#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0w s ILE 21 N 0.00 4.24 -0.05 12.58 1.01 -1.26 -4.99 121.20 132.73 3d0w s ILE 21 Ca 0.00 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.77 3d0w s ILE 21 Cb 0.00 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 3d0w s ILE 21 CO 0.00 -0.28 1.56 -0.54 0.00 0.00 0.00 174.94 175.69 3d0w s LYS 22 N -3.13 4.20 0.50 2.79 1.02 -1.26 -4.88 119.74 118.98 3d0w s LYS 22 Ca 0.63 2.09 0.33 0.00 0.02 0.00 0.00 55.97 59.04 3d0w s LYS 22 Cb -0.11 -3.87 1.45 0.00 -0.52 0.00 0.00 37.83 34.78 3d0w s LYS 22 CO 0.15 -0.78 1.74 0.93 -0.92 0.00 0.00 175.35 176.47 3d0w h GLU 23 N 9.04 0.10 -0.64 1.68 5.08 -2.00 0.30 114.58 128.14 3d0w h GLU 23 Ca -0.37 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 3d0w h GLU 23 Cb 1.17 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3d0w h GLU 23 CO 0.95 0.07 0.08 0.38 -1.00 0.00 0.00 179.01 179.49 3d0w h ASP 24 N 0.11 1.04 -0.50 1.42 2.03 -1.99 -0.63 116.42 117.89 3d0w h ASP 24 Ca 0.65 -0.27 -0.06 0.00 -0.73 0.00 0.00 57.03 56.62 3d0w h ASP 24 Cb 2.32 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 40.52 3d0w h ASP 24 CO -0.13 1.05 0.09 0.40 -1.03 0.00 0.00 179.24 179.61 3d0w h ILE 25 N 0.99 1.25 -0.30 4.15 2.04 -0.80 -1.96 117.51 122.88 3d0w h ILE 25 Ca 0.19 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3d0w h ILE 25 Cb 0.47 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3d0w h ILE 25 CO 0.02 0.33 0.03 0.25 0.00 0.00 0.00 178.15 178.77 3d0w h LEU 26 N 0.70 0.49 -1.46 1.44 5.85 -1.28 -1.74 115.31 119.32 3d0w h LEU 26 Ca 0.15 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3d0w h LEU 26 Cb 0.39 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3d0w h LEU 26 CO 0.01 0.65 0.29 0.50 -0.34 0.00 0.00 178.44 179.55 3d0w h LYS 27 N 0.31 0.65 -0.01 1.25 3.64 -1.05 -0.32 116.57 121.03 3d0w h LYS 27 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3d0w h LYS 27 Cb 0.38 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3d0w h LYS 27 CO 0.01 0.46 0.00 0.22 -2.27 0.00 0.00 179.45 177.87 3d0w h ASP 28 N 0.66 0.02 -0.75 4.20 1.82 -1.07 -2.44 116.42 118.86 3d0w h ASP 28 Ca 0.17 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 3d0w h ASP 28 Cb -0.02 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 39.95 3d0w h ASP 28 CO -0.03 0.30 0.43 0.15 -1.61 0.00 0.00 179.24 178.48 3d0w h PHE 29 N -0.26 1.01 -0.82 0.28 3.57 -0.82 -1.82 116.94 118.09 3d0w h PHE 29 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3d0w h PHE 29 Cb 0.29 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3d0w h PHE 29 CO 0.02 0.70 0.50 0.93 -2.23 0.00 0.00 178.31 178.23 3d0w h GLU 30 N 1.04 1.12 -0.32 1.11 4.39 -1.02 0.87 114.58 121.77 3d0w h GLU 30 Ca 0.27 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 3d0w h GLU 30 Cb 0.00 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 3d0w h GLU 30 CO -0.05 0.79 -0.14 0.93 -1.16 0.00 0.00 179.01 179.38 3d0w h GLU 31 N 1.13 0.65 -0.41 2.33 5.08 -1.20 0.25 114.58 122.42 3d0w h GLU 31 Ca 0.30 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3d0w h GLU 31 Cb -0.04 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3d0w h GLU 31 CO -0.06 0.86 0.18 0.35 -1.00 0.00 0.00 179.01 179.35 3d0w h PHE 32 N 0.42 0.34 -0.39 4.33 3.57 -0.99 0.19 116.94 124.41 3d0w h PHE 32 Ca 0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3d0w h PHE 32 Cb 0.66 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3d0w h PHE 32 CO 0.06 0.16 0.14 -0.22 -2.23 0.00 0.00 178.31 176.22 3d0w h LYS 33 N 0.38 0.60 -0.54 1.11 3.64 -0.72 -2.07 116.57 118.97 3d0w h LYS 33 Ca 0.18 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3d0w h LYS 33 Cb 0.12 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3d0w h LYS 33 CO -0.15 0.58 0.26 0.78 -2.27 0.00 0.00 179.45 178.66 3d0w h GLY 34 N 0.48 0.81 0.94 5.01 0.00 -0.33 -1.15 103.07 108.84 3d0w h GLY 34 Ca 0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3d0w h GLY 34 CO -0.01 0.35 0.14 -1.82 0.00 0.00 0.00 176.54 175.21 3d0w h TYR 35 N 0.76 0.66 -0.48 5.60 3.20 -0.27 -1.37 116.97 125.07 3d0w h TYR 35 Ca 0.19 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3d0w h TYR 35 Cb 0.08 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3d0w h TYR 35 CO 0.01 0.60 0.01 -0.07 -1.64 0.00 0.00 178.16 177.06 3d0w h LEU 36 N 0.53 0.82 -1.47 2.82 3.38 -0.86 -2.28 115.31 118.26 3d0w h LEU 36 Ca 0.14 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3d0w h LEU 36 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3d0w h LEU 36 CO -0.01 0.92 -0.27 0.07 0.09 0.00 0.00 178.44 179.25 3d0w h LYS 37 N 0.70 0.00 -0.57 1.13 2.10 -1.10 -1.71 116.57 117.12 3d0w h LYS 37 Ca 0.14 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.68 3d0w h LYS 37 Cb 0.50 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.81 3d0w h LYS 37 CO 0.02 0.27 -0.07 0.87 -2.00 0.00 0.00 179.45 178.54 3d0w h LYS 38 N 0.00 1.05 -0.51 0.07 1.79 -0.95 -2.08 116.57 115.94 3d0w h LYS 38 Ca -0.00 -0.37 -0.11 0.00 -2.18 0.00 0.00 60.65 57.98 3d0w h LYS 38 Cb 0.48 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 3d0w h LYS 38 CO 0.03 1.07 -0.12 1.96 -1.08 0.00 0.00 179.45 181.31 3d0w h GLN 39 N 0.94 0.97 -0.15 3.15 4.20 -0.79 -2.08 115.11 121.36 3d0w h GLN 39 Ca 0.15 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 3d0w h GLN 39 Cb 0.64 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3d0w h GLN 39 CO 0.04 1.03 0.01 0.28 -0.67 0.00 0.00 178.83 179.52 3d0w h VAL 40 N 0.86 1.24 -0.59 -0.54 2.07 -1.21 -0.60 116.25 117.48 3d0w h VAL 40 Ca 0.13 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3d0w h VAL 40 Cb 0.67 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3d0w h VAL 40 CO 0.05 0.23 0.34 -1.13 0.02 0.00 0.00 177.57 177.08 3d0w h ASN 41 N 0.01 0.52 -0.18 0.57 -0.73 -1.35 0.16 115.58 114.58 3d0w h ASN 41 Ca 0.04 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 3d0w h ASN 41 Cb 0.34 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 3d0w h ASN 41 CO 0.01 0.35 0.04 -0.09 -0.37 0.00 0.00 177.43 177.37 3d0w h ARG 42 N 0.65 0.28 -0.87 6.67 2.43 -1.30 -1.24 114.38 121.00 3d0w h ARG 42 Ca 0.25 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3d0w h ARG 42 Cb 0.09 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3d0w h ARG 42 CO -0.14 0.42 0.58 0.78 -1.51 0.00 0.00 179.97 180.10 3d0w h GLY 43 N 0.10 1.22 1.18 2.80 0.00 -0.76 -1.28 103.07 106.32 3d0w h GLY 43 Ca 0.06 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3d0w h GLY 43 CO 0.00 0.44 -0.22 0.50 0.00 0.00 0.00 176.54 177.27 3d0w h LYS 44 N 1.17 0.93 -0.18 4.80 1.57 -0.85 -2.19 116.57 121.82 3d0w h LYS 44 Ca 0.32 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3d0w h LYS 44 Cb -0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3d0w h LYS 44 CO -0.07 1.05 0.07 -0.22 -0.57 0.00 0.00 179.45 179.72 3d0w h LYS 45 N 0.81 0.28 -0.78 3.15 3.64 -0.84 -0.03 116.57 122.79 3d0w h LYS 45 Ca 0.11 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3d0w h LYS 45 Cb 0.78 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 3d0w h LYS 45 CO 0.06 0.35 0.47 -0.07 -2.27 0.00 0.00 179.45 177.99 3d0w h LEU 46 N 0.15 0.73 -0.68 5.20 4.07 -1.20 -0.75 115.31 122.83 3d0w h LEU 46 Ca 0.06 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 3d0w h LEU 46 Cb 0.17 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 3d0w h LEU 46 CO -0.01 0.48 0.35 1.23 -1.08 0.00 0.00 178.44 179.42 3d0w h GLY 47 N 0.87 1.03 0.62 0.83 0.00 -1.05 -2.80 103.07 102.57 3d0w h GLY 47 Ca 0.34 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.21 3d0w h GLY 47 CO -0.16 0.47 -0.10 -2.00 0.00 0.00 0.00 176.54 174.74 3d0w h LEU 48 N 0.94 -0.32 -0.69 3.11 5.85 0.27 0.14 115.31 124.60 3d0w h LEU 48 Ca 0.24 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3d0w h LEU 48 Cb 0.07 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3d0w h LEU 48 CO -0.03 -0.14 0.00 0.47 -0.34 0.00 0.00 178.44 178.39 3d0w n ASP 49 N -5.24 0.27 -0.43 1.25 8.00 -0.41 -0.91 116.55 119.07 3d0w n ASP 49 Ca -0.04 0.63 0.06 0.00 0.71 0.00 0.00 54.79 56.14 3d0w n ASP 49 Cb 0.16 -0.66 0.14 0.00 -0.02 0.00 0.00 41.12 40.74 3d0w n ASP 49 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3d0w n ASP 50 N -1.87 2.81 -0.79 -2.24 4.64 -0.20 -4.98 116.55 113.93 3d0w n ASP 50 Ca -0.01 -2.43 -0.08 0.00 -1.38 0.00 0.00 54.79 50.89 3d0w n ASP 50 Cb 0.02 -0.28 -0.02 0.00 -1.04 0.00 0.00 41.12 39.80 3d0w n ASP 50 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3d0w n GLY 51 N -0.33 0.53 3.32 0.27 0.00 -0.09 -5.03 105.19 103.85 3d0w n GLY 51 Ca 0.12 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 3d0w n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d0w s LYS 52 N -3.56 1.21 -0.37 1.61 1.02 0.30 -5.00 119.74 114.95 3d0w s LYS 52 Ca 0.00 -1.23 -0.12 0.00 0.02 0.00 0.00 55.97 54.64 3d0w s LYS 52 Cb 0.00 -1.53 0.02 0.00 -0.52 0.00 0.00 37.83 35.81 3d0w s LYS 52 CO 0.00 0.35 0.22 -0.51 -0.92 0.00 0.00 175.35 174.49 3d0w s LEU 53 N -2.01 4.74 -0.19 3.17 1.43 -1.26 -2.98 118.68 121.57 3d0w s LEU 53 Ca 0.09 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 3d0w s LEU 53 Cb -0.10 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 3d0w s LEU 53 CO 0.05 -0.38 0.19 -0.69 0.23 0.00 0.00 176.35 175.75 3d0w s VAL 54 N 1.58 5.37 0.36 -1.59 1.01 -1.26 -5.08 120.40 120.78 3d0w s VAL 54 Ca 0.03 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 3d0w s VAL 54 Cb -0.19 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3d0w s VAL 54 CO 0.07 0.41 1.03 -0.54 0.00 0.00 0.00 175.10 176.07 3d0w s LYS 55 N 0.50 4.36 0.24 2.72 -0.14 -1.26 -4.78 119.74 121.37 3d0w s LYS 55 Ca 0.11 1.53 -0.07 0.00 -1.36 0.00 0.00 55.97 56.18 3d0w s LYS 55 Cb -0.12 -2.74 0.23 0.00 -1.68 0.00 0.00 37.83 33.51 3d0w s LYS 55 CO 0.01 0.03 1.89 0.77 -0.76 0.00 0.00 175.35 177.29 3d0w h SER 56 N 2.94 1.12 -0.94 2.83 0.02 -1.98 -2.49 113.55 115.06 3d0w h SER 56 Ca -0.48 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.45 3d0w h SER 56 Cb 1.21 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 3d0w h SER 56 CO 0.64 0.86 0.61 0.00 -1.14 0.00 0.00 176.83 177.80 3d0w h ALA 57 N 1.31 1.26 -0.48 3.77 0.00 -1.93 -0.38 119.26 122.82 3d0w h ALA 57 Ca 0.34 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3d0w h ALA 57 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3d0w h ALA 57 CO -0.06 0.47 0.06 0.00 0.00 0.00 0.00 179.25 179.71 3d0w h ALA 58 N 1.39 0.63 -0.31 0.00 0.00 -1.84 0.16 119.26 119.31 3d0w h ALA 58 Ca 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3d0w h ALA 58 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3d0w h ALA 58 CO -0.13 0.38 0.14 0.82 0.00 0.00 0.00 179.25 180.46 3d0w h ILE 59 N 0.67 1.17 -0.19 0.00 2.04 -0.97 -0.02 117.51 120.20 3d0w h ILE 59 Ca 0.14 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3d0w h ILE 59 Cb 0.42 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3d0w h ILE 59 CO 0.01 0.17 -0.32 -0.07 0.00 0.00 0.00 178.15 177.95 3d0w h LEU 60 N 0.35 0.40 -0.46 1.44 3.38 -0.98 -1.56 115.31 117.88 3d0w h LEU 60 Ca 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3d0w h LEU 60 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3d0w h LEU 60 CO -0.01 0.70 0.13 1.23 0.09 0.00 0.00 178.44 180.57 3d0w h GLY 61 N 1.07 0.77 1.61 0.83 0.00 -0.32 -1.63 103.07 105.40 3d0w h GLY 61 Ca 0.04 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3d0w h GLY 61 CO 0.06 0.44 -0.10 -0.55 0.00 0.00 0.00 176.54 176.39 3d0w h ASP 62 N 0.60 0.46 -0.07 0.19 3.32 -0.71 -1.78 116.42 118.43 3d0w h ASP 62 Ca 0.14 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3d0w h ASP 62 Cb 0.30 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3d0w h ASP 62 CO -0.00 0.60 0.03 0.22 -1.72 0.00 0.00 179.24 178.36 3d0w h TYR 63 N 0.45 0.10 -0.04 4.55 3.20 -0.92 -2.58 116.97 121.72 3d0w h TYR 63 Ca 0.09 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3d0w h TYR 63 Cb 0.44 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3d0w h TYR 63 CO 0.01 0.21 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.44 3d0w h LEU 64 N -0.04 0.07 -1.53 2.82 3.38 -1.09 -1.90 115.31 117.01 3d0w h LEU 64 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d0w h LEU 64 Cb 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3d0w h LEU 64 CO -0.00 0.31 -0.02 0.00 0.09 0.00 0.00 178.44 178.81 3d0w h ALA 65 N 1.70 1.01 0.00 1.53 0.00 -1.06 -2.51 119.26 119.94 3d0w h ALA 65 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3d0w h ALA 65 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3d0w h ALA 65 CO 0.03 0.03 -0.06 0.87 0.00 0.00 0.00 179.25 180.12 3d0w h LYS 66 N 0.00 0.00 -6.20 0.00 1.57 -0.95 -3.47 116.57 107.52 3d0w h LYS 66 Ca -0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 3d0w h LYS 66 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.83 3d0w h LYS 66 CO 0.00 0.06 -0.83 0.72 -0.57 0.00 0.00 179.45 178.84 3d0w n HIS 67 N -3.18 -1.94 -1.79 -1.35 8.25 -0.95 -4.94 115.22 109.32 3d0w n HIS 67 Ca 0.01 0.84 -0.33 0.00 -0.26 0.00 0.00 57.72 57.97 3d0w n HIS 67 Cb 0.34 -4.20 0.05 0.00 1.12 0.00 0.00 29.99 27.30 3d0w n HIS 67 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3d0w s GLU 68 N -6.19 2.82 0.11 -0.41 2.02 -1.26 -4.92 118.70 110.86 3d0w s GLU 68 Ca 0.13 1.45 -0.31 0.00 0.02 0.00 0.00 54.97 56.26 3d0w s GLU 68 Cb -0.06 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 32.12 3d0w s GLU 68 CO 0.83 -1.25 1.83 -2.00 0.02 0.00 0.00 175.26 174.69 3d0w s GLU 69 N -3.98 4.14 0.27 1.61 2.12 -1.26 -4.91 118.70 116.69 3d0w s GLU 69 Ca 0.68 2.58 -0.31 0.00 0.36 0.00 0.00 54.97 58.29 3d0w s GLU 69 Cb -0.22 -3.65 -0.12 0.00 0.26 0.00 0.00 34.13 30.40 3d0w s GLU 69 CO 0.40 -0.85 1.60 -2.30 -0.54 0.00 0.00 175.26 173.57 3d0w n PRO 70 N 5.87 2.61 0.00 4.30 -0.02 -1.26 -4.89 135.00 141.61 3d0w n PRO 70 Ca 0.18 0.93 0.05 0.00 -2.02 0.00 0.00 63.50 62.64 3d0w n PRO 70 Cb 0.39 -2.71 0.02 0.00 -0.02 0.00 0.00 33.50 31.17 3d0w n PRO 70 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3d0w n GLN 71 N 2.51 1.49 -3.82 -0.52 1.13 -1.26 -5.04 117.38 111.86 3d0w n GLN 71 Ca 0.11 -0.81 -0.08 0.00 -1.94 0.00 0.00 57.00 54.28 3d0w n GLN 71 Cb 0.35 -1.13 0.01 0.00 0.11 0.00 0.00 30.24 29.58 3d0w n GLN 71 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3d0w s ASN 72 N -1.20 -0.06 0.34 1.08 2.20 -1.26 -5.04 114.94 111.00 3d0w s ASN 72 Ca 0.10 -0.97 0.05 0.00 -0.94 0.00 0.00 52.86 51.10 3d0w s ASN 72 Cb 0.09 0.78 0.63 0.00 -2.00 0.00 0.00 41.25 40.75 3d0w s ASN 72 CO 0.21 -1.53 1.90 1.23 -2.94 0.00 0.00 177.10 175.97 3d0w h GLY 73 N 2.00 0.57 0.88 0.45 0.00 -2.00 -3.02 103.07 101.97 3d0w h GLY 73 Ca -0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3d0w h GLY 73 CO 0.36 0.30 0.07 0.83 0.00 0.00 0.00 176.54 178.10 3d0w h GLU 74 N 0.52 0.29 -1.56 4.80 3.07 -1.98 0.04 114.58 119.75 3d0w h GLU 74 Ca 0.12 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3d0w h GLU 74 Cb 0.28 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3d0w h GLU 74 CO 0.00 0.37 0.00 0.39 -1.40 0.00 0.00 179.01 178.37 3d0w n GLU 75 N -4.83 0.37 0.00 2.33 1.02 -1.14 -1.31 120.64 117.08 3d0w n GLU 75 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3d0w n GLU 75 Cb 0.13 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3d0w n GLU 75 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3d0w n LEU 77 N 0.79 0.00 -0.18 -4.62 7.94 -0.00 -1.00 117.00 119.93 3d0w n LEU 77 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3d0w n LEU 77 Cb 0.18 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.19 3d0w n LEU 77 CO 0.00 0.00 1.03 -0.07 -1.11 0.00 0.00 177.39 177.24 3d0w h LEU 78 N 0.00 0.40 -1.00 -1.96 3.38 -1.45 0.10 115.31 114.78 3d0w h LEU 78 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3d0w h LEU 78 Cb 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3d0w h LEU 78 CO 0.00 0.27 0.29 1.56 0.09 0.00 0.00 178.44 180.65 3d0w h GLN 79 N 0.54 1.01 -0.38 1.13 1.08 -1.34 -0.22 115.11 116.93 3d0w h GLN 79 Ca 0.24 -0.16 -0.15 0.00 -1.45 0.00 0.00 58.65 57.13 3d0w h GLN 79 Cb 0.15 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3d0w h GLN 79 CO -0.16 0.81 -0.36 0.93 -0.95 0.00 0.00 178.83 179.10 3d0w h GLU 80 N 0.99 0.90 -0.56 1.46 4.39 -1.65 -1.67 114.58 118.44 3d0w h GLU 80 Ca 0.24 -0.45 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 3d0w h GLU 80 Cb 0.17 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3d0w h GLU 80 CO -0.02 1.10 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.86 3d0w h LEU 81 N 0.74 0.96 -0.82 1.33 3.38 -0.73 -2.89 115.31 117.30 3d0w h LEU 81 Ca 0.07 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3d0w h LEU 81 Cb 0.94 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3d0w h LEU 81 CO 0.09 1.04 0.46 -0.25 0.09 0.00 0.00 178.44 179.87 3d0w h TRP 82 N 0.87 1.11 0.00 1.13 2.91 -0.93 -2.54 115.95 118.49 3d0w h TRP 82 Ca 0.16 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.16 3d0w h TRP 82 Cb 0.54 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3d0w h TRP 82 CO 0.04 0.76 0.00 0.66 -1.03 0.00 0.00 178.44 178.87 3d0w h SER 83 N 1.13 0.00 -0.11 2.65 4.64 -1.09 -2.59 113.55 118.18 3d0w h SER 83 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3d0w h SER 83 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3d0w h SER 83 CO -0.05 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.24 3d0w n VAL 84 N -2.74 0.95 -3.51 0.95 0.24 -0.99 -5.03 118.33 108.21 3d0w n VAL 84 Ca -0.01 -0.98 -0.38 0.00 -2.04 0.00 0.00 64.34 60.94 3d0w n VAL 84 Cb 0.15 0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 32.99 3d0w n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d0w s ALA 85 N -0.97 3.70 0.74 2.33 0.00 -0.98 -5.10 121.76 121.49 3d0w s ALA 85 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 3d0w s ALA 85 Cb 0.04 -2.37 0.10 0.00 0.00 0.00 0.00 23.12 20.88 3d0w s ALA 85 CO 0.05 0.49 1.04 0.16 0.00 0.00 0.00 175.76 177.50 3d0w s ASP 86 N -1.15 4.46 0.20 0.00 1.47 -1.26 -4.78 116.67 115.60 3d0w s ASP 86 Ca 0.25 0.19 -0.15 0.00 1.18 0.00 0.00 52.55 54.01 3d0w s ASP 86 Cb -0.16 -0.69 0.21 0.00 -0.34 0.00 0.00 42.92 41.94 3d0w s ASP 86 CO 0.14 -1.81 1.62 -0.08 0.68 0.00 0.00 175.17 175.72 3d0w h GLU 87 N -0.70 -0.03 -0.77 2.11 4.81 -1.99 -0.55 114.58 117.46 3d0w h GLU 87 Ca -0.42 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 3d0w h GLU 87 Cb 1.29 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 3d0w h GLU 87 CO 0.51 -0.02 0.34 -0.44 -0.73 0.00 0.00 179.01 178.67 3d0w h ASP 88 N -0.03 1.01 0.50 1.04 5.19 -2.00 -2.47 116.42 119.65 3d0w h ASP 88 Ca 0.29 -0.13 -0.11 0.00 -0.62 0.00 0.00 57.03 56.46 3d0w h ASP 88 Cb 0.47 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3d0w h ASP 88 CO -0.64 0.87 -0.51 -0.33 -3.12 0.00 0.00 179.24 175.51 3d0w h GLU 89 N 1.10 0.02 -0.59 3.56 5.08 -1.67 -2.44 114.58 119.63 3d0w h GLU 89 Ca 0.26 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 3d0w h GLU 89 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3d0w h GLU 89 CO -0.03 0.53 0.01 0.87 -1.00 0.00 0.00 179.01 179.39 3d0w h LYS 90 N 0.02 1.03 -0.45 2.33 1.57 -0.69 0.49 116.57 120.86 3d0w h LYS 90 Ca -0.00 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.37 3d0w h LYS 90 Cb 0.92 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3d0w h LYS 90 CO 0.07 1.01 -0.06 0.93 -0.57 0.00 0.00 179.45 180.83 3d0w h GLU 91 N 0.92 0.83 -0.37 3.15 5.08 -1.30 -1.77 114.58 121.12 3d0w h GLU 91 Ca 0.17 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 3d0w h GLU 91 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3d0w h GLU 91 CO 0.03 0.92 -0.39 0.45 -1.00 0.00 0.00 179.01 179.02 3d0w h HIS 92 N 0.67 1.06 -0.53 4.33 3.86 -1.30 -1.84 115.15 121.41 3d0w h HIS 92 Ca 0.12 -0.31 -0.04 0.00 -1.16 0.00 0.00 60.37 58.98 3d0w h HIS 92 Cb 0.58 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 3d0w h HIS 92 CO 0.04 1.13 0.19 1.25 0.86 0.00 0.00 177.93 181.40 3d0w h LEU 93 N 0.72 0.75 -1.03 2.43 5.85 -0.85 0.69 115.31 123.88 3d0w h LEU 93 Ca 0.06 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3d0w h LEU 93 Cb 0.97 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3d0w h LEU 93 CO 0.09 0.74 0.57 0.00 -0.34 0.00 0.00 178.44 179.50 3d0w h ALA 94 N 1.04 1.28 -0.39 1.25 0.00 -1.22 -0.23 119.26 120.99 3d0w h ALA 94 Ca 0.17 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3d0w h ALA 94 Cb 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3d0w h ALA 94 CO -0.01 0.64 -0.30 1.96 0.00 0.00 0.00 179.25 181.54 3d0w h GLN 95 N 1.26 0.89 -0.59 0.00 4.20 -0.89 -2.12 115.11 117.85 3d0w h GLN 95 Ca 0.33 -0.44 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 3d0w h GLN 95 Cb -0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3d0w h GLN 95 CO -0.07 1.08 0.07 1.25 -0.67 0.00 0.00 178.83 180.50 3d0w h LEU 96 N 0.70 0.94 -1.48 1.46 5.85 -0.51 -2.41 115.31 119.85 3d0w h LEU 96 Ca 0.07 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3d0w h LEU 96 Cb 0.88 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3d0w h LEU 96 CO 0.08 0.96 -0.26 0.25 -0.34 0.00 0.00 178.44 179.13 3d0w h LEU 97 N 0.92 0.00 -0.57 2.25 5.85 -0.86 -1.83 115.31 121.06 3d0w h LEU 97 Ca 0.18 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3d0w h LEU 97 Cb 0.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3d0w h LEU 97 CO 0.01 0.26 0.07 0.58 -0.34 0.00 0.00 178.44 179.02 3d0w h VAL 98 N 0.00 1.26 -0.35 1.05 2.07 -0.88 -1.09 116.25 118.31 3d0w h VAL 98 Ca -0.00 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 3d0w h VAL 98 Cb 0.46 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3d0w h VAL 98 CO 0.03 0.37 -0.14 0.11 0.02 0.00 0.00 177.57 177.96 3d0w h LYS 99 N 0.85 0.61 -0.10 1.57 1.57 -1.20 -1.10 116.57 118.78 3d0w h LYS 99 Ca 0.17 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3d0w h LYS 99 Cb 0.45 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3d0w h LYS 99 CO 0.02 0.73 0.02 1.25 -0.57 0.00 0.00 179.45 180.90 3d0w h LEU 100 N 0.56 0.15 -1.63 2.94 6.46 -1.02 -0.16 115.31 122.61 3d0w h LEU 100 Ca 0.10 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 3d0w h LEU 100 Cb 0.56 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 3d0w h LEU 100 CO 0.04 0.36 -0.20 0.58 -0.62 0.00 0.00 178.44 178.60 3d0w h VAL 101 N -0.07 1.06 0.00 1.05 2.07 -1.01 -2.54 116.25 116.81 3d0w h VAL 101 Ca 0.03 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3d0w h VAL 101 Cb 0.27 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3d0w h VAL 101 CO 0.00 0.19 -0.59 0.47 0.02 0.00 0.00 177.57 177.67 3d0w n ASP 102 N -4.19 0.61 -4.67 0.57 8.00 -0.43 -4.90 116.55 111.54 3d0w n ASP 102 Ca -0.02 0.01 -0.51 0.00 0.71 0.00 0.00 54.79 54.97 3d0w n ASP 102 Cb 0.26 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 3d0w n ASP 102 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3d0w n LYS 103 N -1.90 1.72 0.00 -1.24 4.81 -0.09 -5.06 118.16 116.40 3d0w n LYS 103 Ca 0.04 0.63 0.06 0.00 -0.87 0.00 0.00 58.31 58.16 3d0w n LYS 103 Cb 0.40 -2.38 0.05 0.00 0.02 0.00 0.00 35.03 33.13 3d0w n LYS 103 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61