#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0w s THR 20 N 0.00 2.11 0.01 2.61 -4.23 -1.26 -5.15 115.64 109.73 3d0w s THR 20 Ca 0.00 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 58.62 3d0w s THR 20 Cb 0.00 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 3d0w s THR 20 CO 0.00 -0.02 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.24 3d0w s ILE 21 N -2.67 1.50 0.68 2.99 1.09 -1.26 -5.12 121.20 118.41 3d0w s ILE 21 Ca 0.36 -0.96 -0.17 0.00 -1.10 0.00 0.00 60.65 58.79 3d0w s ILE 21 Cb 0.08 -1.28 -0.05 0.00 -1.06 0.00 0.00 42.46 40.16 3d0w s ILE 21 CO 0.19 0.30 0.58 0.29 -0.10 0.00 0.00 174.94 176.20 3d0w n LYS 22 N 2.27 0.39 -0.12 2.79 5.02 -1.26 -4.79 118.16 122.46 3d0w n LYS 22 Ca -0.16 0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 3d0w n LYS 22 Cb 0.54 -1.85 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3d0w n LYS 22 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3d0w h GLU 23 N -0.19 0.53 0.00 1.97 4.81 -2.00 -2.27 114.58 117.43 3d0w h GLU 23 Ca -0.46 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 58.63 3d0w h GLU 23 Cb 1.36 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 3d0w h GLU 23 CO 0.44 0.50 -0.25 0.38 -0.73 0.00 0.00 179.01 179.35 3d0w h ASP 24 N 0.43 0.00 -0.02 1.04 3.04 -1.99 -0.98 116.42 117.95 3d0w h ASP 24 Ca 0.12 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.89 3d0w h ASP 24 Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 3d0w h ASP 24 CO -0.01 0.25 -0.07 0.40 -2.04 0.00 0.00 179.24 177.77 3d0w h ILE 25 N 0.00 1.48 -0.17 4.15 1.08 -1.86 -2.23 117.51 119.97 3d0w h ILE 25 Ca -0.00 -1.52 -0.00 0.00 -0.39 0.00 0.00 64.86 62.94 3d0w h ILE 25 Cb 0.57 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 3d0w h ILE 25 CO 0.03 0.41 0.09 -0.07 -0.69 0.00 0.00 178.15 177.91 3d0w h LEU 26 N -0.51 0.21 -0.32 1.44 3.38 -1.28 -1.47 115.31 116.76 3d0w h LEU 26 Ca -0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3d0w h LEU 26 Cb 0.70 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3d0w h LEU 26 CO 0.01 0.25 0.00 0.11 0.09 0.00 0.00 178.44 178.91 3d0w h LYS 27 N 0.15 0.09 -0.84 1.13 1.57 -1.25 0.36 116.57 117.79 3d0w h LYS 27 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3d0w h LYS 27 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3d0w h LYS 27 CO -0.01 0.06 0.54 -0.44 -0.57 0.00 0.00 179.45 179.03 3d0w h ASP 28 N 0.10 0.98 -0.54 0.86 5.19 -1.26 -1.54 116.42 120.21 3d0w h ASP 28 Ca 0.16 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3d0w h ASP 28 Cb 0.21 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3d0w h ASP 28 CO -0.26 0.73 0.11 0.15 -3.12 0.00 0.00 179.24 176.85 3d0w h PHE 29 N 1.14 0.93 -0.47 4.55 3.57 -0.50 -1.24 116.94 124.92 3d0w h PHE 29 Ca 0.31 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3d0w h PHE 29 Cb -0.10 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 3d0w h PHE 29 CO -0.01 0.82 0.30 0.93 -2.23 0.00 0.00 178.31 178.12 3d0w h GLU 30 N 0.77 0.63 -0.51 1.11 4.39 -0.57 0.23 114.58 120.64 3d0w h GLU 30 Ca 0.17 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.84 3d0w h GLU 30 Cb 0.37 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3d0w h GLU 30 CO 0.01 0.44 0.32 0.93 -1.16 0.00 0.00 179.01 179.54 3d0w h GLU 31 N 0.64 0.62 0.17 2.33 5.08 -1.12 0.19 114.58 122.49 3d0w h GLU 31 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3d0w h GLU 31 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3d0w h GLU 31 CO -0.04 0.41 -0.17 0.35 -1.00 0.00 0.00 179.01 178.56 3d0w h PHE 32 N 0.64 -0.46 -0.86 4.33 3.57 -0.56 -0.82 116.94 122.79 3d0w h PHE 32 Ca 0.20 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3d0w h PHE 32 Cb -0.02 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3d0w h PHE 32 CO -0.05 -0.26 0.56 -0.22 -2.23 0.00 0.00 178.31 176.10 3d0w h LYS 33 N -0.38 1.13 -0.78 1.11 3.64 -0.23 -2.53 116.57 118.53 3d0w h LYS 33 Ca 0.00 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3d0w h LYS 33 Cb 0.36 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3d0w h LYS 33 CO -0.05 0.76 0.33 0.78 -2.27 0.00 0.00 179.45 179.00 3d0w h GLY 34 N 1.16 1.24 1.90 5.01 0.00 -0.30 -2.25 103.07 109.82 3d0w h GLY 34 Ca 0.31 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3d0w h GLY 34 CO -0.07 0.62 -0.29 -1.82 0.00 0.00 0.00 176.54 174.98 3d0w h TYR 35 N 1.12 0.14 -0.17 5.60 3.20 -0.81 -2.44 116.97 123.60 3d0w h TYR 35 Ca 0.26 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 3d0w h TYR 35 Cb 0.18 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3d0w h TYR 35 CO 0.02 0.41 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.36 3d0w h LEU 36 N 0.11 0.75 -1.41 2.82 3.38 -1.11 -2.70 115.31 117.15 3d0w h LEU 36 Ca 0.02 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 3d0w h LEU 36 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3d0w h LEU 36 CO 0.04 1.21 0.13 0.50 0.09 0.00 0.00 178.44 180.41 3d0w h LYS 37 N 0.33 0.53 -0.00 1.13 3.64 -1.23 -0.29 116.57 120.68 3d0w h LYS 37 Ca -0.01 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 3d0w h LYS 37 Cb 1.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3d0w h LYS 37 CO 0.11 0.46 -0.55 0.87 -2.27 0.00 0.00 179.45 178.07 3d0w h LYS 38 N 0.53 0.01 -0.45 1.90 1.57 -1.40 -0.43 116.57 118.29 3d0w h LYS 38 Ca 0.13 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 3d0w h LYS 38 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3d0w h LYS 38 CO -0.01 0.56 -0.23 1.96 -0.57 0.00 0.00 179.45 181.16 3d0w h GLN 39 N 0.01 0.94 -0.42 3.15 1.08 -0.77 -0.76 115.11 118.34 3d0w h GLN 39 Ca -0.00 -0.40 -0.11 0.00 -1.45 0.00 0.00 58.65 56.69 3d0w h GLN 39 Cb 0.97 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 3d0w h GLN 39 CO 0.07 1.06 -0.16 0.28 -0.95 0.00 0.00 178.83 179.13 3d0w h VAL 40 N 0.81 1.28 -0.03 -0.54 2.07 -0.90 -2.44 116.25 116.49 3d0w h VAL 40 Ca 0.10 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3d0w h VAL 40 Cb 0.79 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3d0w h VAL 40 CO 0.07 0.44 -0.23 0.78 0.02 0.00 0.00 177.57 178.65 3d0w h ASN 41 N 0.67 -0.67 -0.28 0.57 -0.26 -0.82 -0.40 115.58 114.38 3d0w h ASN 41 Ca 0.10 0.10 0.06 0.00 -0.56 0.00 0.00 56.30 56.00 3d0w h ASN 41 Cb 0.71 0.28 -0.08 0.00 -1.06 0.00 0.00 38.32 38.18 3d0w h ASN 41 CO 0.05 -0.29 -0.37 0.03 -1.06 0.00 0.00 177.43 175.79 3d0w h ARG 42 N -0.34 -0.35 -0.79 0.81 2.47 -1.01 -2.17 114.38 112.99 3d0w h ARG 42 Ca 0.07 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 3d0w h ARG 42 Cb 0.44 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 3d0w h ARG 42 CO -0.23 -0.23 0.37 0.78 0.56 0.00 0.00 179.97 181.23 3d0w h GLY 43 N -0.36 1.22 0.99 0.04 0.00 -1.16 -2.63 103.07 101.18 3d0w h GLY 43 Ca 0.12 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3d0w h GLY 43 CO -0.47 0.58 0.32 0.50 0.00 0.00 0.00 176.54 177.46 3d0w h LYS 44 N 1.13 0.69 -0.16 4.80 1.79 -0.58 -1.92 116.57 122.31 3d0w h LYS 44 Ca 0.27 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 3d0w h LYS 44 Cb 0.12 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3d0w h LYS 44 CO -0.03 0.49 0.02 0.87 -1.08 0.00 0.00 179.45 179.72 3d0w h LYS 45 N 0.69 0.27 -0.40 3.15 1.79 -1.32 -0.22 116.57 120.53 3d0w h LYS 45 Ca 0.18 -0.08 0.08 0.00 -2.18 0.00 0.00 60.65 58.66 3d0w h LYS 45 Cb -0.03 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.51 3d0w h LYS 45 CO -0.04 0.46 -0.15 1.25 -1.08 0.00 0.00 179.45 179.90 3d0w h LEU 46 N 0.04 -0.52 -0.96 2.94 5.85 -1.35 0.48 115.31 121.78 3d0w h LEU 46 Ca 0.05 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3d0w h LEU 46 Cb 0.33 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3d0w h LEU 46 CO 0.00 -0.18 0.63 1.23 -0.34 0.00 0.00 178.44 179.78 3d0w h GLY 47 N -0.06 1.36 0.97 3.75 0.00 -1.22 -2.05 103.07 105.81 3d0w h GLY 47 Ca 0.20 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3d0w h GLY 47 CO -0.45 0.51 0.32 -2.00 0.00 0.00 0.00 176.54 174.92 3d0w h LEU 48 N 1.31 0.54 -1.01 3.11 5.85 0.13 0.63 115.31 125.88 3d0w h LEU 48 Ca 0.35 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 3d0w h LEU 48 Cb -0.13 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3d0w h LEU 48 CO -0.07 0.39 -0.12 0.44 -0.34 0.00 0.00 178.44 178.74 3d0w h ASP 49 N 0.65 0.56 -0.10 1.25 3.32 0.17 -1.94 116.42 120.34 3d0w h ASP 49 Ca 0.19 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3d0w h ASP 49 Cb -0.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3d0w h ASP 49 CO -0.05 0.71 0.00 0.47 -1.72 0.00 0.00 179.24 178.65 3d0w n ASP 50 N -4.19 0.70 -3.04 6.45 9.92 -0.81 -4.88 116.55 120.69 3d0w n ASP 50 Ca 0.01 -1.72 -0.19 0.00 -0.53 0.00 0.00 54.79 52.35 3d0w n ASP 50 Cb 0.33 -0.06 0.07 0.00 -0.64 0.00 0.00 41.12 40.82 3d0w n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d0w n GLY 51 N 0.84 -0.28 3.07 0.44 0.00 -0.73 -5.02 105.19 103.53 3d0w n GLY 51 Ca 0.11 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.00 0.57 -0.12 1.61 1.02 0.21 -5.01 119.74 112.03 3d0w s LYS 52 Ca 0.44 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.51 3d0w s LYS 52 Cb -0.19 -0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 36.69 3d0w s LYS 52 CO 0.60 0.07 0.37 -0.51 -0.92 0.00 0.00 175.35 174.97 3d0w s LEU 53 N -1.54 4.29 -0.10 3.17 1.43 -1.26 -3.33 118.68 121.34 3d0w s LEU 53 Ca -0.08 0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3d0w s LEU 53 Cb -0.10 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.63 3d0w s LEU 53 CO 0.01 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.92 3d0w s VAL 54 N 0.30 0.96 0.35 -1.59 1.01 -1.26 -5.07 120.40 115.10 3d0w s VAL 54 Ca 0.21 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 3d0w s VAL 54 Cb -0.14 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 3d0w s VAL 54 CO 0.07 0.35 1.23 -0.54 0.00 0.00 0.00 175.10 176.22 3d0w s LYS 55 N 1.55 4.26 0.43 2.72 1.02 -1.26 -4.80 119.74 123.67 3d0w s LYS 55 Ca 0.02 2.03 0.13 0.00 0.02 0.00 0.00 55.97 58.17 3d0w s LYS 55 Cb -0.13 -2.93 1.02 0.00 -0.52 0.00 0.00 37.83 35.26 3d0w s LYS 55 CO -0.06 -0.20 1.99 0.77 -0.92 0.00 0.00 175.35 176.93 3d0w h SER 56 N 3.14 0.37 -0.14 2.83 0.02 -1.99 -1.62 113.55 116.15 3d0w h SER 56 Ca -0.49 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.36 3d0w h SER 56 Cb 1.23 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3d0w h SER 56 CO 0.64 0.23 -0.27 0.00 -1.14 0.00 0.00 176.83 176.29 3d0w h ALA 57 N 1.71 0.97 -0.36 3.77 0.00 -1.92 -1.05 119.26 122.38 3d0w h ALA 57 Ca 0.25 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3d0w h ALA 57 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3d0w h ALA 57 CO -0.07 0.60 -0.23 0.00 0.00 0.00 0.00 179.25 179.55 3d0w h ALA 58 N 1.18 0.51 0.60 0.00 0.00 -1.70 -0.64 119.26 119.21 3d0w h ALA 58 Ca 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3d0w h ALA 58 Cb 0.74 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3d0w h ALA 58 CO 0.06 0.49 -0.29 0.82 0.00 0.00 0.00 179.25 180.33 3d0w h ILE 59 N 0.58 0.41 0.00 0.00 1.08 -1.22 0.13 117.51 118.49 3d0w h ILE 59 Ca 0.07 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 3d0w h ILE 59 Cb 0.79 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 3d0w h ILE 59 CO 0.06 0.00 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.38 3d0w h LEU 60 N -0.81 0.00 -0.12 1.44 3.38 -1.22 -0.67 115.31 117.32 3d0w h LEU 60 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3d0w h LEU 60 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3d0w h LEU 60 CO 0.13 0.08 -0.04 1.23 0.09 0.00 0.00 178.44 179.93 3d0w h GLY 61 N 0.30 0.26 1.31 0.83 0.00 -0.52 -1.36 103.07 103.89 3d0w h GLY 61 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3d0w h GLY 61 CO 0.01 0.20 0.31 -0.55 0.00 0.00 0.00 176.54 176.51 3d0w h ASP 62 N -0.09 0.81 0.19 0.19 3.32 0.04 -1.88 116.42 119.00 3d0w h ASP 62 Ca 0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3d0w h ASP 62 Cb 0.47 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3d0w h ASP 62 CO 0.01 0.69 -0.09 0.22 -1.72 0.00 0.00 179.24 178.35 3d0w h TYR 63 N 0.90 -0.23 0.00 4.55 3.20 -0.96 -2.67 116.97 121.75 3d0w h TYR 63 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3d0w h TYR 63 Cb 0.09 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3d0w h TYR 63 CO 0.01 -0.13 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.19 3d0w h LEU 64 N -0.27 0.00 0.00 2.82 3.38 -0.98 -1.68 115.31 118.58 3d0w h LEU 64 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3d0w h LEU 64 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3d0w h LEU 64 CO 0.04 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3d0w n ALA 65 N -2.40 2.10 0.79 1.53 0.00 -0.73 -2.34 120.51 119.45 3d0w n ALA 65 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3d0w n ALA 65 Cb 0.23 -1.29 0.20 0.00 0.00 0.00 0.00 19.45 18.59 3d0w n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3d0w n LYS 66 N -1.11 0.14 -3.94 0.00 4.76 -0.63 -4.98 118.16 112.40 3d0w n LYS 66 Ca 0.12 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.32 3d0w n LYS 66 Cb 0.09 -1.58 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 3d0w n LYS 66 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3d0w n HIS 67 N -1.78 -1.79 -2.26 2.13 8.25 -0.99 -4.93 115.22 113.85 3d0w n HIS 67 Ca 0.04 0.79 -0.35 0.00 -0.26 0.00 0.00 57.72 57.95 3d0w n HIS 67 Cb 0.39 -3.78 0.00 0.00 1.12 0.00 0.00 29.99 27.72 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 -6.51 3.38 0.04 -0.41 2.02 -1.26 -4.93 118.70 111.02 3d0w s GLU 68 Ca 0.20 1.55 -0.31 0.00 0.02 0.00 0.00 54.97 56.43 3d0w s GLU 68 Cb -0.10 -2.01 -0.10 0.00 0.10 0.00 0.00 34.13 32.01 3d0w s GLU 68 CO 0.87 -0.82 1.91 -1.91 0.02 0.00 0.00 175.26 175.33 3d0w n GLU 69 N -1.35 2.68 -2.05 1.61 2.13 -1.26 -4.94 120.64 117.47 3d0w n GLU 69 Ca 0.11 0.98 -0.41 0.00 0.66 0.00 0.00 57.16 58.50 3d0w n GLU 69 Cb 0.51 -2.89 -0.02 0.00 0.27 0.00 0.00 31.44 29.31 3d0w n GLU 69 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3d0w s PRO 70 N 3.82 4.29 0.00 5.31 0.04 -1.26 -4.93 135.00 142.27 3d0w s PRO 70 Ca 0.88 2.27 0.14 0.00 0.04 0.00 0.00 61.00 64.33 3d0w s PRO 70 Cb -0.51 -3.09 0.17 0.00 0.04 0.00 0.00 34.50 31.11 3d0w s PRO 70 CO 0.43 -0.34 1.03 1.04 0.04 0.00 0.00 177.00 179.20 3d0w n GLN 71 N 1.74 1.37 -3.74 4.56 1.13 -1.26 -5.03 117.38 116.15 3d0w n GLN 71 Ca 0.04 -1.53 -0.03 0.00 -1.94 0.00 0.00 57.00 53.54 3d0w n GLN 71 Cb 0.41 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.46 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 -1.14 -0.17 0.41 1.08 2.20 -1.26 -5.03 114.94 111.03 3d0w s ASN 72 Ca 0.19 -0.37 0.12 0.00 -0.94 0.00 0.00 52.86 51.86 3d0w s ASN 72 Cb 0.13 0.46 0.96 0.00 -2.00 0.00 0.00 41.25 40.79 3d0w s ASN 72 CO 0.18 -0.85 1.94 1.23 -2.94 0.00 0.00 177.10 176.66 3d0w h GLY 73 N 2.00 0.77 0.98 0.45 0.00 -1.99 -2.45 103.07 102.83 3d0w h GLY 73 Ca -0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3d0w h GLY 73 CO 0.26 0.11 -0.28 0.83 0.00 0.00 0.00 176.54 177.46 3d0w h GLU 74 N 0.51 -0.73 -1.90 4.80 3.07 -1.96 -1.34 114.58 117.03 3d0w h GLU 74 Ca 0.34 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3d0w h GLU 74 Cb 0.62 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3d0w h GLU 74 CO -0.11 -0.49 0.00 0.39 -1.40 0.00 0.00 179.01 177.40 3d0w n GLU 75 N -5.42 0.12 0.00 2.33 1.02 -0.92 -1.77 120.64 116.00 3d0w n GLU 75 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3d0w n GLU 75 Cb 0.32 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 1.10 0.00 -0.14 -4.62 7.94 -0.51 -1.40 117.00 119.37 3d0w n LEU 77 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3d0w n LEU 77 Cb 0.06 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.04 3d0w n LEU 77 CO 0.00 0.00 1.02 -0.07 -1.11 0.00 0.00 177.39 177.23 3d0w h LEU 78 N 0.00 0.37 -0.66 -1.96 3.38 -1.60 0.15 115.31 114.99 3d0w h LEU 78 Ca 0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3d0w h LEU 78 Cb 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3d0w h LEU 78 CO 0.00 0.27 0.44 -0.61 0.09 0.00 0.00 178.44 178.62 3d0w h GLN 79 N 0.49 0.86 -0.53 1.13 4.15 -1.50 0.12 115.11 119.83 3d0w h GLN 79 Ca 0.19 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 3d0w h GLN 79 Cb 0.06 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3d0w h GLN 79 CO -0.11 0.57 -0.13 0.93 -1.93 0.00 0.00 178.83 178.17 3d0w h GLU 80 N 0.89 1.03 -0.38 1.69 4.39 -1.66 -1.89 114.58 118.64 3d0w h GLU 80 Ca 0.25 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 3d0w h GLU 80 Cb -0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3d0w h GLU 80 CO -0.06 1.08 0.03 -0.07 -1.16 0.00 0.00 179.01 178.83 3d0w h LEU 81 N 0.90 0.64 -1.40 1.33 3.38 -0.40 -2.82 115.31 116.93 3d0w h LEU 81 Ca 0.14 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3d0w h LEU 81 Cb 0.70 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3d0w h LEU 81 CO 0.05 0.77 0.46 -0.25 0.09 0.00 0.00 178.44 179.56 3d0w h TRP 82 N 0.49 0.74 0.00 1.13 2.91 -0.61 -2.23 115.95 118.37 3d0w h TRP 82 Ca 0.11 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3d0w h TRP 82 Cb 0.43 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3d0w h TRP 82 CO 0.03 0.40 0.00 -1.13 -1.03 0.00 0.00 178.44 176.71 3d0w n SER 83 N -4.47 0.50 -0.23 2.65 3.41 -0.73 -2.91 113.62 111.84 3d0w n SER 83 Ca 0.10 0.60 0.02 0.00 -0.26 0.00 0.00 58.87 59.33 3d0w n SER 83 Cb 0.21 -0.72 0.04 0.00 -0.26 0.00 0.00 64.21 63.48 3d0w n SER 83 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3d0w n VAL 84 N -2.03 0.53 -3.29 -3.33 0.24 -0.87 -5.02 118.33 104.55 3d0w n VAL 84 Ca 0.03 -0.76 -0.37 0.00 -2.04 0.00 0.00 64.34 61.19 3d0w n VAL 84 Cb 0.26 0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.72 3.58 0.84 2.33 0.00 -1.02 -5.08 121.76 121.69 3d0w s ALA 85 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 3d0w s ALA 85 Cb 0.05 -2.61 0.17 0.00 0.00 0.00 0.00 23.12 20.73 3d0w s ALA 85 CO 0.06 0.41 1.16 0.16 0.00 0.00 0.00 175.76 177.55 3d0w s ASP 86 N -1.32 3.69 0.19 0.00 1.47 -1.26 -4.79 116.67 114.66 3d0w s ASP 86 Ca 0.32 -0.13 -0.12 0.00 1.18 0.00 0.00 52.55 53.80 3d0w s ASP 86 Cb -0.18 -0.05 0.22 0.00 -0.34 0.00 0.00 42.92 42.56 3d0w s ASP 86 CO 0.19 -2.32 1.71 -0.08 0.68 0.00 0.00 175.17 175.34 3d0w h GLU 87 N -1.08 0.21 -0.48 2.11 4.81 -1.99 -0.48 114.58 117.67 3d0w h GLU 87 Ca -0.39 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.72 3d0w h GLU 87 Cb 1.25 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3d0w h GLU 87 CO 0.37 0.14 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.25 3d0w h ASP 88 N 0.22 0.93 -0.39 1.04 3.32 -2.00 -2.56 116.42 116.97 3d0w h ASP 88 Ca 0.27 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3d0w h ASP 88 Cb 0.38 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3d0w h ASP 88 CO -0.36 1.07 0.14 -0.33 -1.72 0.00 0.00 179.24 178.03 3d0w h GLU 89 N 0.78 0.67 -0.41 3.56 5.08 -1.81 -1.75 114.58 120.69 3d0w h GLU 89 Ca 0.12 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3d0w h GLU 89 Cb 0.65 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3d0w h GLU 89 CO 0.04 0.59 0.14 0.87 -1.00 0.00 0.00 179.01 179.65 3d0w h LYS 90 N 0.66 0.63 -0.18 2.33 1.57 -0.85 0.99 116.57 121.72 3d0w h LYS 90 Ca 0.15 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3d0w h LYS 90 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3d0w h LYS 90 CO -0.01 0.61 0.11 0.93 -0.57 0.00 0.00 179.45 180.53 3d0w h GLU 91 N 0.52 0.24 -0.55 3.15 5.08 -1.04 -0.75 114.58 121.23 3d0w h GLU 91 Ca 0.13 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3d0w h GLU 91 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3d0w h GLU 91 CO -0.01 0.18 -0.03 0.45 -1.00 0.00 0.00 179.01 178.60 3d0w h HIS 92 N 0.23 1.05 -0.60 4.33 3.86 -1.22 -1.06 115.15 121.74 3d0w h HIS 92 Ca 0.06 -0.18 -0.08 0.00 -1.16 0.00 0.00 60.37 59.01 3d0w h HIS 92 Cb -0.00 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 3d0w h HIS 92 CO -0.06 0.95 0.05 1.25 0.86 0.00 0.00 177.93 180.98 3d0w h LEU 93 N 0.88 0.97 -0.59 2.43 5.85 -0.63 -0.57 115.31 123.66 3d0w h LEU 93 Ca 0.15 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3d0w h LEU 93 Cb 0.56 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3d0w h LEU 93 CO 0.03 1.00 0.21 0.00 -0.34 0.00 0.00 178.44 179.34 3d0w h ALA 94 N 1.10 0.77 -0.44 1.25 0.00 -0.81 -1.06 119.26 120.08 3d0w h ALA 94 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3d0w h ALA 94 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3d0w h ALA 94 CO 0.02 0.42 0.11 1.96 0.00 0.00 0.00 179.25 181.76 3d0w h GLN 95 N 0.83 0.70 -0.60 0.00 4.20 -0.88 -1.78 115.11 117.57 3d0w h GLN 95 Ca 0.19 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3d0w h GLN 95 Cb 0.25 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3d0w h GLN 95 CO -0.01 0.70 0.35 1.25 -0.67 0.00 0.00 178.83 180.44 3d0w h LEU 96 N 0.57 0.73 -0.69 1.46 5.85 -0.92 -2.10 115.31 120.21 3d0w h LEU 96 Ca 0.14 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3d0w h LEU 96 Cb 0.31 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3d0w h LEU 96 CO 0.00 0.58 0.01 0.25 -0.34 0.00 0.00 178.44 178.93 3d0w h LEU 97 N 0.84 0.99 -1.20 2.25 5.85 -0.78 -1.88 115.31 121.39 3d0w h LEU 97 Ca 0.22 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3d0w h LEU 97 Cb -0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3d0w h LEU 97 CO -0.04 1.04 0.30 0.58 -0.34 0.00 0.00 178.44 179.99 3d0w h VAL 98 N 0.94 1.20 -0.19 1.05 2.07 -0.66 0.86 116.25 121.52 3d0w h VAL 98 Ca 0.17 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 3d0w h VAL 98 Cb 0.53 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3d0w h VAL 98 CO 0.03 0.23 -0.41 0.11 0.02 0.00 0.00 177.57 177.55 3d0w h LYS 99 N 0.86 0.43 0.14 1.57 1.57 -1.08 -0.60 116.57 119.46 3d0w h LYS 99 Ca 0.22 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3d0w h LYS 99 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3d0w h LYS 99 CO -0.03 0.77 -0.07 1.25 -0.57 0.00 0.00 179.45 180.80 3d0w h LEU 100 N 0.36 -0.16 -0.34 2.94 6.46 -0.52 -2.95 115.31 121.10 3d0w h LEU 100 Ca 0.03 -0.29 0.07 0.00 -0.12 0.00 0.00 57.88 57.57 3d0w h LEU 100 Cb 0.88 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.77 3d0w h LEU 100 CO 0.07 0.23 -0.14 0.58 -0.62 0.00 0.00 178.44 178.56 3d0w h VAL 101 N -0.57 0.54 -0.05 1.05 2.07 -0.75 -1.64 116.25 116.90 3d0w h VAL 101 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3d0w h VAL 101 Cb 0.44 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3d0w h VAL 101 CO 0.03 0.00 0.03 0.47 0.02 0.00 0.00 177.57 178.12 3d0w n ASP 102 N -5.33 2.95 -4.87 0.57 8.00 -0.24 -4.86 116.55 112.77 3d0w n ASP 102 Ca 0.01 -2.08 -0.37 0.00 0.71 0.00 0.00 54.79 53.06 3d0w n ASP 102 Cb 0.24 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 3d0w n ASP 102 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d0w s LYS 103 N -0.21 3.58 0.00 -1.24 2.20 -0.62 -4.98 119.74 118.47 3d0w s LYS 103 Ca 0.03 0.03 0.06 0.00 -0.36 0.00 0.00 55.97 55.72 3d0w s LYS 103 Cb 0.02 -3.20 0.33 0.00 -1.51 0.00 0.00 37.83 33.47 3d0w s LYS 103 CO 0.01 0.75 0.80 1.04 -0.36 0.00 0.00 175.35 177.59