#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 -0.82 1.57 0.63 -1.25 -4.73 116.66 112.05 1dch n ARG 7 Ca 0.00 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.69 1dch n ARG 7 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1dch n ARG 7 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1dch n LEU 8 N 0.00 0.18 -4.77 6.15 7.94 -0.54 -4.87 117.00 121.09 1dch n LEU 8 Ca 0.00 0.13 -0.38 0.00 -1.11 0.00 0.00 56.01 54.65 1dch n LEU 8 Cb 0.00 -0.51 -0.01 0.00 0.53 0.00 0.00 43.42 43.43 1dch n LEU 8 CO 0.00 -0.40 0.85 -0.94 -1.11 0.00 0.00 177.39 175.79 1dch s SER 9 N 4.83 6.29 0.55 1.96 1.04 -1.26 -4.68 113.70 122.44 1dch s SER 9 Ca 0.75 2.36 0.46 0.00 0.48 0.00 0.00 55.95 59.99 1dch s SER 9 Cb -0.71 -2.61 1.68 0.00 0.10 0.00 0.00 66.02 64.48 1dch s SER 9 CO 0.28 -0.84 1.65 0.00 0.98 0.00 0.00 173.24 175.31 1dch h ALA 10 N 2.30 3.62 -0.02 5.32 0.00 -1.99 0.40 119.26 128.90 1dch h ALA 10 Ca -0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1dch h ALA 10 Cb 1.24 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1dch h ALA 10 CO 0.61 -2.12 -0.06 0.93 0.00 0.00 0.00 179.25 178.61 1dch h GLU 11 N 0.00 0.07 -0.66 0.00 3.07 -1.98 -2.60 114.58 112.49 1dch h GLU 11 Ca 0.82 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 59.64 1dch h GLU 11 Cb 3.29 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 31.17 1dch h GLU 11 CO -0.02 0.70 0.44 0.93 -1.40 0.00 0.00 179.01 179.66 1dch h GLU 12 N -0.53 0.84 -0.70 2.33 5.08 -0.66 -0.58 114.58 120.35 1dch h GLU 12 Ca -0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1dch h GLU 12 Cb 0.71 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1dch h GLU 12 CO 0.01 0.56 0.25 0.00 -1.00 0.00 0.00 179.01 178.83 1dch h ARG 13 N 0.87 1.07 0.00 2.33 3.08 -1.00 0.11 114.38 120.83 1dch h ARG 13 Ca 0.25 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1dch h ARG 13 Cb -0.06 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1dch h ARG 13 CO -0.06 0.89 0.00 -0.25 -1.07 0.00 0.00 179.97 179.48 1dch n ASP 14 N -4.27 0.00 -0.04 7.04 10.43 -0.26 -0.53 116.55 128.91 1dch n ASP 14 Ca 0.06 0.43 -0.04 0.00 2.57 0.00 0.00 54.79 57.81 1dch n ASP 14 Cb 0.20 -0.45 -0.07 0.00 1.84 0.00 0.00 41.12 42.65 1dch n ASP 14 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dch n GLN 15 N -1.45 2.50 -0.09 -1.24 10.64 -0.72 -4.72 117.38 122.28 1dch n GLN 15 Ca 0.02 -0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.01 1dch n GLN 15 Cb 0.06 -1.22 -0.09 0.00 -0.86 0.00 0.00 30.24 28.13 1dch n GLN 15 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1dch h LEU 16 N 0.00 0.00 -0.14 2.61 3.38 0.61 -3.42 115.31 118.36 1dch h LEU 16 Ca -0.23 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.38 1dch h LEU 16 Cb 1.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 1dch h LEU 16 CO 0.01 1.29 -0.03 -0.07 0.09 0.00 0.00 178.44 179.73 1dch h LEU 17 N -1.00 -0.12 -0.98 1.67 3.38 -1.03 -3.30 115.31 113.93 1dch h LEU 17 Ca -0.25 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.09 1dch h LEU 17 Cb 1.09 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 41.74 1dch h LEU 17 CO -0.15 -0.04 0.25 -0.81 0.09 0.00 0.00 178.44 177.78 1dch n PRO 18 N -5.16 -0.07 -0.02 1.13 -0.04 -1.26 0.40 135.00 129.99 1dch n PRO 18 Ca -0.04 1.41 -0.16 0.00 -0.04 0.00 0.00 63.50 64.68 1dch n PRO 18 Cb 0.09 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.08 1dch n PRO 18 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1dch h ASN 19 N 0.00 0.49 -1.01 3.54 -0.00 -1.86 -2.91 115.58 113.84 1dch h ASN 19 Ca 0.70 -0.69 0.21 0.00 -0.00 0.00 0.00 56.30 56.52 1dch h ASN 19 Cb 1.66 -0.15 -0.11 0.00 -0.00 0.00 0.00 38.32 39.72 1dch h ASN 19 CO -0.85 1.10 0.61 0.25 -0.00 0.00 0.00 177.43 178.54 1dch h LEU 20 N -0.09 0.75 -0.24 6.14 5.85 -0.75 0.95 115.31 127.93 1dch h LEU 20 Ca -0.04 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1dch h LEU 20 Cb 1.12 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1dch h LEU 20 CO 0.09 0.22 -0.07 0.03 -0.34 0.00 0.00 178.44 178.37 1dch h ARG 21 N 0.71 -0.02 0.00 1.25 3.08 -0.00 -2.77 114.38 116.62 1dch h ARG 21 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1dch h ARG 21 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1dch h ARG 21 CO -0.41 -0.01 0.24 0.00 -1.07 0.00 0.00 179.97 178.71 1dch n ALA 22 N -2.49 0.55 0.08 0.04 0.00 0.33 -0.95 120.51 118.07 1dch n ALA 22 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1dch n ALA 22 Cb 0.16 -0.57 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.39 0.00 0.00 0.00 0.24 -1.05 -4.99 118.33 111.15 1dch n VAL 23 Ca -0.00 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1dch n VAL 23 Cb 0.25 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 1.63 0.34 3.68 7.63 0.00 -0.12 -5.11 105.19 113.24 1dch n GLY 24 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.18 3.48 0.39 1.61 0.52 -1.24 -4.65 118.94 118.86 1dch s TRP 25 Ca 0.00 1.51 0.08 0.00 0.02 0.00 0.00 56.10 57.71 1dch s TRP 25 Cb 0.00 -3.16 -0.08 0.00 -1.15 0.00 0.00 33.47 29.08 1dch s TRP 25 CO 0.00 -0.25 -0.02 1.21 0.02 0.00 0.00 176.95 177.91 1dch s ASN 26 N 1.11 3.81 -0.22 2.95 3.04 0.61 -4.32 114.94 121.92 1dch s ASN 26 Ca 0.46 -1.32 -0.12 0.00 0.04 0.00 0.00 52.86 51.91 1dch s ASN 26 Cb -0.18 -0.38 -0.05 0.00 -1.54 0.00 0.00 41.25 39.11 1dch s ASN 26 CO 0.16 -0.39 0.23 -0.70 -3.04 0.00 0.00 177.10 173.36 1dch s GLU 27 N -3.69 4.11 0.18 0.43 2.12 -1.26 0.01 118.70 120.61 1dch s GLU 27 Ca 0.34 -0.11 -0.33 0.00 0.36 0.00 0.00 54.97 55.23 1dch s GLU 27 Cb 0.08 -3.53 -0.13 0.00 0.26 0.00 0.00 34.13 30.81 1dch s GLU 27 CO 0.18 0.05 1.66 1.28 -0.54 0.00 0.00 175.26 177.88 1dch n LEU 28 N 4.28 3.56 -4.36 2.70 4.32 -1.06 -4.88 117.00 121.54 1dch n LEU 28 Ca -0.13 1.07 -0.45 0.00 -0.02 0.00 0.00 56.01 56.48 1dch n LEU 28 Cb 0.52 -1.50 -0.01 0.00 -1.62 0.00 0.00 43.42 40.81 1dch n LEU 28 CO 0.37 -0.05 0.78 -0.70 -1.22 0.00 0.00 177.39 176.57 1dch s GLU 29 N 1.12 3.95 0.00 3.23 -6.30 -1.26 -3.76 118.70 115.68 1dch s GLU 29 Ca 0.77 -2.76 0.00 0.00 -2.50 0.00 0.00 54.97 50.48 1dch s GLU 29 Cb -0.59 -4.62 0.00 0.00 0.00 0.00 0.00 34.13 28.92 1dch s GLU 29 CO 0.35 -1.38 0.00 0.41 0.02 0.00 0.00 175.26 174.66 1dch n GLY 30 N 3.56 2.47 3.31 -1.50 0.00 -1.26 -5.13 105.19 106.64 1dch n GLY 30 Ca 0.23 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 1.55 -0.95 1.61 3.52 -1.25 -5.05 118.95 118.38 1dch s ARG 31 Ca 0.00 -1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 54.27 1dch s ARG 31 Cb 0.00 -1.76 -0.01 0.00 -1.56 0.00 0.00 34.95 31.62 1dch s ARG 31 CO 0.00 0.44 1.74 0.34 -0.81 0.00 0.00 175.30 177.01 1dch s ASP 32 N -1.39 5.72 0.35 -2.12 -1.08 -1.26 -4.23 116.67 112.65 1dch s ASP 32 Ca 0.10 -1.01 -0.05 0.00 -0.52 0.00 0.00 52.55 51.08 1dch s ASP 32 Cb -0.10 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.82 1dch s ASP 32 CO 0.03 -2.22 0.54 0.00 0.52 0.00 0.00 175.17 174.03 1dch n ALA 33 N 11.81 -0.65 -3.01 3.66 0.00 -1.26 -4.03 120.51 127.02 1dch n ALA 33 Ca 0.37 -1.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.19 1dch n ALA 33 Cb 0.49 1.19 -0.15 0.00 0.00 0.00 0.00 19.45 20.98 1dch n ALA 33 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dch s ILE 34 N -2.65 0.22 0.04 0.00 1.01 -1.00 -2.56 121.20 116.26 1dch s ILE 34 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1dch s ILE 34 Cb -0.02 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1dch s ILE 34 CO 0.18 0.08 -0.06 0.12 0.00 0.00 0.00 174.94 175.27 1dch s PHE 35 N 0.18 0.55 -0.29 3.97 5.36 0.10 -0.99 117.98 126.86 1dch s PHE 35 Ca -0.01 -0.63 -0.24 0.00 -0.96 0.00 0.00 56.93 55.09 1dch s PHE 35 Cb -0.04 -0.35 0.14 0.00 -0.34 0.00 0.00 43.02 42.43 1dch s PHE 35 CO -0.00 -0.16 1.11 0.21 -1.46 0.00 0.00 175.22 174.91 1dch s LYS 36 N -2.10 0.40 -0.14 10.12 2.20 -0.03 -0.28 119.74 129.90 1dch s LYS 36 Ca -0.07 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1dch s LYS 36 Cb -0.06 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1dch s LYS 36 CO -0.02 -0.05 -0.14 -1.14 -0.36 0.00 0.00 175.35 173.64 1dch s GLN 37 N 0.35 3.32 0.13 4.03 2.00 -1.26 0.84 119.66 129.07 1dch s GLN 37 Ca 0.02 -0.71 0.09 0.00 -2.00 0.00 0.00 55.36 52.75 1dch s GLN 37 Cb -0.05 -2.62 -0.04 0.00 0.80 0.00 0.00 33.01 31.10 1dch s GLN 37 CO -0.09 0.15 -0.15 -0.06 -0.50 0.00 0.00 175.29 174.64 1dch s PHE 38 N 0.50 2.59 -0.03 1.67 0.40 0.50 -4.97 117.98 118.65 1dch s PHE 38 Ca -0.10 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1dch s PHE 38 Cb -0.16 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.03 1dch s PHE 38 CO 0.04 0.42 -0.09 -1.58 0.70 0.00 0.00 175.22 174.71 1dch s HIS 39 N -1.26 0.95 0.39 0.36 2.46 -1.26 -1.06 115.29 115.87 1dch s HIS 39 Ca 0.20 -0.23 0.04 0.00 0.47 0.00 0.00 55.06 55.54 1dch s HIS 39 Cb -0.10 -0.68 -0.02 0.00 -0.13 0.00 0.00 32.58 31.66 1dch s HIS 39 CO 0.12 -0.10 0.15 1.19 -2.47 0.00 0.00 174.74 173.63 1dch n PHE 40 N 3.28 0.05 0.19 3.88 3.72 0.17 -4.89 117.46 123.86 1dch n PHE 40 Ca -0.18 -2.57 0.08 0.00 -0.05 0.00 0.00 57.45 54.73 1dch n PHE 40 Cb 0.54 0.02 0.25 0.00 -0.94 0.00 0.00 39.48 39.35 1dch n PHE 40 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1dch h LYS 41 N 0.00 0.00 0.00 -1.08 3.64 -1.96 -3.45 116.57 113.72 1dch h LYS 41 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1dch h LYS 41 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1dch h LYS 41 CO 0.47 0.28 0.00 -0.40 -2.27 0.00 0.00 179.45 177.54 1dch n ASP 42 N -3.26 0.00 0.09 4.20 5.75 -1.26 -4.93 116.55 117.14 1dch n ASP 42 Ca 0.02 -0.75 0.05 0.00 -0.01 0.00 0.00 54.79 54.09 1dch n ASP 42 Cb 0.56 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.75 0.00 -0.89 2.11 3.57 -1.93 -2.97 116.94 117.58 1dch h PHE 43 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1dch h PHE 43 Cb 0.00 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1dch h PHE 43 CO 0.00 0.36 0.58 -0.97 -2.23 0.00 0.00 178.31 176.05 1dch h ASN 44 N 0.00 0.91 0.79 0.41 -0.73 -1.96 -1.91 115.58 113.09 1dch h ASN 44 Ca -0.07 -0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.85 1dch h ASN 44 Cb 1.34 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.70 1dch h ASN 44 CO 0.03 0.60 -1.27 0.03 -0.37 0.00 0.00 177.43 176.45 1dch h ARG 45 N 1.04 0.02 0.00 6.67 3.08 -1.97 -2.32 114.38 120.91 1dch h ARG 45 Ca 0.37 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.27 1dch h ARG 45 Cb 0.13 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1dch h ARG 45 CO -0.13 0.85 -0.50 0.00 -1.07 0.00 0.00 179.97 179.12 1dch h ALA 46 N 0.95 0.70 0.13 0.04 0.00 -1.23 -0.97 119.26 118.88 1dch h ALA 46 Ca -0.12 -0.46 -0.26 0.00 0.00 0.00 0.00 54.91 54.08 1dch h ALA 46 Cb 1.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1dch h ALA 46 CO 0.12 0.63 -1.27 0.35 0.00 0.00 0.00 179.25 179.07 1dch h PHE 47 N 0.00 0.49 -0.83 0.00 3.57 -1.47 -2.83 116.94 115.88 1dch h PHE 47 Ca -0.01 -0.36 0.09 0.00 3.53 0.00 0.00 57.97 61.23 1dch h PHE 47 Cb 1.33 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.93 1dch h PHE 47 CO 0.00 1.49 -0.52 0.78 -2.23 0.00 0.00 178.31 177.83 1dch h GLY 48 N -0.03 -0.63 1.14 2.40 0.00 -1.37 0.48 103.07 105.05 1dch h GLY 48 Ca -0.26 0.69 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1dch h GLY 48 CO 0.09 -0.06 0.43 -2.75 0.00 0.00 0.00 176.54 174.25 1dch h PHE 49 N -0.11 1.11 0.63 5.60 3.57 -1.26 -2.65 116.94 123.84 1dch h PHE 49 Ca 0.18 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1dch h PHE 49 Cb 0.50 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.89 1dch h PHE 49 CO -0.90 0.77 -0.30 0.52 -2.23 0.00 0.00 178.31 176.18 1dch h MET 50 N 1.13 -0.82 0.00 1.11 2.86 -0.57 -1.69 114.93 116.95 1dch h MET 50 Ca 0.28 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1dch h MET 50 Cb 0.04 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1dch h MET 50 CO -0.04 -0.52 0.00 2.41 1.06 0.00 0.00 176.91 179.82 1dch n THR 51 N -5.43 0.00 -0.00 2.22 -1.04 0.14 0.20 114.28 110.37 1dch n THR 51 Ca -0.13 1.33 -0.00 0.00 -2.04 0.00 0.00 64.05 63.21 1dch n THR 51 Cb 0.36 -1.92 -0.00 0.00 -1.82 0.00 0.00 70.33 66.94 1dch n THR 51 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1dch n ARG 52 N -2.14 -0.00 0.02 -2.82 5.12 -1.02 0.33 116.66 116.15 1dch n ARG 52 Ca 0.00 0.01 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 1dch n ARG 52 Cb 0.00 -0.01 0.10 0.00 -1.16 0.00 0.00 32.46 31.39 1dch n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1dch h VAL 53 N 0.00 1.32 -0.53 1.55 2.07 -0.48 -3.08 116.25 117.10 1dch h VAL 53 Ca 0.00 -1.70 0.01 0.00 0.82 0.00 0.00 66.70 65.82 1dch h VAL 53 Cb 0.00 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1dch h VAL 53 CO -0.00 0.53 0.35 0.00 0.02 0.00 0.00 177.57 178.46 1dch h ALA 54 N 1.09 0.67 -0.98 1.67 0.00 0.97 0.88 119.26 123.56 1dch h ALA 54 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dch h ALA 54 Cb 0.99 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1dch h ALA 54 CO 0.09 0.11 0.65 -0.07 0.00 0.00 0.00 179.25 180.03 1dch h LEU 55 N 0.72 1.12 -0.28 0.00 3.38 -1.11 -0.90 115.31 118.25 1dch h LEU 55 Ca 0.19 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1dch h LEU 55 Cb -0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1dch h LEU 55 CO -0.04 0.81 -0.35 -0.61 0.09 0.00 0.00 178.44 178.34 1dch h GLN 56 N 1.33 0.73 0.08 1.13 5.75 -1.11 0.04 115.11 123.05 1dch h GLN 56 Ca 0.36 -0.41 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1dch h GLN 56 Cb -0.14 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 1dch h GLN 56 CO -0.08 1.03 -0.31 0.00 -2.65 0.00 0.00 178.83 176.82 1dch h ALA 57 N 0.69 -0.50 -0.42 3.38 0.00 0.17 0.30 119.26 122.87 1dch h ALA 57 Ca 0.04 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1dch h ALA 57 Cb 0.93 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1dch h ALA 57 CO 0.08 -0.84 0.06 1.49 0.00 0.00 0.00 179.25 180.04 1dch h GLU 58 N -0.51 0.18 0.36 0.00 4.57 -1.20 1.25 114.58 119.23 1dch h GLU 58 Ca 0.04 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1dch h GLU 58 Cb 0.56 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1dch h GLU 58 CO -0.21 0.12 -0.42 -0.22 -1.18 0.00 0.00 179.01 177.09 1dch h LYS 59 N 0.18 -0.79 0.00 1.92 1.63 0.01 -1.69 116.57 117.83 1dch h LYS 59 Ca 0.21 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1dch h LYS 59 Cb 0.27 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1dch h LYS 59 CO -0.29 -0.53 -0.05 -0.07 -3.45 0.00 0.00 179.45 175.06 1dch h LEU 60 N -0.82 0.00 -1.47 5.20 3.38 -0.04 -3.46 115.31 118.10 1dch h LEU 60 Ca -0.03 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 1dch h LEU 60 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1dch h LEU 60 CO -0.10 0.05 -0.81 -0.67 0.09 0.00 0.00 178.44 177.00 1dch n ASP 61 N -3.76 -2.47 -3.66 -0.43 2.03 0.43 -4.99 116.55 103.70 1dch n ASP 61 Ca -0.02 -0.85 -0.26 0.00 0.52 0.00 0.00 54.79 54.17 1dch n ASP 61 Cb 0.15 -3.72 -0.17 0.00 -0.72 0.00 0.00 41.12 36.66 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 -3.56 0.50 0.05 -0.67 2.46 -0.97 -5.01 115.29 108.08 1dch s HIS 62 Ca 0.29 -0.48 0.02 0.00 0.47 0.00 0.00 55.06 55.36 1dch s HIS 62 Cb -0.15 -0.81 -0.04 0.00 -0.13 0.00 0.00 32.58 31.45 1dch s HIS 62 CO 0.84 -0.53 0.07 -1.01 -2.47 0.00 0.00 174.74 171.64 1dch s HIS 63 N 2.04 3.19 0.35 3.88 3.76 -1.26 -4.44 115.29 122.81 1dch s HIS 63 Ca 0.01 0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 54.98 1dch s HIS 63 Cb -0.16 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 1dch s HIS 63 CO -0.08 0.52 0.63 -1.25 -0.85 0.00 0.00 174.74 173.71 1dch s PRO 64 N -2.12 3.62 -0.22 8.40 0.04 -1.26 -4.91 135.00 138.54 1dch s PRO 64 Ca 0.26 0.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 1dch s PRO 64 Cb -0.12 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 1dch s PRO 64 CO 0.18 0.08 0.24 -1.21 0.04 0.00 0.00 177.00 176.34 1dch s GLU 65 N -3.94 4.11 -0.05 4.56 2.02 -1.20 -5.07 118.70 119.13 1dch s GLU 65 Ca 0.45 -0.10 -0.22 0.00 0.02 0.00 0.00 54.97 55.12 1dch s GLU 65 Cb -0.10 -3.53 0.05 0.00 0.10 0.00 0.00 34.13 30.64 1dch s GLU 65 CO 0.34 0.03 0.50 1.67 0.02 0.00 0.00 175.26 177.82 1dch s TRP 66 N 1.12 -0.44 -0.04 1.61 1.48 -1.26 -3.11 118.94 118.30 1dch s TRP 66 Ca 0.12 0.78 0.03 0.00 -1.06 0.00 0.00 56.10 55.96 1dch s TRP 66 Cb -0.14 0.25 0.01 0.00 -1.16 0.00 0.00 33.47 32.43 1dch s TRP 66 CO 0.05 -0.48 -0.11 0.12 -4.06 0.00 0.00 176.95 172.48 1dch s PHE 67 N -1.10 1.16 0.07 1.66 2.19 -0.93 -4.93 117.98 116.10 1dch s PHE 67 Ca -0.11 -0.33 0.06 0.00 0.33 0.00 0.00 56.93 56.89 1dch s PHE 67 Cb -0.03 -0.83 -0.03 0.00 -1.31 0.00 0.00 43.02 40.82 1dch s PHE 67 CO 0.06 -0.15 -0.17 1.21 1.83 0.00 0.00 175.22 178.00 1dch s ASN 68 N 0.30 2.07 0.00 6.13 3.04 -1.26 -0.50 114.94 124.72 1dch s ASN 68 Ca -0.06 -0.61 0.00 0.00 0.04 0.00 0.00 52.86 52.24 1dch s ASN 68 Cb -0.11 -0.11 0.00 0.00 -1.54 0.00 0.00 41.25 39.49 1dch s ASN 68 CO 0.01 0.02 0.00 0.52 -3.04 0.00 0.00 177.10 174.61 1dch n VAL 69 N 1.37 0.00 0.00 -5.21 0.31 -0.85 -5.01 118.33 108.94 1dch n VAL 69 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1dch n VAL 69 Cb 0.54 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 -1.62 3.52 9.36 -1.26 -4.81 117.16 122.35 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 0.07 0.00 -0.63 0.00 0.00 39.34 38.78 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 -1.84 5.93 -3.69 2.98 6.94 -1.26 -4.15 115.26 120.17 1dch n ASN 71 Ca 0.00 -3.77 -0.17 0.00 -0.02 0.00 0.00 54.58 50.62 1dch n ASN 71 Cb 0.00 -0.68 -0.16 0.00 -2.36 0.00 0.00 39.78 36.58 1dch n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dch s LYS 72 N -3.66 0.01 0.11 -3.83 1.02 -1.26 0.43 119.74 112.57 1dch s LYS 72 Ca 0.57 0.47 0.05 0.00 0.02 0.00 0.00 55.97 57.08 1dch s LYS 72 Cb 0.46 -0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 1dch s LYS 72 CO 0.02 -0.28 0.04 0.08 -0.92 0.00 0.00 175.35 174.29 1dch s VAL 73 N 1.99 4.19 -0.03 3.17 1.01 -0.22 -2.01 120.40 128.49 1dch s VAL 73 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1dch s VAL 73 Cb -0.12 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1dch s VAL 73 CO -0.05 0.05 0.03 -1.00 0.00 0.00 0.00 175.10 174.13 1dch s HIS 74 N -1.46 0.16 -0.13 5.22 3.76 0.34 0.19 115.29 123.37 1dch s HIS 74 Ca 0.28 0.13 0.01 0.00 -0.15 0.00 0.00 55.06 55.32 1dch s HIS 74 Cb -0.11 -0.42 -0.01 0.00 1.11 0.00 0.00 32.58 33.15 1dch s HIS 74 CO 0.20 -0.16 -0.16 0.42 -0.85 0.00 0.00 174.74 174.19 1dch s ILE 75 N 1.57 2.66 -0.13 0.60 1.01 0.25 -2.20 121.20 124.95 1dch s ILE 75 Ca -0.02 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1dch s ILE 75 Cb -0.13 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1dch s ILE 75 CO -0.03 0.53 -0.20 -0.89 0.00 0.00 0.00 174.94 174.35 1dch s THR 76 N 0.54 1.89 0.40 2.92 2.01 -1.18 -0.85 115.64 121.37 1dch s THR 76 Ca -0.10 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.10 1dch s THR 76 Cb -0.16 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 1dch s THR 76 CO 0.04 0.52 0.11 -0.76 -0.69 0.00 0.00 174.62 173.84 1dch s LEU 77 N 0.92 3.04 0.00 4.42 1.43 -0.16 -3.27 118.68 125.06 1dch s LEU 77 Ca -0.06 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1dch s LEU 77 Cb -0.15 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1dch s LEU 77 CO -0.03 -0.47 0.00 -0.24 0.23 0.00 0.00 176.35 175.84 1dch n SER 78 N -1.13 0.00 -4.84 2.29 2.88 -1.26 -2.38 113.62 109.18 1dch n SER 78 Ca -0.03 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.14 1dch n SER 78 Cb 0.65 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 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 -1.63 5.34 -0.01 2.46 2.01 -1.12 -4.96 115.64 117.73 1dch s THR 79 Ca 0.00 0.43 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 1dch s THR 79 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1dch s THR 79 CO 0.00 0.57 0.64 -0.74 -0.69 0.00 0.00 174.62 174.40 1dch h HIS 80 N 5.22 -0.29 0.00 4.92 2.76 -1.97 -2.34 115.15 123.45 1dch h HIS 80 Ca -0.51 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 1dch h HIS 80 Cb 1.21 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1dch h HIS 80 CO 0.71 -0.18 0.00 -0.85 -1.30 0.00 0.00 177.93 176.32 1dch n GLU 81 N -3.43 0.00 -0.02 5.26 0.28 -1.26 -0.37 120.64 121.10 1dch n GLU 81 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1dch n GLU 81 Cb 0.12 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.57 1dch n GLU 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1dch n ALA 83 N 0.00 -2.68 0.00 0.00 0.00 0.50 -4.86 120.51 113.47 1dch n ALA 83 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1dch n ALA 83 Cb 0.51 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.75 0.16 3.58 0.00 0.00 -0.91 -4.94 105.19 101.33 1dch n GLY 84 Ca -0.19 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 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 3.00 0.00 0.99 4.77 -1.26 -2.80 117.00 121.70 1dch n LEU 85 Ca 0.00 0.72 -0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1dch n LEU 85 Cb 0.00 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1dch n LEU 85 CO 0.00 -2.21 0.21 -1.54 -1.33 0.00 0.00 177.39 172.52 1dch n SER 86 N -0.86 -0.40 -0.13 -1.43 3.41 -1.26 -1.47 113.62 111.48 1dch n SER 86 Ca 0.13 -1.19 -0.07 0.00 -0.26 0.00 0.00 58.87 57.48 1dch n SER 86 Cb 0.48 0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 1dch n SER 86 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1dch h GLU 87 N 0.00 -0.14 -1.27 4.33 4.81 -1.97 -1.95 114.58 118.40 1dch h GLU 87 Ca -0.06 0.01 0.37 0.00 -0.13 0.00 0.00 59.36 59.54 1dch h GLU 87 Cb 0.29 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1dch h GLU 87 CO 0.09 -0.09 0.91 0.00 -0.73 0.00 0.00 179.01 179.19 1dch h ARG 88 N -0.14 0.02 0.30 1.92 3.08 -1.98 0.63 114.38 118.20 1dch h ARG 88 Ca 0.06 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1dch h ARG 88 Cb 0.29 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1dch h ARG 88 CO -0.39 0.01 -0.15 -0.44 -1.07 0.00 0.00 179.97 177.94 1dch h ASP 89 N 0.02 -0.34 0.00 7.04 3.32 -1.75 -1.72 116.42 122.99 1dch h ASP 89 Ca 0.61 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1dch h ASP 89 Cb 2.41 0.09 0.00 0.00 0.22 0.00 0.00 39.33 42.05 1dch h ASP 89 CO -0.03 0.12 0.00 -0.38 -1.72 0.00 0.00 179.24 177.23 1dch n ILE 90 N -5.07 1.16 0.35 0.35 -0.00 -1.04 -1.89 119.36 113.22 1dch n ILE 90 Ca -0.08 0.71 0.06 0.00 -0.00 0.00 0.00 62.75 63.44 1dch n ILE 90 Cb 0.26 -1.71 0.08 0.00 -0.00 0.00 0.00 39.64 38.27 1dch n ILE 90 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1dch n ASN 91 N -2.16 2.25 0.00 4.38 2.85 0.18 -3.95 115.26 118.82 1dch n ASN 91 Ca -0.01 -1.62 0.00 0.00 -0.11 0.00 0.00 54.58 52.83 1dch n ASN 91 Cb 0.03 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1dch n ASN 91 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1dch n LEU 92 N 0.68 0.47 0.12 1.20 7.94 -0.67 -4.41 117.00 122.33 1dch n LEU 92 Ca 0.08 -0.56 -0.24 0.00 -1.11 0.00 0.00 56.01 54.19 1dch n LEU 92 Cb 0.34 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.14 1dch n LEU 92 CO 0.08 0.12 -0.16 0.00 -1.11 0.00 0.00 177.39 176.32 1dch h ALA 93 N 0.00 -0.13 0.00 1.96 0.00 -1.53 -1.16 119.26 118.40 1dch h ALA 93 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 54.91 53.97 1dch h ALA 93 Cb 0.13 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1dch h ALA 93 CO 0.00 0.62 -0.61 0.77 0.00 0.00 0.00 179.25 180.03 1dch h SER 94 N 0.05 0.00 -0.14 0.00 0.02 -1.81 0.52 113.55 112.19 1dch h SER 94 Ca -0.23 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 1dch h SER 94 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 1dch h SER 94 CO 0.25 0.61 -0.27 0.15 -1.14 0.00 0.00 176.83 176.43 1dch h PHE 95 N 0.00 0.55 0.00 3.45 3.04 -1.76 -2.18 116.94 120.03 1dch h PHE 95 Ca -0.01 -0.19 -0.10 0.00 3.98 0.00 0.00 57.97 61.65 1dch h PHE 95 Cb 1.37 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 1dch h PHE 95 CO 0.00 0.89 -0.46 0.82 -2.02 0.00 0.00 178.31 177.54 1dch h ILE 96 N 0.05 0.99 -0.49 1.41 2.04 -1.11 -2.57 117.51 117.83 1dch h ILE 96 Ca 0.01 -1.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.01 1dch h ILE 96 Cb 0.85 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1dch h ILE 96 CO 0.06 0.45 0.17 -0.08 0.00 0.00 0.00 178.15 178.75 1dch h GLU 97 N 0.00 0.71 0.21 2.37 4.57 0.27 -3.04 114.58 119.67 1dch h GLU 97 Ca -0.00 -0.11 -0.31 0.00 -1.18 0.00 0.00 59.36 57.75 1dch h GLU 97 Cb 1.06 -0.12 0.03 0.00 -0.16 0.00 0.00 28.75 29.55 1dch h GLU 97 CO 0.06 0.61 -1.44 0.37 -1.18 0.00 0.00 179.01 177.43 1dch h GLN 98 N 0.70 0.45 -0.85 1.92 4.15 -1.29 -3.30 115.11 116.89 1dch h GLN 98 Ca 0.17 -0.77 0.08 0.00 0.77 0.00 0.00 58.65 58.89 1dch h GLN 98 Cb 0.19 0.29 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 1dch h GLN 98 CO -0.01 1.37 0.51 0.28 -1.93 0.00 0.00 178.83 179.05 1dch h VAL 99 N 0.02 0.97 -0.50 2.39 2.07 -1.42 -3.05 116.25 116.73 1dch h VAL 99 Ca -0.26 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1dch h VAL 99 Cb 2.04 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1dch h VAL 99 CO 0.22 0.16 0.17 0.00 0.02 0.00 0.00 177.57 178.14 1dch h ALA 100 N 1.44 0.66 -0.85 1.67 0.00 -1.63 -1.33 119.26 119.21 1dch h ALA 100 Ca 0.39 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1dch h ALA 100 Cb 0.28 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1dch h ALA 100 CO -0.21 0.31 0.50 -0.39 0.00 0.00 0.00 179.25 179.45 1dch h VAL 101 N 0.68 0.92 -0.04 0.00 -1.51 -1.61 -0.25 116.25 114.45 1dch h VAL 101 Ca 0.16 -0.29 0.01 0.00 -1.23 0.00 0.00 66.70 65.36 1dch h VAL 101 Cb 0.26 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.43 1dch h VAL 101 CO -0.01 0.15 0.04 -1.28 -1.23 0.00 0.00 177.57 175.24 1dch h SER 102 N 0.83 0.00 0.00 4.19 0.87 -1.27 -3.36 113.55 114.81 1dch h SER 102 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1dch h SER 102 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1dch h SER 102 CO -0.24 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.29 1dch n MET 103 N -4.25 0.00 0.00 2.24 2.81 -0.11 -5.11 117.12 112.70 1dch n MET 103 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1dch n MET 103 Cb 0.13 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 1dch n MET 103 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89