#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxc s VAL 9 N 0.00 2.56 -0.19 0.52 1.01 -1.26 -5.11 120.40 117.93 2dxc s VAL 9 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 2dxc s VAL 9 Cb 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2dxc s VAL 9 CO 0.00 0.55 0.10 0.26 0.00 0.00 0.00 175.10 176.01 2dxc s TRP 10 N 0.16 3.32 -0.58 5.22 0.52 -1.26 -5.04 118.94 121.28 2dxc s TRP 10 Ca -0.10 0.19 -0.28 0.00 0.02 0.00 0.00 56.10 55.93 2dxc s TRP 10 Cb -0.16 -2.12 0.01 0.00 -1.15 0.00 0.00 33.47 30.05 2dxc s TRP 10 CO 0.06 0.20 1.48 0.34 0.02 0.00 0.00 176.95 179.05 2dxc s ASP 11 N 0.41 6.00 0.00 2.95 -1.08 -1.26 -4.85 116.67 118.83 2dxc s ASP 11 Ca 0.05 0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.55 2dxc s ASP 11 Cb -0.12 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.60 2dxc s ASP 11 CO -0.01 -1.82 1.59 0.54 0.52 0.00 0.00 175.17 175.99 2dxc n ARG 12 N 8.82 1.77 -0.00 4.34 1.74 -1.26 -4.04 116.66 128.03 2dxc n ARG 12 Ca 0.13 -1.15 0.04 0.00 -0.77 0.00 0.00 57.85 56.10 2dxc n ARG 12 Cb 0.49 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 2dxc n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dxc n THR 13 N 0.38 0.00 0.07 0.55 -2.24 -1.26 -4.78 114.28 107.00 2dxc n THR 13 Ca 0.17 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 2dxc n THR 13 Cb 0.36 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.20 2dxc n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dxc h HIS 14 N 0.00 -1.38 -0.11 4.78 6.17 -1.99 -1.15 115.15 121.47 2dxc h HIS 14 Ca 0.00 0.04 0.04 0.00 0.71 0.00 0.00 60.37 61.16 2dxc h HIS 14 Cb 0.27 0.60 -0.04 0.00 2.52 0.00 0.00 27.41 30.76 2dxc h HIS 14 CO 0.00 -0.54 -0.11 1.25 0.71 0.00 0.00 177.93 179.24 2dxc h HIS 15 N -0.64 -0.28 -0.95 5.26 6.17 -1.86 -2.27 115.15 120.58 2dxc h HIS 15 Ca 0.03 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.16 2dxc h HIS 15 Cb 0.70 0.14 -0.05 0.00 2.52 0.00 0.00 27.41 30.72 2dxc h HIS 15 CO -0.46 -0.17 0.62 0.00 0.71 0.00 0.00 177.93 178.63 2dxc h ALA 16 N 0.94 1.25 -0.89 5.26 0.00 -1.85 -0.99 119.26 122.98 2dxc h ALA 16 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2dxc h ALA 16 Cb 0.25 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2dxc h ALA 16 CO -0.20 0.52 0.49 0.87 0.00 0.00 0.00 179.25 180.94 2dxc h LYS 17 N 1.22 1.24 0.00 0.00 1.57 -0.75 -1.47 116.57 118.37 2dxc h LYS 17 Ca 0.37 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 2dxc h LYS 17 Cb -0.03 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2dxc h LYS 17 CO -0.11 0.90 -1.19 0.00 -0.57 0.00 0.00 179.45 178.48 2dxc h MET 18 N 1.24 0.00 0.00 3.15 -0.00 -1.04 -3.39 114.93 114.90 2dxc h MET 18 Ca 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.99 2dxc h MET 18 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2dxc h MET 18 CO -0.05 0.29 -1.91 0.00 -0.00 0.00 0.00 176.91 175.24 2dxc n ALA 19 N -2.34 2.70 -1.69 -3.00 0.00 -0.41 -4.82 120.51 110.95 2dxc n ALA 19 Ca -0.06 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.40 2dxc n ALA 19 Cb 0.79 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 2dxc n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dxc n THR 20 N -2.33 0.07 -0.90 0.00 -1.04 -0.56 0.34 114.28 109.86 2dxc n THR 20 Ca -0.05 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2dxc n THR 20 Cb 0.60 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 2dxc n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dxc n GLY 21 N 3.55 0.66 1.10 3.41 0.00 -1.26 -4.72 105.19 107.92 2dxc n GLY 21 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2dxc n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dxc n ILE 22 N -2.18 0.00 0.00 -0.61 2.08 -0.25 -5.16 119.36 113.25 2dxc n ILE 22 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2dxc n ILE 22 Cb 0.03 -1.01 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 2dxc n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dxc n GLY 23 N 2.55 1.12 3.15 7.39 0.00 0.15 -4.63 105.19 114.92 2dxc n GLY 23 Ca 0.00 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 2dxc n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dxc s ASP 24 N -0.34 2.58 -0.03 1.61 -1.08 -1.26 -0.79 116.67 117.37 2dxc s ASP 24 Ca 0.00 -0.46 0.05 0.00 -0.52 0.00 0.00 52.55 51.62 2dxc s ASP 24 Cb 0.00 -1.16 0.20 0.00 -1.46 0.00 0.00 42.92 40.50 2dxc s ASP 24 CO 0.00 0.12 1.00 -0.81 0.52 0.00 0.00 175.17 176.00 2dxc n PRO 25 N 3.60 1.76 -0.06 4.34 -0.04 -1.26 -4.96 135.00 138.37 2dxc n PRO 25 Ca -0.20 -0.79 0.12 0.00 -0.04 0.00 0.00 63.50 62.58 2dxc n PRO 25 Cb 0.52 -1.42 0.51 0.00 -0.04 0.00 0.00 33.50 33.07 2dxc n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dxc h GLN 26 N 1.14 0.37 0.00 0.54 7.50 -1.78 -1.57 115.11 121.32 2dxc h GLN 26 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2dxc h GLN 26 Cb 0.58 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.02 2dxc h GLN 26 CO 0.07 0.25 0.00 0.00 -1.50 0.00 0.00 178.83 177.64 2dxc n PHE 28 N -1.73 0.11 -1.64 0.00 3.72 -0.59 -5.00 117.46 112.33 2dxc n PHE 28 Ca 0.01 -0.07 -0.47 0.00 -0.05 0.00 0.00 57.45 56.87 2dxc n PHE 28 Cb 0.09 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 2dxc n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dxc n LYS 29 N 1.07 1.71 -0.35 -1.08 4.81 -0.75 -1.75 118.16 121.82 2dxc n LYS 29 Ca 0.12 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2dxc n LYS 29 Cb 0.48 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.27 2dxc n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dxc n GLY 30 N 2.43 2.22 0.04 3.14 0.00 -1.26 -4.89 105.19 106.88 2dxc n GLY 30 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2dxc n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dxc n MET 31 N -2.00 0.12 0.07 1.61 2.81 -0.72 -3.61 117.12 115.40 2dxc n MET 31 Ca 0.00 0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.09 2dxc n MET 31 Cb 0.00 -1.62 0.15 0.00 -0.71 0.00 0.00 33.22 31.04 2dxc n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dxc h ALA 32 N 2.78 0.57 -0.05 3.04 0.00 -1.78 -3.42 119.26 120.41 2dxc h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dxc h ALA 32 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2dxc h ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2dxc n GLY 33 N 1.32 -0.63 3.75 0.00 0.00 -1.24 -4.82 105.19 103.57 2dxc n GLY 33 Ca 0.03 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2dxc n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dxc s LYS 34 N 0.00 4.50 0.32 1.61 2.20 -1.26 -4.99 119.74 122.12 2dxc s LYS 34 Ca 0.00 1.95 -0.27 0.00 -0.36 0.00 0.00 55.97 57.28 2dxc s LYS 34 Cb 0.00 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 2dxc s LYS 34 CO 0.00 -0.03 1.06 -1.54 -0.36 0.00 0.00 175.35 174.47 2dxc s SER 35 N -0.29 7.13 0.26 1.43 1.04 -1.26 -4.95 113.70 117.06 2dxc s SER 35 Ca 0.50 2.14 0.13 0.00 0.48 0.00 0.00 55.95 59.20 2dxc s SER 35 Cb -0.34 -2.61 0.21 0.00 0.10 0.00 0.00 66.02 63.37 2dxc s SER 35 CO 0.42 -0.23 1.51 0.50 0.98 0.00 0.00 173.24 176.41 2dxc h LYS 36 N 3.35 0.00 -5.49 4.02 3.64 -1.97 -3.46 116.57 116.67 2dxc h LYS 36 Ca -0.47 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.44 2dxc h LYS 36 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 2dxc h LYS 36 CO 0.65 0.61 -0.69 -0.06 -2.27 0.00 0.00 179.45 177.69 2dxc s PHE 37 N -3.16 1.85 0.19 1.91 0.08 -1.26 -5.13 117.98 112.46 2dxc s PHE 37 Ca 0.01 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.45 2dxc s PHE 37 Cb 0.10 -1.01 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 2dxc s PHE 37 CO 0.75 0.28 -0.11 -0.80 -0.10 0.00 0.00 175.22 175.23 2dxc s ASN 38 N -3.40 2.30 0.24 1.36 -0.87 -1.26 -5.06 114.94 108.24 2dxc s ASN 38 Ca 0.27 -1.05 -0.31 0.00 -1.57 0.00 0.00 52.86 50.21 2dxc s ASN 38 Cb 0.03 -0.09 -0.14 0.00 -0.02 0.00 0.00 41.25 41.03 2dxc s ASN 38 CO 0.10 -0.26 1.29 0.52 -2.57 0.00 0.00 177.10 176.19 2dxc n VAL 39 N -0.34 1.15 0.00 1.60 0.31 -1.26 -1.49 118.33 118.30 2dxc n VAL 39 Ca -0.08 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2dxc n VAL 39 Cb 0.61 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 2dxc n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dxc n GLY 40 N 1.88 2.92 3.77 2.92 0.00 0.70 -5.01 105.19 112.37 2dxc n GLY 40 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2dxc n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dxc s ASP 41 N -1.22 6.08 -0.21 1.61 1.01 -0.56 -4.72 116.67 118.66 2dxc s ASP 41 Ca 0.00 2.40 -0.13 0.00 0.71 0.00 0.00 52.55 55.54 2dxc s ASP 41 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2dxc s ASP 41 CO 0.00 -0.99 0.25 -0.13 0.21 0.00 0.00 175.17 174.51 2dxc s ARG 42 N -2.66 4.16 0.07 8.23 1.81 -1.26 -1.41 118.95 127.89 2dxc s ARG 42 Ca 0.64 -0.06 0.04 0.00 -1.72 0.00 0.00 55.73 54.64 2dxc s ARG 42 Cb -0.31 -3.50 -0.03 0.00 -0.45 0.00 0.00 34.95 30.66 2dxc s ARG 42 CO 0.38 0.11 -0.13 0.14 -0.68 0.00 0.00 175.30 175.12 2dxc s VAL 43 N 0.90 0.97 -0.04 3.52 -7.23 -0.35 -1.54 120.40 116.64 2dxc s VAL 43 Ca 0.13 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2dxc s VAL 43 Cb -0.13 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 2dxc s VAL 43 CO 0.04 -0.28 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.94 2dxc s ARG 44 N -1.76 2.83 -0.29 4.82 3.52 -0.18 -0.64 118.95 127.25 2dxc s ARG 44 Ca -0.03 -0.54 -0.23 0.00 -0.13 0.00 0.00 55.73 54.80 2dxc s ARG 44 Cb -0.10 -2.69 -0.00 0.00 -1.56 0.00 0.00 34.95 30.60 2dxc s ARG 44 CO 0.02 0.65 0.75 0.42 -0.81 0.00 0.00 175.30 176.33 2dxc s ILE 45 N -0.97 4.85 0.30 4.11 1.09 -0.33 -2.50 121.20 127.74 2dxc s ILE 45 Ca 0.16 1.19 -0.29 0.00 -1.10 0.00 0.00 60.65 60.61 2dxc s ILE 45 Cb -0.11 -4.09 -0.10 0.00 -1.06 0.00 0.00 42.46 37.10 2dxc s ILE 45 CO 0.06 -0.16 1.18 -0.54 -0.10 0.00 0.00 174.94 175.38 2dxc s LYS 46 N 2.81 4.54 -1.28 2.79 1.02 0.69 -0.19 119.74 130.13 2dxc s LYS 46 Ca 0.31 1.95 -0.11 0.00 0.02 0.00 0.00 55.97 58.14 2dxc s LYS 46 Cb -0.15 -3.15 0.15 0.00 -0.52 0.00 0.00 37.83 34.17 2dxc s LYS 46 CO 0.11 0.06 1.79 -3.47 -0.92 0.00 0.00 175.35 172.92 2dxc n ASP 47 N 1.09 5.02 -4.79 2.83 2.03 -1.26 -4.75 116.55 116.72 2dxc n ASP 47 Ca -0.01 -3.05 -0.34 0.00 0.52 0.00 0.00 54.79 51.91 2dxc n ASP 47 Cb 0.44 -1.53 -0.00 0.00 -0.72 0.00 0.00 41.12 39.31 2dxc n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dxc s LEU 48 N 0.63 3.69 0.23 -2.67 1.43 -1.26 -4.95 118.68 115.78 2dxc s LEU 48 Ca 0.41 1.98 -0.31 0.00 -1.03 0.00 0.00 54.13 55.19 2dxc s LEU 48 Cb 0.07 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.58 2dxc s LEU 48 CO -0.00 -1.09 1.22 -2.65 0.23 0.00 0.00 176.35 174.06 2dxc n PRO 49 N -1.47 1.55 -0.04 1.29 -0.02 -1.26 -4.89 135.00 130.15 2dxc n PRO 49 Ca 0.10 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 2dxc n PRO 49 Cb 0.52 -2.08 0.13 0.00 -0.02 0.00 0.00 33.50 32.05 2dxc n PRO 49 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dxc n ASP 50 N 1.81 3.10 -4.57 2.55 10.43 -1.26 -4.99 116.55 123.62 2dxc n ASP 50 Ca 0.12 -1.99 -0.56 0.00 2.57 0.00 0.00 54.79 54.93 2dxc n ASP 50 Cb 0.29 -0.06 -0.07 0.00 1.84 0.00 0.00 41.12 43.12 2dxc n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2dxc n LEU 51 N 1.37 1.04 0.00 0.64 7.94 -1.26 -2.68 117.00 124.06 2dxc n LEU 51 Ca 0.15 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 2dxc n LEU 51 Cb 0.60 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.47 2dxc n LEU 51 CO 0.15 -1.33 0.00 0.49 -1.11 0.00 0.00 177.39 175.59 2dxc n PHE 52 N 2.35 0.00 -3.59 1.96 3.72 -1.26 -4.81 117.46 115.82 2dxc n PHE 52 Ca 0.20 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.49 2dxc n PHE 52 Cb 0.14 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 2dxc n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2dxc s TYR 53 N 0.00 -0.42 -0.17 1.38 5.04 -1.09 -5.16 117.35 116.92 2dxc s TYR 53 Ca 0.00 0.82 -0.30 0.00 -2.44 0.00 0.00 57.07 55.15 2dxc s TYR 53 Cb 0.00 0.42 0.13 0.00 0.35 0.00 0.00 41.96 42.86 2dxc s TYR 53 CO 0.00 -0.32 1.04 -0.08 -1.34 0.00 0.00 175.55 174.84 2dxc s THR 54 N -0.70 0.00 -0.07 4.34 -1.32 -1.26 -4.82 115.64 111.81 2dxc s THR 54 Ca -0.01 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.57 2dxc s THR 54 Cb -0.02 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.13 2dxc s THR 54 CO -0.00 0.00 1.05 0.54 -2.21 0.00 0.00 174.62 174.00 2dxc n ARG 55 N 0.71 1.52 -3.55 7.08 1.74 -1.26 -4.89 116.66 118.01 2dxc n ARG 55 Ca -0.09 -1.96 -0.41 0.00 -0.77 0.00 0.00 57.85 54.62 2dxc n ARG 55 Cb 0.58 -1.18 -0.07 0.00 -1.02 0.00 0.00 32.46 30.77 2dxc n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dxc s THR 56 N -1.83 4.36 0.25 0.55 2.01 -1.26 -5.00 115.64 114.72 2dxc s THR 56 Ca 0.17 -2.26 -0.27 0.00 0.31 0.00 0.00 61.69 59.64 2dxc s THR 56 Cb 0.15 -3.82 -0.16 0.00 0.01 0.00 0.00 72.50 68.69 2dxc s THR 56 CO 0.02 -0.86 0.64 0.23 -0.69 0.00 0.00 174.62 173.96 2dxc n MET 57 N 4.31 0.44 -0.14 4.92 2.81 -1.26 -4.87 117.12 123.33 2dxc n MET 57 Ca 0.01 0.15 0.06 0.00 -1.81 0.00 0.00 57.70 56.11 2dxc n MET 57 Cb 0.41 -1.28 0.37 0.00 -0.71 0.00 0.00 33.22 32.00 2dxc n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dxc h THR 58 N 1.24 1.05 0.00 2.03 2.02 -1.99 -2.14 112.91 115.12 2dxc h THR 58 Ca -0.33 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2dxc h THR 58 Cb 1.41 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2dxc h THR 58 CO 0.57 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.59 2dxc n TYR 59 N -4.47 0.50 0.23 3.16 0.18 -1.26 -1.75 117.16 113.76 2dxc n TYR 59 Ca 0.09 0.25 0.11 0.00 1.88 0.00 0.00 57.90 60.22 2dxc n TYR 59 Cb 0.17 -0.89 -0.07 0.00 -0.38 0.00 0.00 39.34 38.17 2dxc n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dxc n THR 60 N -2.00 0.21 -1.66 -3.48 -2.24 -0.81 -4.90 114.28 99.39 2dxc n THR 60 Ca -0.00 -0.41 -0.48 0.00 -2.27 0.00 0.00 64.05 60.89 2dxc n THR 60 Cb 0.06 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 2dxc n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dxc n ARG 61 N -2.24 1.98 -0.51 -0.78 5.12 -0.71 -1.69 116.66 117.81 2dxc n ARG 61 Ca -0.01 0.72 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 2dxc n ARG 61 Cb 0.52 -2.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.33 2dxc n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxc n GLY 62 N 3.55 1.87 3.90 -0.13 0.00 0.74 -4.98 105.19 110.14 2dxc n GLY 62 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2dxc n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dxc s ALA 63 N -3.47 3.42 -0.07 4.61 0.00 -0.68 -4.71 121.76 120.85 2dxc s ALA 63 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2dxc s ALA 63 Cb 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 2dxc s ALA 63 CO 0.00 -0.23 -0.14 0.99 0.00 0.00 0.00 175.76 176.38 2dxc s THR 64 N -2.61 3.09 0.26 0.00 2.01 -1.26 -1.18 115.64 115.96 2dxc s THR 64 Ca 0.47 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.84 2dxc s THR 64 Cb -0.10 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2dxc s THR 64 CO 0.41 0.57 0.22 0.61 -0.69 0.00 0.00 174.62 175.74 2dxc n GLY 65 N 2.64 3.15 3.35 4.40 0.00 0.19 -4.68 105.19 114.24 2dxc n GLY 65 Ca -0.17 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 2dxc n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dxc s THR 66 N -3.07 2.96 -0.02 2.61 2.01 -0.33 -1.21 115.64 118.59 2dxc s THR 66 Ca 0.31 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2dxc s THR 66 Cb 0.02 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2dxc s THR 66 CO 0.22 0.53 1.31 -0.63 -0.69 0.00 0.00 174.62 175.36 2dxc s ILE 67 N 0.37 3.95 -0.60 1.82 1.09 -0.50 -0.83 121.20 126.49 2dxc s ILE 67 Ca -0.11 1.31 0.07 0.00 -1.10 0.00 0.00 60.65 60.82 2dxc s ILE 67 Cb -0.16 -3.84 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 2dxc s ILE 67 CO 0.06 -0.00 0.48 1.33 -0.10 0.00 0.00 174.94 176.71 2dxc n VAL 68 N 4.64 0.00 -3.64 2.92 0.24 -0.20 -0.22 118.33 122.07 2dxc n VAL 68 Ca 0.12 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.34 61.97 2dxc n VAL 68 Cb 0.45 1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 2dxc n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dxc s ARG 69 N -1.27 0.24 -0.57 7.34 3.52 -1.22 -4.90 118.95 122.10 2dxc s ARG 69 Ca 0.05 0.24 -0.18 0.00 -0.13 0.00 0.00 55.73 55.72 2dxc s ARG 69 Cb 0.06 0.12 0.11 0.00 -1.56 0.00 0.00 34.95 33.68 2dxc s ARG 69 CO 0.21 -0.04 0.61 -0.51 -0.81 0.00 0.00 175.30 174.76 2dxc s LEU 70 N -0.09 5.73 0.14 -0.88 1.02 -1.26 -0.75 118.68 122.60 2dxc s LEU 70 Ca 0.06 -1.58 -0.11 0.00 0.02 0.00 0.00 54.13 52.52 2dxc s LEU 70 Cb -0.04 -2.26 -0.03 0.00 0.02 0.00 0.00 46.19 43.87 2dxc s LEU 70 CO -0.11 -0.99 1.49 -0.37 0.02 0.00 0.00 176.35 176.40 2dxc h VAL 71 N 5.91 1.27 0.00 -1.59 -1.51 -1.80 -3.49 116.25 115.03 2dxc h VAL 71 Ca -0.30 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 2dxc h VAL 71 Cb 1.09 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2dxc h VAL 71 CO 1.07 0.51 0.00 0.00 -1.23 0.00 0.00 177.57 177.91 2dxc n TYR 72 N -4.09 0.00 -4.82 5.19 0.18 -1.25 -5.05 117.16 107.31 2dxc n TYR 72 Ca -0.02 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.45 2dxc n TYR 72 Cb 0.51 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.34 2dxc n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dxc s GLU 73 N -1.98 2.16 -0.11 -3.48 2.02 -1.26 -1.49 118.70 114.55 2dxc s GLU 73 Ca 0.00 -0.92 -0.33 0.00 0.02 0.00 0.00 54.97 53.75 2dxc s GLU 73 Cb 0.00 -2.20 0.12 0.00 0.10 0.00 0.00 34.13 32.16 2dxc s GLU 73 CO 0.00 0.56 1.10 0.45 0.02 0.00 0.00 175.26 177.39 2dxc s SER 74 N -1.14 -0.21 0.57 -0.19 0.15 -0.67 -4.55 113.70 107.66 2dxc s SER 74 Ca 0.13 -0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.58 2dxc s SER 74 Cb -0.10 0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 64.39 2dxc s SER 74 CO 0.03 -0.38 1.16 -2.84 1.20 0.00 0.00 173.24 172.42 2dxc s PRO 75 N -2.67 3.16 0.54 5.44 0.02 -1.26 -1.53 135.00 138.70 2dxc s PRO 75 Ca 0.08 1.70 -0.21 0.00 0.02 0.00 0.00 61.00 62.60 2dxc s PRO 75 Cb -0.01 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 2dxc s PRO 75 CO -0.06 -1.03 1.22 0.00 -0.33 0.00 0.00 177.00 176.80 2dxc s ALA 76 N -1.71 2.73 0.37 -1.55 0.00 -1.26 -4.76 121.76 115.58 2dxc s ALA 76 Ca 0.75 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.79 2dxc s ALA 76 Cb -0.27 -3.44 0.74 0.00 0.00 0.00 0.00 23.12 20.15 2dxc s ALA 76 CO 0.30 -1.02 2.00 0.00 0.00 0.00 0.00 175.76 177.05 2dxc h ALA 77 N 1.35 1.66 -0.19 0.00 0.00 -1.98 0.24 119.26 120.34 2dxc h ALA 77 Ca -0.50 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.43 2dxc h ALA 77 Cb 1.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2dxc h ALA 77 CO 0.57 0.28 0.20 0.93 0.00 0.00 0.00 179.25 181.23 2dxc h GLU 78 N 0.74 0.00 0.00 0.00 3.07 -1.90 -0.89 114.58 115.60 2dxc h GLU 78 Ca 0.24 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.70 2dxc h GLU 78 Cb 0.06 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.91 2dxc h GLU 78 CO -0.07 0.00 -2.45 -0.25 -1.40 0.00 0.00 179.01 174.84 2dxc n ASP 79 N -3.85 2.00 -0.26 1.42 8.00 -0.27 -4.51 116.55 119.08 2dxc n ASP 79 Ca 0.02 0.03 0.04 0.00 0.71 0.00 0.00 54.79 55.58 2dxc n ASP 79 Cb 0.33 -0.53 0.26 0.00 -0.02 0.00 0.00 41.12 41.16 2dxc n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dxc h GLU 80 N -0.34 0.94 0.00 -1.24 4.81 -0.81 -0.68 114.58 117.26 2dxc h GLU 80 Ca -0.60 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2dxc h GLU 80 Cb 1.77 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2dxc h GLU 80 CO -0.20 0.63 0.00 0.00 -0.73 0.00 0.00 179.01 178.70 2dxc n ALA 81 N -2.41 1.55 -0.73 2.92 0.00 -0.36 -1.96 120.51 119.53 2dxc n ALA 81 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2dxc n ALA 81 Cb 0.17 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.53 2dxc n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dxc n PHE 82 N -1.44 0.00 -1.02 0.00 3.72 -0.53 -4.98 117.46 113.20 2dxc n PHE 82 Ca 0.03 -0.79 -0.01 0.00 -0.05 0.00 0.00 57.45 56.64 2dxc n PHE 82 Cb 0.12 -0.11 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2dxc n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dxc n GLY 83 N -1.06 0.47 3.24 1.37 0.00 -0.83 -5.02 105.19 103.37 2dxc n GLY 83 Ca 0.10 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2dxc n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dxc s ASN 84 N -2.71 5.56 -0.03 1.61 0.02 -0.38 -4.90 114.94 114.12 2dxc s ASN 84 Ca 0.00 -1.60 0.06 0.00 -1.02 0.00 0.00 52.86 50.30 2dxc s ASN 84 Cb 0.00 -1.96 0.14 0.00 0.02 0.00 0.00 41.25 39.46 2dxc s ASN 84 CO 0.00 -0.54 1.11 -0.62 0.02 0.00 0.00 177.10 177.07 2dxc n GLU 85 N 4.86 2.75 0.14 -0.60 1.02 -1.26 -3.00 120.64 124.55 2dxc n GLU 85 Ca -0.09 -1.85 0.06 0.00 -0.02 0.00 0.00 57.16 55.25 2dxc n GLU 85 Cb 0.42 -1.18 0.52 0.00 -0.02 0.00 0.00 31.44 31.19 2dxc n GLU 85 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dxc h GLU 86 N 0.62 0.24 -5.80 3.49 4.11 -1.97 -3.42 114.58 111.85 2dxc h GLU 86 Ca 0.00 -0.02 -0.67 0.00 0.07 0.00 0.00 59.36 58.74 2dxc h GLU 86 Cb 0.68 -0.05 -0.20 0.00 0.50 0.00 0.00 28.75 29.67 2dxc h GLU 86 CO 0.01 0.19 -0.68 -0.80 0.07 0.00 0.00 179.01 177.79 2dxc s ASN 87 N -6.90 4.69 -0.03 3.06 0.01 -1.26 -5.11 114.94 109.41 2dxc s ASN 87 Ca -0.06 -0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.08 2dxc s ASN 87 Cb 0.17 -1.42 -0.01 0.00 0.41 0.00 0.00 41.25 40.39 2dxc s ASN 87 CO 0.70 0.29 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.67 2dxc s VAL 88 N -0.35 1.72 0.15 1.60 1.01 -1.26 -4.08 120.40 119.18 2dxc s VAL 88 Ca 0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2dxc s VAL 88 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2dxc s VAL 88 CO 0.02 0.49 0.05 -1.83 0.00 0.00 0.00 175.10 173.83 2dxc s GLU 89 N -0.36 0.99 0.30 2.72 -1.05 -0.58 -4.14 118.70 116.58 2dxc s GLU 89 Ca 0.04 -1.48 -0.28 0.00 -0.15 0.00 0.00 54.97 53.11 2dxc s GLU 89 Cb -0.10 0.15 -0.09 0.00 -0.44 0.00 0.00 34.13 33.65 2dxc s GLU 89 CO 0.00 -0.25 1.04 -1.58 0.95 0.00 0.00 175.26 175.42 2dxc s TRP 90 N -3.99 3.60 -0.08 4.83 0.52 -1.26 -1.67 118.94 120.90 2dxc s TRP 90 Ca 0.26 1.74 0.01 0.00 0.02 0.00 0.00 56.10 58.12 2dxc s TRP 90 Cb 0.07 -3.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.21 2dxc s TRP 90 CO 0.03 -0.29 -0.08 -0.06 0.02 0.00 0.00 176.95 176.57 2dxc s PHE 91 N -1.32 2.91 0.02 -1.98 0.40 -0.56 -0.70 117.98 116.75 2dxc s PHE 91 Ca 0.47 -0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.82 2dxc s PHE 91 Cb -0.27 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2dxc s PHE 91 CO 0.35 0.26 -0.23 0.71 0.70 0.00 0.00 175.22 177.00 2dxc s TYR 92 N -0.64 2.05 -0.24 0.36 2.02 -0.77 -2.21 117.35 117.92 2dxc s TYR 92 Ca 0.10 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.25 2dxc s TYR 92 Cb -0.11 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2dxc s TYR 92 CO 0.02 0.05 0.39 0.45 -1.57 0.00 0.00 175.55 174.89 2dxc s SER 93 N -0.93 6.35 -0.06 2.29 0.15 0.07 -1.30 113.70 120.28 2dxc s SER 93 Ca 0.09 0.41 0.05 0.00 0.70 0.00 0.00 55.95 57.20 2dxc s SER 93 Cb -0.09 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 2dxc s SER 93 CO 0.01 -0.14 -0.20 -0.63 1.20 0.00 0.00 173.24 173.48 2dxc s ILE 94 N 1.71 2.50 -0.21 6.45 1.01 0.45 -1.03 121.20 132.08 2dxc s ILE 94 Ca 0.17 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 2dxc s ILE 94 Cb -0.15 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 2dxc s ILE 94 CO 0.09 0.57 0.05 -0.69 0.00 0.00 0.00 174.94 174.95 2dxc s VAL 95 N -0.33 4.34 0.02 2.92 1.01 -0.01 -1.80 120.40 126.54 2dxc s VAL 95 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2dxc s VAL 95 Cb -0.13 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2dxc s VAL 95 CO 0.02 0.40 -0.05 -0.36 0.00 0.00 0.00 175.10 175.11 2dxc s PHE 96 N 1.05 2.91 0.02 5.22 0.08 0.43 -1.19 117.98 126.50 2dxc s PHE 96 Ca 0.03 -0.03 -0.28 0.00 0.12 0.00 0.00 56.93 56.77 2dxc s PHE 96 Cb -0.14 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2dxc s PHE 96 CO 0.03 0.40 0.90 0.00 -0.10 0.00 0.00 175.22 176.45 2dxc s ALA 97 N -1.05 3.23 0.35 5.36 0.00 -1.26 -1.05 121.76 127.33 2dxc s ALA 97 Ca 0.18 0.45 0.09 0.00 0.00 0.00 0.00 51.96 52.68 2dxc s ALA 97 Cb -0.11 -3.22 0.81 0.00 0.00 0.00 0.00 23.12 20.59 2dxc s ALA 97 CO 0.09 -0.13 1.85 1.96 0.00 0.00 0.00 175.76 179.52 2dxc h GLN 98 N 6.42 0.69 0.00 0.00 1.08 -1.68 0.19 115.11 121.81 2dxc h GLN 98 Ca -0.42 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2dxc h GLN 98 Cb 1.21 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2dxc h GLN 98 CO 0.74 0.45 -0.01 1.57 -0.95 0.00 0.00 178.83 180.63 2dxc h LYS 99 N 0.71 0.00 -0.00 1.46 2.10 -1.82 -0.28 116.57 118.73 2dxc h LYS 99 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 2dxc h LYS 99 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2dxc h LYS 99 CO -0.24 0.01 -0.23 -0.25 -2.00 0.00 0.00 179.45 176.74 2dxc n ASP 100 N -3.20 0.30 -0.11 7.07 8.00 0.05 -4.09 116.55 124.57 2dxc n ASP 100 Ca -0.02 -0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.29 2dxc n ASP 100 Cb 0.14 -0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.04 2dxc n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dxc n LEU 101 N -1.40 2.38 -4.19 0.64 4.77 -0.24 -4.88 117.00 114.10 2dxc n LEU 101 Ca 0.08 0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 2dxc n LEU 101 Cb 0.33 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 2dxc n LEU 101 CO 0.30 0.68 -0.36 0.26 -1.33 0.00 0.00 177.39 176.94 2dxc s TRP 102 N -2.41 3.23 0.39 -1.77 0.52 -0.49 -5.00 118.94 113.42 2dxc s TRP 102 Ca -0.29 -1.78 0.17 0.00 0.02 0.00 0.00 56.10 54.22 2dxc s TRP 102 Cb 0.09 -2.11 1.07 0.00 -1.15 0.00 0.00 33.47 31.37 2dxc s TRP 102 CO 0.44 -0.78 1.78 -1.35 0.02 0.00 0.00 176.95 177.06 2dxc h PRO 103 N 8.01 0.42 -0.00 4.98 0.11 -1.87 -1.01 132.00 142.64 2dxc h PRO 103 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2dxc h PRO 103 Cb 1.07 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2dxc h PRO 103 CO 0.54 0.28 -0.07 -0.85 -0.21 0.00 0.00 178.00 177.69 2dxc n GLU 104 N -4.62 0.77 -1.68 1.05 0.00 -1.26 -4.92 120.64 109.98 2dxc n GLU 104 Ca 0.24 -0.22 -0.45 0.00 0.00 0.00 0.00 57.16 56.74 2dxc n GLU 104 Cb 0.82 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.73 2dxc n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dxc n TYR 105 N -0.93 2.27 -2.48 -1.84 9.36 -0.38 -4.91 117.16 118.24 2dxc n TYR 105 Ca 0.16 0.34 -0.41 0.00 3.32 0.00 0.00 57.90 61.31 2dxc n TYR 105 Cb 0.25 -2.51 -0.04 0.00 -0.63 0.00 0.00 39.34 36.41 2dxc n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dxc s SER 106 N 0.60 7.23 0.47 2.98 0.15 -1.26 -4.91 113.70 118.95 2dxc s SER 106 Ca 0.73 2.15 0.32 0.00 0.70 0.00 0.00 55.95 59.84 2dxc s SER 106 Cb -0.65 -2.61 1.55 0.00 -1.71 0.00 0.00 66.02 62.60 2dxc s SER 106 CO 0.44 -0.24 1.96 0.44 1.20 0.00 0.00 173.24 177.04 2dxc h ASP 107 N 4.94 0.00 -0.01 5.45 3.32 -1.99 -1.57 116.42 126.56 2dxc h ASP 107 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 2dxc h ASP 107 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2dxc h ASP 107 CO 0.72 0.00 -0.06 0.74 -1.72 0.00 0.00 179.24 178.92 2dxc h THR 108 N 0.00 1.12 -2.08 0.35 2.02 -2.01 -2.53 112.91 109.78 2dxc h THR 108 Ca 0.00 -0.52 -0.68 0.00 0.77 0.00 0.00 66.41 65.97 2dxc h THR 108 Cb 0.21 1.10 -0.35 0.00 -1.74 0.00 0.00 68.15 67.37 2dxc h THR 108 CO 0.00 0.17 0.11 0.49 0.37 0.00 0.00 175.52 176.66 2dxc n PHE 109 N -4.36 3.39 0.31 3.16 3.72 -0.59 -4.86 117.46 118.22 2dxc n PHE 109 Ca -0.01 -3.13 0.20 0.00 -0.05 0.00 0.00 57.45 54.45 2dxc n PHE 109 Cb 0.20 -0.73 0.97 0.00 -0.94 0.00 0.00 39.48 38.99 2dxc n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxc h ALA 110 N 3.26 1.00 -0.02 4.37 0.00 -1.56 -3.07 119.26 123.24 2dxc h ALA 110 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dxc h ALA 110 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2dxc h ALA 110 CO 1.03 0.00 -0.31 0.09 0.00 0.00 0.00 179.25 180.07 2dxc n ASN 111 N -2.94 2.27 -4.77 0.00 3.02 -1.26 -4.96 115.26 106.63 2dxc n ASN 111 Ca -0.02 -1.64 -0.39 0.00 -0.03 0.00 0.00 54.58 52.50 2dxc n ASN 111 Cb 0.13 0.30 0.01 0.00 -0.61 0.00 0.00 39.78 39.62 2dxc n ASN 111 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dxc s ASP 112 N -2.32 5.97 0.24 6.41 1.01 -1.16 -4.95 116.67 121.86 2dxc s ASP 112 Ca 0.22 2.80 0.01 0.00 0.71 0.00 0.00 52.55 56.30 2dxc s ASP 112 Cb 0.19 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 2dxc s ASP 112 CO 0.48 -1.10 0.17 0.42 0.21 0.00 0.00 175.17 175.35 2dxc s THR 113 N -1.24 0.01 -0.04 -1.27 -4.23 -1.26 -1.83 115.64 105.79 2dxc s THR 113 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2dxc s THR 113 Cb -0.41 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.95 2dxc s THR 113 CO 0.52 0.00 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.38 2dxc s LEU 114 N -3.22 1.15 -0.10 4.79 0.20 -0.21 -4.81 118.68 116.48 2dxc s LEU 114 Ca 0.39 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 55.19 2dxc s LEU 114 Cb 0.06 -0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.52 2dxc s LEU 114 CO 0.16 -0.10 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.23 2dxc s GLU 115 N 1.08 2.99 0.20 1.98 2.12 -1.26 -0.43 118.70 125.38 2dxc s GLU 115 Ca -0.09 -0.81 -0.14 0.00 0.36 0.00 0.00 54.97 54.30 2dxc s GLU 115 Cb -0.14 -2.38 0.01 0.00 0.26 0.00 0.00 34.13 31.88 2dxc s GLU 115 CO -0.01 0.28 0.44 -0.08 -0.54 0.00 0.00 175.26 175.34 2dxc s THR 116 N 0.13 0.03 -0.11 -1.70 -1.32 -0.75 -4.97 115.64 106.96 2dxc s THR 116 Ca -0.10 -1.13 -0.04 0.00 -1.21 0.00 0.00 61.69 59.21 2dxc s THR 116 Cb -0.16 -1.82 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 2dxc s THR 116 CO 0.06 -0.15 0.04 -1.61 -2.21 0.00 0.00 174.62 170.75 2dxc s GLU 117 N -3.94 3.22 -0.02 7.08 2.02 -1.26 -0.41 118.70 125.39 2dxc s GLU 117 Ca 0.15 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2dxc s GLU 117 Cb 0.00 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.32 2dxc s GLU 117 CO 0.01 0.65 -0.00 0.42 0.02 0.00 0.00 175.26 176.36 2dxc s ILE 118 N -0.72 0.15 0.61 -1.63 -1.09 -0.42 -4.92 121.20 113.18 2dxc s ILE 118 Ca 0.12 0.04 -0.16 0.00 -2.23 0.00 0.00 60.65 58.41 2dxc s ILE 118 Cb -0.12 -0.20 -0.02 0.00 -1.58 0.00 0.00 42.46 40.53 2dxc s ILE 118 CO 0.02 0.10 1.09 -2.16 -1.23 0.00 0.00 174.94 172.76 2dxc s PRO 119 N 0.63 3.11 0.42 2.79 0.04 -1.26 -1.85 135.00 138.88 2dxc s PRO 119 Ca -0.06 1.34 0.23 0.00 0.04 0.00 0.00 61.00 62.55 2dxc s PRO 119 Cb -0.09 -2.00 1.22 0.00 0.04 0.00 0.00 34.50 33.68 2dxc s PRO 119 CO -0.01 -1.00 1.73 1.49 0.04 0.00 0.00 177.00 179.26 2dxc h GLU 120 N 0.39 0.28 -0.36 4.56 4.81 -1.26 -2.22 114.58 120.77 2dxc h GLU 120 Ca -0.47 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 2dxc h GLU 120 Cb 1.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2dxc h GLU 120 CO 0.56 0.18 0.34 0.07 -0.73 0.00 0.00 179.01 179.43 2dxc h ARG 121 N 0.28 0.00 -0.01 1.92 0.11 -1.91 -1.33 114.38 113.44 2dxc h ARG 121 Ca 0.65 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.73 2dxc h ARG 121 Cb 1.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.92 2dxc h ARG 121 CO -0.31 0.00 -0.27 0.66 0.10 0.00 0.00 179.97 180.16 2dxc n TYR 122 N -3.92 0.00 -3.81 4.08 4.02 -0.84 -4.93 117.16 111.77 2dxc n TYR 122 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.60 2dxc n TYR 122 Cb 0.51 -0.13 -0.05 0.00 -0.02 0.00 0.00 39.34 39.64 2dxc n TYR 122 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dxc s LEU 123 N -2.53 4.38 -0.05 7.72 1.43 -0.50 -0.22 118.68 128.89 2dxc s LEU 123 Ca 0.24 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2dxc s LEU 123 Cb 0.19 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2dxc s LEU 123 CO 0.53 0.28 0.17 -1.83 0.23 0.00 0.00 176.35 175.73 2dxc s GLU 124 N -1.68 0.26 0.15 1.70 -1.05 -1.04 -4.94 118.70 112.09 2dxc s GLU 124 Ca 0.26 0.13 -0.34 0.00 -0.15 0.00 0.00 54.97 54.86 2dxc s GLU 124 Cb -0.13 0.12 -0.15 0.00 -0.44 0.00 0.00 34.13 33.53 2dxc s GLU 124 CO 0.15 -0.04 1.30 1.17 0.95 0.00 0.00 175.26 178.79 2dxc n LYS 125 N 2.69 1.40 0.00 -4.83 3.00 -1.26 -1.01 118.16 118.15 2dxc n LYS 125 Ca -0.14 0.50 0.13 0.00 -0.00 0.00 0.00 58.31 58.80 2dxc n LYS 125 Cb 0.58 -2.10 0.78 0.00 0.00 0.00 0.00 35.03 34.29 2dxc n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40