#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zfs n SER 2 N 0.00 4.33 -0.09 1.61 2.88 -1.26 -4.59 113.62 116.50 1zfs n SER 2 Ca 0.00 -2.64 -0.09 0.00 -1.33 0.00 0.00 58.87 54.80 1zfs n SER 2 Cb 0.00 -0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 62.92 1zfs n SER 2 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1zfs h GLU 3 N 2.95 0.42 -0.10 -1.46 5.08 -2.05 2.69 114.58 122.11 1zfs h GLU 3 Ca 0.00 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 1zfs h GLU 3 Cb 1.42 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1zfs h GLU 3 CO 0.23 0.32 -0.88 1.25 -1.00 0.00 0.00 179.01 178.94 1zfs h LEU 4 N 0.40 0.94 -0.67 1.33 6.46 -2.01 -2.55 115.31 119.21 1zfs h LEU 4 Ca 0.11 -0.67 -0.08 0.00 -0.12 0.00 0.00 57.88 57.12 1zfs h LEU 4 Cb 0.01 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 1zfs h LEU 4 CO -0.02 1.47 0.10 -0.08 -0.62 0.00 0.00 178.44 179.29 1zfs h GLU 5 N 0.48 1.12 0.00 1.25 4.81 -1.74 -1.02 114.58 119.48 1zfs h GLU 5 Ca -0.08 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1zfs h GLU 5 Cb 1.52 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.77 1zfs h GLU 5 CO 0.18 1.03 -0.03 1.15 -0.73 0.00 0.00 179.01 180.60 1zfs h THR 6 N 1.04 0.22 -0.22 0.32 2.02 0.48 -1.57 112.91 115.21 1zfs h THR 6 Ca 0.20 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 1zfs h THR 6 Cb 0.45 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1zfs h THR 6 CO 0.01 0.03 -0.45 0.00 0.37 0.00 0.00 175.52 175.49 1zfs h ALA 7 N 1.97 0.81 0.07 6.16 0.00 -0.75 -2.20 119.26 125.33 1zfs h ALA 7 Ca -0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1zfs h ALA 7 Cb 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1zfs h ALA 7 CO 0.00 0.66 -1.12 1.98 0.00 0.00 0.00 179.25 180.77 1zfs h MET 8 N 0.44 0.47 -0.23 0.00 -1.53 -1.25 -3.16 114.93 109.66 1zfs h MET 8 Ca 0.03 -0.60 -0.14 0.00 -3.44 0.00 0.00 59.70 55.55 1zfs h MET 8 Cb 0.96 0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 32.20 1zfs h MET 8 CO 0.09 1.24 -0.44 0.93 0.14 0.00 0.00 176.91 178.86 1zfs h GLU 9 N 0.22 0.57 0.17 0.39 5.08 -1.44 -2.88 114.58 116.69 1zfs h GLU 9 Ca -0.13 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1zfs h GLU 9 Cb 1.79 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1zfs h GLU 9 CO 0.20 0.90 -0.08 0.00 -1.00 0.00 0.00 179.01 179.03 1zfs h THR 10 N 0.46 0.85 0.00 1.13 1.03 -1.47 -2.12 112.91 112.80 1zfs h THR 10 Ca 0.03 -1.06 -0.00 0.00 -0.01 0.00 0.00 66.41 65.38 1zfs h THR 10 Cb 0.96 1.40 -0.00 0.00 -1.07 0.00 0.00 68.15 69.44 1zfs h THR 10 CO 0.09 0.21 -0.00 0.17 -0.01 0.00 0.00 175.52 175.97 1zfs h LEU 11 N -0.83 0.00 -0.57 0.00 8.10 -1.65 -1.21 115.31 119.16 1zfs h LEU 11 Ca -0.02 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.81 1zfs h LEU 11 Cb 0.52 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1zfs h LEU 11 CO 0.04 0.00 -0.61 0.40 -4.11 0.00 0.00 178.44 174.16 1zfs h ILE 12 N 0.00 1.36 -0.07 0.15 2.04 -1.48 -2.05 117.51 117.46 1zfs h ILE 12 Ca -0.00 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 63.85 1zfs h ILE 12 Cb 0.00 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1zfs h ILE 12 CO 0.00 0.58 -0.22 -1.13 0.00 0.00 0.00 178.15 177.38 1zfs h ASN 13 N 0.27 0.32 0.04 1.72 -1.24 -0.52 -2.09 115.58 114.08 1zfs h ASN 13 Ca -0.01 -0.61 -0.07 0.00 0.71 0.00 0.00 56.30 56.32 1zfs h ASN 13 Cb 1.13 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.08 1zfs h ASN 13 CO 0.10 0.88 -0.21 -0.37 -1.29 0.00 0.00 177.43 176.54 1zfs h VAL 14 N -0.22 1.23 -0.94 2.57 -1.51 -1.52 0.11 116.25 115.97 1zfs h VAL 14 Ca -0.01 -1.07 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 1zfs h VAL 14 Cb 0.85 1.33 -0.05 0.00 -2.13 0.00 0.00 31.29 31.29 1zfs h VAL 14 CO 0.05 0.33 0.56 0.15 -1.23 0.00 0.00 177.57 177.43 1zfs h PHE 15 N 0.29 1.25 -0.01 5.19 3.57 -1.28 -0.83 116.94 125.13 1zfs h PHE 15 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1zfs h PHE 15 Cb 0.54 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1zfs h PHE 15 CO 0.01 0.84 -0.21 0.72 -2.23 0.00 0.00 178.31 177.44 1zfs n HIS 16 N -4.35 0.00 0.11 0.41 8.25 -0.72 -1.94 115.22 116.99 1zfs n HIS 16 Ca 0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.34 1zfs n HIS 16 Cb 0.07 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 30.90 1zfs n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zfs h ALA 17 N 3.73 0.00 0.00 -1.41 0.00 0.64 -3.29 119.26 118.93 1zfs h ALA 17 Ca 0.00 -0.97 -0.34 0.00 0.00 0.00 0.00 54.91 53.60 1zfs h ALA 17 Cb 0.48 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1zfs h ALA 17 CO 0.00 0.87 -2.27 0.72 0.00 0.00 0.00 179.25 178.57 1zfs n HIS 18 N -3.63 0.00 -0.35 0.00 8.25 -0.93 -4.03 115.22 114.52 1zfs n HIS 18 Ca -0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.25 1zfs n HIS 18 Cb 1.08 -0.88 0.09 0.00 1.12 0.00 0.00 29.99 31.40 1zfs n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1zfs h SER 19 N 0.00 1.14 0.14 0.41 0.87 -1.59 -1.57 113.55 112.95 1zfs h SER 19 Ca -0.50 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1zfs h SER 19 Cb 1.96 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1zfs h SER 19 CO -0.02 0.90 -0.06 0.61 -0.53 0.00 0.00 176.83 177.72 1zfs n GLY 20 N -1.19 -0.59 0.21 5.77 0.00 -1.24 -3.48 105.19 104.68 1zfs n GLY 20 Ca 0.10 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.90 1zfs n GLY 20 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1zfs h LYS 21 N 1.14 0.00 -0.01 1.61 3.64 -1.42 -3.15 116.57 118.39 1zfs h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zfs h LYS 21 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1zfs h LYS 21 CO 0.00 0.04 -0.47 0.39 -2.27 0.00 0.00 179.45 177.14 1zfs n GLU 22 N -3.09 0.67 0.00 1.90 -0.58 -1.22 -4.95 120.64 113.37 1zfs n GLU 22 Ca 0.04 -0.48 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 1zfs n GLU 22 Cb 0.55 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zfs n GLY 23 N 1.41 2.72 3.01 0.62 0.00 -1.19 -4.90 105.19 106.87 1zfs n GLY 23 Ca 0.09 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1zfs n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zfs n ASP 24 N 1.09 2.83 0.04 1.61 -0.08 -1.26 -4.52 116.55 116.25 1zfs n ASP 24 Ca 0.00 -2.72 0.13 0.00 -1.51 0.00 0.00 54.79 50.70 1zfs n ASP 24 Cb 0.00 -1.24 0.53 0.00 2.34 0.00 0.00 41.12 42.75 1zfs n ASP 24 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1zfs n LYS 25 N 6.80 0.10 0.04 -0.67 4.81 -1.26 -3.18 118.16 124.81 1zfs n LYS 25 Ca 0.50 0.10 0.11 0.00 -0.87 0.00 0.00 58.31 58.15 1zfs n LYS 25 Cb 0.40 -1.62 0.06 0.00 0.02 0.00 0.00 35.03 33.89 1zfs n LYS 25 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 1zfs n TYR 26 N -1.80 0.41 -3.84 5.64 4.11 -1.26 -4.89 117.16 115.52 1zfs n TYR 26 Ca 0.06 0.12 -0.12 0.00 -0.00 0.00 0.00 57.90 57.96 1zfs n TYR 26 Cb 0.37 -0.55 -0.11 0.00 -0.00 0.00 0.00 39.34 39.05 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1zfs s LYS 27 N -3.21 0.37 0.70 -3.48 2.47 -1.19 -5.08 119.74 110.31 1zfs s LYS 27 Ca 0.04 -0.11 -0.09 0.00 -1.56 0.00 0.00 55.97 54.24 1zfs s LYS 27 Cb 0.14 0.16 0.04 0.00 -1.46 0.00 0.00 37.83 36.70 1zfs s LYS 27 CO 0.78 -0.08 1.06 -1.17 0.16 0.00 0.00 175.35 176.10 1zfs s LEU 28 N -0.74 2.87 0.20 5.43 2.96 -0.75 -4.76 118.68 123.89 1zfs s LEU 28 Ca -0.08 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1zfs s LEU 28 Cb -0.05 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1zfs s LEU 28 CO 0.01 -1.46 0.07 -0.55 -1.32 0.00 0.00 176.35 173.11 1zfs s SER 29 N -4.43 0.76 0.25 3.68 0.15 -1.26 -2.45 113.70 110.41 1zfs s SER 29 Ca 0.58 -1.29 -0.05 0.00 0.70 0.00 0.00 55.95 55.89 1zfs s SER 29 Cb -0.11 0.23 0.30 0.00 -1.71 0.00 0.00 66.02 64.73 1zfs s SER 29 CO 0.48 -0.72 1.91 0.50 1.20 0.00 0.00 173.24 176.62 1zfs h LYS 30 N 2.62 1.26 -0.00 5.44 3.11 -1.93 -2.68 116.57 124.39 1zfs h LYS 30 Ca -0.37 -0.08 -0.19 0.00 -2.81 0.00 0.00 60.65 57.20 1zfs h LYS 30 Cb 1.23 -0.28 -0.01 0.00 -1.00 0.00 0.00 32.23 32.16 1zfs h LYS 30 CO 0.59 0.83 -0.86 -0.22 -2.81 0.00 0.00 179.45 176.98 1zfs h LYS 31 N 1.30 0.21 -0.00 1.90 3.11 -1.97 -3.10 116.57 118.01 1zfs h LYS 31 Ca 0.38 -0.22 -0.00 0.00 -2.81 0.00 0.00 60.65 58.00 1zfs h LYS 31 Cb -0.06 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1zfs h LYS 31 CO -0.11 0.95 0.00 0.93 -2.81 0.00 0.00 179.45 178.41 1zfs h GLU 32 N 0.12 0.01 -0.09 1.90 5.08 -1.85 -2.68 114.58 117.06 1zfs h GLU 32 Ca -0.04 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1zfs h GLU 32 Cb 1.48 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1zfs h GLU 32 CO 0.13 0.08 -0.21 1.37 -1.00 0.00 0.00 179.01 179.39 1zfs h LEU 33 N -0.07 0.15 -1.01 1.33 8.10 -1.60 -2.44 115.31 119.77 1zfs h LEU 33 Ca 0.00 -0.04 0.01 0.00 0.11 0.00 0.00 57.88 57.97 1zfs h LEU 33 Cb 0.08 -0.04 -0.05 0.00 -0.44 0.00 0.00 40.66 40.21 1zfs h LEU 33 CO -0.00 0.37 0.67 0.50 -4.11 0.00 0.00 178.44 175.87 1zfs h LYS 34 N 0.15 1.32 -0.45 0.17 1.63 -1.41 -2.37 116.57 115.62 1zfs h LYS 34 Ca 0.03 -0.08 -0.13 0.00 -0.85 0.00 0.00 60.65 59.61 1zfs h LYS 34 Cb 0.46 -0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1zfs h LYS 34 CO 0.03 0.87 -0.25 0.22 -3.45 0.00 0.00 179.45 176.88 1zfs h ASP 35 N 1.36 0.99 -0.68 4.20 3.58 -1.14 -2.67 116.42 122.07 1zfs h ASP 35 Ca 0.37 -0.41 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 1zfs h ASP 35 Cb -0.15 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.59 1zfs h ASP 35 CO -0.08 1.19 0.24 -0.07 -2.88 0.00 0.00 179.24 177.64 1zfs h LEU 36 N 0.80 0.97 0.16 2.28 3.38 -1.24 -1.03 115.31 120.63 1zfs h LEU 36 Ca 0.10 -0.19 -0.27 0.00 0.09 0.00 0.00 57.88 57.61 1zfs h LEU 36 Cb 0.83 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 41.35 1zfs h LEU 36 CO 0.07 0.90 -1.14 -0.07 0.09 0.00 0.00 178.44 178.29 1zfs h LEU 37 N 0.98 0.72 -1.42 1.67 3.38 -1.51 -3.19 115.31 115.94 1zfs h LEU 37 Ca 0.22 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1zfs h LEU 37 Cb 0.26 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1zfs h LEU 37 CO -0.01 1.55 0.00 0.06 0.09 0.00 0.00 178.44 180.12 1zfs h GLN 38 N 0.01 0.00 0.15 1.13 -0.00 -1.49 0.35 115.11 115.25 1zfs h GLN 38 Ca -0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.45 1zfs h GLN 38 Cb 1.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.35 1zfs h GLN 38 CO 0.22 0.00 -0.07 1.79 -0.00 0.00 0.00 178.83 180.76 1zfs h THR 39 N 0.00 0.34 0.00 1.86 1.35 -1.20 -3.37 112.91 111.88 1zfs h THR 39 Ca 0.00 -1.04 -0.14 0.00 -0.55 0.00 0.00 66.41 64.68 1zfs h THR 39 Cb 0.51 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.51 1zfs h THR 39 CO 0.00 0.10 -1.59 -0.62 -0.25 0.00 0.00 175.52 173.16 1zfs n GLU 40 N -4.89 2.08 -0.89 4.72 1.02 -1.21 -4.66 120.64 116.82 1zfs n GLU 40 Ca -0.04 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.00 1zfs n GLU 40 Cb 0.16 -1.23 0.21 0.00 -0.02 0.00 0.00 31.44 30.56 1zfs n GLU 40 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1zfs n LEU 41 N -2.24 4.90 0.05 -4.62 4.32 -0.09 -4.71 117.00 114.61 1zfs n LEU 41 Ca -0.12 -3.60 -0.12 0.00 -0.02 0.00 0.00 56.01 52.14 1zfs n LEU 41 Cb 0.69 -0.68 -0.07 0.00 -1.62 0.00 0.00 43.42 41.74 1zfs n LEU 41 CO 0.20 1.10 0.86 -1.28 -1.22 0.00 0.00 177.39 177.05 1zfs h SER 42 N 1.24 -0.03 -0.76 -1.43 0.87 -0.57 -1.07 113.55 111.80 1zfs h SER 42 Ca 0.30 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1zfs h SER 42 Cb 1.99 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.92 1zfs h SER 42 CO 0.57 -0.02 0.25 0.28 -0.53 0.00 0.00 176.83 177.38 1zfs h SER 43 N -0.04 1.10 0.01 6.23 0.02 -1.87 -3.32 113.55 115.68 1zfs h SER 43 Ca -0.00 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1zfs h SER 43 Cb 0.03 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1zfs h SER 43 CO 0.01 1.01 -0.01 -0.26 -1.14 0.00 0.00 176.83 176.44 1zfs h PHE 44 N 1.13 -0.01 -2.33 3.45 0.04 -1.87 -3.40 116.94 113.95 1zfs h PHE 44 Ca 0.25 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.43 1zfs h PHE 44 Cb 0.29 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.33 1zfs h PHE 44 CO 0.02 -0.01 0.91 -0.51 -0.60 0.00 0.00 178.31 178.13 1zfs s LEU 45 N -4.37 3.74 0.35 1.54 1.43 -0.42 -4.98 118.68 115.98 1zfs s LEU 45 Ca -0.00 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 51.96 1zfs s LEU 45 Cb 0.00 -2.50 -0.12 0.00 0.03 0.00 0.00 46.19 43.60 1zfs s LEU 45 CO 0.01 -1.62 1.40 0.47 0.23 0.00 0.00 176.35 176.84 1zfs n ASP 46 N 8.57 3.29 0.06 2.29 8.00 -1.25 -4.48 116.55 133.02 1zfs n ASP 46 Ca 0.05 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1zfs n ASP 46 Cb 0.48 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1zfs n ASP 46 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1zfs n VAL 47 N 0.60 0.00 -0.27 2.53 3.14 -1.26 -4.89 118.33 118.17 1zfs n VAL 47 Ca 0.04 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.37 1zfs n VAL 47 Cb 0.37 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.21 1zfs n VAL 47 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 1zfs h GLN 48 N 0.00 1.04 -0.25 1.45 3.07 -1.90 -2.77 115.11 115.74 1zfs h GLN 48 Ca 0.00 -0.11 -0.20 0.00 0.09 0.00 0.00 58.65 58.43 1zfs h GLN 48 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.35 1zfs h GLN 48 CO 0.00 0.75 -0.61 1.57 0.09 0.00 0.00 178.83 180.63 1zfs h LYS 49 N 1.03 0.86 -3.59 0.06 2.10 -1.95 -3.36 116.57 111.72 1zfs h LYS 49 Ca 0.27 -0.59 -0.77 0.00 -2.00 0.00 0.00 60.65 57.56 1zfs h LYS 49 Cb 0.00 0.09 -0.30 0.00 -0.90 0.00 0.00 32.23 31.12 1zfs h LYS 49 CO -0.05 1.21 0.17 -0.51 -2.00 0.00 0.00 179.45 178.28 1zfs s ASP 50 N -7.00 6.72 0.61 7.07 1.01 -1.05 -4.85 116.67 119.17 1zfs s ASP 50 Ca -0.11 -3.30 0.33 0.00 0.71 0.00 0.00 52.55 50.18 1zfs s ASP 50 Cb 0.10 -2.12 1.96 0.00 1.01 0.00 0.00 42.92 43.87 1zfs s ASP 50 CO 0.90 -0.35 2.28 0.00 0.21 0.00 0.00 175.17 178.21 1zfs h ALA 51 N 6.88 1.41 0.00 5.23 0.00 -1.70 0.45 119.26 131.53 1zfs h ALA 51 Ca 0.14 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1zfs h ALA 51 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1zfs h ALA 51 CO 0.88 -0.00 -0.40 0.22 0.00 0.00 0.00 179.25 179.95 1zfs h ASP 52 N 0.00 0.00 -0.16 0.00 1.82 -1.89 -2.41 116.42 113.79 1zfs h ASP 52 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1zfs h ASP 52 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1zfs h ASP 52 CO -0.00 0.40 -0.00 0.00 -1.61 0.00 0.00 179.24 178.03 1zfs h ALA 53 N 1.60 1.51 0.00 -0.78 0.00 -0.39 -2.20 119.26 119.00 1zfs h ALA 53 Ca -0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1zfs h ALA 53 Cb 0.76 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1zfs h ALA 53 CO 0.05 0.36 -0.71 -0.24 0.00 0.00 0.00 179.25 178.71 1zfs h VAL 54 N 0.39 1.41 -0.35 0.00 3.04 -1.41 -2.28 116.25 117.05 1zfs h VAL 54 Ca 0.09 -2.52 -0.12 0.00 -1.01 0.00 0.00 66.70 63.14 1zfs h VAL 54 Cb 0.26 2.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 1zfs h VAL 54 CO 0.01 0.70 -0.23 -0.78 -1.01 0.00 0.00 177.57 176.25 1zfs h ASP 55 N 0.00 0.82 -0.56 3.17 1.82 -1.33 -2.37 116.42 117.97 1zfs h ASP 55 Ca -0.01 -0.43 -0.11 0.00 -0.39 0.00 0.00 57.03 56.09 1zfs h ASP 55 Cb 1.34 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.10 1zfs h ASP 55 CO 0.09 1.07 -0.09 0.11 -1.61 0.00 0.00 179.24 178.81 1zfs h LYS 56 N 0.57 1.05 -0.57 0.28 1.57 -1.47 -2.11 116.57 115.88 1zfs h LYS 56 Ca 0.07 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1zfs h LYS 56 Cb 0.79 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1zfs h LYS 56 CO 0.06 1.08 -0.07 0.82 -0.57 0.00 0.00 179.45 180.77 1zfs h ILE 57 N 0.93 1.27 0.00 1.86 5.03 -1.34 -2.67 117.51 122.59 1zfs h ILE 57 Ca 0.15 -1.23 -0.10 0.00 -0.12 0.00 0.00 64.86 63.56 1zfs h ILE 57 Cb 0.67 0.89 -0.01 0.00 -3.03 0.00 0.00 36.82 35.34 1zfs h ILE 57 CO 0.05 0.44 -0.46 0.00 -0.68 0.00 0.00 178.15 177.50 1zfs h MET 58 N 0.95 0.00 -0.64 2.37 -0.00 -1.38 -3.19 114.93 113.04 1zfs h MET 58 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.88 1zfs h MET 58 Cb 0.64 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.20 1zfs h MET 58 CO 0.04 0.46 0.40 -0.22 -0.00 0.00 0.00 176.91 177.59 1zfs h LYS 59 N 0.00 0.77 -0.75 -0.10 3.64 -1.02 2.23 116.57 121.33 1zfs h LYS 59 Ca -0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1zfs h LYS 59 Cb 1.12 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1zfs h LYS 59 CO 0.06 0.51 0.23 0.93 -2.27 0.00 0.00 179.45 178.90 1zfs h GLU 60 N 0.79 1.17 0.27 1.90 5.08 -1.53 -1.87 114.58 120.38 1zfs h GLU 60 Ca 0.25 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1zfs h GLU 60 Cb 0.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1zfs h GLU 60 CO -0.10 1.00 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.71 1zfs h LEU 61 N 1.12 -0.30 -3.34 1.33 4.07 -1.26 -3.19 115.31 113.73 1zfs h LEU 61 Ca 0.24 -0.21 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 1zfs h LEU 61 Cb 0.32 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.10 1zfs h LEU 61 CO -0.01 0.18 0.01 0.47 -1.08 0.00 0.00 178.44 178.01 1zfs n ASP 62 N -5.03 5.55 0.20 -0.43 8.00 0.74 -4.41 116.55 121.18 1zfs n ASP 62 Ca -0.08 -2.56 0.17 0.00 0.71 0.00 0.00 54.79 53.04 1zfs n ASP 62 Cb 0.25 -1.18 0.73 0.00 -0.02 0.00 0.00 41.12 40.91 1zfs n ASP 62 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1zfs h GLU 63 N 1.56 0.00 0.00 -1.24 4.81 -1.33 2.52 114.58 120.89 1zfs h GLU 63 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1zfs h GLU 63 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1zfs h GLU 63 CO 0.20 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.57 1zfs n ASN 64 N -3.27 0.00 -1.73 1.04 3.02 -1.26 -4.90 115.26 108.15 1zfs n ASN 64 Ca 0.03 0.32 -0.12 0.00 -0.03 0.00 0.00 54.58 54.78 1zfs n ASN 64 Cb 0.56 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 39.31 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zfs n GLY 65 N 1.40 0.01 0.57 7.41 0.00 0.85 -4.91 105.19 110.52 1zfs n GLY 65 Ca 0.09 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1zfs n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zfs n ASP 66 N -0.57 1.80 0.00 1.61 5.75 -1.26 -4.89 116.55 118.99 1zfs n ASP 66 Ca -0.07 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1zfs n ASP 66 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1zfs n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1zfs n GLY 67 N 1.21 0.00 3.21 6.12 0.00 -1.26 -4.85 105.19 109.62 1zfs n GLY 67 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1zfs n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zfs s GLU 68 N -1.14 0.93 0.13 1.61 2.02 -1.26 -3.27 118.70 117.72 1zfs s GLU 68 Ca 0.00 -1.09 0.10 0.00 0.02 0.00 0.00 54.97 54.00 1zfs s GLU 68 Cb 0.00 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.29 1zfs s GLU 68 CO 0.00 0.19 -0.24 0.08 0.02 0.00 0.00 175.26 175.31 1zfs s VAL 69 N -1.63 2.03 -0.72 2.63 1.01 -1.02 -4.67 120.40 118.03 1zfs s VAL 69 Ca 0.03 -1.71 0.09 0.00 0.00 0.00 0.00 61.98 60.40 1zfs s VAL 69 Cb -0.08 -1.83 0.48 0.00 0.00 0.00 0.00 36.38 34.95 1zfs s VAL 69 CO 0.03 -0.00 1.25 0.47 0.00 0.00 0.00 175.10 176.84 1zfs n ASP 70 N 0.90 3.66 0.00 3.32 8.00 -1.26 -1.81 116.55 129.36 1zfs n ASP 70 Ca -0.18 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 52.83 1zfs n ASP 70 Cb 0.54 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1zfs n ASP 70 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1zfs n PHE 71 N 0.42 0.00 -0.23 1.24 7.35 -1.26 -4.36 117.46 120.62 1zfs n PHE 71 Ca 0.16 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1zfs n PHE 71 Cb 0.77 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.63 1zfs n PHE 71 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1zfs h GLN 72 N 0.00 1.11 -1.00 -4.13 4.15 -2.01 -2.26 115.11 110.97 1zfs h GLN 72 Ca 0.00 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.11 1zfs h GLN 72 Cb 0.00 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.52 1zfs h GLN 72 CO 0.00 1.03 0.65 0.93 -1.93 0.00 0.00 178.83 179.52 1zfs h GLU 73 N 1.02 1.32 -0.15 1.69 5.08 -1.97 -2.96 114.58 118.62 1zfs h GLU 73 Ca 0.19 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1zfs h GLU 73 Cb 0.49 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1zfs h GLU 73 CO 0.02 0.88 0.09 0.35 -1.00 0.00 0.00 179.01 179.35 1zfs h PHE 74 N 1.36 0.19 -0.99 4.33 3.57 -1.76 -2.95 116.94 120.69 1zfs h PHE 74 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1zfs h PHE 74 Cb -0.14 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1zfs h PHE 74 CO 0.00 0.18 0.66 -0.24 -2.23 0.00 0.00 178.31 176.67 1zfs h VAL 75 N 0.16 1.25 -0.42 1.41 3.04 -1.29 -2.69 116.25 117.70 1zfs h VAL 75 Ca 0.05 -0.46 -0.15 0.00 -1.01 0.00 0.00 66.70 65.13 1zfs h VAL 75 Cb 0.04 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.11 1zfs h VAL 75 CO -0.01 0.24 -0.33 0.58 -1.01 0.00 0.00 177.57 177.05 1zfs h VAL 76 N 1.34 1.27 0.47 1.51 2.07 -1.51 -1.81 116.25 119.59 1zfs h VAL 76 Ca 0.36 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1zfs h VAL 76 Cb -0.15 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1zfs h VAL 76 CO -0.08 0.51 -0.22 0.25 0.02 0.00 0.00 177.57 178.04 1zfs h LEU 77 N 0.80 -0.53 -1.36 2.57 7.12 -1.33 -3.13 115.31 119.45 1zfs h LEU 77 Ca 0.08 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1zfs h LEU 77 Cb 0.92 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1zfs h LEU 77 CO 0.09 -0.13 -0.13 -0.37 -0.13 0.00 0.00 178.44 177.77 1zfs h VAL 78 N -1.01 0.34 -0.08 1.05 -1.51 -1.61 -2.91 116.25 110.52 1zfs h VAL 78 Ca -0.06 -0.81 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1zfs h VAL 78 Cb 0.58 1.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1zfs h VAL 78 CO 0.10 0.12 0.03 0.00 -1.23 0.00 0.00 177.57 176.60 1zfs h ALA 79 N 1.87 0.10 -0.30 5.19 0.00 -1.34 -2.64 119.26 122.14 1zfs h ALA 79 Ca -0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1zfs h ALA 79 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1zfs h ALA 79 CO 0.02 -0.31 -0.44 0.00 0.00 0.00 0.00 179.25 178.51 1zfs h ALA 80 N 0.86 0.65 -0.19 0.00 0.00 -1.48 -2.82 119.26 116.29 1zfs h ALA 80 Ca 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1zfs h ALA 80 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1zfs h ALA 80 CO -0.00 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.83 1zfs h LEU 81 N 0.62 0.34 -0.41 0.00 3.38 -1.48 -2.39 115.31 115.37 1zfs h LEU 81 Ca 0.04 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 1zfs h LEU 81 Cb 1.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1zfs h LEU 81 CO 0.10 0.59 -0.34 0.00 0.09 0.00 0.00 178.44 178.87 1zfs h THR 82 N 0.08 1.27 -0.90 0.22 1.03 -1.56 -2.63 112.91 110.42 1zfs h THR 82 Ca 0.05 -1.52 0.01 0.00 -0.01 0.00 0.00 66.41 64.94 1zfs h THR 82 Cb 0.43 1.32 -0.04 0.00 -1.07 0.00 0.00 68.15 68.78 1zfs h THR 82 CO 0.01 0.51 0.60 0.58 -0.01 0.00 0.00 175.52 177.21 1zfs h VAL 83 N 0.78 1.23 -0.86 0.00 2.07 -1.52 -1.76 116.25 116.20 1zfs h VAL 83 Ca 0.07 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1zfs h VAL 83 Cb 0.94 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1zfs h VAL 83 CO 0.09 0.22 0.42 0.00 0.02 0.00 0.00 177.57 178.32 1zfs h ALA 84 N 1.33 1.13 -0.88 1.67 0.00 -1.29 -2.77 119.26 118.44 1zfs h ALA 84 Ca 0.33 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zfs h ALA 84 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.27 1zfs h ALA 84 CO -0.07 0.67 0.59 0.00 0.00 0.00 0.00 179.25 180.43 1zfs h ASN 86 N 1.20 1.14 0.89 0.00 -1.24 -1.21 -1.20 115.58 115.16 1zfs h ASN 86 Ca 0.33 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.24 1zfs h ASN 86 Cb -0.13 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.62 1zfs h ASN 86 CO -0.07 0.83 -0.27 0.78 -1.29 0.00 0.00 177.43 177.41 1zfs h ASN 87 N 1.35 0.00 -0.47 1.15 -0.26 -1.36 -3.00 115.58 112.99 1zfs h ASN 87 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 1zfs h ASN 87 Cb -0.15 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 1zfs h ASN 87 CO -0.08 0.27 0.31 0.15 -1.06 0.00 0.00 177.43 177.03 1zfs h PHE 88 N 0.00 0.59 -0.19 1.19 3.57 -0.32 0.57 116.94 122.35 1zfs h PHE 88 Ca -0.00 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 1zfs h PHE 88 Cb 0.79 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1zfs h PHE 88 CO 0.00 0.38 -0.54 0.74 -2.23 0.00 0.00 178.31 176.65 1zfs h PHE 89 N 0.64 0.71 -0.14 0.41 0.04 -1.49 -3.09 116.94 114.02 1zfs h PHE 89 Ca 0.17 -0.25 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 1zfs h PHE 89 Cb -0.07 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1zfs h PHE 89 CO -0.04 0.99 -0.52 2.35 -0.60 0.00 0.00 178.31 180.48 1zfs h TRP 90 N 0.44 0.49 -0.98 -0.55 7.01 -1.28 -2.79 115.95 118.29 1zfs h TRP 90 Ca 0.01 -0.17 0.01 0.00 2.11 0.00 0.00 58.89 60.85 1zfs h TRP 90 Cb 1.08 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 28.00 1zfs h TRP 90 CO 0.05 0.83 0.64 1.49 -2.79 0.00 0.00 178.44 178.66 1zfs h GLU 91 N 0.31 1.30 -0.01 2.65 4.81 0.21 -1.50 114.58 122.35 1zfs h GLU 91 Ca 0.01 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1zfs h GLU 91 Cb 1.02 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1zfs h GLU 91 CO 0.09 0.87 -0.10 0.27 -0.73 0.00 0.00 179.01 179.40 1zfs n ASN 92 N -4.39 1.08 0.00 1.04 0.23 -1.21 -5.11 115.26 106.91 1zfs n ASN 92 Ca 0.11 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 1zfs n ASN 92 Cb 0.02 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1zfs n ASN 92 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09