#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxc n PRO 8 N 0.00 1.35 -4.54 1.97 -0.02 -1.26 -4.97 135.00 127.53 2dxc n PRO 8 Ca 0.00 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 2dxc n PRO 8 Cb 0.00 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.17 2dxc n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dxc s VAL 9 N 0.90 2.77 -0.20 -1.45 1.01 -1.26 -5.11 120.40 117.07 2dxc s VAL 9 Ca 0.85 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2dxc s VAL 9 Cb -0.91 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2dxc s VAL 9 CO 0.47 0.51 0.23 0.26 0.00 0.00 0.00 175.10 176.57 2dxc s TRP 10 N 0.77 3.39 -0.53 5.22 0.52 -1.26 -5.03 118.94 122.01 2dxc s TRP 10 Ca -0.06 0.41 -0.28 0.00 0.02 0.00 0.00 56.10 56.20 2dxc s TRP 10 Cb -0.15 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 29.88 2dxc s TRP 10 CO 0.01 0.16 1.38 0.34 0.02 0.00 0.00 176.95 178.86 2dxc s ASP 11 N 0.71 6.21 0.00 2.95 -1.08 -1.26 -4.86 116.67 119.35 2dxc s ASP 11 Ca 0.12 0.37 0.23 0.00 -0.52 0.00 0.00 52.55 52.75 2dxc s ASP 11 Cb -0.13 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.58 2dxc s ASP 11 CO 0.03 -1.62 1.58 0.54 0.52 0.00 0.00 175.17 176.22 2dxc n ARG 12 N 8.51 1.79 -0.00 4.34 1.74 -1.26 -4.16 116.66 127.61 2dxc n ARG 12 Ca 0.13 -1.17 0.05 0.00 -0.77 0.00 0.00 57.85 56.09 2dxc n ARG 12 Cb 0.49 -1.43 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.40 0.00 -0.04 0.55 -2.24 -1.26 -4.76 114.28 106.93 2dxc n THR 13 Ca 0.17 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2dxc n THR 13 Cb 0.37 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.06 -0.20 4.78 6.17 -2.00 -1.28 115.15 121.56 2dxc h HIS 14 Ca 0.00 0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.15 2dxc h HIS 14 Cb 0.37 0.50 -0.02 0.00 2.52 0.00 0.00 27.41 30.78 2dxc h HIS 14 CO 0.00 -0.43 0.08 1.25 0.71 0.00 0.00 177.93 179.54 2dxc h HIS 15 N -0.40 0.15 -0.19 5.26 6.17 -1.87 -1.96 115.15 122.31 2dxc h HIS 15 Ca 0.11 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.20 2dxc h HIS 15 Cb 0.58 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.47 2dxc h HIS 15 CO -0.49 0.08 0.12 0.00 0.71 0.00 0.00 177.93 178.35 2dxc h ALA 16 N 1.11 0.24 -0.49 5.26 0.00 -1.81 0.69 119.26 124.26 2dxc h ALA 16 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dxc h ALA 16 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2dxc h ALA 16 CO -0.07 -0.28 0.32 0.87 0.00 0.00 0.00 179.25 180.08 2dxc h LYS 17 N 0.25 0.65 0.19 0.00 1.57 -1.13 -0.30 116.57 117.79 2dxc h LYS 17 Ca 0.07 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 2dxc h LYS 17 Cb -0.03 -0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.17 2dxc h LYS 17 CO -0.01 0.44 -1.37 1.98 -0.57 0.00 0.00 179.45 179.92 2dxc h MET 18 N 0.67 0.50 0.00 3.15 4.05 -0.94 -3.38 114.93 118.97 2dxc h MET 18 Ca 0.18 -0.80 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 2dxc h MET 18 Cb -0.07 0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 2dxc h MET 18 CO -0.04 1.37 -1.11 0.00 0.23 0.00 0.00 176.91 177.36 2dxc n ALA 19 N -2.66 4.44 -1.69 0.39 0.00 0.20 -4.86 120.51 116.33 2dxc n ALA 19 Ca -0.14 -0.58 -0.45 0.00 0.00 0.00 0.00 53.44 52.28 2dxc n ALA 19 Cb 1.06 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.61 0.08 -0.66 0.00 -1.04 -0.14 -0.02 114.28 110.89 2dxc n THR 20 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2dxc n THR 20 Cb 0.36 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 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 3.74 1.10 0.88 3.41 0.00 -1.26 -4.74 105.19 108.32 2dxc n GLY 21 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.39 0.00 -0.61 2.08 -0.10 -5.16 119.36 113.96 2dxc n ILE 22 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2dxc n ILE 22 Cb 0.00 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.31 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 2.83 1.56 3.09 7.39 0.00 0.98 -4.67 105.19 116.36 2dxc n GLY 23 Ca -0.07 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 2.19 -0.01 1.61 -1.08 -1.26 -0.85 116.67 117.28 2dxc s ASP 24 Ca 0.00 -0.38 0.04 0.00 -0.52 0.00 0.00 52.55 51.69 2dxc s ASP 24 Cb 0.00 -1.01 0.13 0.00 -1.46 0.00 0.00 42.92 40.58 2dxc s ASP 24 CO 0.00 0.07 1.06 -0.81 0.52 0.00 0.00 175.17 176.02 2dxc n PRO 25 N 3.72 1.38 -0.32 4.34 -0.04 -1.26 -4.95 135.00 137.86 2dxc n PRO 25 Ca -0.22 -0.53 0.14 0.00 -0.04 0.00 0.00 63.50 62.86 2dxc n PRO 25 Cb 0.52 -1.17 0.37 0.00 -0.04 0.00 0.00 33.50 33.17 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 0.83 0.67 0.00 0.54 7.50 -1.80 -0.58 115.11 122.27 2dxc h GLN 26 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2dxc h GLN 26 Cb 0.26 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.64 2dxc h GLN 26 CO 0.01 0.45 0.00 0.00 -1.50 0.00 0.00 178.83 177.79 2dxc n PHE 28 N -1.49 0.00 -1.64 0.00 3.72 -0.22 -5.01 117.46 112.82 2dxc n PHE 28 Ca 0.01 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 2dxc n PHE 28 Cb 0.03 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.97 1.75 -0.01 -1.08 4.81 -0.49 -1.84 118.16 122.27 2dxc n LYS 29 Ca 0.10 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2dxc n LYS 29 Cb 0.43 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 2.19 2.73 0.01 3.14 0.00 -1.26 -4.88 105.19 107.12 2dxc n GLY 30 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 0.02 0.07 1.61 2.81 -0.77 -3.59 117.12 115.27 2dxc n MET 31 Ca 0.00 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.02 2dxc n MET 31 Cb 0.00 -1.53 0.12 0.00 -0.71 0.00 0.00 33.22 31.10 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 2.96 0.53 0.00 3.04 0.00 -1.77 -3.41 119.26 120.60 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 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 1.31 -0.96 3.76 0.00 0.00 -1.24 -4.82 105.19 103.23 2dxc n GLY 33 Ca 0.02 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 4.58 0.28 1.61 2.20 -1.26 -4.99 119.74 122.16 2dxc s LYS 34 Ca 0.00 1.88 -0.29 0.00 -0.36 0.00 0.00 55.97 57.20 2dxc s LYS 34 Cb 0.00 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 2dxc s LYS 34 CO 0.00 0.11 1.07 -1.54 -0.36 0.00 0.00 175.35 174.62 2dxc s SER 35 N -0.67 7.29 0.28 1.43 1.04 -1.26 -4.95 113.70 116.86 2dxc s SER 35 Ca 0.46 2.19 0.14 0.00 0.48 0.00 0.00 55.95 59.22 2dxc s SER 35 Cb -0.33 -2.62 0.30 0.00 0.10 0.00 0.00 66.02 63.47 2dxc s SER 35 CO 0.42 -0.12 1.56 0.50 0.98 0.00 0.00 173.24 176.58 2dxc h LYS 36 N 3.76 0.00 -5.32 4.02 3.64 -1.97 -3.46 116.57 117.24 2dxc h LYS 36 Ca -0.47 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.42 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 0.67 0.58 -0.61 -0.06 -2.27 0.00 0.00 179.45 177.75 2dxc s PHE 37 N -3.30 2.04 0.14 1.91 0.08 -1.26 -5.12 117.98 112.48 2dxc s PHE 37 Ca 0.01 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.18 2dxc s PHE 37 Cb 0.10 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 2dxc s PHE 37 CO 0.74 0.10 0.01 -0.80 -0.10 0.00 0.00 175.22 175.17 2dxc s ASN 38 N -3.51 0.88 0.22 1.36 -0.87 -1.26 -5.08 114.94 106.68 2dxc s ASN 38 Ca 0.35 -1.15 -0.32 0.00 -1.57 0.00 0.00 52.86 50.17 2dxc s ASN 38 Cb 0.08 0.17 -0.14 0.00 -0.02 0.00 0.00 41.25 41.35 2dxc s ASN 38 CO 0.15 -0.61 1.38 0.52 -2.57 0.00 0.00 177.10 175.98 2dxc n VAL 39 N -0.15 0.82 0.00 1.60 0.31 -1.26 -1.61 118.33 118.04 2dxc n VAL 39 Ca -0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2dxc n VAL 39 Cb 0.63 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 2.27 3.46 3.77 2.92 0.00 0.22 -5.01 105.19 112.82 2dxc n GLY 40 Ca 0.13 0.00 -0.39 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 -0.88 6.22 -0.24 1.61 1.01 -0.63 -4.70 116.67 119.05 2dxc s ASP 41 Ca 0.00 2.60 -0.14 0.00 0.71 0.00 0.00 52.55 55.72 2dxc s ASP 41 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2dxc s ASP 41 CO 0.00 -0.91 0.34 -0.13 0.21 0.00 0.00 175.17 174.68 2dxc s ARG 42 N -2.35 4.07 0.08 8.23 1.81 -1.26 -1.33 118.95 128.20 2dxc s ARG 42 Ca 0.59 0.03 0.06 0.00 -1.72 0.00 0.00 55.73 54.69 2dxc s ARG 42 Cb -0.37 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.50 2dxc s ARG 42 CO 0.46 -0.14 -0.15 0.14 -0.68 0.00 0.00 175.30 174.93 2dxc s VAL 43 N 1.66 1.24 -0.07 3.52 -7.23 -0.46 -0.85 120.40 118.20 2dxc s VAL 43 Ca 0.15 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 2dxc s VAL 43 Cb -0.15 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2dxc s VAL 43 CO 0.08 -0.22 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.98 2dxc s ARG 44 N -1.88 2.77 -0.28 4.82 3.52 -0.08 -0.55 118.95 127.26 2dxc s ARG 44 Ca 0.01 -0.55 -0.27 0.00 -0.13 0.00 0.00 55.73 54.79 2dxc s ARG 44 Cb -0.09 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.71 2dxc s ARG 44 CO 0.03 0.65 0.95 0.42 -0.81 0.00 0.00 175.30 176.53 2dxc s ILE 45 N -0.77 4.69 0.31 4.11 -1.09 -0.06 -2.55 121.20 125.83 2dxc s ILE 45 Ca 0.12 1.64 -0.29 0.00 -2.23 0.00 0.00 60.65 59.89 2dxc s ILE 45 Cb -0.11 -4.26 -0.10 0.00 -1.58 0.00 0.00 42.46 36.41 2dxc s ILE 45 CO 0.01 -0.27 1.17 -0.54 -1.23 0.00 0.00 174.94 174.09 2dxc s LYS 46 N 3.20 4.49 -1.25 2.79 1.02 0.18 -0.66 119.74 129.51 2dxc s LYS 46 Ca 0.40 1.94 -0.10 0.00 0.02 0.00 0.00 55.97 58.22 2dxc s LYS 46 Cb -0.14 -3.10 0.18 0.00 -0.52 0.00 0.00 37.83 34.25 2dxc s LYS 46 CO 0.11 0.03 1.75 -3.47 -0.92 0.00 0.00 175.35 172.85 2dxc n ASP 47 N 0.95 5.19 -4.79 2.83 2.03 -1.26 -4.77 116.55 116.73 2dxc n ASP 47 Ca -0.00 -3.10 -0.34 0.00 0.52 0.00 0.00 54.79 51.87 2dxc n ASP 47 Cb 0.44 -1.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 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 0.10 3.75 0.29 -2.67 1.43 -1.26 -4.95 118.68 115.37 2dxc s LEU 48 Ca 0.40 1.97 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 2dxc s LEU 48 Cb 0.06 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.59 2dxc s LEU 48 CO 0.01 -0.98 1.09 -2.65 0.23 0.00 0.00 176.35 174.04 2dxc n PRO 49 N -1.28 1.53 -0.35 1.29 -0.02 -1.26 -4.90 135.00 130.00 2dxc n PRO 49 Ca 0.10 0.54 0.07 0.00 -2.02 0.00 0.00 63.50 62.18 2dxc n PRO 49 Cb 0.52 -1.96 0.18 0.00 -0.02 0.00 0.00 33.50 32.22 2dxc n PRO 49 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dxc n ASP 50 N 1.19 2.42 -4.71 2.55 5.75 -1.26 -5.03 116.55 117.46 2dxc n ASP 50 Ca 0.09 -3.38 -0.43 0.00 -0.01 0.00 0.00 54.79 51.05 2dxc n ASP 50 Cb 0.32 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 39.89 2dxc n ASP 50 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2dxc n LEU 51 N -1.18 3.76 0.00 -2.12 7.94 -1.26 -3.25 117.00 120.89 2dxc n LEU 51 Ca 0.20 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.22 2dxc n LEU 51 Cb 0.74 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 43.17 2dxc n LEU 51 CO 0.04 -0.09 0.00 0.49 -1.11 0.00 0.00 177.39 176.72 2dxc n PHE 52 N 2.56 0.00 -3.61 1.96 3.72 -1.26 -4.83 117.46 115.99 2dxc n PHE 52 Ca 0.12 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.44 2dxc n PHE 52 Cb 0.34 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.31 -0.18 1.38 5.04 -1.20 -5.17 117.35 116.90 2dxc s TYR 53 Ca 0.00 0.61 -0.30 0.00 -2.44 0.00 0.00 57.07 54.95 2dxc s TYR 53 Cb 0.00 0.44 0.14 0.00 0.35 0.00 0.00 41.96 42.89 2dxc s TYR 53 CO 0.00 -0.24 1.07 -0.08 -1.34 0.00 0.00 175.55 174.96 2dxc s THR 54 N -0.69 0.00 -0.10 4.34 -1.32 -1.26 -4.83 115.64 111.78 2dxc s THR 54 Ca 0.02 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.64 2dxc s THR 54 Cb -0.02 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.18 2dxc s THR 54 CO -0.03 0.00 1.10 0.54 -2.21 0.00 0.00 174.62 174.02 2dxc n ARG 55 N 0.66 1.60 -3.55 7.08 1.74 -1.26 -4.88 116.66 118.06 2dxc n ARG 55 Ca -0.08 -2.26 -0.41 0.00 -0.77 0.00 0.00 57.85 54.33 2dxc n ARG 55 Cb 0.58 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.33 4.34 0.23 0.55 2.01 -1.26 -5.00 115.64 114.18 2dxc s THR 56 Ca 0.23 -2.13 -0.29 0.00 0.31 0.00 0.00 61.69 59.82 2dxc s THR 56 Cb 0.20 -3.82 -0.16 0.00 0.01 0.00 0.00 72.50 68.74 2dxc s THR 56 CO 0.02 -0.84 0.78 0.23 -0.69 0.00 0.00 174.62 174.12 2dxc n MET 57 N 4.47 0.65 -0.24 4.92 2.81 -1.26 -4.87 117.12 123.60 2dxc n MET 57 Ca -0.01 0.23 0.06 0.00 -1.81 0.00 0.00 57.70 56.16 2dxc n MET 57 Cb 0.41 -1.42 0.31 0.00 -0.71 0.00 0.00 33.22 31.81 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 1.55 1.03 0.00 2.03 2.02 -1.98 -1.73 112.91 115.83 2dxc h THR 58 Ca -0.34 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2dxc h THR 58 Cb 1.39 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2dxc h THR 58 CO 0.59 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.64 2dxc n TYR 59 N -4.49 0.56 0.40 3.16 0.18 -1.26 -1.83 117.16 113.88 2dxc n TYR 59 Ca 0.12 0.28 0.11 0.00 1.88 0.00 0.00 57.90 60.29 2dxc n TYR 59 Cb 0.23 -0.94 -0.05 0.00 -0.38 0.00 0.00 39.34 38.20 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 -2.06 0.17 -1.67 -3.48 -2.24 -0.65 -4.91 114.28 99.43 2dxc n THR 60 Ca -0.00 -0.33 -0.46 0.00 -2.27 0.00 0.00 64.05 60.99 2dxc n THR 60 Cb 0.06 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.09 2.21 -0.60 -0.78 5.12 -0.76 -1.74 116.66 118.03 2dxc n ARG 61 Ca 0.00 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 2dxc n ARG 61 Cb 0.48 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.19 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 3.58 1.79 3.89 -0.13 0.00 0.16 -4.99 105.19 109.50 2dxc n GLY 62 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.59 3.36 -0.09 4.61 0.00 -0.71 -4.74 121.76 120.60 2dxc s ALA 63 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2dxc s ALA 63 Cb 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 2dxc s ALA 63 CO 0.00 -0.26 -0.18 0.99 0.00 0.00 0.00 175.76 176.31 2dxc s THR 64 N -2.65 2.65 0.21 0.00 2.01 -1.26 -0.88 115.64 115.72 2dxc s THR 64 Ca 0.49 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.70 2dxc s THR 64 Cb -0.10 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2dxc s THR 64 CO 0.41 0.55 0.15 0.61 -0.69 0.00 0.00 174.62 175.65 2dxc n GLY 65 N 3.15 3.42 3.31 4.40 0.00 0.28 -4.66 105.19 115.09 2dxc n GLY 65 Ca -0.18 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.72 2.78 0.04 2.61 2.01 -0.38 -1.36 115.64 118.61 2dxc s THR 66 Ca 0.21 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 61.15 2dxc s THR 66 Cb 0.01 -2.16 -0.06 0.00 0.01 0.00 0.00 72.50 70.30 2dxc s THR 66 CO 0.15 0.53 1.34 -0.63 -0.69 0.00 0.00 174.62 175.31 2dxc s ILE 67 N 0.49 3.71 -0.34 1.82 1.01 -0.45 -0.99 121.20 126.45 2dxc s ILE 67 Ca -0.11 1.17 0.06 0.00 0.00 0.00 0.00 60.65 61.77 2dxc s ILE 67 Cb -0.16 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2dxc s ILE 67 CO 0.05 0.04 0.31 1.33 0.00 0.00 0.00 174.94 176.67 2dxc n VAL 68 N 4.29 0.00 -3.63 2.92 0.24 -0.16 -0.61 118.33 121.39 2dxc n VAL 68 Ca 0.12 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 2dxc n VAL 68 Cb 0.44 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.38 0.33 -0.59 7.34 3.52 -1.22 -4.91 118.95 122.04 2dxc s ARG 69 Ca 0.03 0.30 -0.17 0.00 -0.13 0.00 0.00 55.73 55.76 2dxc s ARG 69 Cb 0.04 0.16 0.13 0.00 -1.56 0.00 0.00 34.95 33.72 2dxc s ARG 69 CO 0.21 -0.06 0.61 -0.51 -0.81 0.00 0.00 175.30 174.74 2dxc s LEU 70 N -0.15 5.92 0.11 -0.88 1.02 -1.26 -0.77 118.68 122.66 2dxc s LEU 70 Ca 0.04 -1.74 -0.13 0.00 0.02 0.00 0.00 54.13 52.32 2dxc s LEU 70 Cb -0.04 -2.25 -0.08 0.00 0.02 0.00 0.00 46.19 43.84 2dxc s LEU 70 CO -0.08 -0.93 1.42 -0.37 0.02 0.00 0.00 176.35 176.40 2dxc h VAL 71 N 5.81 1.29 0.00 -1.59 -1.51 -1.84 -3.49 116.25 114.92 2dxc h VAL 71 Ca -0.26 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 2dxc h VAL 71 Cb 1.09 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2dxc h VAL 71 CO 1.04 0.50 0.00 0.00 -1.23 0.00 0.00 177.57 177.89 2dxc n TYR 72 N -4.16 0.00 -4.76 5.19 0.18 -1.25 -5.05 117.16 107.31 2dxc n TYR 72 Ca -0.04 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.43 2dxc n TYR 72 Cb 0.53 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.36 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 -2.00 2.17 -0.16 -3.48 2.02 -1.26 -1.32 118.70 114.68 2dxc s GLU 73 Ca 0.00 -0.91 -0.33 0.00 0.02 0.00 0.00 54.97 53.74 2dxc s GLU 73 Cb 0.00 -2.22 0.13 0.00 0.10 0.00 0.00 34.13 32.14 2dxc s GLU 73 CO 0.00 0.56 1.14 0.45 0.02 0.00 0.00 175.26 177.43 2dxc s SER 74 N -1.23 -0.19 0.58 -0.19 0.15 -0.64 -4.57 113.70 107.61 2dxc s SER 74 Ca 0.14 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.62 2dxc s SER 74 Cb -0.10 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2dxc s SER 74 CO 0.04 -0.30 1.18 -2.84 1.20 0.00 0.00 173.24 172.52 2dxc s PRO 75 N -2.41 3.07 0.53 5.44 0.02 -1.26 -1.69 135.00 138.70 2dxc s PRO 75 Ca 0.08 1.74 -0.21 0.00 0.02 0.00 0.00 61.00 62.63 2dxc s PRO 75 Cb -0.01 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 2dxc s PRO 75 CO -0.05 -1.10 1.24 0.00 -0.33 0.00 0.00 177.00 176.75 2dxc s ALA 76 N -1.68 2.78 0.43 -1.55 0.00 -1.26 -4.77 121.76 115.71 2dxc s ALA 76 Ca 0.76 1.09 0.11 0.00 0.00 0.00 0.00 51.96 53.91 2dxc s ALA 76 Cb -0.28 -3.46 0.96 0.00 0.00 0.00 0.00 23.12 20.33 2dxc s ALA 76 CO 0.32 -1.05 2.02 0.00 0.00 0.00 0.00 175.76 177.04 2dxc h ALA 77 N 1.47 1.71 -0.08 0.00 0.00 -1.98 -0.01 119.26 120.36 2dxc h ALA 77 Ca -0.50 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.33 2dxc h ALA 77 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2dxc h ALA 77 CO 0.58 0.22 0.09 0.93 0.00 0.00 0.00 179.25 181.07 2dxc h GLU 78 N 0.22 0.00 0.00 0.00 3.07 -1.90 0.19 114.58 116.17 2dxc h GLU 78 Ca 0.05 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.51 2dxc h GLU 78 Cb 0.17 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.01 2dxc h GLU 78 CO 0.00 0.00 -2.47 -0.25 -1.40 0.00 0.00 179.01 174.89 2dxc n ASP 79 N -3.81 1.99 -0.37 1.42 8.00 -0.43 -4.50 116.55 118.85 2dxc n ASP 79 Ca -0.01 -0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.46 2dxc n ASP 79 Cb 0.19 -0.51 0.13 0.00 -0.02 0.00 0.00 41.12 40.91 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 -0.26 1.29 0.00 -1.24 4.81 -0.84 -0.17 114.58 118.17 2dxc h GLU 80 Ca -0.60 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2dxc h GLU 80 Cb 1.81 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.90 2dxc h GLU 80 CO -0.18 0.85 0.00 0.00 -0.73 0.00 0.00 179.01 178.96 2dxc n ALA 81 N -2.38 1.32 -1.15 2.92 0.00 0.04 -1.61 120.51 119.64 2dxc n ALA 81 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 2dxc n ALA 81 Cb 0.03 -1.15 0.14 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.62 0.00 -1.17 0.00 3.72 -0.67 -4.98 117.46 112.74 2dxc n PHE 82 Ca 0.01 -1.03 -0.06 0.00 -0.05 0.00 0.00 57.45 56.33 2dxc n PHE 82 Cb 0.09 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.37 0.81 3.19 1.37 0.00 -0.64 -5.01 105.19 103.55 2dxc n GLY 83 Ca 0.16 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.77 5.52 -0.05 1.61 0.02 -0.16 -4.92 114.94 114.19 2dxc s ASN 84 Ca 0.00 -1.84 0.10 0.00 -1.02 0.00 0.00 52.86 50.10 2dxc s ASN 84 Cb 0.00 -1.94 0.26 0.00 0.02 0.00 0.00 41.25 39.59 2dxc s ASN 84 CO 0.00 -0.60 1.20 -0.62 0.02 0.00 0.00 177.10 177.10 2dxc n GLU 85 N 4.80 2.70 0.26 -0.60 1.02 -1.26 -3.23 120.64 124.32 2dxc n GLU 85 Ca -0.07 -2.13 0.12 0.00 -0.02 0.00 0.00 57.16 55.06 2dxc n GLU 85 Cb 0.41 -1.34 0.68 0.00 -0.02 0.00 0.00 31.44 31.17 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 1.12 0.00 -5.45 3.49 9.09 -1.97 -3.42 114.58 117.43 2dxc h GLU 86 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 2dxc h GLU 86 Cb 0.85 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 27.73 2dxc h GLU 86 CO 0.04 0.14 -0.69 -0.80 0.05 0.00 0.00 179.01 177.76 2dxc s ASN 87 N -6.17 4.65 -0.00 3.06 0.01 -1.26 -5.11 114.94 110.12 2dxc s ASN 87 Ca -0.02 -0.14 0.07 0.00 -0.71 0.00 0.00 52.86 52.06 2dxc s ASN 87 Cb 0.13 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 40.12 2dxc s ASN 87 CO 0.59 0.20 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.47 2dxc s VAL 88 N 0.14 1.86 0.16 1.60 1.01 -1.26 -4.09 120.40 119.82 2dxc s VAL 88 Ca -0.02 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 2dxc s VAL 88 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2dxc s VAL 88 CO 0.03 0.46 0.11 -1.83 0.00 0.00 0.00 175.10 173.87 2dxc s GLU 89 N -0.72 1.06 0.32 2.72 -1.05 -0.68 -4.22 118.70 116.13 2dxc s GLU 89 Ca 0.09 -1.48 -0.27 0.00 -0.15 0.00 0.00 54.97 53.16 2dxc s GLU 89 Cb -0.09 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 2dxc s GLU 89 CO -0.00 -0.33 1.05 -1.58 0.95 0.00 0.00 175.26 175.35 2dxc s TRP 90 N -4.08 3.51 -0.06 4.83 0.52 -1.26 -1.63 118.94 120.78 2dxc s TRP 90 Ca 0.29 1.71 0.02 0.00 0.02 0.00 0.00 56.10 58.14 2dxc s TRP 90 Cb 0.07 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.19 2dxc s TRP 90 CO 0.06 -0.41 -0.09 -0.06 0.02 0.00 0.00 176.95 176.46 2dxc s PHE 91 N -1.39 2.86 0.02 -1.98 0.40 -0.43 -0.87 117.98 116.60 2dxc s PHE 91 Ca 0.50 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 2dxc s PHE 91 Cb -0.27 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 2dxc s PHE 91 CO 0.34 0.30 -0.19 0.71 0.70 0.00 0.00 175.22 177.07 2dxc s TYR 92 N -0.81 1.67 -0.22 0.36 2.02 -0.44 -2.45 117.35 117.49 2dxc s TYR 92 Ca 0.13 -0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.33 2dxc s TYR 92 Cb -0.11 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2dxc s TYR 92 CO 0.02 0.04 0.34 0.45 -1.57 0.00 0.00 175.55 174.82 2dxc s SER 93 N -0.89 6.34 -0.02 2.29 0.15 0.05 -0.87 113.70 120.74 2dxc s SER 93 Ca 0.07 0.40 0.08 0.00 0.70 0.00 0.00 55.95 57.19 2dxc s SER 93 Cb -0.08 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 2dxc s SER 93 CO 0.01 -0.05 -0.25 -0.63 1.20 0.00 0.00 173.24 173.51 2dxc s ILE 94 N 1.30 2.02 -0.20 6.45 1.01 0.14 -0.99 121.20 130.93 2dxc s ILE 94 Ca 0.16 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 2dxc s ILE 94 Cb -0.14 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2dxc s ILE 94 CO 0.07 0.57 -0.01 -0.69 0.00 0.00 0.00 174.94 174.89 2dxc s VAL 95 N -0.54 3.87 0.05 2.92 1.01 -0.16 -1.67 120.40 125.88 2dxc s VAL 95 Ca 0.08 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2dxc s VAL 95 Cb -0.10 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2dxc s VAL 95 CO -0.00 0.43 -0.04 -0.36 0.00 0.00 0.00 175.10 175.12 2dxc s PHE 96 N 1.05 2.92 0.03 5.22 0.08 0.46 -1.25 117.98 126.49 2dxc s PHE 96 Ca 0.02 -0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.75 2dxc s PHE 96 Cb -0.14 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2dxc s PHE 96 CO 0.01 0.43 0.88 0.00 -0.10 0.00 0.00 175.22 176.45 2dxc s ALA 97 N -1.15 3.26 0.36 5.36 0.00 -1.26 -1.16 121.76 127.17 2dxc s ALA 97 Ca 0.21 0.43 0.09 0.00 0.00 0.00 0.00 51.96 52.69 2dxc s ALA 97 Cb -0.11 -3.18 0.84 0.00 0.00 0.00 0.00 23.12 20.66 2dxc s ALA 97 CO 0.13 -0.08 1.88 1.96 0.00 0.00 0.00 175.76 179.64 2dxc h GLN 98 N 6.18 0.65 0.00 0.00 1.08 -1.63 0.50 115.11 121.89 2dxc h GLN 98 Ca -0.42 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 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 0.73 0.43 -0.03 1.57 -0.95 0.00 0.00 178.83 180.58 2dxc h LYS 99 N 0.67 0.00 -0.00 1.46 2.10 -1.81 -0.88 116.57 118.10 2dxc h LYS 99 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 2dxc h LYS 99 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2dxc h LYS 99 CO -0.19 0.03 -0.16 -0.25 -2.00 0.00 0.00 179.45 176.88 2dxc n ASP 100 N -3.89 0.23 -0.10 7.07 8.00 0.16 -4.07 116.55 123.96 2dxc n ASP 100 Ca -0.03 0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 2dxc n ASP 100 Cb 0.11 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.37 2.35 -4.17 0.64 4.77 -0.43 -4.87 117.00 113.91 2dxc n LEU 101 Ca 0.09 0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 2dxc n LEU 101 Cb 0.32 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.61 2dxc n LEU 101 CO 0.28 0.67 -0.36 0.26 -1.33 0.00 0.00 177.39 176.91 2dxc s TRP 102 N -2.39 3.26 0.47 -1.77 0.52 -0.65 -5.00 118.94 113.39 2dxc s TRP 102 Ca -0.28 -1.89 0.26 0.00 0.02 0.00 0.00 56.10 54.21 2dxc s TRP 102 Cb 0.09 -2.10 1.31 0.00 -1.15 0.00 0.00 33.47 31.62 2dxc s TRP 102 CO 0.42 -0.81 1.83 -1.35 0.02 0.00 0.00 176.95 177.06 2dxc h PRO 103 N 7.99 0.19 -0.00 4.98 0.11 -1.87 -1.23 132.00 142.16 2dxc h PRO 103 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2dxc h PRO 103 Cb 1.06 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2dxc h PRO 103 CO 0.53 0.12 -0.12 -0.85 -0.21 0.00 0.00 178.00 177.47 2dxc n GLU 104 N -4.40 0.65 -1.65 1.05 0.00 -1.26 -4.93 120.64 110.10 2dxc n GLU 104 Ca 0.22 -0.23 -0.46 0.00 0.00 0.00 0.00 57.16 56.69 2dxc n GLU 104 Cb 0.96 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.87 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 -0.97 2.00 -2.46 -1.84 9.36 -0.46 -4.91 117.16 117.88 2dxc n TYR 105 Ca 0.14 0.45 -0.40 0.00 3.32 0.00 0.00 57.90 61.41 2dxc n TYR 105 Cb 0.28 -2.44 -0.04 0.00 -0.63 0.00 0.00 39.34 36.51 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 0.41 7.22 0.34 2.98 0.15 -1.26 -4.92 113.70 118.62 2dxc s SER 106 Ca 0.73 2.29 0.26 0.00 0.70 0.00 0.00 55.95 59.93 2dxc s SER 106 Cb -0.71 -2.63 1.15 0.00 -1.71 0.00 0.00 66.02 62.12 2dxc s SER 106 CO 0.47 -0.18 1.79 0.44 1.20 0.00 0.00 173.24 176.95 2dxc h ASP 107 N 3.73 0.00 0.13 5.45 3.32 -2.00 -2.26 116.42 124.79 2dxc h ASP 107 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 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 0.67 0.00 -0.16 0.74 -1.72 0.00 0.00 179.24 178.76 2dxc h THR 108 N 0.00 1.15 -1.84 0.35 2.02 -2.01 -2.76 112.91 109.82 2dxc h THR 108 Ca 0.00 -0.69 -0.66 0.00 0.77 0.00 0.00 66.41 65.83 2dxc h THR 108 Cb 0.33 1.29 -0.37 0.00 -1.74 0.00 0.00 68.15 67.66 2dxc h THR 108 CO 0.00 0.20 -0.08 0.49 0.37 0.00 0.00 175.52 176.51 2dxc n PHE 109 N -4.30 3.35 0.25 3.16 3.72 -0.85 -4.85 117.46 117.94 2dxc n PHE 109 Ca -0.02 -3.00 0.10 0.00 -0.05 0.00 0.00 57.45 54.48 2dxc n PHE 109 Cb 0.25 -0.54 0.50 0.00 -0.94 0.00 0.00 39.48 38.75 2dxc n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxc n ALA 110 N -0.42 1.29 1.06 4.37 0.00 -1.04 -2.65 120.51 123.12 2dxc n ALA 110 Ca 0.42 0.13 0.11 0.00 0.00 0.00 0.00 53.44 54.11 2dxc n ALA 110 Cb 0.47 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.70 2dxc n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dxc n ASN 111 N -2.16 1.33 -4.77 0.00 3.02 -1.26 -4.94 115.26 106.48 2dxc n ASN 111 Ca 0.00 -1.07 -0.40 0.00 -0.03 0.00 0.00 54.58 53.09 2dxc n ASN 111 Cb 0.11 0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.77 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 -2.68 6.11 0.29 6.41 1.01 -1.09 -4.95 116.67 121.77 2dxc s ASP 112 Ca 0.16 2.86 0.04 0.00 0.71 0.00 0.00 52.55 56.33 2dxc s ASP 112 Cb 0.18 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2dxc s ASP 112 CO 0.65 -1.01 0.20 0.42 0.21 0.00 0.00 175.17 175.64 2dxc s THR 113 N -1.20 0.09 -0.03 -1.27 -4.23 -1.26 -1.68 115.64 106.06 2dxc s THR 113 Ca 0.58 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2dxc s THR 113 Cb -0.43 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.94 2dxc s THR 113 CO 0.55 0.00 0.02 -0.22 -0.54 0.00 0.00 174.62 174.44 2dxc s LEU 114 N -3.31 0.95 -0.09 4.79 0.20 -0.31 -4.80 118.68 116.11 2dxc s LEU 114 Ca 0.39 0.01 0.03 0.00 0.69 0.00 0.00 54.13 55.25 2dxc s LEU 114 Cb 0.04 -0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.63 2dxc s LEU 114 CO 0.20 -0.14 -0.18 -0.70 -0.29 0.00 0.00 176.35 175.24 2dxc s GLU 115 N 1.25 2.94 0.21 1.98 2.12 -1.26 -0.40 118.70 125.55 2dxc s GLU 115 Ca -0.07 -0.78 -0.16 0.00 0.36 0.00 0.00 54.97 54.33 2dxc s GLU 115 Cb -0.13 -2.41 0.02 0.00 0.26 0.00 0.00 34.13 31.87 2dxc s GLU 115 CO -0.03 0.33 0.51 -0.08 -0.54 0.00 0.00 175.26 175.46 2dxc s THR 116 N 0.00 0.02 -0.07 -1.70 -1.32 -0.67 -4.97 115.64 106.93 2dxc s THR 116 Ca -0.06 -1.01 -0.03 0.00 -1.21 0.00 0.00 61.69 59.38 2dxc s THR 116 Cb -0.15 -1.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 2dxc s THR 116 CO 0.05 -0.09 0.07 -1.61 -2.21 0.00 0.00 174.62 170.82 2dxc s GLU 117 N -3.92 3.16 -0.03 7.08 2.02 -1.26 -0.68 118.70 125.06 2dxc s GLU 117 Ca 0.13 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 2dxc s GLU 117 Cb -0.01 -2.94 0.02 0.00 0.10 0.00 0.00 34.13 31.30 2dxc s GLU 117 CO 0.01 0.71 0.07 0.42 0.02 0.00 0.00 175.26 176.50 2dxc s ILE 118 N -1.02 -0.03 0.48 -1.63 1.01 -0.05 -4.93 121.20 115.03 2dxc s ILE 118 Ca 0.17 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.74 2dxc s ILE 118 Cb -0.12 -0.13 -0.08 0.00 0.01 0.00 0.00 42.46 42.15 2dxc s ILE 118 CO 0.06 0.05 1.06 -2.16 0.00 0.00 0.00 174.94 173.95 2dxc s PRO 119 N 0.72 3.78 0.41 2.79 0.04 -1.26 -1.32 135.00 140.14 2dxc s PRO 119 Ca -0.06 1.43 0.25 0.00 0.04 0.00 0.00 61.00 62.66 2dxc s PRO 119 Cb -0.08 -2.14 1.32 0.00 0.04 0.00 0.00 34.50 33.64 2dxc s PRO 119 CO -0.03 -0.46 1.64 1.49 0.04 0.00 0.00 177.00 179.68 2dxc h GLU 120 N 1.64 0.14 -0.23 4.56 4.81 -1.35 -1.70 114.58 122.44 2dxc h GLU 120 Ca -0.49 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 2dxc h GLU 120 Cb 1.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2dxc h GLU 120 CO 0.59 0.09 0.25 0.07 -0.73 0.00 0.00 179.01 179.28 2dxc h ARG 121 N 0.15 0.00 -0.00 1.92 0.11 -1.92 -1.23 114.38 113.40 2dxc h ARG 121 Ca 0.79 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.87 2dxc h ARG 121 Cb 2.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.35 2dxc h ARG 121 CO -0.49 0.00 -0.37 0.66 0.10 0.00 0.00 179.97 179.87 2dxc n TYR 122 N -3.83 0.00 -3.83 4.08 4.01 -0.64 -4.91 117.16 112.04 2dxc n TYR 122 Ca 0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.45 2dxc n TYR 122 Cb 0.38 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 2dxc n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dxc s LEU 123 N -2.74 4.34 -0.15 7.72 1.43 -0.47 0.47 118.68 129.28 2dxc s LEU 123 Ca 0.18 0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 2dxc s LEU 123 Cb 0.18 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.53 2dxc s LEU 123 CO 0.60 0.18 0.39 -1.83 0.23 0.00 0.00 176.35 175.93 2dxc s GLU 124 N -2.28 0.46 0.22 1.70 -1.05 -1.06 -4.92 118.70 111.77 2dxc s GLU 124 Ca 0.33 0.56 -0.32 0.00 -0.15 0.00 0.00 54.97 55.40 2dxc s GLU 124 Cb -0.13 0.21 -0.14 0.00 -0.44 0.00 0.00 34.13 33.63 2dxc s GLU 124 CO 0.23 -0.06 1.33 1.63 0.95 0.00 0.00 175.26 179.34 2dxc n LYS 125 N 2.94 1.76 0.00 -4.83 4.76 -1.26 -0.91 118.16 120.62 2dxc n LYS 125 Ca -0.14 0.63 0.15 0.00 -2.87 0.00 0.00 58.31 56.08 2dxc n LYS 125 Cb 0.57 -2.23 0.65 0.00 -1.84 0.00 0.00 35.03 32.18 2dxc n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03