n PRO 18 Ca 0.09 0.73 0.18 0.00 -0.04 0.00 0.00 63.50 64.46 1dch n PRO 18 Cb 0.41 -1.40 0.42 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.61 -0.10 3.54 -0.26 -1.84 1.11 115.58 118.64 1dch h ASN 19 Ca 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1dch h ASN 19 Cb 0.00 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1dch h ASN 19 CO 0.00 0.16 0.06 -0.07 -1.06 0.00 0.00 177.43 176.52 1dch h LEU 20 N 0.56 0.11 -1.76 1.61 4.07 -1.79 -2.14 115.31 115.97 1dch h LEU 20 Ca 0.59 -0.01 0.29 0.00 0.08 0.00 0.00 57.88 58.84 1dch h LEU 20 Cb 1.21 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.86 1dch h LEU 20 CO -0.36 0.09 0.73 -0.09 -1.08 0.00 0.00 178.44 177.72 1dch h ARG 21 N 0.13 0.15 0.00 1.13 9.65 0.19 -1.71 114.38 123.92 1dch h ARG 21 Ca 0.04 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1dch h ARG 21 Cb -0.01 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1dch h ARG 21 CO -0.01 0.10 0.00 0.00 2.80 0.00 0.00 179.97 182.86 1dch n ALA 22 N -2.64 -0.31 0.00 2.80 0.00 0.10 -2.62 120.51 117.84 1dch n ALA 22 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1dch n ALA 22 Cb 1.03 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.53 1dch n ALA 22 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1dch n VAL 23 N -1.67 0.00 0.00 0.00 0.24 -0.67 -4.65 118.33 111.59 1dch n VAL 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1dch n VAL 23 Cb 0.00 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -0.27 2.12 3.74 7.63 0.00 -1.08 -5.09 105.19 112.25 1dch n GLY 24 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.01 2.91 0.01 1.61 0.52 -1.07 -4.81 118.94 116.11 1dch s TRP 25 Ca 0.00 0.87 0.04 0.00 0.02 0.00 0.00 56.10 57.02 1dch s TRP 25 Cb 0.00 -3.94 -0.01 0.00 -1.15 0.00 0.00 33.47 28.37 1dch s TRP 25 CO 0.00 -3.16 -0.12 -0.80 0.02 0.00 0.00 176.95 172.89 1dch s ASN 26 N 0.52 1.36 -0.18 2.95 0.02 -0.73 -4.30 114.94 114.58 1dch s ASN 26 Ca 0.62 -0.32 -0.24 0.00 -1.02 0.00 0.00 52.86 51.91 1dch s ASN 26 Cb -0.45 -0.11 -0.02 0.00 0.02 0.00 0.00 41.25 40.70 1dch s ASN 26 CO 0.44 0.07 0.79 -1.61 0.02 0.00 0.00 177.10 176.80 1dch s GLU 27 N -0.68 4.27 0.44 -0.60 2.02 -1.26 0.32 118.70 123.21 1dch s GLU 27 Ca 0.02 0.93 -0.08 0.00 0.02 0.00 0.00 54.97 55.85 1dch s GLU 27 Cb -0.06 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 1dch s GLU 27 CO 0.00 -0.33 0.78 -0.48 0.02 0.00 0.00 175.26 175.26 1dch s LEU 28 N 2.16 3.72 0.01 1.80 2.34 -0.25 -4.96 118.68 123.50 1dch s LEU 28 Ca 0.36 1.06 -0.27 0.00 0.06 0.00 0.00 54.13 55.33 1dch s LEU 28 Cb -0.16 -3.97 -0.04 0.00 -0.56 0.00 0.00 46.19 41.45 1dch s LEU 28 CO 0.11 -0.49 0.85 -0.70 -1.06 0.00 0.00 176.35 175.07 1dch s GLU 29 N -4.27 4.53 0.00 1.48 2.12 -1.26 -4.41 118.70 116.90 1dch s GLU 29 Ca 0.50 1.20 0.00 0.00 0.36 0.00 0.00 54.97 57.03 1dch s GLU 29 Cb -0.10 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1dch s GLU 29 CO 0.38 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1dch n GLY 30 N 2.74 1.34 3.98 -1.50 0.00 -1.26 -5.05 105.19 105.44 1dch n GLY 30 Ca 0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1dch n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dch s ARG 31 N 0.00 2.50 -0.57 1.61 3.00 -1.26 -5.01 118.95 119.22 1dch s ARG 31 Ca 0.00 -0.87 -0.27 0.00 -1.00 0.00 0.00 55.73 53.59 1dch s ARG 31 Cb 0.00 -2.51 0.03 0.00 0.00 0.00 0.00 34.95 32.48 1dch s ARG 31 CO 0.00 -0.72 1.09 0.34 0.00 0.00 0.00 175.30 176.00 1dch s ASP 32 N -4.45 6.41 -0.28 -2.12 2.15 -1.26 -4.68 116.67 112.43 1dch s ASP 32 Ca 0.58 -0.07 -0.24 0.00 0.43 0.00 0.00 52.55 53.24 1dch s ASP 32 Cb -0.10 -2.51 0.13 0.00 -0.30 0.00 0.00 42.92 40.14 1dch s ASP 32 CO 0.38 -1.38 1.05 0.00 -0.17 0.00 0.00 175.17 175.06 1dch s ALA 33 N 4.54 -2.02 0.84 3.66 0.00 -1.26 -3.72 121.76 123.81 1dch s ALA 33 Ca 0.38 1.90 -0.12 0.00 0.00 0.00 0.00 51.96 54.12 1dch s ALA 33 Cb -0.09 -1.49 0.12 0.00 0.00 0.00 0.00 23.12 21.66 1dch s ALA 33 CO 0.23 -0.24 1.20 0.96 0.00 0.00 0.00 175.76 177.91 1dch s ILE 34 N 0.33 2.03 0.10 0.00 -4.36 -1.14 -1.09 121.20 117.07 1dch s ILE 34 Ca 0.02 -0.04 -0.09 0.00 -0.26 0.00 0.00 60.65 60.28 1dch s ILE 34 Cb -0.05 -2.99 -0.00 0.00 1.25 0.00 0.00 42.46 40.67 1dch s ILE 34 CO -0.08 0.00 0.21 0.12 0.24 0.00 0.00 174.94 175.44 1dch s PHE 35 N -3.63 0.16 -0.30 1.37 5.36 0.95 -3.12 117.98 118.77 1dch s PHE 35 Ca 0.66 -0.58 -0.05 0.00 -0.96 0.00 0.00 56.93 56.00 1dch s PHE 35 Cb -0.09 -0.04 0.19 0.00 -0.34 0.00 0.00 43.02 42.74 1dch s PHE 35 CO 0.50 -0.57 0.90 0.21 -1.46 0.00 0.00 175.22 174.79 1dch s LYS 36 N -3.87 0.29 0.20 10.12 2.20 -0.39 -1.77 119.74 126.52 1dch s LYS 36 Ca 0.06 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 1dch s LYS 36 Cb 0.04 0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 36.40 1dch s LYS 36 CO -0.10 -0.53 1.32 -1.14 -0.36 0.00 0.00 175.35 174.54 1dch s GLN 37 N 2.87 4.38 0.14 4.03 2.00 -1.26 -3.08 119.66 128.74 1dch s GLN 37 Ca 0.22 2.07 0.10 0.00 -2.00 0.00 0.00 55.36 55.75 1dch s GLN 37 Cb -0.04 -3.19 -0.04 0.00 0.80 0.00 0.00 33.01 30.54 1dch s GLN 37 CO -0.23 -0.27 -0.24 -0.06 -0.50 0.00 0.00 175.29 173.99 1dch s PHE 38 N 0.11 2.15 -0.17 1.67 0.40 0.11 -4.97 117.98 117.28 1dch s PHE 38 Ca 0.57 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 56.44 1dch s PHE 38 Cb -0.37 -1.14 0.07 0.00 0.51 0.00 0.00 43.02 42.09 1dch s PHE 38 CO 0.38 0.34 0.37 -1.58 0.70 0.00 0.00 175.22 175.44 1dch s HIS 39 N -1.30 -0.61 0.36 0.36 2.46 -1.26 0.15 115.29 115.45 1dch s HIS 39 Ca 0.14 1.26 0.04 0.00 0.47 0.00 0.00 55.06 56.97 1dch s HIS 39 Cb -0.09 0.21 -0.06 0.00 -0.13 0.00 0.00 32.58 32.50 1dch s HIS 39 CO 0.06 -0.38 0.06 -0.06 -2.47 0.00 0.00 174.74 171.95 1dch s PHE 40 N 1.97 2.03 0.27 3.88 0.08 -0.70 -4.98 117.98 120.53 1dch s PHE 40 Ca -0.05 -0.95 -0.01 0.00 0.12 0.00 0.00 56.93 56.04 1dch s PHE 40 Cb -0.10 -1.37 0.48 0.00 -0.57 0.00 0.00 43.02 41.46 1dch s PHE 40 CO -0.12 0.06 1.82 -0.22 -0.10 0.00 0.00 175.22 176.66 1dch h LYS 41 N 1.99 0.87 -2.69 0.44 3.64 -1.89 -3.44 116.57 115.49 1dch h LYS 41 Ca -0.41 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.02 1dch h LYS 41 Cb 1.25 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1dch h LYS 41 CO 0.70 0.57 0.45 0.16 -2.27 0.00 0.00 179.45 179.07 1dch s ASP 42 N -5.64 -0.03 0.45 4.20 1.47 -1.26 -4.96 116.67 110.89 1dch s ASP 42 Ca -0.12 -0.79 0.24 0.00 1.18 0.00 0.00 52.55 53.06 1dch s ASP 42 Cb 0.21 0.63 1.02 0.00 -0.34 0.00 0.00 42.92 44.44 1dch s ASP 42 CO 0.80 -1.23 1.88 0.15 0.68 0.00 0.00 175.17 177.44 1dch h PHE 43 N 2.00 0.00 0.33 2.11 3.57 -1.90 -2.66 116.94 120.39 1dch h PHE 43 Ca -0.28 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 1dch h PHE 43 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1dch h PHE 43 CO 1.18 0.22 -0.16 -0.97 -2.23 0.00 0.00 178.31 176.35 1dch h ASN 44 N 0.00 -0.37 -0.79 0.41 -0.00 -1.96 -2.16 115.58 110.71 1dch h ASN 44 Ca -0.00 -0.12 0.12 0.00 -0.00 0.00 0.00 56.30 56.30 1dch h ASN 44 Cb 0.66 0.10 -0.08 0.00 -0.00 0.00 0.00 38.32 38.99 1dch h ASN 44 CO 0.03 -0.09 0.39 0.03 -0.00 0.00 0.00 177.43 177.79 1dch h ARG 45 N -0.67 0.59 -0.01 6.67 3.08 -1.92 0.27 114.38 122.40 1dch h ARG 45 Ca -0.04 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 1dch h ARG 45 Cb 0.47 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1dch h ARG 45 CO 0.07 0.39 -0.70 0.00 -1.07 0.00 0.00 179.97 178.67 1dch h ALA 46 N 1.50 0.81 0.05 0.04 0.00 -1.43 -2.37 119.26 117.87 1dch h ALA 46 Ca 0.41 -0.62 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 1dch h ALA 46 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1dch h ALA 46 CO -0.33 0.84 -1.68 0.35 0.00 0.00 0.00 179.25 178.44 1dch h PHE 47 N 0.05 0.18 -0.96 0.00 3.57 -1.17 -1.03 116.94 117.58 1dch h PHE 47 Ca -0.01 -0.13 0.12 0.00 3.53 0.00 0.00 57.97 61.47 1dch h PHE 47 Cb 1.24 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.89 1dch h PHE 47 CO 0.01 1.23 0.59 0.78 -2.23 0.00 0.00 178.31 178.70 1dch h GLY 48 N 2.63 1.57 1.24 2.40 0.00 -0.42 0.79 103.07 111.28 1dch h GLY 48 Ca -0.28 -0.40 -0.29 0.00 0.00 0.00 0.00 47.33 46.36 1dch h GLY 48 CO 0.10 0.14 -1.21 -2.75 0.00 0.00 0.00 176.54 172.82 1dch h PHE 49 N 0.94 1.02 -0.11 5.60 3.04 -1.48 -3.24 116.94 122.69 1dch h PHE 49 Ca 0.48 -0.62 -0.02 0.00 3.98 0.00 0.00 57.97 61.79 1dch h PHE 49 Cb 0.48 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1dch h PHE 49 CO -0.02 1.46 -0.00 0.52 -2.02 0.00 0.00 178.31 178.25 1dch h MET 50 N 0.30 0.16 -0.10 1.11 2.86 -0.66 -2.59 114.93 116.02 1dch h MET 50 Ca -0.18 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.28 1dch h MET 50 Cb 1.88 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.51 1dch h MET 50 CO 0.23 0.18 -0.58 1.15 1.06 0.00 0.00 176.91 178.95 1dch h THR 51 N 0.16 1.35 -0.30 2.22 2.02 -0.89 -0.68 112.91 116.79 1dch h THR 51 Ca 0.04 -1.89 -0.08 0.00 0.77 0.00 0.00 66.41 65.24 1dch h THR 51 Cb 0.12 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1dch h THR 51 CO 0.00 0.57 -0.17 0.03 0.37 0.00 0.00 175.52 176.32 1dch h ARG 52 N 0.19 0.53 -0.28 6.66 3.08 -1.59 0.11 114.38 123.09 1dch h ARG 52 Ca -0.04 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 1dch h ARG 52 Cb 1.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1dch h ARG 52 CO 0.12 0.69 -0.40 0.28 -1.07 0.00 0.00 179.97 179.59 1dch h VAL 53 N 0.48 1.29 -0.10 2.04 2.07 -1.48 -1.95 116.25 118.61 1dch h VAL 53 Ca 0.08 -1.57 -0.23 0.00 0.82 0.00 0.00 66.70 65.81 1dch h VAL 53 Cb 0.58 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1dch h VAL 53 CO 0.04 0.50 -0.84 0.00 0.02 0.00 0.00 177.57 177.29 1dch h ALA 54 N 1.02 0.33 -0.75 1.67 0.00 -0.72 -0.98 119.26 119.82 1dch h ALA 54 Ca 0.05 -0.63 0.12 0.00 0.00 0.00 0.00 54.91 54.44 1dch h ALA 54 Cb 0.92 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1dch h ALA 54 CO 0.08 0.71 0.35 -0.07 0.00 0.00 0.00 179.25 180.32 1dch h LEU 55 N 0.44 0.41 -0.09 0.00 4.07 -0.69 -0.68 115.31 118.78 1dch h LEU 55 Ca -0.07 0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 1dch h LEU 55 Cb 1.47 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.23 1dch h LEU 55 CO 0.16 0.20 -0.17 -0.61 -1.08 0.00 0.00 178.44 176.95 1dch h GLN 56 N 0.55 0.27 0.00 1.13 5.75 -1.21 -1.10 115.11 120.51 1dch h GLN 56 Ca 0.39 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1dch h GLN 56 Cb 0.50 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1dch h GLN 56 CO -0.33 0.76 0.00 0.00 -2.65 0.00 0.00 178.83 176.61 1dch h ALA 57 N 0.51 1.00 0.09 3.38 0.00 -0.90 0.72 119.26 124.05 1dch h ALA 57 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dch h ALA 57 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1dch h ALA 57 CO 0.04 0.00 -0.04 0.93 0.00 0.00 0.00 179.25 180.17 1dch h GLU 58 N 0.00 -0.12 -0.90 0.00 4.39 -0.97 0.39 114.58 117.37 1dch h GLU 58 Ca 0.00 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.92 1dch h GLU 58 Cb 0.01 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.57 1dch h GLU 58 CO 0.00 0.21 0.41 -0.22 -1.16 0.00 0.00 179.01 178.25 1dch h LYS 59 N -0.99 0.42 -0.16 2.33 3.64 -0.02 -2.70 116.57 119.09 1dch h LYS 59 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1dch h LYS 59 Cb 0.38 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1dch h LYS 59 CO 0.02 0.28 0.00 1.28 -2.27 0.00 0.00 179.45 178.76 1dch n LEU 60 N -5.02 2.95 -3.78 5.20 4.77 0.13 -5.04 117.00 116.22 1dch n LEU 60 Ca 0.22 -1.22 -0.26 0.00 -0.03 0.00 0.00 56.01 54.71 1dch n LEU 60 Cb 0.64 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1dch n LEU 60 CO 0.14 0.57 0.11 -0.67 -1.33 0.00 0.00 177.39 176.20 1dch n ASP 61 N 1.22 -4.30 -3.34 -1.43 2.03 0.14 -4.93 116.55 105.94 1dch n ASP 61 Ca 0.14 -0.73 -0.14 0.00 0.52 0.00 0.00 54.79 54.58 1dch n ASP 61 Cb 0.53 -4.24 -0.07 0.00 -0.72 0.00 0.00 41.12 36.62 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 -3.38 -0.49 0.11 -0.67 2.46 -1.05 -5.05 115.29 107.21 1dch s HIS 62 Ca 0.48 -0.66 -0.15 0.00 0.47 0.00 0.00 55.06 55.21 1dch s HIS 62 Cb -0.23 -0.31 -0.07 0.00 -0.13 0.00 0.00 32.58 31.84 1dch s HIS 62 CO 0.80 -1.00 0.52 -1.01 -2.47 0.00 0.00 174.74 171.59 1dch s HIS 63 N 1.52 3.65 1.25 3.88 3.76 -1.26 -4.59 115.29 123.49 1dch s HIS 63 Ca 0.17 1.07 -0.20 0.00 -0.15 0.00 0.00 55.06 55.94 1dch s HIS 63 Cb -0.14 -2.36 0.30 0.00 1.11 0.00 0.00 32.58 31.49 1dch s HIS 63 CO -0.05 0.49 1.07 -1.25 -0.85 0.00 0.00 174.74 174.15 1dch s PRO 64 N -1.71 -1.58 -0.31 8.40 0.04 -1.26 -4.92 135.00 133.66 1dch s PRO 64 Ca 0.34 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.38 1dch s PRO 64 Cb -0.16 -1.55 0.09 0.00 0.04 0.00 0.00 34.50 32.92 1dch s PRO 64 CO 0.18 -3.95 0.05 -1.21 0.04 0.00 0.00 177.00 172.11 1dch s GLU 65 N -5.33 1.22 0.24 4.56 2.02 -0.94 -5.02 118.70 115.46 1dch s GLU 65 Ca 0.70 -1.45 0.02 0.00 0.02 0.00 0.00 54.97 54.27 1dch s GLU 65 Cb -0.10 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 1dch s GLU 65 CO 0.56 -0.90 0.04 1.67 0.02 0.00 0.00 175.26 176.65 1dch s TRP 66 N 1.24 1.53 -0.03 1.61 -2.14 -1.26 -2.02 118.94 117.86 1dch s TRP 66 Ca 0.08 -1.04 0.01 0.00 2.66 0.00 0.00 56.10 57.81 1dch s TRP 66 Cb -0.18 -0.91 0.02 0.00 -3.10 0.00 0.00 33.47 29.30 1dch s TRP 66 CO -0.14 -0.18 -0.04 0.12 -2.66 0.00 0.00 176.95 174.05 1dch s PHE 67 N -3.57 0.66 -0.08 1.66 5.36 -0.62 -4.94 117.98 116.45 1dch s PHE 67 Ca 0.32 -0.16 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 1dch s PHE 67 Cb 0.07 -0.57 0.01 0.00 -0.34 0.00 0.00 43.02 42.19 1dch s PHE 67 CO 0.10 -0.14 -0.14 1.21 -1.46 0.00 0.00 175.22 174.79 1dch s ASN 68 N 0.70 2.11 0.00 6.13 3.84 -1.26 -1.64 114.94 124.82 1dch s ASN 68 Ca -0.09 -0.36 0.00 0.00 0.21 0.00 0.00 52.86 52.62 1dch s ASN 68 Cb -0.12 -0.95 0.00 0.00 -0.55 0.00 0.00 41.25 39.63 1dch s ASN 68 CO -0.00 0.03 0.00 0.52 -2.79 0.00 0.00 177.10 174.86 1dch n VAL 69 N 3.99 0.00 -0.01 -5.21 0.31 -0.84 -4.99 118.33 111.58 1dch n VAL 69 Ca -0.21 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.08 1dch n VAL 69 Cb 0.52 -0.56 -0.01 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.40 0.00 0.00 3.52 9.36 -1.26 -4.84 117.16 123.55 1dch n TYR 70 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1dch n TYR 70 Cb 0.00 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.56 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 -3.36 0.23 -4.74 2.98 0.23 -1.26 -3.73 115.26 105.62 1dch n ASN 71 Ca -0.08 -0.35 -0.40 0.00 -0.53 0.00 0.00 54.58 53.23 1dch n ASN 71 Cb 0.43 0.74 -0.05 0.00 -2.08 0.00 0.00 39.78 38.82 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 -0.78 4.48 -0.04 -3.83 1.02 -1.26 -1.71 119.74 117.62 1dch s LYS 72 Ca 0.00 1.04 0.03 0.00 0.02 0.00 0.00 55.97 57.06 1dch s LYS 72 Cb 0.00 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1dch s LYS 72 CO 0.00 0.22 -0.12 0.08 -0.92 0.00 0.00 175.35 174.60 1dch s VAL 73 N 0.19 1.07 -0.13 3.17 1.01 0.40 -1.98 120.40 124.13 1dch s VAL 73 Ca 0.39 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1dch s VAL 73 Cb -0.20 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1dch s VAL 73 CO 0.22 0.33 -0.22 -1.00 0.00 0.00 0.00 175.10 174.43 1dch s HIS 74 N 0.27 2.57 0.15 5.22 3.76 -0.65 0.04 115.29 126.65 1dch s HIS 74 Ca -0.06 -1.24 0.07 0.00 -0.15 0.00 0.00 55.06 53.68 1dch s HIS 74 Cb -0.11 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 1dch s HIS 74 CO 0.02 -0.56 -0.04 0.42 -0.85 0.00 0.00 174.74 173.73 1dch s ILE 75 N 0.73 3.59 -0.13 0.60 1.01 -1.18 -1.59 121.20 124.24 1dch s ILE 75 Ca -0.10 -1.39 -0.06 0.00 0.00 0.00 0.00 60.65 59.11 1dch s ILE 75 Cb -0.16 -2.77 0.06 0.00 0.01 0.00 0.00 42.46 39.60 1dch s ILE 75 CO 0.00 -0.04 0.29 -0.89 0.00 0.00 0.00 174.94 174.30 1dch s THR 76 N -1.58 -0.28 -0.16 2.92 2.01 -0.86 -1.27 115.64 116.42 1dch s THR 76 Ca 0.26 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.48 1dch s THR 76 Cb -0.10 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 71.97 1dch s THR 76 CO 0.17 0.09 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.23 1dch s LEU 77 N 1.98 2.05 0.24 4.42 1.43 -1.18 -2.20 118.68 125.41 1dch s LEU 77 Ca -0.03 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1dch s LEU 77 Cb -0.11 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1dch s LEU 77 CO -0.09 0.02 0.09 -0.55 0.23 0.00 0.00 176.35 176.05 1dch s SER 78 N 1.12 1.05 -0.27 2.29 0.15 -1.26 -2.88 113.70 113.89 1dch s SER 78 Ca -0.00 -1.37 0.02 0.00 0.70 0.00 0.00 55.95 55.30 1dch s SER 78 Cb -0.14 0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.43 1dch s SER 78 CO -0.08 -0.73 -0.04 -0.89 1.20 0.00 0.00 173.24 172.69 1dch s THR 79 N -3.80 1.90 0.04 6.45 2.01 0.19 -4.92 115.64 117.50 1dch s THR 79 Ca 0.37 -1.63 -0.07 0.00 0.31 0.00 0.00 61.69 60.67 1dch s THR 79 Cb 0.08 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1dch s THR 79 CO 0.13 -0.21 0.48 1.41 -0.69 0.00 0.00 174.62 175.73 1dch n HIS 80 N 4.50 -0.10 0.00 4.92 8.25 -1.26 0.19 115.22 131.72 1dch n HIS 80 Ca -0.09 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1dch n HIS 80 Cb 0.43 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1dch n HIS 80 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1dch n GLU 81 N -3.69 0.00 -0.40 -0.41 1.02 -1.26 -1.84 120.64 114.07 1dch n GLU 81 Ca 0.00 0.72 0.39 0.00 -0.02 0.00 0.00 57.16 58.25 1dch n GLU 81 Cb 0.06 -1.39 0.75 0.00 -0.02 0.00 0.00 31.44 30.84 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 -2.75 -0.76 -3.00 0.00 0.00 0.13 -4.85 120.51 109.28 1dch n ALA 83 Ca 0.29 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1dch n ALA 83 Cb 1.44 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.05 0.42 3.66 0.00 0.00 -1.19 -4.41 105.19 102.62 1dch n GLY 84 Ca -0.18 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 4.41 0.14 0.99 1.43 -1.24 0.55 118.68 124.96 1dch s LEU 85 Ca 0.00 2.59 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 1dch s LEU 85 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1dch s LEU 85 CO 0.00 -1.02 -0.04 -0.94 0.23 0.00 0.00 176.35 174.58 1dch s SER 86 N 4.02 4.67 0.49 2.29 1.04 -1.26 -2.29 113.70 122.66 1dch s SER 86 Ca 0.84 -0.37 0.23 0.00 0.48 0.00 0.00 55.95 57.13 1dch s SER 86 Cb -0.41 -0.97 1.24 0.00 0.10 0.00 0.00 66.02 65.98 1dch s SER 86 CO 0.38 0.13 1.66 -0.33 0.98 0.00 0.00 173.24 176.06 1dch h GLU 87 N 3.11 0.00 0.19 4.02 5.08 -1.95 0.31 114.58 125.34 1dch h GLU 87 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1dch h GLU 87 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1dch h GLU 87 CO 0.56 0.00 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.39 1dch h ARG 88 N 0.00 -0.24 -0.54 2.33 2.43 -1.99 -2.64 114.38 113.73 1dch h ARG 88 Ca 0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1dch h ARG 88 Cb 0.55 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1dch h ARG 88 CO 0.00 0.05 0.27 -0.44 -1.51 0.00 0.00 179.97 178.34 1dch h ASP 89 N -0.53 0.38 0.31 -3.80 3.32 -0.75 0.28 116.42 115.63 1dch h ASP 89 Ca -0.03 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1dch h ASP 89 Cb 0.40 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1dch h ASP 89 CO 0.04 0.26 -0.00 0.40 -1.72 0.00 0.00 179.24 178.22 1dch h ILE 90 N 0.52 0.01 0.00 0.35 1.08 -1.39 -1.95 117.51 116.13 1dch h ILE 90 Ca 0.24 -0.16 -0.25 0.00 -0.39 0.00 0.00 64.86 64.30 1dch h ILE 90 Cb 0.16 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 1dch h ILE 90 CO -0.17 0.00 -1.95 -0.46 -0.69 0.00 0.00 178.15 174.88 1dch n ASN 91 N -3.09 1.99 0.07 1.72 0.23 -0.75 -3.86 115.26 111.56 1dch n ASN 91 Ca -0.02 -0.03 0.12 0.00 -0.53 0.00 0.00 54.58 54.12 1dch n ASN 91 Cb 0.14 0.47 0.59 0.00 -2.08 0.00 0.00 39.78 38.91 1dch n ASN 91 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1dch h LEU 92 N 0.00 0.15 -0.61 -4.53 5.85 -0.33 0.28 115.31 116.11 1dch h LEU 92 Ca -0.37 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 1dch h LEU 92 Cb 1.76 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1dch h LEU 92 CO -0.01 0.09 0.05 0.00 -0.34 0.00 0.00 178.44 178.24 1dch h ALA 93 N 1.82 0.82 0.00 1.25 0.00 -1.53 -0.97 119.26 120.64 1dch h ALA 93 Ca 0.16 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1dch h ALA 93 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dch h ALA 93 CO -0.02 0.62 -0.27 1.03 0.00 0.00 0.00 179.25 180.60 1dch h SER 94 N 0.95 0.00 0.08 0.00 0.87 -0.64 -1.34 113.55 113.46 1dch h SER 94 Ca 0.18 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.61 1dch h SER 94 Cb 0.50 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1dch h SER 94 CO 0.02 0.27 -0.58 0.15 -0.53 0.00 0.00 176.83 176.17 1dch h PHE 95 N 0.00 0.42 0.00 2.24 3.57 -0.80 -2.65 116.94 119.72 1dch h PHE 95 Ca -0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1dch h PHE 95 Cb 0.55 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1dch h PHE 95 CO 0.00 1.19 0.28 0.82 -2.23 0.00 0.00 178.31 178.37 1dch h ILE 96 N -0.47 0.00 0.00 1.41 2.04 -0.79 1.20 117.51 120.90 1dch h ILE 96 Ca -0.10 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.40 1dch h ILE 96 Cb 1.41 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 1dch h ILE 96 CO 0.11 0.00 -2.36 -0.62 0.00 0.00 0.00 178.15 175.28 1dch n GLU 97 N -2.12 0.75 -0.27 2.37 -0.58 -0.54 -2.36 120.64 117.88 1dch n GLU 97 Ca -0.01 0.06 0.06 0.00 -0.42 0.00 0.00 57.16 56.85 1dch n GLU 97 Cb 0.30 -1.49 0.29 0.00 -0.57 0.00 0.00 31.44 29.96 1dch n GLU 97 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1dch h GLN 98 N 0.00 0.89 0.49 3.49 1.08 0.98 -2.80 115.11 119.24 1dch h GLN 98 Ca -0.54 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.59 1dch h GLN 98 Cb 2.04 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 1dch h GLN 98 CO -0.02 0.59 -0.24 0.28 -0.95 0.00 0.00 178.83 178.49 1dch h VAL 99 N 0.92 0.00 0.00 -0.54 2.07 0.92 -3.39 116.25 116.23 1dch h VAL 99 Ca 0.38 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1dch h VAL 99 Cb 0.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1dch h VAL 99 CO -0.15 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.44 1dch n ALA 100 N -2.56 0.00 -0.33 1.67 0.00 -1.00 -3.06 120.51 115.23 1dch n ALA 100 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1dch n ALA 100 Cb 0.26 0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1dch n ALA 100 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1dch n VAL 101 N -1.40 -0.46 -0.39 0.00 0.24 -1.07 0.66 118.33 115.90 1dch n VAL 101 Ca 0.00 1.97 -0.06 0.00 -2.04 0.00 0.00 64.34 64.21 1dch n VAL 101 Cb 0.00 -2.57 -0.02 0.00 -1.47 0.00 0.00 33.84 29.78 1dch n VAL 101 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1dch h SER 102 N 0.00 -1.75 0.00 -1.34 4.64 -1.72 -2.97 113.55 110.41 1dch h SER 102 Ca 0.26 0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1dch h SER 102 Cb 0.47 0.84 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1dch h SER 102 CO -0.82 -0.27 0.00 0.23 -0.87 0.00 0.00 176.83 175.10 1dch n MET 103 N -5.37 0.00 -0.22 4.77 2.81 0.21 -5.18 117.12 114.14 1dch n MET 103 Ca 0.06 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.52 1dch n MET 103 Cb 0.34 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1dch n MET 103 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73