#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ido s MET 1 N 0.00 1.06 -0.21 -1.46 -1.94 0.52 -5.02 119.30 112.25 3ido s MET 1 Ca 0.00 -0.44 -0.07 0.00 -1.71 0.00 0.00 55.69 53.47 3ido s MET 1 Cb 0.00 -1.01 -0.03 0.00 2.01 0.00 0.00 34.83 35.80 3ido s MET 1 CO 0.00 0.25 0.05 0.15 -0.01 0.00 0.00 175.02 175.46 3ido s LYS 2 N -0.21 3.76 -0.16 2.03 1.02 -1.26 -0.82 119.74 124.09 3ido s LYS 2 Ca 0.03 -0.44 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 3ido s LYS 2 Cb -0.06 -3.22 -0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3ido s LYS 2 CO -0.00 0.03 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.81 3ido s LEU 3 N 1.01 2.54 -0.15 3.17 1.43 0.60 -1.48 118.68 125.80 3ido s LEU 3 Ca 0.03 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3ido s LEU 3 Cb -0.14 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3ido s LEU 3 CO 0.03 0.08 -0.09 -0.22 0.23 0.00 0.00 176.35 176.37 3ido s LEU 4 N 0.86 2.88 -0.16 1.79 2.96 -0.45 -0.67 118.68 125.89 3ido s LEU 4 Ca -0.04 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3ido s LEU 4 Cb -0.15 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3ido s LEU 4 CO -0.00 0.13 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.78 3ido s PHE 5 N 0.58 3.09 -0.10 5.38 0.08 -0.31 -0.42 117.98 126.28 3ido s PHE 5 Ca -0.06 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.84 3ido s PHE 5 Cb -0.15 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3ido s PHE 5 CO 0.03 0.06 -0.11 0.08 -0.10 0.00 0.00 175.22 175.18 3ido s VAL 6 N 0.25 1.17 0.00 -0.44 1.01 0.12 -1.67 120.40 120.85 3ido s VAL 6 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3ido s VAL 6 Cb -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3ido s VAL 6 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.50 3ido h LEU 8 N 0.00 -0.13 -0.81 0.00 5.85 -1.94 -1.37 115.31 116.91 3ido h LEU 8 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ido h LEU 8 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3ido h LEU 8 CO 0.00 0.40 -0.37 0.61 -0.34 0.00 0.00 178.44 178.74 3ido n GLY 9 N 1.33 -0.08 4.03 3.75 0.00 -1.26 -1.64 105.19 111.32 3ido n GLY 9 Ca -0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3ido n GLY 9 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ido n ASN 10 N -0.23 -2.47 0.00 1.61 4.05 -1.26 -4.69 115.26 112.27 3ido n ASN 10 Ca 0.06 -0.94 0.00 0.00 0.45 0.00 0.00 54.58 54.15 3ido n ASN 10 Cb 0.33 -3.20 0.00 0.00 1.23 0.00 0.00 39.78 38.14 3ido n ASN 10 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3ido n ILE 11 N -4.45 0.00 0.00 -1.44 -5.35 -1.26 -4.03 119.36 102.83 3ido n ILE 11 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 3ido n ILE 11 Cb 0.58 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 3ido n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ido h ARG 13 N 0.00 -0.22 -0.14 0.00 3.08 -1.94 -3.02 114.38 112.14 3ido h ARG 13 Ca 0.00 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3ido h ARG 13 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3ido h ARG 13 CO 0.00 0.15 -0.31 0.66 -1.07 0.00 0.00 179.97 179.39 3ido h SER 14 N -0.95 0.27 -0.38 7.04 4.64 -1.88 0.16 113.55 122.44 3ido h SER 14 Ca -0.02 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 3ido h SER 14 Cb 0.46 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3ido h SER 14 CO 0.04 0.58 0.07 -0.65 -0.87 0.00 0.00 176.83 176.00 3ido h PRO 15 N 0.23 0.70 -0.24 4.77 0.11 -1.87 0.28 132.00 135.99 3ido h PRO 15 Ca 0.03 -0.15 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 3ido h PRO 15 Cb 0.68 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3ido h PRO 15 CO 0.05 0.67 -0.19 0.00 -0.21 0.00 0.00 178.00 178.32 3ido h ALA 16 N 1.41 0.35 -0.28 -0.75 0.00 -1.23 -1.99 119.26 116.77 3ido h ALA 16 Ca 0.15 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ido h ALA 16 Cb 0.31 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3ido h ALA 16 CO 0.00 0.28 -0.34 0.00 0.00 0.00 0.00 179.25 179.19 3ido h ALA 17 N 0.69 -0.31 -0.86 0.00 0.00 -0.47 0.22 119.26 118.54 3ido h ALA 17 Ca 0.05 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.14 3ido h ALA 17 Cb 0.73 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 3ido h ALA 17 CO 0.05 -0.78 0.47 1.49 0.00 0.00 0.00 179.25 180.48 3ido h GLU 18 N -0.33 0.70 -0.07 0.00 4.81 -0.35 0.84 114.58 120.18 3ido h GLU 18 Ca 0.13 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 3ido h GLU 18 Cb 0.55 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.78 3ido h GLU 18 CO -0.46 0.46 -0.67 0.00 -0.73 0.00 0.00 179.01 177.61 3ido h ALA 19 N 1.52 0.18 -0.36 2.92 0.00 -0.57 0.03 119.26 122.97 3ido h ALA 19 Ca 0.45 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ido h ALA 19 Cb 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ido h ALA 19 CO -0.31 0.48 0.16 0.28 0.00 0.00 0.00 179.25 179.86 3ido h VAL 20 N 0.19 1.18 0.10 0.00 2.07 -0.33 -1.82 116.25 117.63 3ido h VAL 20 Ca -0.06 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3ido h VAL 20 Cb 1.33 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3ido h VAL 20 CO 0.14 0.19 -0.05 -0.03 0.02 0.00 0.00 177.57 177.84 3ido h MET 21 N 0.44 -0.13 -1.03 1.57 -1.53 -0.83 -0.39 114.93 113.03 3ido h MET 21 Ca 0.12 0.01 0.26 0.00 -3.44 0.00 0.00 59.70 56.65 3ido h MET 21 Cb 0.15 0.03 -0.10 0.00 -0.55 0.00 0.00 31.60 31.13 3ido h MET 21 CO -0.01 -0.05 0.65 0.87 0.14 0.00 0.00 176.91 178.51 3ido h LYS 22 N -0.17 0.44 0.12 0.39 1.57 -0.87 -0.14 116.57 117.90 3ido h LYS 22 Ca -0.01 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 3ido h LYS 22 Cb 0.14 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.38 3ido h LYS 22 CO 0.02 0.29 -1.04 -0.22 -0.57 0.00 0.00 179.45 177.93 3ido h LYS 23 N 0.45 0.49 -0.52 3.15 1.63 -0.91 -2.35 116.57 118.51 3ido h LYS 23 Ca 0.60 -0.69 0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3ido h LYS 23 Cb 1.41 0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 33.25 3ido h LYS 23 CO -0.33 1.30 0.34 0.28 -3.45 0.00 0.00 179.45 177.59 3ido h VAL 24 N 0.02 1.12 -0.04 2.00 2.07 -0.62 -0.51 116.25 120.30 3ido h VAL 24 Ca -0.16 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3ido h VAL 24 Cb 1.76 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3ido h VAL 24 CO 0.20 0.13 -0.07 0.40 0.02 0.00 0.00 177.57 178.25 3ido h ILE 25 N 0.70 0.82 -0.25 4.57 2.04 -1.07 -2.27 117.51 122.06 3ido h ILE 25 Ca 0.19 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.94 3ido h ILE 25 Cb -0.07 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3ido h ILE 25 CO -0.05 0.00 -0.31 0.06 0.00 0.00 0.00 178.15 177.85 3ido h GLN 26 N -0.09 0.52 -0.51 2.37 3.07 -1.30 -1.35 115.11 117.82 3ido h GLN 26 Ca 0.04 -0.22 0.15 0.00 0.09 0.00 0.00 58.65 58.71 3ido h GLN 26 Cb 0.15 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.67 3ido h GLN 26 CO -0.10 0.77 0.38 -0.91 0.09 0.00 0.00 178.83 179.06 3ido h ASN 27 N 0.44 0.00 -0.54 0.06 4.21 -0.89 -0.01 115.58 118.86 3ido h ASN 27 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3ido h ASN 27 Cb 0.76 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 3ido h ASN 27 CO 0.06 0.00 0.00 1.41 -1.29 0.00 0.00 177.43 177.61 3ido n HIS 28 N -4.29 0.70 -3.71 1.19 8.25 -0.67 -4.95 115.22 111.74 3ido n HIS 28 Ca 0.09 -0.35 -0.27 0.00 -0.26 0.00 0.00 57.72 56.93 3ido n HIS 28 Cb 0.60 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.76 3ido n HIS 28 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ido n HIS 29 N 1.50 -2.51 -0.43 4.41 8.25 -0.02 -4.91 115.22 121.51 3ido n HIS 29 Ca 0.21 0.91 0.06 0.00 -0.26 0.00 0.00 57.72 58.64 3ido n HIS 29 Cb 0.59 -4.40 0.14 0.00 1.12 0.00 0.00 29.99 27.44 3ido n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ido n LEU 30 N -4.75 2.87 -0.31 2.41 4.77 -0.60 -4.80 117.00 116.59 3ido n LEU 30 Ca 0.02 -2.37 0.12 0.00 -0.03 0.00 0.00 56.01 53.75 3ido n LEU 30 Cb 0.54 -0.27 0.29 0.00 -2.33 0.00 0.00 43.42 41.65 3ido n LEU 30 CO 0.69 0.66 1.09 0.74 -1.33 0.00 0.00 177.39 179.24 3ido h THR 31 N 1.27 0.60 -0.03 -5.08 2.02 -1.87 0.14 112.91 109.95 3ido h THR 31 Ca 0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3ido h THR 31 Cb 0.88 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3ido h THR 31 CO 0.05 0.10 -0.27 -0.33 0.37 0.00 0.00 175.52 175.44 3ido h GLU 32 N 0.54 0.05 0.14 6.66 3.07 -1.96 -3.23 114.58 119.84 3ido h GLU 32 Ca 0.54 -0.02 -0.29 0.00 -0.50 0.00 0.00 59.36 59.09 3ido h GLU 32 Cb 0.92 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3ido h GLU 32 CO -0.45 0.32 -1.26 -0.22 -1.40 0.00 0.00 179.01 176.01 3ido h LYS 33 N 0.05 0.49 -5.32 2.33 3.64 -1.11 -3.45 116.57 113.20 3ido h LYS 33 Ca 0.01 -0.71 -0.67 0.00 -1.27 0.00 0.00 60.65 58.02 3ido h LYS 33 Cb 0.51 0.24 -0.29 0.00 -0.41 0.00 0.00 32.23 32.28 3ido h LYS 33 CO 0.04 1.31 -0.81 0.71 -2.27 0.00 0.00 179.45 178.43 3ido s TYR 34 N -2.86 2.72 -0.19 1.91 2.02 -1.02 -0.36 117.35 119.58 3ido s TYR 34 Ca -0.07 -0.81 -0.04 0.00 -0.37 0.00 0.00 57.07 55.78 3ido s TYR 34 Cb 0.06 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3ido s TYR 34 CO 0.91 -0.30 -0.04 0.42 -1.57 0.00 0.00 175.55 174.97 3ido s ILE 35 N 0.36 3.57 0.07 2.71 1.01 -0.00 -4.79 121.20 124.14 3ido s ILE 35 Ca -0.14 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3ido s ILE 35 Cb -0.17 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3ido s ILE 35 CO 0.07 0.45 0.01 0.00 0.00 0.00 0.00 174.94 175.47 3ido s ASP 37 N -2.14 0.04 0.13 0.00 2.15 0.16 -4.95 116.67 112.06 3ido s ASP 37 Ca 0.25 -0.99 0.02 0.00 0.43 0.00 0.00 52.55 52.26 3ido s ASP 37 Cb -0.12 0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 42.91 3ido s ASP 37 CO 0.17 -0.93 -0.03 -0.94 -0.17 0.00 0.00 175.17 173.26 3ido s SER 38 N -3.02 1.17 0.16 -0.34 1.04 -1.26 -1.16 113.70 110.28 3ido s SER 38 Ca 0.22 -1.08 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 3ido s SER 38 Cb 0.03 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.32 3ido s SER 38 CO 0.04 -0.51 0.86 0.00 0.98 0.00 0.00 173.24 174.61 3ido s ALA 39 N -3.64 -1.58 0.20 5.32 0.00 -0.67 -4.80 121.76 116.59 3ido s ALA 39 Ca 0.18 0.21 0.11 0.00 0.00 0.00 0.00 51.96 52.46 3ido s ALA 39 Cb 0.06 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3ido s ALA 39 CO -0.01 -0.95 -0.22 0.20 0.00 0.00 0.00 175.76 174.78 3ido s GLY 40 N -2.84 1.68 0.12 0.00 0.00 -0.47 -2.52 107.32 103.29 3ido s GLY 40 Ca 0.10 -1.66 0.27 0.00 0.00 0.00 0.00 44.72 43.43 3ido s GLY 40 CO -0.00 -1.70 1.82 -1.30 0.00 0.00 0.00 173.10 171.92 3ido n THR 41 N 0.11 0.38 -5.20 0.90 -2.24 -0.52 -0.22 114.28 107.51 3ido n THR 41 Ca -0.11 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 3ido n THR 41 Cb 0.57 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 68.03 3ido n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ido n SER 43 N 2.86 1.09 -0.30 0.00 3.41 -1.26 -4.45 113.62 114.97 3ido n SER 43 Ca -0.17 -1.03 0.12 0.00 -0.26 0.00 0.00 58.87 57.53 3ido n SER 43 Cb 0.52 0.08 0.29 0.00 -0.26 0.00 0.00 64.21 64.83 3ido n SER 43 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3ido h TYR 44 N 1.44 0.56 -0.44 7.33 3.20 -1.94 -1.28 116.97 125.85 3ido h TYR 44 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3ido h TYR 44 Cb 0.49 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3ido h TYR 44 CO 0.00 -0.07 0.00 0.72 -1.64 0.00 0.00 178.16 177.17 3ido n HIS 45 N -5.08 0.58 -1.61 -3.82 8.25 -1.26 -4.99 115.22 107.28 3ido n HIS 45 Ca 0.21 -0.29 -0.49 0.00 -0.26 0.00 0.00 57.72 56.89 3ido n HIS 45 Cb 0.63 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 3ido n HIS 45 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3ido n GLU 46 N 1.09 1.44 0.00 -0.41 2.13 -0.49 -1.43 120.64 122.97 3ido n GLU 46 Ca 0.18 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3ido n GLU 46 Cb 0.49 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.06 3ido n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ido n GLY 47 N 2.47 2.18 3.75 8.31 0.00 0.41 -4.95 105.19 117.36 3ido n GLY 47 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3ido n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ido s GLN 48 N -0.79 4.78 0.85 1.61 -0.21 -0.52 -4.69 119.66 120.69 3ido s GLN 48 Ca 0.00 1.58 -0.12 0.00 0.02 0.00 0.00 55.36 56.85 3ido s GLN 48 Cb 0.00 -3.26 0.11 0.00 1.00 0.00 0.00 33.01 30.86 3ido s GLN 48 CO 0.00 0.39 1.18 -1.14 -2.12 0.00 0.00 175.29 173.60 3ido s GLN 49 N -1.13 1.40 0.56 2.91 0.74 -1.26 -0.62 119.66 122.26 3ido s GLN 49 Ca 0.43 1.65 -0.21 0.00 0.05 0.00 0.00 55.36 57.27 3ido s GLN 49 Cb -0.28 -1.76 -0.05 0.00 1.10 0.00 0.00 33.01 32.03 3ido s GLN 49 CO 0.34 -2.37 1.34 0.00 -0.55 0.00 0.00 175.29 174.06 3ido n ALA 50 N -3.70 1.50 -1.55 1.58 0.00 -1.06 -4.80 120.51 112.48 3ido n ALA 50 Ca 0.13 0.11 -0.56 0.00 0.00 0.00 0.00 53.44 53.12 3ido n ALA 50 Cb 0.51 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 3ido n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ido n ASP 51 N -1.08 0.85 0.08 0.00 2.03 -0.57 -4.77 116.55 113.10 3ido n ASP 51 Ca 0.11 1.14 0.03 0.00 0.52 0.00 0.00 54.79 56.59 3ido n ASP 51 Cb 0.45 -1.05 0.41 0.00 -0.72 0.00 0.00 41.12 40.21 3ido n ASP 51 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3ido h SER 52 N 3.87 0.32 -0.84 1.67 4.64 -1.91 -1.39 113.55 119.92 3ido h SER 52 Ca -0.49 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3ido h SER 52 Cb 1.38 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 3ido h SER 52 CO 0.72 0.36 0.49 0.03 -0.87 0.00 0.00 176.83 177.56 3ido h ARG 53 N 0.34 1.15 -0.11 4.77 3.08 -1.98 -0.12 114.38 121.50 3ido h ARG 53 Ca 0.08 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 3ido h ARG 53 Cb 0.20 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3ido h ARG 53 CO 0.00 0.82 -0.72 1.98 -1.07 0.00 0.00 179.97 180.98 3ido h MET 54 N 1.16 0.54 -0.53 0.04 4.05 -1.71 -1.09 114.93 117.39 3ido h MET 54 Ca 0.30 -0.43 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 3ido h MET 54 Cb -0.02 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 3ido h MET 54 CO -0.05 1.05 0.29 0.00 0.23 0.00 0.00 176.91 178.43 3ido h ARG 55 N 0.37 0.73 0.42 0.39 3.08 -0.96 0.26 114.38 118.68 3ido h ARG 55 Ca -0.03 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3ido h ARG 55 Cb 1.31 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3ido h ARG 55 CO 0.13 0.57 -0.20 0.87 -1.07 0.00 0.00 179.97 180.27 3ido h LYS 56 N 0.71 -0.54 -0.49 0.04 1.79 -0.94 0.35 116.57 117.48 3ido h LYS 56 Ca 0.19 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.73 3ido h LYS 56 Cb 0.04 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 3ido h LYS 56 CO -0.03 -0.24 0.26 0.28 -1.08 0.00 0.00 179.45 178.63 3ido h VAL 57 N -0.82 0.97 -0.42 0.50 2.07 -1.26 0.13 116.25 117.43 3ido h VAL 57 Ca -0.06 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3ido h VAL 57 Cb 0.55 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3ido h VAL 57 CO 0.09 0.09 0.13 1.23 0.02 0.00 0.00 177.57 179.13 3ido h GLY 58 N 0.50 0.53 0.99 2.17 0.00 -0.47 -0.88 103.07 105.91 3ido h GLY 58 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3ido h GLY 58 CO -0.14 0.00 0.33 1.70 0.00 0.00 0.00 176.54 178.43 3ido h LYS 59 N 0.28 0.87 0.00 4.80 1.63 -0.35 0.28 116.57 124.07 3ido h LYS 59 Ca 0.20 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3ido h LYS 59 Cb 0.20 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3ido h LYS 59 CO -0.22 0.67 -0.03 0.66 -3.45 0.00 0.00 179.45 177.08 3ido h SER 60 N 0.84 0.00 -0.00 4.20 4.64 -0.45 -1.91 113.55 120.86 3ido h SER 60 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3ido h SER 60 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3ido h SER 60 CO -0.03 0.03 -0.12 0.54 -0.87 0.00 0.00 176.83 176.37 3ido n ARG 61 N -3.17 1.83 0.00 4.77 5.12 -0.38 -4.95 116.66 119.87 3ido n ARG 61 Ca -0.01 -1.41 0.00 0.00 -1.93 0.00 0.00 57.85 54.50 3ido n ARG 61 Cb 0.24 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 3ido n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ido n GLY 62 N 1.33 1.20 3.38 -0.13 0.00 -0.72 -5.06 105.19 105.18 3ido n GLY 62 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3ido n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ido s TYR 63 N -2.00 2.41 -0.49 1.61 2.02 0.90 -4.98 117.35 116.82 3ido s TYR 63 Ca 0.00 -0.36 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 3ido s TYR 63 Cb 0.00 -1.44 0.12 0.00 -0.40 0.00 0.00 41.96 40.23 3ido s TYR 63 CO 0.00 0.14 0.39 -1.14 -1.57 0.00 0.00 175.55 173.37 3ido s GLN 64 N -1.17 2.68 -0.50 -0.62 2.00 -1.26 -2.09 119.66 118.70 3ido s GLN 64 Ca 0.12 -1.70 -0.19 0.00 -2.00 0.00 0.00 55.36 51.60 3ido s GLN 64 Cb -0.10 -4.05 0.06 0.00 0.80 0.00 0.00 33.01 29.72 3ido s GLN 64 CO 0.02 -1.21 0.59 0.08 -0.50 0.00 0.00 175.29 174.27 3ido s VAL 65 N 1.46 4.93 -0.04 1.34 1.01 -1.26 -4.79 120.40 123.05 3ido s VAL 65 Ca 0.05 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3ido s VAL 65 Cb -0.27 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 31.93 3ido s VAL 65 CO 0.01 -0.76 0.98 -0.90 0.00 0.00 0.00 175.10 174.43 3ido n ASP 66 N 6.01 0.82 -4.82 3.32 5.68 -1.26 -4.80 116.55 121.50 3ido n ASP 66 Ca -0.07 -2.19 -0.31 0.00 -0.50 0.00 0.00 54.79 51.71 3ido n ASP 66 Cb 0.45 -0.23 0.04 0.00 -1.14 0.00 0.00 41.12 40.24 3ido n ASP 66 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ido s SER 67 N -1.42 5.49 -0.18 -1.12 1.04 -1.26 -4.90 113.70 111.35 3ido s SER 67 Ca 0.09 1.63 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 3ido s SER 67 Cb 0.08 -2.50 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 3ido s SER 67 CO 0.01 -1.37 -0.11 -0.63 0.98 0.00 0.00 173.24 172.12 3ido s ILE 68 N -2.96 2.90 0.20 -1.02 1.01 -1.26 -2.56 121.20 117.50 3ido s ILE 68 Ca 0.59 -0.67 -0.32 0.00 0.00 0.00 0.00 60.65 60.24 3ido s ILE 68 Cb -0.14 -2.26 -0.15 0.00 0.01 0.00 0.00 42.46 39.92 3ido s ILE 68 CO 0.52 0.48 1.29 -0.24 0.00 0.00 0.00 174.94 176.99 3ido n SER 69 N 4.40 2.02 -3.78 3.58 2.88 0.21 -4.76 113.62 118.18 3ido n SER 69 Ca -0.19 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.36 3ido n SER 69 Cb 0.51 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.57 3ido n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ido s ARG 70 N -0.30 0.66 0.34 -1.46 1.04 -1.26 -0.44 118.95 117.52 3ido s ARG 70 Ca 0.72 -0.26 -0.12 0.00 -1.04 0.00 0.00 55.73 55.02 3ido s ARG 70 Cb -0.76 0.29 -0.08 0.00 -2.04 0.00 0.00 34.95 32.36 3ido s ARG 70 CO 0.50 -0.18 0.72 -1.25 -0.04 0.00 0.00 175.30 175.05 3ido s PRO 71 N -1.48 3.87 0.21 3.89 0.04 -1.26 -1.37 135.00 138.91 3ido s PRO 71 Ca -0.13 0.51 -0.32 0.00 0.04 0.00 0.00 61.00 61.10 3ido s PRO 71 Cb -0.05 -2.45 -0.13 0.00 0.04 0.00 0.00 34.50 31.91 3ido s PRO 71 CO 0.03 0.10 1.54 0.28 0.04 0.00 0.00 177.00 178.99 3ido n VAL 72 N -0.73 0.48 -4.45 -0.36 0.31 0.70 -4.74 118.33 109.54 3ido n VAL 72 Ca 0.02 -0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 64.00 3ido n VAL 72 Cb 0.53 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 31.73 3ido n VAL 72 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3ido s VAL 73 N 0.47 2.41 0.26 2.52 -7.23 -1.26 -4.99 120.40 112.57 3ido s VAL 73 Ca 0.72 -2.35 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 3ido s VAL 73 Cb -0.62 -2.26 0.41 0.00 0.56 0.00 0.00 36.38 34.47 3ido s VAL 73 CO 0.43 -0.38 1.45 -1.20 -0.31 0.00 0.00 175.10 175.09 3ido n SER 74 N -0.49 -0.36 0.00 4.85 7.64 -1.26 -0.22 113.62 123.78 3ido n SER 74 Ca -0.06 1.61 0.01 0.00 1.01 0.00 0.00 58.87 61.43 3ido n SER 74 Cb 0.60 -0.47 0.04 0.00 -1.01 0.00 0.00 64.21 63.36 3ido n SER 74 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ido n SER 75 N -5.50 0.00 0.01 6.43 3.41 -1.26 -1.34 113.62 115.36 3ido n SER 75 Ca 0.14 0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.80 3ido n SER 75 Cb 0.46 -0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 3ido n SER 75 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ido h ASP 76 N 0.00 0.33 -0.11 4.04 3.32 -1.00 -1.64 116.42 121.36 3ido h ASP 76 Ca 0.00 -0.93 0.03 0.00 0.02 0.00 0.00 57.03 56.15 3ido h ASP 76 Cb 0.01 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3ido h ASP 76 CO 0.00 1.34 0.11 -0.26 -1.72 0.00 0.00 179.24 178.70 3ido h PHE 77 N -0.53 0.00 0.06 4.55 0.04 -1.32 -1.25 116.94 118.48 3ido h PHE 77 Ca -0.14 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.26 3ido h PHE 77 Cb 1.50 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.60 3ido h PHE 77 CO 0.20 0.00 -2.16 1.17 -0.60 0.00 0.00 178.31 176.93 3ido n LYS 78 N -3.97 0.69 0.14 1.51 4.81 -1.22 -4.61 118.16 115.50 3ido n LYS 78 Ca -0.00 0.25 0.12 0.00 -0.87 0.00 0.00 58.31 57.81 3ido n LYS 78 Cb 0.22 -1.62 0.17 0.00 0.02 0.00 0.00 35.03 33.81 3ido n LYS 78 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3ido h ASN 79 N -0.16 0.00 -3.00 3.14 4.21 -1.08 -3.45 115.58 115.25 3ido h ASN 79 Ca -0.50 -0.04 -0.61 0.00 1.21 0.00 0.00 56.30 56.36 3ido h ASN 79 Cb 1.88 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 39.02 3ido h ASN 79 CO -0.05 0.02 -0.28 -0.36 -1.29 0.00 0.00 177.43 175.47 3ido s PHE 80 N -3.22 3.63 0.02 1.19 0.08 -0.49 -4.84 117.98 114.35 3ido s PHE 80 Ca 0.06 0.80 -0.18 0.00 0.12 0.00 0.00 56.93 57.73 3ido s PHE 80 Cb 0.09 -2.16 -0.27 0.00 -0.57 0.00 0.00 43.02 40.12 3ido s PHE 80 CO 0.70 0.60 1.07 -0.44 -0.10 0.00 0.00 175.22 177.05 3ido h ASP 81 N 4.20 0.68 -4.62 1.36 3.32 -1.57 -3.47 116.42 116.32 3ido h ASP 81 Ca -0.51 -0.81 -0.24 0.00 0.02 0.00 0.00 57.03 55.49 3ido h ASP 81 Cb 1.21 -0.21 -0.23 0.00 0.22 0.00 0.00 39.33 40.32 3ido h ASP 81 CO 0.64 1.42 -0.72 -0.31 -1.72 0.00 0.00 179.24 178.54 3ido s TYR 82 N -3.01 0.43 -0.07 4.55 2.02 -0.74 -4.72 117.35 115.81 3ido s TYR 82 Ca -0.12 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 3ido s TYR 82 Cb 0.04 -0.27 0.02 0.00 -0.40 0.00 0.00 41.96 41.35 3ido s TYR 82 CO 0.87 -0.10 -0.05 0.42 -1.57 0.00 0.00 175.55 175.12 3ido s ILE 83 N -1.10 0.64 -0.18 2.71 1.01 0.29 -1.34 121.20 123.23 3ido s ILE 83 Ca -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 3ido s ILE 83 Cb -0.08 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3ido s ILE 83 CO -0.00 0.27 -0.16 -0.36 0.00 0.00 0.00 174.94 174.70 3ido s PHE 84 N 1.31 2.82 -0.01 3.97 0.08 0.43 -0.39 117.98 126.20 3ido s PHE 84 Ca -0.04 -1.38 -0.18 0.00 0.12 0.00 0.00 56.93 55.45 3ido s PHE 84 Cb -0.14 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3ido s PHE 84 CO -0.02 -0.69 0.50 0.00 -0.10 0.00 0.00 175.22 174.90 3ido s ALA 85 N 1.25 3.58 0.13 5.36 0.00 -0.37 0.11 121.76 131.82 3ido s ALA 85 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 3ido s ALA 85 Cb -0.14 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 3ido s ALA 85 CO -0.08 0.28 1.31 0.52 0.00 0.00 0.00 175.76 177.78 3ido h MET 86 N 5.36 0.42 -4.84 0.00 2.86 -1.62 -0.41 114.93 116.71 3ido h MET 86 Ca -0.47 -0.45 -0.42 0.00 -2.06 0.00 0.00 59.70 56.30 3ido h MET 86 Cb 1.20 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 32.85 3ido h MET 86 CO 0.67 1.11 -0.52 0.16 1.06 0.00 0.00 176.91 179.38 3ido s ASP 87 N -7.08 1.35 0.26 1.22 1.47 -1.26 0.28 116.67 112.91 3ido s ASP 87 Ca -0.06 -1.67 -0.02 0.00 1.18 0.00 0.00 52.55 51.98 3ido s ASP 87 Cb 0.09 0.51 0.34 0.00 -0.34 0.00 0.00 42.92 43.52 3ido s ASP 87 CO 0.87 -1.00 1.80 0.78 0.68 0.00 0.00 175.17 178.29 3ido h ASN 88 N 2.24 0.82 -0.43 2.11 2.35 -1.91 -1.64 115.58 119.13 3ido h ASN 88 Ca -0.28 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.36 3ido h ASN 88 Cb 1.24 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 3ido h ASN 88 CO 0.41 0.81 0.18 0.44 -1.65 0.00 0.00 177.43 177.63 3ido h ASP 89 N 0.84 0.24 -0.82 5.81 3.32 -1.99 -0.20 116.42 123.61 3ido h ASP 89 Ca 0.18 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3ido h ASP 89 Cb 0.33 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3ido h ASP 89 CO 0.00 0.18 0.54 0.78 -1.72 0.00 0.00 179.24 179.01 3ido h ASN 90 N 0.38 0.91 0.79 6.45 -0.26 -1.77 -1.15 115.58 120.93 3ido h ASN 90 Ca 0.19 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 3ido h ASN 90 Cb 0.14 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.19 3ido h ASN 90 CO -0.16 0.64 -0.38 0.22 -1.06 0.00 0.00 177.43 176.69 3ido h TYR 91 N 1.07 -0.99 -0.24 1.19 3.20 -0.54 -1.32 116.97 119.35 3ido h TYR 91 Ca 0.31 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 3ido h TYR 91 Cb -0.06 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3ido h TYR 91 CO -0.02 -0.61 -0.26 1.88 -1.64 0.00 0.00 178.16 177.51 3ido h TYR 92 N -1.09 0.51 -0.53 -3.82 0.05 -1.03 -1.50 116.97 109.55 3ido h TYR 92 Ca -0.11 -0.11 0.07 0.00 0.05 0.00 0.00 58.73 58.63 3ido h TYR 92 Cb 0.82 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.38 3ido h TYR 92 CO -0.01 0.67 0.20 1.49 -1.05 0.00 0.00 178.16 179.46 3ido h GLU 93 N 0.40 0.38 -0.51 4.88 4.57 -1.15 0.45 114.58 123.61 3ido h GLU 93 Ca 0.06 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 3ido h GLU 93 Cb 0.67 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3ido h GLU 93 CO 0.05 0.25 -0.11 -0.07 -1.18 0.00 0.00 179.01 177.95 3ido h LEU 94 N 0.40 0.94 0.13 1.64 3.38 -0.83 -2.91 115.31 118.06 3ido h LEU 94 Ca 0.25 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3ido h LEU 94 Cb 0.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ido h LEU 94 CO -0.24 1.06 -0.06 -0.07 0.09 0.00 0.00 178.44 179.21 3ido h LEU 95 N 0.84 -0.14 -2.19 1.67 3.38 -0.63 -1.48 115.31 116.75 3ido h LEU 95 Ca 0.13 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3ido h LEU 95 Cb 0.65 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ido h LEU 95 CO 0.05 -0.02 0.25 0.44 0.09 0.00 0.00 178.44 179.24 3ido h ASP 96 N -0.25 0.00 0.26 -0.43 3.32 -0.83 0.13 116.42 118.62 3ido h ASP 96 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ido h ASP 96 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3ido h ASP 96 CO 0.03 0.00 -1.10 0.54 -1.72 0.00 0.00 179.24 176.99 3ido n ARG 97 N -3.68 0.23 -2.79 3.56 1.74 -0.99 -4.97 116.66 109.77 3ido n ARG 97 Ca 0.02 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3ido n ARG 97 Cb 0.38 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 3ido n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ido n PRO 99 N 4.51 2.11 -0.44 0.00 -0.02 -1.26 -4.83 135.00 135.07 3ido n PRO 99 Ca 0.06 0.76 0.39 0.00 -2.02 0.00 0.00 63.50 62.69 3ido n PRO 99 Cb 0.50 -2.54 0.73 0.00 -0.02 0.00 0.00 33.50 32.17 3ido n PRO 99 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ido h GLU 100 N 6.35 0.05 0.00 -0.52 3.07 -1.94 0.39 114.58 121.98 3ido h GLU 100 Ca -0.46 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3ido h GLU 100 Cb 1.26 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3ido h GLU 100 CO 0.89 0.04 0.00 -0.56 -1.40 0.00 0.00 179.01 177.98 3ido h GLN 101 N 0.06 0.00 -0.01 2.33 3.07 -2.01 -2.95 115.11 115.60 3ido h GLN 101 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.44 3ido h GLN 101 Cb 2.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.17 3ido h GLN 101 CO -0.10 0.00 -0.09 0.66 0.09 0.00 0.00 178.83 179.39 3ido n TYR 102 N -2.47 0.00 0.30 0.06 4.01 0.14 -4.72 117.16 114.48 3ido n TYR 102 Ca 0.01 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.92 3ido n TYR 102 Cb 0.21 0.00 0.99 0.00 -0.31 0.00 0.00 39.34 40.22 3ido n TYR 102 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3ido h LYS 103 N 1.52 0.00 0.00 -0.72 1.57 -1.42 -0.64 116.57 116.88 3ido h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ido h LYS 103 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3ido h LYS 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3ido n GLN 104 N -3.66 0.17 0.07 3.15 0.00 -1.26 -2.92 117.38 112.93 3ido n GLN 104 Ca -0.03 0.11 0.13 0.00 0.00 0.00 0.00 57.00 57.22 3ido n GLN 104 Cb 0.09 -1.50 0.47 0.00 0.00 0.00 0.00 30.24 29.30 3ido n GLN 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3ido n LYS 105 N -1.38 0.18 -3.84 2.61 5.02 -0.25 -4.88 118.16 115.63 3ido n LYS 105 Ca 0.08 0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 56.16 3ido n LYS 105 Cb 0.20 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.41 3ido n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ido s ILE 106 N -3.07 5.04 0.12 -0.18 1.01 -1.15 -0.54 121.20 122.43 3ido s ILE 106 Ca 0.12 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.87 3ido s ILE 106 Cb 0.14 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3ido s ILE 106 CO 0.58 0.42 -0.10 -0.36 0.00 0.00 0.00 174.94 175.47 3ido s PHE 107 N 0.64 1.18 0.05 3.97 0.08 0.48 -4.97 117.98 119.42 3ido s PHE 107 Ca 0.06 -0.71 -0.29 0.00 0.12 0.00 0.00 56.93 56.11 3ido s PHE 107 Cb -0.13 -0.62 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 3ido s PHE 107 CO 0.01 0.04 0.91 0.15 -0.10 0.00 0.00 175.22 176.24 3ido s LYS 108 N -3.29 4.60 0.20 0.44 1.02 -1.26 -1.23 119.74 120.22 3ido s LYS 108 Ca 0.11 1.33 -0.11 0.00 0.02 0.00 0.00 55.97 57.32 3ido s LYS 108 Cb -0.00 -3.40 0.24 0.00 -0.52 0.00 0.00 37.83 34.14 3ido s LYS 108 CO 0.00 0.14 1.72 1.98 -0.92 0.00 0.00 175.35 178.27 3ido h MET 109 N 6.04 0.28 0.00 1.68 1.85 -1.37 -2.32 114.93 121.08 3ido h MET 109 Ca -0.42 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 3ido h MET 109 Cb 1.21 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.18 3ido h MET 109 CO 0.73 0.18 0.00 1.33 -0.40 0.00 0.00 176.91 178.75 3ido n VAL 110 N -5.08 0.96 1.16 -5.77 0.24 -1.26 -1.81 118.33 106.77 3ido n VAL 110 Ca 0.07 0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.71 3ido n VAL 110 Cb 0.27 -1.12 0.45 0.00 -1.47 0.00 0.00 33.84 31.97 3ido n VAL 110 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3ido n ASP 111 N -1.87 0.00 -0.31 -1.34 8.00 -0.87 -1.56 116.55 118.59 3ido n ASP 111 Ca 0.03 -0.69 0.04 0.00 0.71 0.00 0.00 54.79 54.88 3ido n ASP 111 Cb 0.19 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3ido n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ido n PHE 112 N -0.91 0.00 -1.95 1.24 3.72 -0.75 -5.01 117.46 113.80 3ido n PHE 112 Ca 0.11 -0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 3ido n PHE 112 Cb 0.05 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3ido n PHE 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ido n THR 114 N 0.13 0.00 0.00 0.00 -2.24 -1.26 -4.93 114.28 105.98 3ido n THR 114 Ca 0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3ido n THR 114 Cb 0.42 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3ido n THR 114 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ido n THR 115 N -0.91 0.00 -2.55 4.28 -2.24 -1.26 -5.01 114.28 106.59 3ido n THR 115 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 3ido n THR 115 Cb 0.00 -1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 66.96 3ido n THR 115 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ido s ILE 116 N -1.99 4.49 -0.46 2.28 1.01 -1.26 -4.99 121.20 120.27 3ido s ILE 116 Ca 0.00 1.79 -0.23 0.00 0.00 0.00 0.00 60.65 62.21 3ido s ILE 116 Cb 0.00 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.35 3ido s ILE 116 CO 0.00 -0.06 0.77 -0.54 0.00 0.00 0.00 174.94 175.11 3ido s LYS 117 N 2.58 3.37 -0.06 2.79 1.02 -1.26 -4.89 119.74 123.29 3ido s LYS 117 Ca 0.51 -0.18 -0.20 0.00 0.02 0.00 0.00 55.97 56.12 3ido s LYS 117 Cb -0.21 -3.95 0.04 0.00 -0.52 0.00 0.00 37.83 33.19 3ido s LYS 117 CO 0.17 -1.13 0.46 -0.08 -0.92 0.00 0.00 175.35 173.85 3ido s THR 118 N 3.24 0.03 -0.76 2.17 -1.32 -1.26 -5.04 115.64 112.69 3ido s THR 118 Ca 0.28 -0.23 0.24 0.00 -1.21 0.00 0.00 61.69 60.77 3ido s THR 118 Cb -0.13 -0.75 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 3ido s THR 118 CO 0.22 -0.13 1.31 0.35 -2.21 0.00 0.00 174.62 174.16 3ido n THR 119 N 1.47 0.20 -3.90 5.08 -2.24 -1.26 -4.96 114.28 108.67 3ido n THR 119 Ca -0.19 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3ido n THR 119 Cb 0.56 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3ido n THR 119 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ido s GLU 120 N -3.11 1.80 -0.51 -0.78 -1.05 -1.26 -4.71 118.70 109.08 3ido s GLU 120 Ca 0.07 -1.16 -0.22 0.00 -0.15 0.00 0.00 54.97 53.51 3ido s GLU 120 Cb 0.15 0.57 0.04 0.00 -0.44 0.00 0.00 34.13 34.45 3ido s GLU 120 CO 0.73 -0.81 0.80 0.08 0.95 0.00 0.00 175.26 177.01 3ido s VAL 121 N -3.66 4.61 0.41 1.83 1.01 0.14 -4.96 120.40 119.77 3ido s VAL 121 Ca 0.16 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 3ido s VAL 121 Cb -0.04 -4.40 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 3ido s VAL 121 CO 0.09 -0.91 1.26 -2.84 0.00 0.00 0.00 175.10 172.70 3ido s PRO 122 N 3.37 3.98 -0.19 2.72 0.02 -1.26 -4.54 135.00 139.09 3ido s PRO 122 Ca 0.26 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 63.04 3ido s PRO 122 Cb -0.14 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 3ido s PRO 122 CO 0.18 -0.45 1.56 0.34 -0.33 0.00 0.00 177.00 178.30 3ido s ASP 123 N -0.86 6.51 0.00 2.53 -1.08 -1.26 -4.85 116.67 117.66 3ido s ASP 123 Ca 0.57 1.69 0.26 0.00 -0.52 0.00 0.00 52.55 54.55 3ido s ASP 123 Cb -0.36 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.28 3ido s ASP 123 CO 0.46 -1.14 1.54 -0.81 0.52 0.00 0.00 175.17 175.74 3ido n PRO 124 N 7.44 0.42 -0.25 4.34 -0.04 -1.26 -4.69 135.00 140.96 3ido n PRO 124 Ca 0.18 -0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 3ido n PRO 124 Cb 0.45 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.57 3ido n PRO 124 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3ido h TYR 125 N 0.57 -0.04 -0.00 0.54 3.20 -1.95 -1.40 116.97 117.88 3ido h TYR 125 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3ido h TYR 125 Cb 0.49 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3ido h TYR 125 CO 0.00 -0.23 -0.45 0.66 -1.64 0.00 0.00 178.16 176.50 3ido n TYR 126 N -5.33 0.00 -2.31 -3.82 4.01 -1.26 -4.95 117.16 103.49 3ido n TYR 126 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3ido n TYR 126 Cb 0.46 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3ido n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ido n GLY 127 N 1.44 2.57 3.24 2.72 0.00 -0.53 -5.12 105.19 109.50 3ido n GLY 127 Ca 0.08 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 3ido n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ido n GLY 128 N 5.00 0.51 0.27 -0.02 0.00 -1.26 -4.96 105.19 104.73 3ido n GLY 128 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 44.05 3ido n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ido h GLU 129 N 0.00 0.58 -0.92 1.61 4.81 -2.00 -2.29 114.58 116.36 3ido h GLU 129 Ca -0.28 -0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.17 3ido h GLU 129 Cb 1.02 -0.13 -0.14 0.00 0.63 0.00 0.00 28.75 30.13 3ido h GLU 129 CO 0.29 0.38 0.37 0.87 -0.73 0.00 0.00 179.01 180.20 3ido h LYS 130 N 0.59 0.30 -0.61 1.92 1.57 -2.00 0.64 116.57 118.97 3ido h LYS 130 Ca 0.37 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3ido h LYS 130 Cb 0.42 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3ido h LYS 130 CO -0.29 0.20 0.38 0.78 -0.57 0.00 0.00 179.45 179.94 3ido h GLY 131 N 0.30 0.88 1.27 3.86 0.00 -1.78 -1.50 103.07 106.10 3ido h GLY 131 Ca 0.60 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 47.44 3ido h GLY 131 CO -0.60 0.34 -0.39 0.74 0.00 0.00 0.00 176.54 176.62 3ido h PHE 132 N 0.84 0.95 -0.33 5.60 0.04 -0.94 -2.66 116.94 120.44 3ido h PHE 132 Ca 0.22 -0.28 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 3ido h PHE 132 Cb -0.05 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 3ido h PHE 132 CO 0.00 1.06 -0.18 0.45 -0.60 0.00 0.00 178.31 179.04 3ido h HIS 133 N 0.65 0.67 -0.76 -0.55 3.86 -1.09 -2.50 115.15 115.43 3ido h HIS 133 Ca 0.05 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3ido h HIS 133 Cb 0.95 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.21 3ido h HIS 133 CO 0.05 0.74 0.50 -0.09 0.86 0.00 0.00 177.93 180.00 3ido h ARG 134 N 0.54 0.98 -0.36 2.45 9.65 -1.21 0.20 114.38 126.64 3ido h ARG 134 Ca 0.09 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 3ido h ARG 134 Cb 0.61 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 3ido h ARG 134 CO 0.04 0.65 0.17 0.28 2.80 0.00 0.00 179.97 183.91 3ido h VAL 135 N 1.01 0.97 -0.26 0.20 2.07 -1.17 -1.11 116.25 117.96 3ido h VAL 135 Ca 0.29 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3ido h VAL 135 Cb -0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3ido h VAL 135 CO -0.07 0.06 -0.04 0.40 0.02 0.00 0.00 177.57 177.94 3ido h ILE 136 N 0.35 1.28 -0.63 4.57 1.08 -0.97 -2.03 117.51 121.15 3ido h ILE 136 Ca 0.15 -1.03 0.11 0.00 -0.39 0.00 0.00 64.86 63.70 3ido h ILE 136 Cb 0.08 1.42 -0.12 0.00 -3.07 0.00 0.00 36.82 35.13 3ido h ILE 136 CO -0.12 0.32 -0.34 0.44 -0.69 0.00 0.00 178.15 177.77 3ido h ASP 137 N 0.25 -1.18 -0.34 1.72 3.32 -0.43 0.10 116.42 119.86 3ido h ASP 137 Ca 0.07 0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 3ido h ASP 137 Cb 0.50 0.59 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3ido h ASP 137 CO 0.02 -0.30 -0.01 0.40 -1.72 0.00 0.00 179.24 177.63 3ido h ILE 138 N -0.14 1.23 0.00 0.35 2.04 -1.03 -2.71 117.51 117.24 3ido h ILE 138 Ca 0.24 -0.95 -0.19 0.00 1.00 0.00 0.00 64.86 64.96 3ido h ILE 138 Cb 0.55 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3ido h ILE 138 CO -0.71 0.33 -0.92 -0.07 0.00 0.00 0.00 178.15 176.78 3ido h LEU 139 N 0.66 0.01 -0.51 1.44 3.38 -0.54 -0.75 115.31 119.01 3ido h LEU 139 Ca 0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3ido h LEU 139 Cb 0.42 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3ido h LEU 139 CO 0.02 0.93 0.01 -0.33 0.09 0.00 0.00 178.44 179.16 3ido h GLU 140 N 0.00 0.89 0.82 1.13 5.08 -0.68 0.21 114.58 122.04 3ido h GLU 140 Ca -0.01 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3ido h GLU 140 Cb 1.63 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.80 3ido h GLU 140 CO 0.12 0.91 -0.40 0.22 -1.00 0.00 0.00 179.01 178.87 3ido h ASP 141 N 0.76 -0.94 -0.15 1.42 3.58 -1.36 -2.95 116.42 116.78 3ido h ASP 141 Ca 0.15 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 3ido h ASP 141 Cb 0.50 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 3ido h ASP 141 CO 0.02 -0.62 0.09 0.00 -2.88 0.00 0.00 179.24 175.85 3ido h ALA 142 N -1.40 0.19 -0.84 -0.78 0.00 -1.11 -2.98 119.26 112.35 3ido h ALA 142 Ca -0.11 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ido h ALA 142 Cb 0.85 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3ido h ALA 142 CO 0.19 -0.28 0.54 0.00 0.00 0.00 0.00 179.25 179.69 3ido h GLU 144 N 1.04 0.30 -0.32 0.00 4.39 -1.37 -1.97 114.58 116.64 3ido h GLU 144 Ca 0.34 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.95 3ido h GLU 144 Cb 0.02 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3ido h GLU 144 CO -0.12 0.20 -0.09 -0.97 -1.16 0.00 0.00 179.01 176.87 3ido h ASN 145 N 0.31 0.51 -0.50 1.42 -1.24 -1.37 -3.19 115.58 111.53 3ido h ASN 145 Ca 0.11 -0.12 -0.09 0.00 0.71 0.00 0.00 56.30 56.91 3ido h ASN 145 Cb 0.02 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3ido h ASN 145 CO -0.07 0.64 -0.01 0.25 -1.29 0.00 0.00 177.43 176.95 3ido h LEU 146 N 0.50 0.92 -0.77 0.34 5.85 -0.22 -2.08 115.31 119.84 3ido h LEU 146 Ca 0.10 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3ido h LEU 146 Cb 0.46 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3ido h LEU 146 CO 0.02 0.98 -0.04 -0.29 -0.34 0.00 0.00 178.44 178.77 3ido h ILE 147 N 0.87 1.26 -0.07 4.05 6.09 -1.40 -1.26 117.51 127.04 3ido h ILE 147 Ca 0.16 -1.13 0.02 0.00 -1.37 0.00 0.00 64.86 62.54 3ido h ILE 147 Cb 0.53 0.91 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 3ido h ILE 147 CO 0.03 0.40 -0.05 0.40 -3.07 0.00 0.00 178.15 175.86 3ido h ILE 148 N 0.81 0.85 -0.98 2.19 2.04 -1.52 -1.06 117.51 119.85 3ido h ILE 148 Ca 0.14 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.05 3ido h ILE 148 Cb 0.55 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3ido h ILE 148 CO 0.03 0.00 0.64 0.11 0.00 0.00 0.00 178.15 178.93 3ido h LYS 149 N -0.05 1.18 -0.25 2.37 1.79 -0.99 0.68 116.57 121.30 3ido h LYS 149 Ca 0.05 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 3ido h LYS 149 Cb 0.12 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 3ido h LYS 149 CO -0.11 0.78 -0.36 -0.07 -1.08 0.00 0.00 179.45 178.61 3ido h LEU 150 N 1.22 0.74 -0.94 2.94 3.38 -1.12 0.11 115.31 121.64 3ido h LEU 150 Ca 0.40 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3ido h LEU 150 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ido h LEU 150 CO -0.14 1.11 -0.46 -0.08 0.09 0.00 0.00 178.44 178.97 3ido h GLU 151 N 0.40 0.16 -0.11 1.13 4.57 -0.75 -2.38 114.58 117.60 3ido h GLU 151 Ca 0.02 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3ido h GLU 151 Cb 0.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3ido h GLU 151 CO 0.08 0.59 0.00 0.39 -1.18 0.00 0.00 179.01 178.89 3ido n GLU 152 N -3.99 1.49 -1.66 1.92 1.02 0.19 -4.93 120.64 114.68 3ido n GLU 152 Ca -0.02 -0.74 -0.13 0.00 -0.02 0.00 0.00 57.16 56.26 3ido n GLU 152 Cb 0.50 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 3ido n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ido n GLY 153 N 1.01 0.88 0.30 0.62 0.00 -0.90 -4.92 105.19 102.18 3ido n GLY 153 Ca 0.15 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.81 3ido n GLY 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ido n LYS 154 N -2.50 1.38 -0.00 1.61 5.02 0.01 -3.71 118.16 119.97 3ido n LYS 154 Ca -0.14 -0.59 0.05 0.00 -2.02 0.00 0.00 58.31 55.62 3ido n LYS 154 Cb 0.49 -1.15 -0.07 0.00 -0.02 0.00 0.00 35.03 34.28 3ido n LYS 154 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ido n LEU 155 N -0.04 0.18 -4.66 -0.35 4.77 -1.26 -4.97 117.00 110.68 3ido n LEU 155 Ca 0.06 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 3ido n LEU 155 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3ido n LEU 155 CO 0.04 0.05 1.55 -0.63 -1.33 0.00 0.00 177.39 177.07 3ido s ILE 156 N -2.46 3.14 -2.00 -0.08 1.09 -1.24 -5.08 121.20 114.57 3ido s ILE 156 Ca -0.01 0.17 0.31 0.00 -1.10 0.00 0.00 60.65 60.01 3ido s ILE 156 Cb 0.07 -3.11 0.87 0.00 -1.06 0.00 0.00 42.46 39.23 3ido s ILE 156 CO 0.44 -0.01 2.15 0.59 -0.10 0.00 0.00 174.94 178.00