#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc n THR 11 N 0.00 1.37 0.02 8.89 -1.04 -1.26 -3.46 114.28 118.80 3cxc n THR 11 Ca 0.00 0.61 0.21 0.00 -2.04 0.00 0.00 64.05 62.83 3cxc n THR 11 Cb 0.00 -1.61 0.73 0.00 -1.82 0.00 0.00 70.33 67.63 3cxc n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3cxc h GLY 12 N 0.00 0.00 2.00 3.41 0.00 -1.96 -0.48 103.07 106.04 3cxc h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cxc h GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 3cxc n ARG 13 N -4.08 0.15 0.00 4.80 1.85 -1.22 -2.10 116.66 116.04 3cxc n ARG 13 Ca 0.10 0.57 0.15 0.00 -1.00 0.00 0.00 57.85 57.66 3cxc n ARG 13 Cb 0.65 -1.91 0.64 0.00 -1.05 0.00 0.00 32.46 30.80 3cxc n ARG 13 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3cxc n PHE 14 N -2.20 0.00 -2.62 2.89 0.99 -0.19 -5.04 117.46 111.30 3cxc n PHE 14 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3cxc n PHE 14 Cb 0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.56 3cxc n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3cxc n GLY 15 N 1.13 2.94 1.73 1.37 0.00 -0.89 -1.73 105.19 109.74 3cxc n GLY 15 Ca 0.20 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3cxc n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cxc n PRO 16 N 14.00 4.43 -2.40 1.61 -0.04 -1.26 -4.95 135.00 146.38 3cxc n PRO 16 Ca 0.00 -3.06 -0.27 0.00 -0.04 0.00 0.00 63.50 60.13 3cxc n PRO 16 Cb 0.00 -2.13 0.03 0.00 -0.04 0.00 0.00 33.50 31.36 3cxc n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3cxc s ARG 17 N -2.50 2.99 0.00 0.54 0.52 -0.70 -4.46 118.95 115.35 3cxc s ARG 17 Ca 0.53 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 3cxc s ARG 17 Cb 0.39 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.58 3cxc s ARG 17 CO 0.18 -0.65 0.00 0.66 0.02 0.00 0.00 175.30 175.51 3cxc n TYR 18 N -2.56 0.00 0.00 -0.53 4.02 -1.26 -4.89 117.16 111.94 3cxc n TYR 18 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3cxc n TYR 18 Cb 0.57 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3cxc n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cxc n GLY 19 N -1.56 -1.76 0.00 2.72 0.00 -1.26 -4.48 105.19 98.85 3cxc n GLY 19 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3cxc n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cxc n LEU 20 N -2.33 0.00 -0.32 0.99 4.77 -1.26 -2.76 117.00 116.09 3cxc n LEU 20 Ca 0.00 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.21 3cxc n LEU 20 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3cxc n LEU 20 CO 0.00 0.00 0.45 0.29 -1.33 0.00 0.00 177.39 176.80 3cxc n LYS 21 N -0.40 -0.24 -0.01 3.23 5.02 -1.26 -1.08 118.16 123.42 3cxc n LYS 21 Ca 0.00 1.25 -0.06 0.00 -2.02 0.00 0.00 58.31 57.48 3cxc n LYS 21 Cb 0.00 -1.85 -0.04 0.00 -0.02 0.00 0.00 35.03 33.12 3cxc n LYS 21 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3cxc h ILE 22 N 0.00 0.00 -0.03 -0.18 2.04 -1.78 -1.73 117.51 115.82 3cxc h ILE 22 Ca 0.24 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.01 3cxc h ILE 22 Cb 0.45 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3cxc h ILE 22 CO -0.80 0.00 -0.40 0.08 0.00 0.00 0.00 178.15 177.03 3cxc h ARG 23 N -0.21 0.07 -0.67 2.37 0.11 -1.22 -2.47 114.38 112.37 3cxc h ARG 23 Ca 0.02 -0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.09 3cxc h ARG 23 Cb 0.26 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.29 3cxc h ARG 23 CO -0.18 0.46 0.42 0.28 0.10 0.00 0.00 179.97 181.05 3cxc h VAL 24 N 0.06 1.10 0.00 0.08 2.07 -0.85 -0.03 116.25 118.68 3cxc h VAL 24 Ca 0.00 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3cxc h VAL 24 Cb 0.74 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3cxc h VAL 24 CO 0.06 0.15 -0.28 0.03 0.02 0.00 0.00 177.57 177.55 3cxc h ARG 25 N 0.82 0.00 0.42 1.57 3.08 -1.13 -2.09 114.38 117.06 3cxc h ARG 25 Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3cxc h ARG 25 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3cxc h ARG 25 CO -0.10 0.28 -0.20 0.28 -1.07 0.00 0.00 179.97 179.16 3cxc h VAL 26 N 0.00 0.47 0.24 2.04 2.07 -0.61 -1.73 116.25 118.73 3cxc h VAL 26 Ca -0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3cxc h VAL 26 Cb 0.80 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3cxc h VAL 26 CO 0.04 0.08 -0.45 0.00 0.02 0.00 0.00 177.57 177.26 3cxc h ALA 27 N -0.54 -1.00 -2.42 1.67 0.00 -1.05 0.54 119.26 116.45 3cxc h ALA 27 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cxc h ALA 27 Cb 0.56 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3cxc h ALA 27 CO 0.09 -1.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.02 3cxc n ASP 28 N -5.03 0.00 -0.30 0.00 9.92 -0.79 0.11 116.55 120.45 3cxc n ASP 28 Ca -0.08 0.44 0.11 0.00 -0.53 0.00 0.00 54.79 54.73 3cxc n ASP 28 Cb 0.37 -0.02 0.22 0.00 -0.64 0.00 0.00 41.12 41.05 3cxc n ASP 28 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3cxc n VAL 29 N -1.01 -0.36 0.07 2.53 0.31 -0.65 0.34 118.33 119.56 3cxc n VAL 29 Ca 0.00 1.91 -0.06 0.00 -0.01 0.00 0.00 64.34 66.17 3cxc n VAL 29 Cb 0.00 -2.75 0.10 0.00 -0.91 0.00 0.00 33.84 30.28 3cxc n VAL 29 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3cxc h GLU 30 N 0.00 0.29 0.34 5.55 5.08 0.14 0.97 114.58 126.96 3cxc h GLU 30 Ca 0.49 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3cxc h GLU 30 Cb 0.96 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3cxc h GLU 30 CO -0.83 0.82 -0.16 0.97 -1.00 0.00 0.00 179.01 178.81 3cxc h ILE 31 N 0.21 0.68 -0.55 3.13 2.10 0.55 1.21 117.51 124.84 3cxc h ILE 31 Ca -0.01 -0.20 0.09 0.00 1.08 0.00 0.00 64.86 65.82 3cxc h ILE 31 Cb 1.14 0.79 -0.07 0.00 -1.09 0.00 0.00 36.82 37.58 3cxc h ILE 31 CO 0.10 0.04 0.16 0.11 -1.08 0.00 0.00 178.15 177.48 3cxc h LYS 32 N -0.57 0.30 -0.45 2.19 1.57 -1.37 -0.82 116.57 117.43 3cxc h LYS 32 Ca -0.05 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3cxc h LYS 32 Cb 0.42 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 3cxc h LYS 32 CO 0.08 0.20 -0.20 1.25 -0.57 0.00 0.00 179.45 180.21 3cxc h HIS 33 N 0.31 -0.49 -0.38 -1.35 2.76 0.00 -2.24 115.15 113.77 3cxc h HIS 33 Ca 0.28 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3cxc h HIS 33 Cb 0.36 0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.61 3cxc h HIS 33 CO -0.20 -0.28 0.00 1.63 -1.30 0.00 0.00 177.93 177.78 3cxc n LYS 34 N -5.39 2.55 -1.28 5.26 5.02 0.41 -4.77 118.16 119.96 3cxc n LYS 34 Ca 0.03 -1.64 -0.29 0.00 -2.02 0.00 0.00 58.31 54.39 3cxc n LYS 34 Cb 0.30 -1.61 0.20 0.00 -0.02 0.00 0.00 35.03 33.89 3cxc n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cxc s LYS 35 N -1.70 -0.11 0.03 1.97 1.02 -0.46 -4.99 119.74 115.51 3cxc s LYS 35 Ca 0.29 0.13 -0.27 0.00 0.02 0.00 0.00 55.97 56.15 3cxc s LYS 35 Cb 0.19 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 3cxc s LYS 35 CO 0.14 -3.01 0.83 0.15 -0.92 0.00 0.00 175.35 172.55 3cxc s LYS 36 N -5.30 4.54 -0.04 1.68 1.02 -1.26 -4.93 119.74 115.44 3cxc s LYS 36 Ca 0.68 1.18 0.06 0.00 0.02 0.00 0.00 55.97 57.91 3cxc s LYS 36 Cb -0.13 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 3cxc s LYS 36 CO 0.56 0.17 -0.22 -1.01 -0.92 0.00 0.00 175.35 173.93 3cxc s HIS 37 N 0.28 2.48 -0.52 3.18 3.76 -1.24 -4.98 115.29 118.26 3cxc s HIS 37 Ca 0.42 -0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 54.58 3cxc s HIS 37 Cb -0.21 -1.58 0.03 0.00 1.11 0.00 0.00 32.58 31.93 3cxc s HIS 37 CO 0.24 -0.05 1.13 0.15 -0.85 0.00 0.00 174.74 175.36 3cxc s LYS 38 N -0.45 3.61 0.19 1.40 1.02 -1.26 -1.60 119.74 122.66 3cxc s LYS 38 Ca 0.05 0.37 -0.32 0.00 0.02 0.00 0.00 55.97 56.09 3cxc s LYS 38 Cb -0.12 -3.96 -0.15 0.00 -0.52 0.00 0.00 37.83 33.09 3cxc s LYS 38 CO 0.01 -1.48 1.17 0.00 -0.92 0.00 0.00 175.35 174.13 3cxc h PRO 40 N 3.29 0.68 0.06 0.00 0.11 -1.95 -3.36 132.00 130.83 3cxc h PRO 40 Ca -0.43 -0.40 -0.00 0.00 0.11 0.00 0.00 66.00 65.27 3cxc h PRO 40 Cb 1.34 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3cxc h PRO 40 CO 0.69 1.02 -0.03 0.28 -0.21 0.00 0.00 178.00 179.76 3cxc h VAL 41 N 0.54 0.00 -1.15 3.15 2.07 -1.99 -3.46 116.25 115.41 3cxc h VAL 41 Ca 0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3cxc h VAL 41 Cb 1.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3cxc h VAL 41 CO 0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3cxc n GLY 43 N 5.00 0.04 3.77 0.00 0.00 -1.26 -4.61 105.19 108.14 3cxc n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3cxc n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cxc s PHE 44 N -0.40 3.54 -1.36 1.61 0.40 -1.26 -4.57 117.98 115.93 3cxc s PHE 44 Ca 0.00 1.73 -0.14 0.00 -0.60 0.00 0.00 56.93 57.92 3cxc s PHE 44 Cb 0.00 -3.10 0.09 0.00 0.51 0.00 0.00 43.02 40.51 3cxc s PHE 44 CO 0.00 -0.27 1.98 1.63 0.70 0.00 0.00 175.22 179.26 3cxc n LYS 45 N 0.60 3.14 -2.72 0.44 5.02 -1.26 -0.90 118.16 122.48 3cxc n LYS 45 Ca 0.02 -3.06 -0.02 0.00 -2.02 0.00 0.00 58.31 53.23 3cxc n LYS 45 Cb 0.48 -3.24 0.05 0.00 -0.02 0.00 0.00 35.03 32.30 3cxc n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cxc n LYS 46 N 6.09 1.87 -4.01 1.97 5.02 -0.74 -4.54 118.16 123.82 3cxc n LYS 46 Ca 0.47 -3.54 -0.36 0.00 -2.02 0.00 0.00 58.31 52.86 3cxc n LYS 46 Cb 0.40 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 3cxc n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cxc s LEU 47 N -3.70 4.13 -0.01 -0.35 1.43 -0.62 0.68 118.68 120.24 3cxc s LEU 47 Ca 0.30 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 3cxc s LEU 47 Cb 0.33 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 3cxc s LEU 47 CO -0.04 0.37 0.05 -0.54 0.23 0.00 0.00 176.35 176.43 3cxc s LYS 48 N -0.82 0.23 0.18 1.70 1.02 -0.42 -3.62 119.74 118.02 3cxc s LYS 48 Ca 0.13 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.60 3cxc s LYS 48 Cb -0.12 0.09 -0.10 0.00 -0.52 0.00 0.00 37.83 37.19 3cxc s LYS 48 CO 0.03 -0.04 1.49 0.50 -0.92 0.00 0.00 175.35 176.41 3cxc s ARG 49 N -0.70 4.25 -0.13 1.68 3.52 -1.26 -1.79 118.95 124.52 3cxc s ARG 49 Ca -0.08 2.29 -0.02 0.00 -0.13 0.00 0.00 55.73 57.79 3cxc s ARG 49 Cb -0.05 -3.16 -0.24 0.00 -1.56 0.00 0.00 34.95 29.94 3cxc s ARG 49 CO 0.00 -0.51 0.31 0.00 -0.81 0.00 0.00 175.30 174.30 3cxc n ALA 50 N 3.40 1.07 -3.00 6.12 0.00 0.81 -4.92 120.51 123.99 3cxc n ALA 50 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3cxc n ALA 50 Cb 0.40 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3cxc n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxc n GLY 51 N 1.97 1.97 3.56 0.00 0.00 -1.06 -4.97 105.19 106.65 3cxc n GLY 51 Ca -0.32 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 3cxc n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s THR 52 N -2.24 3.08 -0.62 2.61 2.01 -1.26 -2.17 115.64 117.05 3cxc s THR 52 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3cxc s THR 52 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3cxc s THR 52 CO 0.00 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 3cxc n GLY 53 N 5.90 0.83 3.15 4.40 0.00 -1.23 -4.99 105.19 113.25 3cxc n GLY 53 Ca 0.33 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 3cxc n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxc s ILE 54 N -2.20 1.90 0.12 -0.61 1.01 -0.92 -2.54 121.20 117.97 3cxc s ILE 54 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.83 3cxc s ILE 54 Cb 0.00 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3cxc s ILE 54 CO 0.00 0.52 -0.19 0.26 0.00 0.00 0.00 174.94 175.53 3cxc s TRP 55 N 0.73 1.75 -0.02 3.97 0.52 -0.75 0.28 118.94 125.43 3cxc s TRP 55 Ca -0.10 -0.44 -0.10 0.00 0.02 0.00 0.00 56.10 55.47 3cxc s TRP 55 Cb -0.16 -0.93 0.01 0.00 -1.15 0.00 0.00 33.47 31.24 3cxc s TRP 55 CO 0.01 0.24 0.21 1.41 0.02 0.00 0.00 176.95 178.84 3cxc s MET 56 N -2.25 0.52 -0.47 4.98 1.75 -0.74 0.38 119.30 123.46 3cxc s MET 56 Ca 0.09 -0.23 -0.21 0.00 -1.25 0.00 0.00 55.69 54.09 3cxc s MET 56 Cb -0.08 0.22 0.03 0.00 2.84 0.00 0.00 34.83 37.85 3cxc s MET 56 CO 0.05 -0.13 0.71 0.00 -0.65 0.00 0.00 175.02 175.00 3cxc n GLY 58 N 5.07 -0.20 0.04 0.00 0.00 0.22 -0.19 105.19 110.13 3cxc n GLY 58 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 3cxc n GLY 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3cxc n HIS 59 N -1.15 0.11 0.77 1.61 -0.00 -1.26 -4.69 115.22 110.61 3cxc n HIS 59 Ca 0.01 0.05 0.12 0.00 -0.00 0.00 0.00 57.72 57.89 3cxc n HIS 59 Cb 0.01 -0.30 0.19 0.00 -0.00 0.00 0.00 29.99 29.88 3cxc n HIS 59 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cxc n GLY 61 N 1.42 0.67 3.76 0.00 0.00 0.73 -5.00 105.19 106.77 3cxc n GLY 61 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3cxc n GLY 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cxc s TYR 62 N -2.26 2.91 -0.26 1.61 5.04 -1.26 -4.68 117.35 118.45 3cxc s TYR 62 Ca 0.00 1.13 -0.01 0.00 -2.44 0.00 0.00 57.07 55.74 3cxc s TYR 62 Cb 0.00 -3.85 0.03 0.00 0.35 0.00 0.00 41.96 38.49 3cxc s TYR 62 CO 0.00 -2.63 -0.05 0.21 -1.34 0.00 0.00 175.55 171.74 3cxc s LYS 63 N -1.10 2.69 0.26 4.97 2.20 -1.26 -1.08 119.74 126.42 3cxc s LYS 63 Ca 0.56 -1.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 3cxc s LYS 63 Cb -0.43 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3cxc s LYS 63 CO 0.50 -0.46 0.10 0.96 -0.36 0.00 0.00 175.35 176.09 3cxc s ILE 64 N 1.29 3.92 -0.44 5.43 -4.36 0.16 -4.97 121.20 122.24 3cxc s ILE 64 Ca -0.02 -1.65 -0.13 0.00 -0.26 0.00 0.00 60.65 58.59 3cxc s ILE 64 Cb -0.18 -3.13 0.06 0.00 1.25 0.00 0.00 42.46 40.47 3cxc s ILE 64 CO -0.04 -0.35 0.32 0.00 0.24 0.00 0.00 174.94 175.11 3cxc s ALA 65 N -2.24 3.43 0.00 2.27 0.00 -1.26 -1.82 121.76 122.14 3cxc s ALA 65 Ca 0.32 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3cxc s ALA 65 Cb -0.07 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3cxc s ALA 65 CO 0.23 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 174.76 3cxc n GLY 66 N 5.08 5.42 0.00 0.00 0.00 -1.05 -5.02 105.19 109.62 3cxc n GLY 66 Ca -0.11 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3cxc n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 67 N 5.00 -1.80 0.13 -0.02 0.00 0.18 -4.82 105.19 103.87 3cxc n GLY 67 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 3cxc n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc n TYR 69 N -3.64 0.00 -3.77 0.00 4.02 -1.26 -3.51 117.16 108.99 3cxc n TYR 69 Ca -0.31 -0.45 -0.13 0.00 -0.01 0.00 0.00 57.90 56.99 3cxc n TYR 69 Cb 0.99 -0.05 -0.09 0.00 -0.02 0.00 0.00 39.34 40.17 3cxc n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3cxc s GLN 70 N -0.93 0.58 0.26 -0.72 -0.21 -1.26 -3.61 119.66 113.78 3cxc s GLN 70 Ca 0.01 -0.08 0.11 0.00 0.02 0.00 0.00 55.36 55.42 3cxc s GLN 70 Cb 0.01 0.26 0.31 0.00 1.00 0.00 0.00 33.01 34.59 3cxc s GLN 70 CO 0.00 -0.15 1.58 -1.00 -2.12 0.00 0.00 175.29 173.60 3cxc h PRO 71 N 4.30 0.00 -5.14 2.91 0.13 -1.93 0.51 132.00 132.78 3cxc h PRO 71 Ca -0.29 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.24 3cxc h PRO 71 Cb 1.18 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.98 3cxc h PRO 71 CO 0.38 0.64 -0.85 -1.21 -0.23 0.00 0.00 178.00 176.73 3cxc s GLU 72 N -3.47 2.29 0.04 0.86 2.02 -1.26 -2.75 118.70 116.43 3cxc s GLU 72 Ca -0.01 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.33 3cxc s GLU 72 Cb 0.12 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 3cxc s GLU 72 CO 0.76 0.16 0.06 0.95 0.02 0.00 0.00 175.26 177.21 3cxc s THR 73 N 0.33 4.48 0.32 3.63 -4.23 -1.26 -4.82 115.64 114.09 3cxc s THR 73 Ca -0.13 -0.63 0.06 0.00 -1.18 0.00 0.00 61.69 59.81 3cxc s THR 73 Cb -0.15 -3.09 0.38 0.00 1.34 0.00 0.00 72.50 70.98 3cxc s THR 73 CO 0.05 0.25 1.59 0.58 -0.54 0.00 0.00 174.62 176.55 3cxc h VAL 74 N 2.99 0.06 0.00 2.29 2.07 -2.00 1.12 116.25 122.78 3cxc h VAL 74 Ca -0.48 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 3cxc h VAL 74 Cb 1.17 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3cxc h VAL 74 CO 0.63 0.01 -0.51 0.00 0.02 0.00 0.00 177.57 177.71 3cxc h ALA 75 N 1.96 0.80 -0.44 1.67 0.00 -2.00 -3.09 119.26 118.16 3cxc h ALA 75 Ca 0.65 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3cxc h ALA 75 Cb 1.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3cxc h ALA 75 CO -0.85 0.64 0.00 0.78 0.00 0.00 0.00 179.25 179.82 3cxc h GLY 76 N 2.65 0.76 1.54 0.00 0.00 0.90 -2.74 103.07 106.18 3cxc h GLY 76 Ca -0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 3cxc h GLY 76 CO 0.07 0.45 -0.51 0.50 0.00 0.00 0.00 176.54 177.05 3cxc h LYS 77 N 0.67 0.49 0.00 4.80 1.57 -1.30 -2.78 116.57 120.02 3cxc h LYS 77 Ca 0.13 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3cxc h LYS 77 Cb 0.41 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3cxc h LYS 77 CO 0.02 0.89 -0.01 0.00 -0.57 0.00 0.00 179.45 179.77 3cxc h ALA 78 N 1.06 1.23 -0.10 3.86 0.00 -1.41 -2.31 119.26 121.59 3cxc h ALA 78 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3cxc h ALA 78 Cb 1.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cxc h ALA 78 CO 0.09 0.01 -0.10 0.28 0.00 0.00 0.00 179.25 179.53 3cxc h VAL 79 N 0.00 1.36 -0.45 0.00 2.07 -1.45 -3.17 116.25 114.62 3cxc h VAL 79 Ca -0.00 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.33 3cxc h VAL 79 Cb 0.04 1.98 -0.10 0.00 -1.52 0.00 0.00 31.29 31.70 3cxc h VAL 79 CO 0.00 0.36 -0.39 0.24 0.02 0.00 0.00 177.57 177.80 3cxc h MET 80 N -0.17 -0.27 0.00 1.57 2.07 -1.49 -3.26 114.93 113.38 3cxc h MET 80 Ca 0.01 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3cxc h MET 80 Cb 0.62 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.41 3cxc h MET 80 CO 0.02 -0.18 0.00 1.63 1.07 0.00 0.00 176.91 179.46 3cxc n LYS 81 N -5.42 0.00 0.00 1.72 5.02 -1.22 -5.17 118.16 113.09 3cxc n LYS 81 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3cxc n LYS 81 Cb 0.35 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 3cxc n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88