#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0w n LYS 22 N 0.00 0.00 -0.22 0.38 5.02 -1.26 -4.76 118.16 117.32 3d0w n LYS 22 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3d0w n LYS 22 Cb 0.00 -0.96 0.16 0.00 -0.02 0.00 0.00 35.03 34.21 3d0w n LYS 22 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3d0w h GLU 23 N 0.66 1.01 -0.64 1.97 3.07 -2.05 -2.76 114.58 115.83 3d0w h GLU 23 Ca -0.31 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.33 3d0w h GLU 23 Cb 1.39 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 3d0w h GLU 23 CO 0.50 0.80 0.11 0.38 -1.40 0.00 0.00 179.01 179.40 3d0w h ASP 24 N 1.00 1.00 0.40 1.42 2.03 -1.99 -1.47 116.42 118.81 3d0w h ASP 24 Ca 0.24 -0.23 -0.02 0.00 -0.73 0.00 0.00 57.03 56.29 3d0w h ASP 24 Cb 0.14 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.38 3d0w h ASP 24 CO -0.03 0.99 -0.19 0.40 -1.03 0.00 0.00 179.24 179.38 3d0w h ILE 25 N 0.99 0.61 -0.44 4.15 1.08 -1.85 -2.13 117.51 119.91 3d0w h ILE 25 Ca 0.20 -0.17 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 3d0w h ILE 25 Cb 0.42 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 3d0w h ILE 25 CO 0.01 0.03 0.09 -0.07 -0.69 0.00 0.00 178.15 177.52 3d0w h LEU 26 N -0.64 0.01 -0.69 1.44 3.38 -1.41 -2.05 115.31 115.35 3d0w h LEU 26 Ca -0.06 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3d0w h LEU 26 Cb 0.47 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3d0w h LEU 26 CO 0.09 0.04 0.41 0.50 0.09 0.00 0.00 178.44 179.58 3d0w h LYS 27 N 0.23 0.77 -0.67 1.13 3.64 -1.20 0.40 116.57 120.87 3d0w h LYS 27 Ca 0.22 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3d0w h LYS 27 Cb 0.27 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3d0w h LYS 27 CO -0.28 0.51 0.24 -0.44 -2.27 0.00 0.00 179.45 177.21 3d0w h ASP 28 N 0.79 0.93 -0.21 4.20 3.32 -0.93 -1.35 116.42 123.18 3d0w h ASP 28 Ca 0.29 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3d0w h ASP 28 Cb 0.08 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 3d0w h ASP 28 CO -0.14 0.85 -0.13 0.15 -1.72 0.00 0.00 179.24 178.26 3d0w h PHE 29 N 0.98 0.53 -0.79 4.55 3.57 -0.63 -0.82 116.94 124.33 3d0w h PHE 29 Ca 0.22 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3d0w h PHE 29 Cb 0.23 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3d0w h PHE 29 CO 0.02 0.76 0.42 0.93 -2.23 0.00 0.00 178.31 178.20 3d0w h GLU 30 N 0.14 1.11 -0.47 1.11 4.39 -0.80 0.22 114.58 120.28 3d0w h GLU 30 Ca 0.04 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3d0w h GLU 30 Cb 0.64 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3d0w h GLU 30 CO 0.04 0.82 -0.19 0.93 -1.16 0.00 0.00 179.01 179.45 3d0w h GLU 31 N 1.11 0.96 -0.20 2.33 5.08 -1.19 0.48 114.58 123.16 3d0w h GLU 31 Ca 0.28 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3d0w h GLU 31 Cb 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3d0w h GLU 31 CO -0.04 1.07 0.09 0.35 -1.00 0.00 0.00 179.01 179.48 3d0w h PHE 32 N 0.81 0.29 -0.39 4.33 3.57 -0.50 -1.06 116.94 124.00 3d0w h PHE 32 Ca 0.11 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3d0w h PHE 32 Cb 0.76 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3d0w h PHE 32 CO 0.05 0.32 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.14 3d0w h LYS 33 N 0.18 0.67 -0.47 1.11 3.64 -0.49 -2.04 116.57 119.17 3d0w h LYS 33 Ca 0.07 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 3d0w h LYS 33 Cb 0.15 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3d0w h LYS 33 CO -0.01 0.76 -0.10 0.78 -2.27 0.00 0.00 179.45 178.61 3d0w h GLY 34 N 0.96 0.93 0.90 5.01 0.00 -0.67 -0.53 103.07 109.67 3d0w h GLY 34 Ca 0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3d0w h GLY 34 CO 0.03 0.65 0.10 -1.82 0.00 0.00 0.00 176.54 175.50 3d0w h TYR 35 N 0.78 0.43 -0.71 5.60 3.20 -0.85 -1.14 116.97 124.28 3d0w h TYR 35 Ca 0.13 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 3d0w h TYR 35 Cb 0.61 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3d0w h TYR 35 CO 0.03 0.45 0.17 -0.07 -1.64 0.00 0.00 178.16 177.11 3d0w h LEU 36 N 0.29 1.08 -1.17 2.82 3.38 -1.20 -1.39 115.31 119.12 3d0w h LEU 36 Ca 0.09 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3d0w h LEU 36 Cb 0.21 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3d0w h LEU 36 CO -0.00 1.03 0.07 0.50 0.09 0.00 0.00 178.44 180.13 3d0w h LYS 37 N 1.08 0.65 -0.17 1.13 3.64 -0.86 -1.51 116.57 120.55 3d0w h LYS 37 Ca 0.22 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 3d0w h LYS 37 Cb 0.38 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3d0w h LYS 37 CO 0.00 0.62 -0.49 -0.22 -2.27 0.00 0.00 179.45 177.10 3d0w h LYS 38 N 0.63 0.44 -0.17 1.90 3.64 -0.81 -1.95 116.57 120.25 3d0w h LYS 38 Ca 0.14 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3d0w h LYS 38 Cb 0.29 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3d0w h LYS 38 CO 0.00 0.83 0.10 1.96 -2.27 0.00 0.00 179.45 180.07 3d0w h GLN 39 N 0.35 0.23 -0.37 1.90 1.08 -0.52 -1.29 115.11 116.48 3d0w h GLN 39 Ca 0.02 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3d0w h GLN 39 Cb 0.98 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 3d0w h GLN 39 CO 0.09 0.21 0.17 0.28 -0.95 0.00 0.00 178.83 178.62 3d0w h VAL 40 N 0.19 1.18 -0.38 -0.54 2.07 -1.17 -0.85 116.25 116.75 3d0w h VAL 40 Ca 0.06 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3d0w h VAL 40 Cb 0.04 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3d0w h VAL 40 CO -0.01 0.19 0.14 -1.13 0.02 0.00 0.00 177.57 176.78 3d0w h ASN 41 N 0.46 0.54 -0.48 0.57 -0.73 -1.28 -0.26 115.58 114.40 3d0w h ASN 41 Ca 0.13 -0.18 0.01 0.00 1.87 0.00 0.00 56.30 58.12 3d0w h ASN 41 Cb 0.14 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3d0w h ASN 41 CO -0.01 0.58 0.32 -0.09 -0.37 0.00 0.00 177.43 177.85 3d0w h ARG 42 N 0.47 0.63 -0.63 6.67 1.12 -1.14 -0.14 114.38 121.36 3d0w h ARG 42 Ca 0.13 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.91 3d0w h ARG 42 Cb 0.22 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 3d0w h ARG 42 CO -0.01 0.41 0.21 0.78 -3.11 0.00 0.00 179.97 178.25 3d0w h GLY 43 N 0.65 1.04 1.25 2.80 0.00 -0.92 -1.30 103.07 106.58 3d0w h GLY 43 Ca 0.18 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 3d0w h GLY 43 CO -0.04 0.57 -0.26 0.50 0.00 0.00 0.00 176.54 177.30 3d0w h LYS 44 N 0.90 0.85 -0.43 4.80 1.57 -0.73 -1.73 116.57 121.79 3d0w h LYS 44 Ca 0.20 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 3d0w h LYS 44 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3d0w h LYS 44 CO -0.01 1.01 -0.08 0.87 -0.57 0.00 0.00 179.45 180.67 3d0w h LYS 45 N 0.73 0.82 -0.63 3.15 1.79 -0.91 -0.17 116.57 121.35 3d0w h LYS 45 Ca 0.09 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 3d0w h LYS 45 Cb 0.81 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 3d0w h LYS 45 CO 0.07 0.93 0.23 -0.07 -1.08 0.00 0.00 179.45 179.53 3d0w h LEU 46 N 0.65 0.86 -0.25 2.94 3.38 -1.17 0.21 115.31 121.93 3d0w h LEU 46 Ca 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3d0w h LEU 46 Cb 0.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3d0w h LEU 46 CO 0.04 0.78 0.07 1.23 0.09 0.00 0.00 178.44 180.65 3d0w h GLY 47 N 1.02 0.42 1.37 0.83 0.00 -1.04 -2.30 103.07 103.38 3d0w h GLY 47 Ca 0.21 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.31 3d0w h GLY 47 CO -0.02 0.24 0.35 -2.00 0.00 0.00 0.00 176.54 175.12 3d0w h LEU 48 N 0.24 0.52 -1.72 3.11 5.85 -0.46 0.51 115.31 123.35 3d0w h LEU 48 Ca 0.08 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3d0w h LEU 48 Cb 0.25 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3d0w h LEU 48 CO -0.00 0.36 -0.16 0.44 -0.34 0.00 0.00 178.44 178.74 3d0w h ASP 49 N 0.61 0.00 -0.57 1.25 3.32 -0.41 -2.09 116.42 118.53 3d0w h ASP 49 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3d0w h ASP 49 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3d0w h ASP 49 CO -0.06 0.16 0.00 0.47 -1.72 0.00 0.00 179.24 178.10 3d0w n ASP 50 N -4.21 5.09 -1.32 6.45 9.92 -0.01 -4.94 116.55 127.53 3d0w n ASP 50 Ca -0.02 -2.71 -0.14 0.00 -0.53 0.00 0.00 54.79 51.39 3d0w n ASP 50 Cb 0.23 -0.62 -0.04 0.00 -0.64 0.00 0.00 41.12 40.06 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 0.73 0.69 3.29 0.44 0.00 -0.78 -5.01 105.19 104.55 3d0w n GLY 51 Ca 0.26 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.88 1.15 -0.28 1.61 1.02 -0.14 -4.99 119.74 114.23 3d0w s LYS 52 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 55.97 54.62 3d0w s LYS 52 Cb 0.00 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 3d0w s LYS 52 CO 0.00 0.27 0.24 -0.51 -0.92 0.00 0.00 175.35 174.43 3d0w s LEU 53 N -2.27 4.03 -0.13 3.17 1.43 -1.26 -2.75 118.68 120.90 3d0w s LEU 53 Ca 0.10 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3d0w s LEU 53 Cb -0.08 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3d0w s LEU 53 CO 0.05 -0.08 -0.03 -0.69 0.23 0.00 0.00 176.35 175.83 3d0w s VAL 54 N 1.83 3.99 0.33 -1.59 1.01 -1.26 -5.08 120.40 119.63 3d0w s VAL 54 Ca 0.09 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 3d0w s VAL 54 Cb -0.16 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 3d0w s VAL 54 CO 0.11 0.53 0.98 -0.54 0.00 0.00 0.00 175.10 176.18 3d0w s LYS 55 N -0.10 4.51 0.18 2.72 1.02 -1.26 -4.80 119.74 122.01 3d0w s LYS 55 Ca 0.03 1.42 -0.13 0.00 0.02 0.00 0.00 55.97 57.31 3d0w s LYS 55 Cb -0.13 -2.81 0.11 0.00 -0.52 0.00 0.00 37.83 34.49 3d0w s LYS 55 CO 0.02 0.20 1.83 0.77 -0.92 0.00 0.00 175.35 177.25 3d0w h SER 56 N 3.14 0.58 -0.67 2.83 0.02 -1.99 -2.30 113.55 115.16 3d0w h SER 56 Ca -0.47 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.53 3d0w h SER 56 Cb 1.20 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 3d0w h SER 56 CO 0.65 0.41 0.44 0.00 -1.14 0.00 0.00 176.83 177.19 3d0w h ALA 57 N 1.24 1.72 -0.38 3.77 0.00 -1.94 -0.60 119.26 123.07 3d0w h ALA 57 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3d0w h ALA 57 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3d0w h ALA 57 CO -0.08 0.18 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 3d0w h ALA 58 N 1.63 0.53 -0.19 0.00 0.00 -1.81 -0.00 119.26 119.42 3d0w h ALA 58 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3d0w h ALA 58 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3d0w h ALA 58 CO -0.09 0.42 0.08 0.82 0.00 0.00 0.00 179.25 180.48 3d0w h ILE 59 N 0.56 1.16 -0.45 0.00 1.08 -0.98 -0.41 117.51 118.47 3d0w h ILE 59 Ca 0.09 -0.48 -0.09 0.00 -0.39 0.00 0.00 64.86 64.00 3d0w h ILE 59 Cb 0.65 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 3d0w h ILE 59 CO 0.04 0.15 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.51 3d0w h LEU 60 N 0.16 0.77 -0.52 1.44 3.38 -1.12 -1.17 115.31 118.25 3d0w h LEU 60 Ca 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3d0w h LEU 60 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3d0w h LEU 60 CO -0.01 0.89 0.22 1.23 0.09 0.00 0.00 178.44 180.86 3d0w h GLY 61 N 0.97 0.83 1.65 0.83 0.00 -0.81 -0.99 103.07 105.56 3d0w h GLY 61 Ca 0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3d0w h GLY 61 CO 0.03 0.42 -0.08 -0.55 0.00 0.00 0.00 176.54 176.36 3d0w h ASP 62 N 0.70 0.41 -0.18 0.19 3.32 -0.71 -0.56 116.42 119.59 3d0w h ASP 62 Ca 0.17 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3d0w h ASP 62 Cb 0.18 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3d0w h ASP 62 CO -0.02 0.54 0.04 0.22 -1.72 0.00 0.00 179.24 178.30 3d0w h TYR 63 N 0.41 0.30 -0.36 4.55 3.20 -0.79 -2.87 116.97 121.41 3d0w h TYR 63 Ca 0.08 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3d0w h TYR 63 Cb 0.40 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3d0w h TYR 63 CO 0.01 0.43 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.82 3d0w h LEU 64 N 0.10 0.58 -1.51 2.82 3.38 -0.84 -2.23 115.31 117.61 3d0w h LEU 64 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3d0w h LEU 64 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3d0w h LEU 64 CO 0.00 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.22 3d0w h ALA 65 N 1.38 1.00 0.00 1.53 0.00 -0.93 -2.39 119.26 119.84 3d0w h ALA 65 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3d0w h ALA 65 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3d0w h ALA 65 CO 0.02 0.00 -0.17 0.87 0.00 0.00 0.00 179.25 179.98 3d0w h LYS 66 N 0.00 0.00 -5.81 0.00 1.57 -1.18 -3.48 116.57 107.67 3d0w h LYS 66 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3d0w h LYS 66 Cb 0.21 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.65 3d0w h LYS 66 CO 0.00 0.17 -0.77 0.72 -0.57 0.00 0.00 179.45 179.00 3d0w n HIS 67 N -3.22 -2.23 -2.21 -1.35 8.25 -0.90 -4.95 115.22 108.61 3d0w n HIS 67 Ca 0.02 0.93 -0.37 0.00 -0.26 0.00 0.00 57.72 58.03 3d0w n HIS 67 Cb 0.48 -4.87 -0.01 0.00 1.12 0.00 0.00 29.99 26.71 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 -5.70 3.73 -0.04 -0.41 2.02 -1.26 -4.91 118.70 112.14 3d0w s GLU 68 Ca 0.11 1.84 -0.34 0.00 0.02 0.00 0.00 54.97 56.61 3d0w s GLU 68 Cb -0.05 -2.43 -0.12 0.00 0.10 0.00 0.00 34.13 31.63 3d0w s GLU 68 CO 0.75 -0.59 1.84 -1.91 0.02 0.00 0.00 175.26 175.37 3d0w n GLU 69 N -0.46 2.21 -1.88 1.61 2.13 -1.26 -4.89 120.64 118.11 3d0w n GLU 69 Ca 0.07 0.81 -0.42 0.00 0.66 0.00 0.00 57.16 58.28 3d0w n GLU 69 Cb 0.47 -2.65 -0.03 0.00 0.27 0.00 0.00 31.44 29.51 3d0w n GLU 69 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3d0w s PRO 70 N 3.58 4.19 -0.00 5.31 0.02 -1.26 -4.90 135.00 141.93 3d0w s PRO 70 Ca 0.90 2.44 0.14 0.00 0.02 0.00 0.00 61.00 64.50 3d0w s PRO 70 Cb -0.68 -3.12 -0.16 0.00 0.02 0.00 0.00 34.50 30.56 3d0w s PRO 70 CO 0.49 -0.63 0.59 1.04 -0.33 0.00 0.00 177.00 178.15 3d0w n GLN 71 N 3.74 2.11 -3.95 5.54 1.13 -1.26 -5.03 117.38 119.66 3d0w n GLN 71 Ca 0.14 -0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 55.09 3d0w n GLN 71 Cb 0.38 -1.19 -0.03 0.00 0.11 0.00 0.00 30.24 29.50 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 -2.46 -0.01 0.46 1.08 2.20 -1.26 -5.05 114.94 109.90 3d0w s ASN 72 Ca 0.05 -0.94 0.12 0.00 -0.94 0.00 0.00 52.86 51.15 3d0w s ASN 72 Cb 0.11 0.66 1.07 0.00 -2.00 0.00 0.00 41.25 41.09 3d0w s ASN 72 CO 0.59 -1.28 2.08 1.23 -2.94 0.00 0.00 177.10 176.78 3d0w h GLY 73 N 2.14 0.33 0.90 0.45 0.00 -1.99 -2.74 103.07 102.16 3d0w h GLY 73 Ca -0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3d0w h GLY 73 CO 0.33 0.11 -0.03 0.83 0.00 0.00 0.00 176.54 177.78 3d0w h GLU 74 N 0.30 -0.08 -1.64 4.80 3.07 -1.96 -0.24 114.58 118.82 3d0w h GLU 74 Ca 0.12 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3d0w h GLU 74 Cb 0.11 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3d0w h GLU 74 CO -0.03 0.04 0.00 0.39 -1.40 0.00 0.00 179.01 178.01 3d0w n GLU 75 N -5.08 0.48 0.00 2.33 1.02 -1.04 -1.49 120.64 116.85 3d0w n GLU 75 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3d0w n GLU 75 Cb 0.10 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 1.00 0.00 -0.19 -4.62 7.94 -0.10 -1.34 117.00 119.69 3d0w n LEU 77 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3d0w n LEU 77 Cb 0.24 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.23 3d0w n LEU 77 CO 0.00 0.00 1.08 -0.07 -1.11 0.00 0.00 177.39 177.29 3d0w h LEU 78 N 0.00 0.56 -1.01 -1.96 3.38 -1.51 0.47 115.31 115.24 3d0w h LEU 78 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3d0w h LEU 78 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3d0w h LEU 78 CO 0.00 0.40 -0.10 1.56 0.09 0.00 0.00 178.44 180.39 3d0w h GLN 79 N 0.68 0.60 -0.27 1.13 1.08 -1.48 -0.31 115.11 116.54 3d0w h GLN 79 Ca 0.22 -0.18 -0.17 0.00 -1.45 0.00 0.00 58.65 57.08 3d0w h GLN 79 Cb 0.00 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3d0w h GLN 79 CO -0.09 0.70 -0.48 0.93 -0.95 0.00 0.00 178.83 178.94 3d0w h GLU 80 N 0.56 0.81 -0.55 1.46 4.39 -1.69 -1.82 114.58 117.74 3d0w h GLU 80 Ca 0.10 -0.51 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 3d0w h GLU 80 Cb 0.51 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3d0w h GLU 80 CO 0.03 1.14 0.24 -0.07 -1.16 0.00 0.00 179.01 179.18 3d0w h LEU 81 N 0.57 0.75 -0.75 1.33 3.38 -0.69 -2.69 115.31 117.21 3d0w h LEU 81 Ca 0.02 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3d0w h LEU 81 Cb 1.09 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3d0w h LEU 81 CO 0.11 0.69 0.49 -0.25 0.09 0.00 0.00 178.44 179.57 3d0w h TRP 82 N 0.75 0.92 0.00 1.13 2.91 -1.00 -2.52 115.95 118.14 3d0w h TRP 82 Ca 0.19 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.23 3d0w h TRP 82 Cb 0.17 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.51 3d0w h TRP 82 CO 0.00 0.56 0.00 0.66 -1.03 0.00 0.00 178.44 178.63 3d0w h SER 83 N 0.98 0.00 -0.15 2.65 4.64 -0.98 -2.68 113.55 118.00 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 -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3d0w h SER 83 CO -0.08 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.21 3d0w n VAL 84 N -2.62 0.63 -3.40 0.95 0.24 -0.97 -5.02 118.33 108.13 3d0w n VAL 84 Ca -0.01 -0.81 -0.38 0.00 -2.04 0.00 0.00 64.34 61.10 3d0w n VAL 84 Cb 0.13 0.74 -0.06 0.00 -1.47 0.00 0.00 33.84 33.19 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 -0.86 3.65 0.90 2.33 0.00 -1.01 -5.09 121.76 121.67 3d0w s ALA 85 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 3d0w s ALA 85 Cb 0.08 -2.49 0.19 0.00 0.00 0.00 0.00 23.12 20.89 3d0w s ALA 85 CO 0.10 0.45 1.23 0.16 0.00 0.00 0.00 175.76 177.70 3d0w s ASP 86 N -1.11 3.39 0.18 0.00 1.47 -1.26 -4.75 116.67 114.59 3d0w s ASP 86 Ca 0.26 0.00 -0.14 0.00 1.18 0.00 0.00 52.55 53.85 3d0w s ASP 86 Cb -0.18 -0.10 0.16 0.00 -0.34 0.00 0.00 42.92 42.45 3d0w s ASP 86 CO 0.16 -2.53 1.70 -0.08 0.68 0.00 0.00 175.17 175.10 3d0w h GLU 87 N -1.33 0.16 -0.67 2.11 4.81 -1.99 -0.26 114.58 117.40 3d0w h GLU 87 Ca -0.41 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 3d0w h GLU 87 Cb 1.24 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 3d0w h GLU 87 CO 0.36 0.11 0.12 -0.44 -0.73 0.00 0.00 179.01 178.43 3d0w h ASP 88 N 0.17 1.06 0.05 1.04 3.32 -2.00 -2.55 116.42 117.50 3d0w h ASP 88 Ca 0.23 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3d0w h ASP 88 Cb 0.31 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3d0w h ASP 88 CO -0.34 1.04 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.71 3d0w h GLU 89 N 1.03 0.26 -0.37 3.56 5.08 -1.76 -2.02 114.58 120.35 3d0w h GLU 89 Ca 0.21 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3d0w h GLU 89 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3d0w h GLU 89 CO 0.01 0.44 0.05 0.87 -1.00 0.00 0.00 179.01 179.39 3d0w h LYS 90 N 0.24 0.62 -0.70 2.33 1.57 -0.67 0.03 116.57 119.99 3d0w h LYS 90 Ca 0.04 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3d0w h LYS 90 Cb 0.47 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3d0w h LYS 90 CO 0.03 0.69 0.22 0.93 -0.57 0.00 0.00 179.45 180.76 3d0w h GLU 91 N 0.46 1.08 -0.15 3.15 5.08 -1.12 -1.53 114.58 121.55 3d0w h GLU 91 Ca 0.11 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 3d0w h GLU 91 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3d0w h GLU 91 CO 0.01 0.93 -0.51 0.45 -1.00 0.00 0.00 179.01 178.88 3d0w h HIS 92 N 1.02 0.51 -0.36 4.33 3.86 -1.24 -1.44 115.15 121.83 3d0w h HIS 92 Ca 0.23 -0.17 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 3d0w h HIS 92 Cb 0.29 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 3d0w h HIS 92 CO 0.02 0.84 -0.15 1.25 0.86 0.00 0.00 177.93 180.76 3d0w h LEU 93 N 0.32 0.75 -0.86 2.43 5.85 -0.79 -0.26 115.31 122.75 3d0w h LEU 93 Ca 0.01 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3d0w h LEU 93 Cb 1.01 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3d0w h LEU 93 CO 0.09 0.97 0.43 0.00 -0.34 0.00 0.00 178.44 179.59 3d0w h ALA 94 N 0.80 1.11 -0.48 1.25 0.00 -1.18 0.37 119.26 121.12 3d0w h ALA 94 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3d0w h ALA 94 Cb 0.68 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3d0w h ALA 94 CO 0.05 0.66 -0.01 1.96 0.00 0.00 0.00 179.25 181.90 3d0w h GLN 95 N 1.22 0.86 -0.75 0.00 4.20 -1.05 -1.84 115.11 117.74 3d0w h GLN 95 Ca 0.30 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3d0w h GLN 95 Cb 0.10 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3d0w h GLN 95 CO -0.04 0.91 0.29 1.25 -0.67 0.00 0.00 178.83 180.56 3d0w h LEU 96 N 0.71 1.05 -1.42 1.46 5.85 -0.69 -2.46 115.31 119.81 3d0w h LEU 96 Ca 0.13 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3d0w h LEU 96 Cb 0.53 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3d0w h LEU 96 CO 0.03 0.95 0.02 0.25 -0.34 0.00 0.00 178.44 179.35 3d0w h LEU 97 N 1.09 0.37 -0.56 2.25 5.85 -0.68 -1.67 115.31 121.97 3d0w h LEU 97 Ca 0.25 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3d0w h LEU 97 Cb 0.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3d0w h LEU 97 CO -0.02 0.42 0.20 0.58 -0.34 0.00 0.00 178.44 179.28 3d0w h VAL 98 N 0.40 1.23 -0.27 1.05 2.07 -0.86 0.43 116.25 120.29 3d0w h VAL 98 Ca 0.09 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 3d0w h VAL 98 Cb 0.23 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3d0w h VAL 98 CO 0.00 0.28 -0.14 0.11 0.02 0.00 0.00 177.57 177.84 3d0w h LYS 99 N 0.77 0.46 -0.15 1.57 1.57 -1.22 0.16 116.57 119.73 3d0w h LYS 99 Ca 0.18 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3d0w h LYS 99 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3d0w h LYS 99 CO -0.01 0.60 0.01 1.25 -0.57 0.00 0.00 179.45 180.72 3d0w h LEU 100 N 0.42 0.26 -1.36 2.94 6.46 -0.75 -2.68 115.31 120.59 3d0w h LEU 100 Ca 0.08 -0.29 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3d0w h LEU 100 Cb 0.50 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 3d0w h LEU 100 CO 0.03 0.48 0.36 0.58 -0.62 0.00 0.00 178.44 179.28 3d0w h VAL 101 N 0.02 1.16 -0.00 1.05 2.07 -0.47 -2.99 116.25 117.09 3d0w h VAL 101 Ca 0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3d0w h VAL 101 Cb 0.35 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3d0w h VAL 101 CO 0.01 0.17 -0.15 0.47 0.02 0.00 0.00 177.57 178.09 3d0w n ASP 102 N -4.42 0.59 0.00 0.57 8.00 0.53 -4.77 116.55 117.05 3d0w n ASP 102 Ca 0.06 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3d0w n ASP 102 Cb 0.07 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.90 0.00 0.00 -1.24 4.81 -1.04 -5.05 118.16 114.74 3d0w n LYS 103 Ca 0.14 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.62 3d0w n LYS 103 Cb 0.30 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.39 3d0w n LYS 103 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61