#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0y s SER 1 N 0.00 3.53 0.24 7.83 1.04 -1.26 -4.79 113.70 120.29 3d0y s SER 1 Ca 0.00 1.49 -0.05 0.00 0.48 0.00 0.00 55.95 57.87 3d0y s SER 1 Cb 0.00 -2.17 0.38 0.00 0.10 0.00 0.00 66.02 64.33 3d0y s SER 1 CO 0.00 -2.60 1.80 -0.33 0.98 0.00 0.00 173.24 173.09 3d0y h GLU 2 N -1.52 0.72 -0.16 4.02 4.39 -2.05 -0.83 114.58 119.15 3d0y h GLU 2 Ca -0.49 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3d0y h GLU 2 Cb 1.28 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 3d0y h GLU 2 CO 0.55 0.48 0.11 1.25 -1.16 0.00 0.00 179.01 180.23 3d0y h LEU 3 N 0.75 0.19 -0.56 1.33 5.85 -1.99 -0.31 115.31 120.57 3d0y h LEU 3 Ca 0.38 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.11 3d0y h LEU 3 Cb 0.36 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3d0y h LEU 3 CO -0.25 0.15 0.34 -0.33 -0.34 0.00 0.00 178.44 178.01 3d0y h GLU 4 N 0.21 0.66 -0.84 1.25 5.08 -1.85 -0.90 114.58 118.19 3d0y h GLU 4 Ca 0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3d0y h GLU 4 Cb -0.01 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3d0y h GLU 4 CO -0.01 0.44 0.41 0.87 -1.00 0.00 0.00 179.01 179.72 3d0y h LYS 5 N 0.68 1.20 -0.49 2.33 1.57 -1.01 -1.42 116.57 119.44 3d0y h LYS 5 Ca 0.22 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3d0y h LYS 5 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3d0y h LYS 5 CO -0.09 0.92 0.23 0.00 -0.57 0.00 0.00 179.45 179.93 3d0y h ALA 6 N 1.26 0.63 -0.70 3.86 0.00 -0.59 0.39 119.26 124.10 3d0y h ALA 6 Ca 0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3d0y h ALA 6 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3d0y h ALA 6 CO -0.04 0.20 0.27 0.52 0.00 0.00 0.00 179.25 180.21 3d0y h MET 7 N 0.64 1.05 -0.73 0.00 2.86 -0.71 -1.33 114.93 116.71 3d0y h MET 7 Ca 0.17 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3d0y h MET 7 Cb 0.14 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3d0y h MET 7 CO -0.02 0.88 0.24 0.28 1.06 0.00 0.00 176.91 179.34 3d0y h VAL 8 N 1.00 1.26 -0.88 -2.22 2.07 -1.05 -2.16 116.25 114.27 3d0y h VAL 8 Ca 0.23 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3d0y h VAL 8 Cb 0.22 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3d0y h VAL 8 CO -0.02 0.35 0.55 0.00 0.02 0.00 0.00 177.57 178.47 3d0y h ALA 9 N 1.17 1.32 -0.40 1.67 0.00 -0.14 0.40 119.26 123.28 3d0y h ALA 9 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3d0y h ALA 9 Cb 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3d0y h ALA 9 CO -0.01 0.60 0.09 -0.07 0.00 0.00 0.00 179.25 179.86 3d0y h LEU 10 N 1.20 0.61 -0.41 0.00 3.38 -0.65 -0.70 115.31 118.75 3d0y h LEU 10 Ca 0.32 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3d0y h LEU 10 Cb -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3d0y h LEU 10 CO -0.06 0.69 -0.08 0.40 0.09 0.00 0.00 178.44 179.48 3d0y h ILE 11 N 0.50 1.27 0.02 1.22 2.04 -0.98 -2.04 117.51 119.54 3d0y h ILE 11 Ca 0.12 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.85 3d0y h ILE 11 Cb 0.33 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3d0y h ILE 11 CO 0.00 0.39 -0.20 -0.78 0.00 0.00 0.00 178.15 177.56 3d0y h ASP 12 N 0.59 -0.59 -0.61 1.72 -0.00 -0.74 -0.80 116.42 115.99 3d0y h ASP 12 Ca 0.11 0.08 -0.05 0.00 -0.00 0.00 0.00 57.03 57.17 3d0y h ASP 12 Cb 0.59 0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 40.14 3d0y h ASP 12 CO 0.04 -0.27 0.19 0.58 -0.00 0.00 0.00 179.24 179.77 3d0y h VAL 13 N -0.34 1.25 0.06 2.25 2.07 -1.07 0.21 116.25 120.67 3d0y h VAL 13 Ca 0.05 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3d0y h VAL 13 Cb 0.40 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3d0y h VAL 13 CO -0.17 0.32 -0.13 0.15 0.02 0.00 0.00 177.57 177.76 3d0y h PHE 14 N 0.87 -0.32 -0.89 1.57 3.57 -1.22 -2.51 116.94 118.01 3d0y h PHE 14 Ca 0.20 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 3d0y h PHE 14 Cb 0.30 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3d0y h PHE 14 CO 0.02 -0.19 0.58 0.45 -2.23 0.00 0.00 178.31 176.94 3d0y h HIS 15 N -0.24 1.09 -0.99 0.41 3.86 -0.80 0.11 115.15 118.58 3d0y h HIS 15 Ca 0.03 0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.42 3d0y h HIS 15 Cb 0.27 -0.36 -0.10 0.00 1.06 0.00 0.00 27.41 28.28 3d0y h HIS 15 CO -0.16 0.65 0.61 1.96 0.86 0.00 0.00 177.93 181.85 3d0y h GLN 16 N 1.14 0.83 0.03 2.45 4.20 -0.17 -2.07 115.11 121.53 3d0y h GLN 16 Ca 0.34 -0.05 -0.36 0.00 0.06 0.00 0.00 58.65 58.65 3d0y h GLN 16 Cb -0.04 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.50 3d0y h GLN 16 CO -0.10 0.55 -2.16 0.66 -0.67 0.00 0.00 178.83 177.11 3d0y n TYR 17 N -4.71 0.54 0.23 2.96 4.02 -1.05 -4.13 117.16 115.02 3d0y n TYR 17 Ca 0.21 0.15 0.10 0.00 -0.01 0.00 0.00 57.90 58.35 3d0y n TYR 17 Cb 0.47 -1.08 0.53 0.00 -0.02 0.00 0.00 39.34 39.23 3d0y n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3d0y h SER 18 N 0.02 0.00 0.10 7.72 4.64 -0.70 -2.96 113.55 122.37 3d0y h SER 18 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3d0y h SER 18 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3d0y h SER 18 CO 0.03 0.22 -0.02 0.61 -0.87 0.00 0.00 176.83 176.79 3d0y n GLY 19 N -0.13 -0.77 0.14 -0.77 0.00 -0.79 -3.85 105.19 99.02 3d0y n GLY 19 Ca -0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 3d0y n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d0y h ARG 20 N 0.67 0.39 -4.23 1.61 3.08 -1.72 -3.46 114.38 110.72 3d0y h ARG 20 Ca 0.00 -0.46 -0.16 0.00 0.07 0.00 0.00 59.98 59.43 3d0y h ARG 20 Cb 0.21 0.14 -0.18 0.00 0.08 0.00 0.00 29.97 30.22 3d0y h ARG 20 CO 0.00 1.13 -0.69 -1.21 -1.07 0.00 0.00 179.97 178.13 3d0y s GLU 21 N -3.07 0.53 2.83 0.04 2.02 -1.26 -5.10 118.70 114.69 3d0y s GLU 21 Ca -0.13 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 53.87 3d0y s GLU 21 Cb 0.03 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.34 3d0y s GLU 21 CO 0.82 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.45 3d0y n GLY 22 N 0.71 2.93 3.61 -1.39 0.00 -1.26 -4.28 105.19 105.51 3d0y n GLY 22 Ca -0.18 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 3d0y n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d0y n ASP 23 N 2.61 2.91 0.00 1.61 -0.08 -1.26 -4.89 116.55 117.45 3d0y n ASP 23 Ca 0.00 0.75 0.12 0.00 -1.51 0.00 0.00 54.79 54.15 3d0y n ASP 23 Cb 0.00 -1.33 0.62 0.00 2.34 0.00 0.00 41.12 42.76 3d0y n ASP 23 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3d0y n LYS 24 N 7.15 0.39 0.00 -0.67 -0.00 -1.26 -2.84 118.16 120.94 3d0y n LYS 24 Ca 0.29 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 3d0y n LYS 24 Cb 0.27 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 3d0y n LYS 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3d0y n HIS 25 N -1.25 0.00 -4.05 5.58 -0.00 -1.25 -3.07 115.22 111.18 3d0y n HIS 25 Ca 0.12 -0.28 -0.09 0.00 -0.00 0.00 0.00 57.72 57.48 3d0y n HIS 25 Cb 0.18 -0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 30.04 3d0y n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3d0y s LYS 26 N -0.56 0.51 -0.35 1.57 1.02 -1.13 -4.40 119.74 116.41 3d0y s LYS 26 Ca 0.00 -0.95 -0.20 0.00 0.02 0.00 0.00 55.97 54.84 3d0y s LYS 26 Cb 0.00 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 3d0y s LYS 26 CO 0.00 -0.06 0.60 -0.51 -0.92 0.00 0.00 175.35 174.46 3d0y s LEU 27 N -2.24 4.27 0.90 3.17 1.43 0.11 -4.55 118.68 121.78 3d0y s LEU 27 Ca -0.03 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 3d0y s LEU 27 Cb -0.01 -2.73 0.15 0.00 0.03 0.00 0.00 46.19 43.63 3d0y s LEU 27 CO -0.05 -0.55 1.26 -1.59 0.23 0.00 0.00 176.35 175.64 3d0y s LYS 28 N 2.62 1.15 0.24 1.70 -2.85 -1.26 -0.52 119.74 120.81 3d0y s LYS 28 Ca 0.23 -0.18 -0.05 0.00 -1.00 0.00 0.00 55.97 54.97 3d0y s LYS 28 Cb -0.15 -1.88 0.43 0.00 -2.06 0.00 0.00 37.83 34.17 3d0y s LYS 28 CO 0.14 -2.11 1.74 0.87 0.10 0.00 0.00 175.35 176.10 3d0y h LYS 29 N -1.42 0.48 -0.63 1.78 1.57 -1.96 0.30 116.57 116.68 3d0y h LYS 29 Ca -0.45 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 3d0y h LYS 29 Cb 1.28 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 3d0y h LYS 29 CO 0.50 0.32 0.11 0.66 -0.57 0.00 0.00 179.45 180.47 3d0y h SER 30 N 0.49 0.96 -0.28 0.86 4.64 -1.98 -0.41 113.55 117.82 3d0y h SER 30 Ca 0.40 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 3d0y h SER 30 Cb 0.56 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3d0y h SER 30 CO -0.36 0.95 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.80 3d0y h GLU 31 N 0.95 0.78 -0.69 4.77 5.08 -1.67 -2.44 114.58 121.36 3d0y h GLU 31 Ca 0.19 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3d0y h GLU 31 Cb 0.39 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3d0y h GLU 31 CO 0.01 1.09 0.44 1.25 -1.00 0.00 0.00 179.01 180.79 3d0y h LEU 32 N 0.53 0.80 -0.42 1.33 5.85 -0.71 -0.93 115.31 121.77 3d0y h LEU 32 Ca 0.03 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3d0y h LEU 32 Cb 1.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3d0y h LEU 32 CO 0.10 0.60 0.14 0.50 -0.34 0.00 0.00 178.44 179.43 3d0y h LYS 33 N 0.93 0.64 -0.24 1.25 3.64 -1.03 -1.74 116.57 120.03 3d0y h LYS 33 Ca 0.25 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 3d0y h LYS 33 Cb -0.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3d0y h LYS 33 CO -0.05 0.63 -0.48 0.93 -2.27 0.00 0.00 179.45 178.21 3d0y h GLU 34 N 0.53 0.62 -0.21 1.90 4.39 -1.35 0.12 114.58 120.59 3d0y h GLU 34 Ca 0.13 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 59.52 3d0y h GLU 34 Cb 0.25 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3d0y h GLU 34 CO -0.01 0.97 -0.03 1.25 -1.16 0.00 0.00 179.01 180.03 3d0y h LEU 35 N 0.50 -0.15 -0.31 1.33 6.46 -0.96 0.62 115.31 122.80 3d0y h LEU 35 Ca 0.03 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 3d0y h LEU 35 Cb 1.02 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 3d0y h LEU 35 CO 0.09 -0.05 0.02 0.40 -0.62 0.00 0.00 178.44 178.29 3d0y h ILE 36 N 0.03 1.25 -0.44 4.05 2.04 -1.15 0.02 117.51 123.31 3d0y h ILE 36 Ca 0.10 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 3d0y h ILE 36 Cb 0.14 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3d0y h ILE 36 CO -0.19 0.29 -0.15 0.78 0.00 0.00 0.00 178.15 178.88 3d0y h ASN 37 N 0.34 0.82 0.42 1.72 -0.26 -0.69 -1.20 115.58 116.71 3d0y h ASN 37 Ca 0.09 -0.27 -0.30 0.00 -0.56 0.00 0.00 56.30 55.26 3d0y h ASN 37 Cb 0.40 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.38 3d0y h ASN 37 CO 0.01 0.97 -1.80 0.59 -1.06 0.00 0.00 177.43 176.15 3d0y n ASN 38 N -4.14 0.90 -0.00 5.81 3.02 0.19 -4.11 115.26 116.92 3d0y n ASN 38 Ca 0.01 0.36 0.03 0.00 -0.03 0.00 0.00 54.58 54.95 3d0y n ASN 38 Cb 0.40 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 3d0y n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3d0y n GLU 39 N -3.05 2.24 -1.17 3.52 -0.58 -0.01 -4.42 120.64 117.16 3d0y n GLU 39 Ca -0.20 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.50 3d0y n GLU 39 Cb 1.06 -1.01 0.13 0.00 -0.57 0.00 0.00 31.44 31.05 3d0y n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3d0y n LEU 40 N -1.48 2.88 0.26 -4.62 4.77 -0.46 -4.81 117.00 113.54 3d0y n LEU 40 Ca -0.00 -3.77 0.17 0.00 -0.03 0.00 0.00 56.01 52.38 3d0y n LEU 40 Cb 0.15 -0.36 0.73 0.00 -2.33 0.00 0.00 43.42 41.61 3d0y n LEU 40 CO 0.14 1.41 1.00 0.77 -1.33 0.00 0.00 177.39 179.38 3d0y h SER 41 N 1.35 0.00 -0.00 -1.43 4.64 -1.71 0.29 113.55 116.69 3d0y h SER 41 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3d0y h SER 41 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3d0y h SER 41 CO 0.19 0.00 -0.58 1.41 -0.87 0.00 0.00 176.83 176.98 3d0y n HIS 42 N -2.94 0.00 -0.02 4.77 8.25 -1.26 -4.51 115.22 119.51 3d0y n HIS 42 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3d0y n HIS 42 Cb 0.25 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 3d0y n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3d0y n PHE 43 N -0.35 0.00 -4.80 4.41 3.01 -0.93 -5.05 117.46 113.76 3d0y n PHE 43 Ca 0.08 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.24 3d0y n PHE 43 Cb 0.44 -0.16 -0.14 0.00 -0.01 0.00 0.00 39.48 39.61 3d0y n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3d0y s LEU 44 N -4.77 2.20 0.42 4.37 1.43 0.05 -5.06 118.68 117.32 3d0y s LEU 44 Ca -0.04 -0.62 -0.27 0.00 -1.03 0.00 0.00 54.13 52.18 3d0y s LEU 44 Cb 0.01 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 44.86 3d0y s LEU 44 CO 0.11 0.24 1.46 -0.62 0.23 0.00 0.00 176.35 177.78 3d0y n GLU 45 N 1.60 2.46 -1.80 1.70 -0.58 -1.26 -4.54 120.64 118.22 3d0y n GLU 45 Ca -0.17 0.87 -0.41 0.00 -0.42 0.00 0.00 57.16 57.02 3d0y n GLU 45 Cb 0.52 -2.65 -0.01 0.00 -0.57 0.00 0.00 31.44 28.72 3d0y n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3d0y s GLU 46 N -2.29 4.13 -0.18 3.49 2.12 -1.26 -4.96 118.70 119.75 3d0y s GLU 46 Ca 0.57 2.56 -0.23 0.00 0.36 0.00 0.00 54.97 58.24 3d0y s GLU 46 Cb -0.46 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 3d0y s GLU 46 CO 0.61 -0.61 0.72 0.42 -0.54 0.00 0.00 175.26 175.86 3d0y s ILE 47 N -0.15 4.97 0.00 -3.70 1.01 -1.26 -4.90 121.20 117.17 3d0y s ILE 47 Ca 0.62 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.65 3d0y s ILE 47 Cb -0.47 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 37.97 3d0y s ILE 47 CO 0.50 0.09 0.46 0.29 0.00 0.00 0.00 174.94 176.28 3d0y n LYS 48 N 5.02 0.44 -4.41 2.79 5.02 -1.26 -5.00 118.16 120.76 3d0y n LYS 48 Ca 0.01 -0.55 -0.20 0.00 -2.02 0.00 0.00 58.31 55.55 3d0y n LYS 48 Cb 0.49 -0.63 -0.15 0.00 -0.02 0.00 0.00 35.03 34.72 3d0y n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3d0y s GLU 49 N -0.18 0.89 0.31 1.97 0.41 -1.26 -5.03 118.70 115.81 3d0y s GLU 49 Ca 0.00 -0.33 0.06 0.00 -0.41 0.00 0.00 54.97 54.28 3d0y s GLU 49 Cb 0.00 -0.84 0.71 0.00 -1.78 0.00 0.00 34.13 32.22 3d0y s GLU 49 CO 0.00 0.17 1.81 0.37 -0.49 0.00 0.00 175.26 177.12 3d0y h GLN 50 N 6.12 0.78 0.00 1.61 5.75 -2.00 -1.95 115.11 125.43 3d0y h GLN 50 Ca -0.32 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.08 3d0y h GLN 50 Cb 1.17 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 3d0y h GLN 50 CO 0.49 0.52 -0.25 1.05 -2.65 0.00 0.00 178.83 177.99 3d0y h GLU 51 N 0.81 0.00 -0.01 1.69 4.11 -1.99 -0.37 114.58 118.83 3d0y h GLU 51 Ca 0.53 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.79 3d0y h GLU 51 Cb 0.77 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 3d0y h GLU 51 CO -0.31 0.25 -0.67 0.28 0.07 0.00 0.00 179.01 178.63 3d0y h VAL 52 N 0.00 1.40 -0.36 -1.06 2.07 -1.78 -2.08 116.25 114.43 3d0y h VAL 52 Ca -0.00 -2.09 -0.11 0.00 0.82 0.00 0.00 66.70 65.32 3d0y h VAL 52 Cb 0.59 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 3d0y h VAL 52 CO 0.03 0.62 -0.22 1.62 0.02 0.00 0.00 177.57 179.64 3d0y h VAL 53 N 0.00 1.27 -0.19 2.57 3.04 -1.26 -1.12 116.25 120.56 3d0y h VAL 53 Ca -0.08 -1.30 0.04 0.00 -1.01 0.00 0.00 66.70 64.35 3d0y h VAL 53 Cb 1.37 1.22 -0.04 0.00 -2.01 0.00 0.00 31.29 31.83 3d0y h VAL 53 CO 0.13 0.43 -0.07 0.44 -1.01 0.00 0.00 177.57 177.49 3d0y h ASP 54 N 0.62 -0.25 -0.42 3.17 3.32 -1.11 -0.83 116.42 120.91 3d0y h ASP 54 Ca 0.09 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3d0y h ASP 54 Cb 0.70 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3d0y h ASP 54 CO 0.05 -0.10 0.11 0.50 -1.72 0.00 0.00 179.24 178.09 3d0y h LYS 55 N -0.04 0.66 -0.40 3.56 3.64 -1.16 0.35 116.57 123.18 3d0y h LYS 55 Ca 0.10 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3d0y h LYS 55 Cb 0.19 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3d0y h LYS 55 CO -0.22 0.67 0.22 0.28 -2.27 0.00 0.00 179.45 178.13 3d0y h VAL 56 N 0.54 1.01 -0.34 2.00 2.07 -1.06 -0.57 116.25 119.90 3d0y h VAL 56 Ca 0.13 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3d0y h VAL 56 Cb 0.29 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3d0y h VAL 56 CO -0.00 0.08 0.15 -0.03 0.02 0.00 0.00 177.57 177.79 3d0y h MET 57 N 0.44 0.49 -0.39 1.57 1.85 -0.92 -1.49 114.93 116.48 3d0y h MET 57 Ca 0.17 -0.08 0.07 0.00 -0.61 0.00 0.00 59.70 59.25 3d0y h MET 57 Cb 0.05 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 31.93 3d0y h MET 57 CO -0.10 0.46 0.02 1.49 -0.40 0.00 0.00 176.91 178.39 3d0y h GLU 58 N 0.41 0.13 -0.33 0.39 4.81 -0.63 0.15 114.58 119.51 3d0y h GLU 58 Ca 0.12 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3d0y h GLU 58 Cb 0.14 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3d0y h GLU 58 CO -0.01 0.08 -0.02 1.15 -0.73 0.00 0.00 179.01 179.49 3d0y h THR 59 N 0.13 0.74 0.00 0.32 2.02 -0.83 -3.18 112.91 112.11 3d0y h THR 59 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3d0y h THR 59 Cb 0.26 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3d0y h THR 59 CO -0.30 0.01 -0.71 0.17 0.37 0.00 0.00 175.52 175.06 3d0y h LEU 60 N 0.07 0.00 -7.29 2.58 8.10 -0.99 -3.42 115.31 114.37 3d0y h LEU 60 Ca 0.16 -0.24 -0.67 0.00 0.11 0.00 0.00 57.88 57.24 3d0y h LEU 60 Cb 0.22 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.38 3d0y h LEU 60 CO -0.28 0.12 2.42 -0.67 -4.11 0.00 0.00 178.44 175.92 3d0y n ASP 61 N -2.10 4.47 0.23 0.17 2.03 0.49 -4.79 116.55 117.05 3d0y n ASP 61 Ca 0.03 -2.88 0.15 0.00 0.52 0.00 0.00 54.79 52.61 3d0y n ASP 61 Cb 0.44 -1.71 0.53 0.00 -0.72 0.00 0.00 41.12 39.67 3d0y n ASP 61 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3d0y h ASN 62 N 7.23 0.00 -0.02 1.67 -0.26 -1.83 -3.04 115.58 119.33 3d0y h ASN 62 Ca 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.21 3d0y h ASN 62 Cb 0.80 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3d0y h ASN 62 CO 1.59 0.00 -0.09 -0.90 -1.06 0.00 0.00 177.43 176.96 3d0y n ASP 63 N -2.89 2.58 -1.84 5.81 5.75 -1.26 -5.01 116.55 119.69 3d0y n ASP 63 Ca 0.02 -1.79 -0.14 0.00 -0.01 0.00 0.00 54.79 52.87 3d0y n ASP 63 Cb 0.35 0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.55 3d0y n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d0y n GLY 64 N 1.22 -0.17 1.15 6.12 0.00 -1.15 -4.94 105.19 107.43 3d0y n GLY 64 Ca 0.11 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3d0y n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d0y n ASP 65 N -0.88 3.40 0.00 1.61 5.75 -1.26 -4.95 116.55 120.22 3d0y n ASP 65 Ca -0.12 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 3d0y n ASP 65 Cb 0.60 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3d0y n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d0y n GLY 66 N 1.51 0.58 3.50 6.12 0.00 -1.26 -4.99 105.19 110.65 3d0y n GLY 66 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3d0y n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d0y s GLU 67 N -0.38 1.71 -0.35 1.61 2.02 -1.26 -4.44 118.70 117.61 3d0y s GLU 67 Ca 0.00 -1.88 -0.08 0.00 0.02 0.00 0.00 54.97 53.03 3d0y s GLU 67 Cb 0.00 -1.46 0.03 0.00 0.10 0.00 0.00 34.13 32.80 3d0y s GLU 67 CO 0.00 0.09 0.14 0.00 0.02 0.00 0.00 175.26 175.50 3d0y s ASP 69 N 1.46 4.03 0.17 0.00 1.47 -1.26 0.07 116.67 122.60 3d0y s ASP 69 Ca -0.00 0.06 -0.14 0.00 1.18 0.00 0.00 52.55 53.64 3d0y s ASP 69 Cb -0.19 -0.39 0.07 0.00 -0.34 0.00 0.00 42.92 42.07 3d0y s ASP 69 CO 0.04 -2.10 1.83 0.15 0.68 0.00 0.00 175.17 175.77 3d0y h PHE 70 N -0.93 0.64 -0.69 2.11 3.57 -1.99 0.48 116.94 120.12 3d0y h PHE 70 Ca -0.41 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.21 3d0y h PHE 70 Cb 1.27 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.72 3d0y h PHE 70 CO -0.40 0.40 0.32 0.37 -2.23 0.00 0.00 178.31 176.76 3d0y h GLN 71 N 0.69 0.51 -0.17 1.11 4.15 -1.98 0.38 115.11 119.81 3d0y h GLN 71 Ca 0.19 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.44 3d0y h GLN 71 Cb -0.07 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3d0y h GLN 71 CO -0.05 0.34 -0.50 0.93 -1.93 0.00 0.00 178.83 177.62 3d0y h GLU 72 N 0.53 0.45 -0.38 1.69 5.08 -1.77 -2.27 114.58 117.91 3d0y h GLU 72 Ca 0.35 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3d0y h GLU 72 Cb 0.42 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3d0y h GLU 72 CO -0.30 0.84 0.08 0.35 -1.00 0.00 0.00 179.01 178.98 3d0y h PHE 73 N 0.35 0.65 -0.93 4.33 3.57 -0.27 -1.46 116.94 123.19 3d0y h PHE 73 Ca 0.02 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.50 3d0y h PHE 73 Cb 1.00 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3d0y h PHE 73 CO 0.03 0.64 0.59 0.52 -2.23 0.00 0.00 178.31 177.87 3d0y h MET 74 N 0.47 1.04 -0.73 1.11 2.86 -0.09 -0.10 114.93 119.48 3d0y h MET 74 Ca 0.12 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3d0y h MET 74 Cb 0.33 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 3d0y h MET 74 CO 0.00 0.69 0.46 0.00 1.06 0.00 0.00 176.91 179.12 3d0y h ALA 75 N 1.43 1.44 -0.36 6.32 0.00 -1.12 -0.46 119.26 126.51 3d0y h ALA 75 Ca 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3d0y h ALA 75 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d0y h ALA 75 CO -0.17 0.50 0.19 0.35 0.00 0.00 0.00 179.25 180.12 3d0y h PHE 76 N 0.99 0.50 -0.60 0.00 3.57 -0.40 -1.38 116.94 119.62 3d0y h PHE 76 Ca 0.26 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3d0y h PHE 76 Cb -0.08 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 3d0y h PHE 76 CO 0.00 0.41 0.37 0.28 -2.23 0.00 0.00 178.31 177.14 3d0y h VAL 77 N 0.45 1.07 -0.76 1.41 2.07 -0.73 -1.58 116.25 118.19 3d0y h VAL 77 Ca 0.13 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3d0y h VAL 77 Cb 0.08 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3d0y h VAL 77 CO -0.02 0.13 0.30 0.00 0.02 0.00 0.00 177.57 178.00 3d0y h ALA 78 N 1.26 0.98 0.34 1.67 0.00 -0.80 -0.35 119.26 122.37 3d0y h ALA 78 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d0y h ALA 78 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3d0y h ALA 78 CO -0.10 0.61 -0.24 0.52 0.00 0.00 0.00 179.25 180.04 3d0y h MET 79 N 1.10 -0.55 -0.55 0.00 2.07 -0.58 -0.83 114.93 115.58 3d0y h MET 79 Ca 0.25 0.04 -0.04 0.00 -2.07 0.00 0.00 59.70 57.88 3d0y h MET 79 Cb 0.22 0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.05 3d0y h MET 79 CO -0.02 -0.36 0.19 0.28 1.07 0.00 0.00 176.91 178.07 3d0y h VAL 80 N -0.57 1.23 -0.16 -2.22 2.07 -1.17 -1.69 116.25 113.75 3d0y h VAL 80 Ca -0.03 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3d0y h VAL 80 Cb 0.49 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3d0y h VAL 80 CO 0.01 0.29 0.10 0.74 0.02 0.00 0.00 177.57 178.72 3d0y h THR 81 N 0.77 1.07 -0.46 2.57 2.02 -0.97 -0.40 112.91 117.51 3d0y h THR 81 Ca 0.18 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3d0y h THR 81 Cb 0.25 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3d0y h THR 81 CO -0.01 0.07 0.15 0.74 0.37 0.00 0.00 175.52 176.84 3d0y h THR 82 N 0.18 0.83 -0.28 3.16 2.02 -1.07 0.35 112.91 118.10 3d0y h THR 82 Ca 0.06 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3d0y h THR 82 Cb 0.03 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3d0y h THR 82 CO -0.01 0.06 0.11 0.00 0.37 0.00 0.00 175.52 176.05 3d0y h ALA 83 N 1.32 0.33 -0.94 6.16 0.00 -0.92 -1.11 119.26 124.09 3d0y h ALA 83 Ca 0.22 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3d0y h ALA 83 Cb 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3d0y h ALA 83 CO -0.24 -0.28 0.60 0.00 0.00 0.00 0.00 179.25 179.33 3d0y h HIS 85 N 1.09 -0.46 -0.41 0.00 6.17 -0.45 -2.68 115.15 118.40 3d0y h HIS 85 Ca 0.41 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.42 3d0y h HIS 85 Cb 0.17 0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.26 3d0y h HIS 85 CO -0.01 -0.27 -0.02 1.49 0.71 0.00 0.00 177.93 179.82 3d0y h GLU 86 N -0.41 0.68 -0.67 5.26 4.22 -0.99 -2.94 114.58 119.73 3d0y h GLU 86 Ca -0.01 -0.18 0.03 0.00 0.08 0.00 0.00 59.36 59.29 3d0y h GLU 86 Cb 0.37 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3d0y h GLU 86 CO -0.02 0.71 0.41 0.35 -2.18 0.00 0.00 179.01 178.28 3d0y h PHE 87 N 0.64 0.77 0.00 0.92 3.57 -0.85 -2.27 116.94 119.71 3d0y h PHE 87 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3d0y h PHE 87 Cb 0.43 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3d0y h PHE 87 CO 0.02 0.43 -0.01 0.74 -2.23 0.00 0.00 178.31 177.25 3d0y h PHE 88 N 0.80 0.00 -0.02 0.41 -1.00 -1.30 -3.51 116.94 112.32 3d0y h PHE 88 Ca 0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.06 3d0y h PHE 88 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3d0y h PHE 88 CO -0.05 0.01 0.00 0.39 -1.61 0.00 0.00 178.31 177.05