#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 0.47 -0.18 1.61 7.64 -1.26 -3.92 113.62 117.98 1zfs n SER 2 Ca 0.00 -1.54 -0.07 0.00 1.01 0.00 0.00 58.87 58.27 1zfs n SER 2 Cb 0.00 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1zfs n SER 2 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1zfs h GLU 3 N 0.62 0.69 0.15 1.43 4.11 -2.05 0.91 114.58 120.43 1zfs h GLU 3 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1zfs h GLU 3 Cb 0.14 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1zfs h GLU 3 CO 0.00 0.46 -0.07 1.25 0.07 0.00 0.00 179.01 180.71 1zfs h LEU 4 N 0.71 -0.17 -1.00 3.06 5.85 -2.00 -1.59 115.31 120.17 1zfs h LEU 4 Ca 0.19 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1zfs h LEU 4 Cb -0.08 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1zfs h LEU 4 CO -0.04 0.26 0.66 -0.08 -0.34 0.00 0.00 178.44 178.90 1zfs h GLU 5 N -0.64 1.32 0.00 1.25 4.81 -1.76 0.34 114.58 119.89 1zfs h GLU 5 Ca -0.02 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1zfs h GLU 5 Cb 0.48 -0.30 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1zfs h GLU 5 CO 0.03 0.87 -0.03 1.15 -0.73 0.00 0.00 179.01 180.31 1zfs h THR 6 N 1.36 0.31 -0.27 0.32 2.02 0.94 -1.72 112.91 115.87 1zfs h THR 6 Ca 0.37 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 67.25 1zfs h THR 6 Cb -0.15 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1zfs h THR 6 CO -0.08 0.02 -0.43 0.00 0.37 0.00 0.00 175.52 175.40 1zfs h ALA 7 N 1.97 0.73 0.12 6.16 0.00 0.71 -1.83 119.26 127.13 1zfs h ALA 7 Ca -0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 1zfs h ALA 7 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1zfs h ALA 7 CO 0.00 0.66 -1.30 0.52 0.00 0.00 0.00 179.25 179.13 1zfs h MET 8 N 0.55 0.26 0.00 0.00 2.86 -1.21 -3.09 114.93 114.31 1zfs h MET 8 Ca 0.04 -0.45 -0.10 0.00 -2.06 0.00 0.00 59.70 57.13 1zfs h MET 8 Cb 0.97 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1zfs h MET 8 CO 0.09 1.19 -0.47 1.05 1.06 0.00 0.00 176.91 179.83 1zfs h GLU 9 N 0.07 0.00 0.47 1.72 4.11 -1.47 -2.47 114.58 117.01 1zfs h GLU 9 Ca -0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 1zfs h GLU 9 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1zfs h GLU 9 CO 0.19 0.47 -0.23 1.79 0.07 0.00 0.00 179.01 181.30 1zfs h THR 10 N 0.00 0.14 0.00 -1.06 1.35 -1.35 -2.70 112.91 109.28 1zfs h THR 10 Ca -0.00 -0.55 -0.09 0.00 -0.55 0.00 0.00 66.41 65.22 1zfs h THR 10 Cb 0.86 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1zfs h THR 10 CO 0.06 0.03 -0.40 0.17 -0.25 0.00 0.00 175.52 175.12 1zfs h LEU 11 N -1.12 0.00 -0.50 3.87 8.10 -1.60 -2.84 115.31 121.22 1zfs h LEU 11 Ca -0.06 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.79 1zfs h LEU 11 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1zfs h LEU 11 CO 0.11 0.40 -0.22 0.40 -4.11 0.00 0.00 178.44 175.02 1zfs h ILE 12 N 0.00 1.27 -0.67 0.15 2.04 -1.52 -0.41 117.51 118.37 1zfs h ILE 12 Ca -0.00 -1.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1zfs h ILE 12 Cb 0.81 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1zfs h ILE 12 CO 0.05 0.48 0.09 -1.13 0.00 0.00 0.00 178.15 177.65 1zfs h ASN 13 N 0.85 1.07 1.22 1.72 -1.24 -1.33 -1.97 115.58 115.91 1zfs h ASN 13 Ca 0.11 -0.26 -0.07 0.00 0.71 0.00 0.00 56.30 56.78 1zfs h ASN 13 Cb 0.80 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1zfs h ASN 13 CO 0.07 1.06 -0.35 0.58 -1.29 0.00 0.00 177.43 177.50 1zfs h VAL 14 N 1.04 0.69 -0.24 2.57 2.07 -1.41 -0.53 116.25 120.44 1zfs h VAL 14 Ca 0.20 -1.63 -0.14 0.00 0.82 0.00 0.00 66.70 65.95 1zfs h VAL 14 Cb 0.46 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1zfs h VAL 14 CO 0.02 0.34 -0.41 0.15 0.02 0.00 0.00 177.57 177.68 1zfs h PHE 15 N 0.00 0.68 -0.00 1.57 3.04 -0.46 -2.19 116.94 119.58 1zfs h PHE 15 Ca -0.00 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.75 1zfs h PHE 15 Cb 1.05 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1zfs h PHE 15 CO 0.00 0.89 -0.39 0.72 -2.02 0.00 0.00 178.31 177.51 1zfs n HIS 16 N -4.03 0.00 0.07 0.41 8.25 -0.80 -1.84 115.22 117.29 1zfs n HIS 16 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.27 1zfs n HIS 16 Cb 0.52 -0.26 -0.09 0.00 1.12 0.00 0.00 29.99 31.28 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 3.13 0.18 0.00 -1.41 0.00 -0.45 -3.37 119.26 117.34 1zfs h ALA 17 Ca 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.09 1zfs h ALA 17 Cb 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1zfs h ALA 17 CO 0.00 0.77 -1.46 1.58 0.00 0.00 0.00 179.25 180.14 1zfs n HIS 18 N -3.76 0.00 -0.32 0.00 -0.00 -1.13 -4.22 115.22 105.80 1zfs n HIS 18 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.61 1zfs n HIS 18 Cb 0.91 -0.29 0.16 0.00 -0.00 0.00 0.00 29.99 30.77 1zfs n HIS 18 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1zfs h SER 19 N 0.00 1.04 -1.39 0.26 0.87 -1.56 -3.26 113.55 109.52 1zfs h SER 19 Ca -0.12 -0.03 -0.45 0.00 -1.23 0.00 0.00 61.79 59.96 1zfs h SER 19 Cb 1.01 -0.26 -0.41 0.00 -0.44 0.00 0.00 62.40 62.30 1zfs h SER 19 CO 0.01 0.75 -1.04 0.61 -0.53 0.00 0.00 176.83 176.63 1zfs n GLY 20 N -1.40 3.28 0.10 5.77 0.00 -1.26 -4.24 105.19 107.44 1zfs n GLY 20 Ca 0.11 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 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 2.89 0.04 0.00 1.61 3.64 -1.73 -3.43 116.57 119.59 1zfs h LYS 21 Ca 0.05 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1zfs h LYS 21 Cb 1.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1zfs h LYS 21 CO 0.61 1.03 -1.57 0.39 -2.27 0.00 0.00 179.45 177.64 1zfs n GLU 22 N -4.38 1.93 -0.89 1.90 1.02 -1.26 -5.11 120.64 113.85 1zfs n GLU 22 Ca -0.26 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1zfs n GLU 22 Cb 0.68 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zfs n GLY 23 N 2.65 1.51 2.40 0.62 0.00 -1.26 -4.92 105.19 106.19 1zfs n GLY 23 Ca -0.15 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1zfs n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zfs n ASP 24 N -0.32 -3.43 0.30 1.61 8.00 -1.26 -4.39 116.55 117.06 1zfs n ASP 24 Ca 0.00 0.24 0.19 0.00 0.71 0.00 0.00 54.79 55.94 1zfs n ASP 24 Cb 0.00 -2.96 0.91 0.00 -0.02 0.00 0.00 41.12 39.05 1zfs n ASP 24 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1zfs h LYS 25 N 0.00 0.00 0.00 -1.24 3.11 -1.89 -1.93 116.57 114.62 1zfs h LYS 25 Ca -0.25 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1zfs h LYS 25 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1zfs h LYS 25 CO 0.30 0.00 -0.68 0.66 -2.81 0.00 0.00 179.45 176.92 1zfs n TYR 26 N -3.03 0.14 -3.48 1.91 4.01 -1.26 -4.84 117.16 110.60 1zfs n TYR 26 Ca -0.01 0.04 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 1zfs n TYR 26 Cb 0.19 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1zfs s LYS 27 N -3.07 1.33 0.68 -0.72 2.20 -0.73 -5.14 119.74 114.30 1zfs s LYS 27 Ca 0.08 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.05 1zfs s LYS 27 Cb 0.16 0.59 -0.00 0.00 -1.51 0.00 0.00 37.83 37.06 1zfs s LYS 27 CO 0.74 -0.59 1.07 -1.17 -0.36 0.00 0.00 175.35 175.04 1zfs s LEU 28 N -2.77 3.04 0.18 5.43 2.96 -1.02 -4.70 118.68 121.80 1zfs s LEU 28 Ca 0.03 1.32 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1zfs s LEU 28 Cb -0.02 -4.21 -0.04 0.00 0.50 0.00 0.00 46.19 42.42 1zfs s LEU 28 CO -0.10 -1.20 0.05 -0.44 -1.32 0.00 0.00 176.35 173.34 1zfs s SER 29 N -4.19 0.82 0.25 3.68 0.01 -1.26 -2.38 113.70 110.62 1zfs s SER 29 Ca 0.57 -1.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.51 1zfs s SER 29 Cb -0.12 0.21 0.26 0.00 0.21 0.00 0.00 66.02 66.58 1zfs s SER 29 CO 0.53 -0.68 1.92 0.50 0.41 0.00 0.00 173.24 175.92 1zfs h LYS 30 N 2.66 1.29 0.00 12.44 3.64 -1.94 -2.69 116.57 131.97 1zfs h LYS 30 Ca -0.36 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 58.78 1zfs h LYS 30 Cb 1.22 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1zfs h LYS 30 CO 0.60 0.85 -0.77 1.57 -2.27 0.00 0.00 179.45 179.43 1zfs h LYS 31 N 1.33 0.00 -0.09 1.90 -0.00 -1.97 -3.06 116.57 114.69 1zfs h LYS 31 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 61.00 1zfs h LYS 31 Cb -0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.09 1zfs h LYS 31 CO -0.08 0.77 0.02 0.93 -0.00 0.00 0.00 179.45 181.08 1zfs h GLU 32 N 0.00 0.14 -0.21 0.07 5.08 -1.81 -2.55 114.58 115.29 1zfs h GLU 32 Ca -0.01 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1zfs h GLU 32 Cb 1.49 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1zfs h GLU 32 CO 0.10 0.35 -0.34 1.37 -1.00 0.00 0.00 179.01 179.49 1zfs h LEU 33 N -0.09 0.47 -0.70 1.33 8.10 -1.59 -3.05 115.31 119.78 1zfs h LEU 33 Ca 0.03 -0.18 -0.08 0.00 0.11 0.00 0.00 57.88 57.76 1zfs h LEU 33 Cb 0.28 -0.13 -0.03 0.00 -0.44 0.00 0.00 40.66 40.34 1zfs h LEU 33 CO 0.00 0.78 0.14 0.50 -4.11 0.00 0.00 178.44 175.75 1zfs h LYS 34 N 0.39 1.13 -0.92 0.17 3.64 -1.47 -2.73 116.57 116.77 1zfs h LYS 34 Ca 0.04 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1zfs h LYS 34 Cb 0.78 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1zfs h LYS 34 CO 0.06 1.02 0.53 -0.44 -2.27 0.00 0.00 179.45 178.35 1zfs h ASP 35 N 1.07 1.12 -0.99 4.20 3.32 -1.35 -2.52 116.42 121.28 1zfs h ASP 35 Ca 0.21 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1zfs h ASP 35 Cb 0.42 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1zfs h ASP 35 CO 0.01 0.88 0.63 -0.07 -1.72 0.00 0.00 179.24 178.97 1zfs h LEU 36 N 1.28 1.15 0.13 1.55 3.38 -1.44 -3.03 115.31 118.33 1zfs h LEU 36 Ca 0.33 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.97 1zfs h LEU 36 Cb -0.02 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.45 1zfs h LEU 36 CO -0.06 0.86 -1.25 -0.07 0.09 0.00 0.00 178.44 178.01 1zfs h LEU 37 N 1.35 0.48 0.00 1.67 3.38 -1.41 -3.25 115.31 117.53 1zfs h LEU 37 Ca 0.36 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1zfs h LEU 37 Cb -0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1zfs h LEU 37 CO -0.07 1.39 0.00 0.00 0.09 0.00 0.00 178.44 179.85 1zfs n GLN 38 N -3.57 0.47 -0.12 1.13 6.02 -0.97 -0.73 117.38 119.60 1zfs n GLN 38 Ca -0.09 0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 56.65 1zfs n GLN 38 Cb 1.02 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.70 1zfs n GLN 38 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1zfs n THR 39 N -1.02 1.40 -0.04 5.09 5.66 -1.17 -4.61 114.28 119.59 1zfs n THR 39 Ca 0.11 -0.31 -0.05 0.00 -3.05 0.00 0.00 64.05 60.76 1zfs n THR 39 Cb 0.06 -1.89 -0.06 0.00 -1.55 0.00 0.00 70.33 66.89 1zfs n THR 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1zfs n GLU 40 N -4.16 2.30 -0.85 1.09 -0.58 -1.24 -4.69 120.64 112.52 1zfs n GLU 40 Ca -0.47 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.21 1zfs n GLU 40 Cb 0.82 -1.21 0.21 0.00 -0.57 0.00 0.00 31.44 30.69 1zfs n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1zfs n LEU 41 N -2.38 4.57 -0.28 -4.62 7.99 -0.84 -4.68 117.00 116.78 1zfs n LEU 41 Ca -0.14 -3.67 -0.05 0.00 -0.01 0.00 0.00 56.01 52.14 1zfs n LEU 41 Cb 0.76 -0.66 0.06 0.00 -0.11 0.00 0.00 43.42 43.47 1zfs n LEU 41 CO 0.16 1.16 1.13 0.28 -1.51 0.00 0.00 177.39 178.61 1zfs h SER 42 N 1.12 0.94 -0.32 -1.43 0.02 -1.15 -1.45 113.55 111.28 1zfs h SER 42 Ca 0.27 -0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1zfs h SER 42 Cb 1.85 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 1zfs h SER 42 CO 0.50 0.76 -0.42 0.28 -1.14 0.00 0.00 176.83 176.80 1zfs h SER 43 N 1.05 0.95 0.01 3.07 0.02 -1.87 -3.34 113.55 113.43 1zfs h SER 43 Ca 0.27 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1zfs h SER 43 Cb 0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1zfs h SER 43 CO -0.04 1.24 -0.00 -0.26 -1.14 0.00 0.00 176.83 176.62 1zfs h PHE 44 N 0.71 -0.01 -2.06 3.45 -1.00 -1.87 -3.40 116.94 112.76 1zfs h PHE 44 Ca 0.05 -0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.26 1zfs h PHE 44 Cb 1.01 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.48 1zfs h PHE 44 CO 0.06 -0.01 1.12 -0.51 -1.61 0.00 0.00 178.31 177.37 1zfs s LEU 45 N -5.06 3.42 -0.35 1.54 1.43 -0.56 -4.93 118.68 114.17 1zfs s LEU 45 Ca -0.00 -0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 52.01 1zfs s LEU 45 Cb 0.00 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1zfs s LEU 45 CO 0.01 -1.69 2.17 -1.81 0.23 0.00 0.00 176.35 175.25 1zfs s ASP 46 N 4.06 5.21 0.00 2.29 1.01 -1.25 -4.48 116.67 123.50 1zfs s ASP 46 Ca 0.37 1.42 0.00 0.00 0.71 0.00 0.00 52.55 55.05 1zfs s ASP 46 Cb -0.07 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1zfs s ASP 46 CO 0.07 -2.23 0.00 0.55 0.21 0.00 0.00 175.17 173.78 1zfs n VAL 47 N 7.73 0.00 -0.01 -1.27 3.14 -1.26 -4.75 118.33 121.91 1zfs n VAL 47 Ca 0.30 -0.03 -0.00 0.00 -2.96 0.00 0.00 64.34 61.65 1zfs n VAL 47 Cb 0.49 0.43 -0.00 0.00 -1.06 0.00 0.00 33.84 33.70 1zfs n VAL 47 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1zfs h GLN 48 N 0.00 0.00 -0.51 1.45 4.20 -1.86 -3.37 115.11 115.03 1zfs h GLN 48 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1zfs h GLN 48 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1zfs h GLN 48 CO 0.00 0.00 0.24 1.57 -0.67 0.00 0.00 178.83 179.97 1zfs h LYS 49 N -0.20 0.45 -3.70 1.46 -0.00 -1.95 -3.21 116.57 109.42 1zfs h LYS 49 Ca 0.00 -0.03 -0.79 0.00 -0.00 0.00 0.00 60.65 59.84 1zfs h LYS 49 Cb 0.00 -0.10 -0.25 0.00 -0.00 0.00 0.00 32.23 31.88 1zfs h LYS 49 CO 0.00 0.30 0.81 -0.25 -0.00 0.00 0.00 179.45 180.31 1zfs n ASP 50 N -4.91 5.59 0.34 7.07 8.00 -1.26 -4.78 116.55 126.59 1zfs n ASP 50 Ca 0.05 -3.10 0.19 0.00 0.71 0.00 0.00 54.79 52.64 1zfs n ASP 50 Cb 0.15 -1.41 1.04 0.00 -0.02 0.00 0.00 41.12 40.88 1zfs n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zfs h ALA 51 N 6.48 1.16 0.00 2.24 0.00 -1.72 1.41 119.26 128.82 1zfs h ALA 51 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1zfs h ALA 51 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1zfs h ALA 51 CO 1.16 -0.16 -0.13 0.38 0.00 0.00 0.00 179.25 180.51 1zfs h ASP 52 N 0.00 0.00 -0.22 0.00 2.03 -1.90 -2.96 116.42 113.37 1zfs h ASP 52 Ca 0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 1zfs h ASP 52 Cb 0.31 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.80 1zfs h ASP 52 CO 0.00 0.13 -0.12 0.00 -1.03 0.00 0.00 179.24 178.22 1zfs h ALA 53 N 1.87 1.14 0.00 4.15 0.00 0.16 -2.34 119.26 124.24 1zfs h ALA 53 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1zfs h ALA 53 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1zfs h ALA 53 CO 0.02 0.54 -0.45 -0.24 0.00 0.00 0.00 179.25 179.12 1zfs h VAL 54 N 0.56 0.80 -0.37 0.00 3.04 -1.52 -2.33 116.25 116.44 1zfs h VAL 54 Ca 0.10 -2.04 -0.17 0.00 -1.01 0.00 0.00 66.70 63.59 1zfs h VAL 54 Cb 0.53 2.33 -0.00 0.00 -2.01 0.00 0.00 31.29 32.13 1zfs h VAL 54 CO 0.03 0.44 -0.42 -0.78 -1.01 0.00 0.00 177.57 175.83 1zfs h ASP 55 N 0.00 1.00 -0.30 3.17 1.82 -1.38 -1.86 116.42 118.87 1zfs h ASP 55 Ca -0.00 -0.47 -0.16 0.00 -0.39 0.00 0.00 57.03 56.00 1zfs h ASP 55 Cb 1.29 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 1zfs h ASP 55 CO 0.06 1.28 -0.43 0.11 -1.61 0.00 0.00 179.24 178.64 1zfs h LYS 56 N 0.75 0.86 -0.07 0.28 1.57 -1.43 -1.24 116.57 117.29 1zfs h LYS 56 Ca 0.05 -0.48 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 1zfs h LYS 56 Cb 1.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1zfs h LYS 56 CO 0.10 1.12 -0.53 0.82 -0.57 0.00 0.00 179.45 180.39 1zfs h ILE 57 N 0.69 1.36 0.00 1.86 5.03 -1.35 -2.85 117.51 122.25 1zfs h ILE 57 Ca 0.05 -1.81 -0.13 0.00 -0.12 0.00 0.00 64.86 62.85 1zfs h ILE 57 Cb 1.02 1.90 -0.02 0.00 -3.03 0.00 0.00 36.82 36.69 1zfs h ILE 57 CO 0.10 0.53 -0.86 -0.03 -0.68 0.00 0.00 178.15 177.21 1zfs h MET 58 N 0.15 0.00 -1.00 2.37 4.05 -1.28 -3.26 114.93 115.95 1zfs h MET 58 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1zfs h MET 58 Cb 0.98 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.73 1zfs h MET 58 CO 0.08 0.45 0.66 0.87 0.23 0.00 0.00 176.91 179.20 1zfs h LYS 59 N 0.00 1.32 -0.62 0.39 1.79 -0.98 1.23 116.57 119.70 1zfs h LYS 59 Ca -0.06 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1zfs h LYS 59 Cb 1.47 -0.30 -0.03 0.00 -1.58 0.00 0.00 32.23 31.80 1zfs h LYS 59 CO 0.06 0.88 0.37 0.93 -1.08 0.00 0.00 179.45 180.61 1zfs h GLU 60 N 1.36 0.83 0.06 3.15 5.08 -1.58 -0.38 114.58 123.10 1zfs h GLU 60 Ca 0.37 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1zfs h GLU 60 Cb -0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.92 1zfs h GLU 60 CO -0.08 0.58 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.42 1zfs h LEU 61 N 0.85 -0.06 -3.33 1.33 4.07 -0.89 -3.31 115.31 113.97 1zfs h LEU 61 Ca 0.22 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.10 1zfs h LEU 61 Cb -0.04 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 1zfs h LEU 61 CO -0.04 0.17 -0.07 0.47 -1.08 0.00 0.00 178.44 177.89 1zfs n ASP 62 N -3.40 5.41 0.13 -0.43 8.00 0.40 -4.39 116.55 122.27 1zfs n ASP 62 Ca -0.01 -2.49 0.06 0.00 0.71 0.00 0.00 54.79 53.07 1zfs n ASP 62 Cb 0.03 -1.20 0.34 0.00 -0.02 0.00 0.00 41.12 40.26 1zfs n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1zfs n GLU 63 N 1.68 0.08 0.00 -1.24 0.28 -0.16 0.23 120.64 121.52 1zfs n GLU 63 Ca 0.14 0.54 0.13 0.00 -0.16 0.00 0.00 57.16 57.81 1zfs n GLU 63 Cb 0.62 -1.98 0.41 0.00 1.43 0.00 0.00 31.44 31.92 1zfs n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1zfs n ASN 64 N -1.96 0.76 -1.50 -1.84 5.15 -1.26 -4.93 115.26 109.68 1zfs n ASN 64 Ca -0.01 -0.63 -0.11 0.00 -0.60 0.00 0.00 54.58 53.23 1zfs n ASN 64 Cb 0.23 0.09 0.01 0.00 -0.53 0.00 0.00 39.78 39.58 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zfs n GLY 65 N 1.37 0.04 0.17 8.20 0.00 0.64 -4.91 105.19 110.70 1zfs n GLY 65 Ca 0.11 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.26 0.74 0.00 1.61 5.75 -1.26 -4.89 116.55 118.24 1zfs n ASP 66 Ca -0.08 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 1zfs n ASP 66 Cb 0.57 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 1.34 0.29 3.14 6.12 0.00 -1.26 -4.89 105.19 109.93 1zfs n GLY 67 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.59 0.96 0.09 1.61 2.02 -1.26 -3.27 118.70 118.26 1zfs s GLU 68 Ca 0.00 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.35 1zfs s GLU 68 Cb 0.00 -0.96 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 1zfs s GLU 68 CO 0.00 0.24 -0.12 0.08 0.02 0.00 0.00 175.26 175.48 1zfs s VAL 69 N -0.77 3.24 -0.57 2.63 1.01 -1.00 -4.73 120.40 120.21 1zfs s VAL 69 Ca 0.02 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1zfs s VAL 69 Cb -0.07 -2.49 0.21 0.00 0.00 0.00 0.00 36.38 34.03 1zfs s VAL 69 CO 0.01 0.15 0.98 -0.67 0.00 0.00 0.00 175.10 175.57 1zfs n ASP 70 N 0.87 2.61 0.00 3.32 -0.08 -1.26 -2.45 116.55 119.56 1zfs n ASP 70 Ca -0.14 -2.32 0.00 0.00 -1.51 0.00 0.00 54.79 50.82 1zfs n ASP 70 Cb 0.52 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1zfs n ASP 70 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1zfs n PHE 71 N 0.13 0.00 -0.23 -0.67 1.16 -1.26 -4.15 117.46 112.44 1zfs n PHE 71 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 1zfs n PHE 71 Cb 0.62 0.00 0.23 0.00 -1.61 0.00 0.00 39.48 38.72 1zfs n PHE 71 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 1zfs h GLN 72 N 0.00 1.02 -1.00 3.97 3.07 -2.01 -1.03 115.11 119.12 1zfs h GLN 72 Ca 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 58.65 58.69 1zfs h GLN 72 Cb 0.00 -0.23 -0.05 0.00 0.08 0.00 0.00 27.48 27.28 1zfs h GLN 72 CO 0.00 0.68 0.66 0.93 0.09 0.00 0.00 178.83 181.19 1zfs h GLU 73 N 1.05 1.33 -0.06 0.06 5.08 -1.96 -3.07 114.58 117.00 1zfs h GLU 73 Ca 0.28 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1zfs h GLU 73 Cb -0.12 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 28.83 1zfs h GLU 73 CO -0.06 0.88 0.01 0.35 -1.00 0.00 0.00 179.01 179.20 1zfs h PHE 74 N 1.36 0.09 -1.00 4.33 3.57 -1.53 -3.09 116.94 120.67 1zfs h PHE 74 Ca 0.37 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.89 1zfs h PHE 74 Cb -0.15 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 1zfs h PHE 74 CO 0.00 0.28 0.66 -0.24 -2.23 0.00 0.00 178.31 176.78 1zfs h VAL 75 N -0.13 1.18 -0.23 1.41 3.04 -1.37 -2.32 116.25 117.84 1zfs h VAL 75 Ca 0.02 -0.43 -0.11 0.00 -1.01 0.00 0.00 66.70 65.16 1zfs h VAL 75 Cb 0.24 -0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.30 1zfs h VAL 75 CO 0.00 0.23 -0.33 -0.37 -1.01 0.00 0.00 177.57 176.09 1zfs h VAL 76 N 1.27 1.29 0.68 1.51 -1.51 -1.57 -1.77 116.25 116.15 1zfs h VAL 76 Ca 0.40 -1.43 -0.03 0.00 -1.23 0.00 0.00 66.70 64.41 1zfs h VAL 76 Cb -0.00 1.48 0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1zfs h VAL 76 CO -0.12 0.45 -0.33 0.25 -1.23 0.00 0.00 177.57 176.59 1zfs h LEU 77 N 0.41 -0.78 -1.25 4.19 5.85 -1.34 -2.78 115.31 119.62 1zfs h LEU 77 Ca 0.05 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1zfs h LEU 77 Cb 0.78 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1zfs h LEU 77 CO 0.06 -0.45 -0.13 -0.37 -0.34 0.00 0.00 178.44 177.20 1zfs h VAL 78 N -1.09 0.34 -0.01 1.05 -1.51 -1.60 -2.96 116.25 110.47 1zfs h VAL 78 Ca -0.09 -0.87 -0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1zfs h VAL 78 Cb 0.74 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1zfs h VAL 78 CO 0.15 0.13 -0.01 0.00 -1.23 0.00 0.00 177.57 176.62 1zfs h ALA 79 N 1.87 0.02 -0.31 5.19 0.00 -1.25 -2.64 119.26 122.13 1zfs h ALA 79 Ca -0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1zfs h ALA 79 Cb 0.65 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1zfs h ALA 79 CO 0.02 -0.26 -0.34 0.00 0.00 0.00 0.00 179.25 178.67 1zfs h ALA 80 N 0.58 0.46 -0.19 0.00 0.00 -1.48 -2.64 119.26 116.00 1zfs h ALA 80 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1zfs h ALA 80 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1zfs h ALA 80 CO 0.00 0.52 -0.01 -0.07 0.00 0.00 0.00 179.25 179.69 1zfs h LEU 81 N 0.54 0.34 -0.55 0.00 4.07 -1.60 -2.52 115.31 115.60 1zfs h LEU 81 Ca 0.05 -0.33 -0.10 0.00 0.08 0.00 0.00 57.88 57.58 1zfs h LEU 81 Cb 0.92 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 1zfs h LEU 81 CO 0.08 0.58 -0.04 0.74 -1.08 0.00 0.00 178.44 178.72 1zfs h THR 82 N 0.08 1.27 -0.73 0.22 2.02 -1.55 -2.82 112.91 111.39 1zfs h THR 82 Ca 0.05 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1zfs h THR 82 Cb 0.42 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1zfs h THR 82 CO 0.01 0.42 0.42 0.58 0.37 0.00 0.00 175.52 177.32 1zfs h VAL 83 N 0.87 1.22 -0.88 3.16 2.07 -1.47 -2.35 116.25 118.87 1zfs h VAL 83 Ca 0.15 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1zfs h VAL 83 Cb 0.59 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1zfs h VAL 83 CO 0.04 0.23 0.57 0.00 0.02 0.00 0.00 177.57 178.43 1zfs h ALA 84 N 1.22 1.12 -0.70 1.67 0.00 -1.31 -2.60 119.26 118.66 1zfs h ALA 84 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zfs h ALA 84 Cb -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1zfs h ALA 84 CO -0.05 0.54 0.41 0.00 0.00 0.00 0.00 179.25 180.15 1zfs h ASN 86 N 0.96 1.16 -0.81 0.00 -1.24 -1.21 -1.46 115.58 112.98 1zfs h ASN 86 Ca 0.25 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1zfs h ASN 86 Cb -0.01 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 38.71 1zfs h ASN 86 CO -0.04 0.85 0.48 -1.13 -1.29 0.00 0.00 177.43 176.30 1zfs h ASN 87 N 1.36 0.98 -0.90 1.15 -1.24 -1.17 -1.33 115.58 114.43 1zfs h ASN 87 Ca 0.36 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.32 1zfs h ASN 87 Cb -0.14 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.62 1zfs h ASN 87 CO -0.08 0.76 0.59 0.15 -1.29 0.00 0.00 177.43 177.56 1zfs h PHE 88 N 1.13 1.14 -0.28 0.67 3.57 -0.77 0.87 116.94 123.28 1zfs h PHE 88 Ca 0.29 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.66 1zfs h PHE 88 Cb -0.03 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.31 1zfs h PHE 88 CO 0.01 0.73 -0.44 0.74 -2.23 0.00 0.00 178.31 177.12 1zfs h PHE 89 N 1.23 0.84 -0.03 0.41 0.04 -1.13 -2.68 116.94 115.63 1zfs h PHE 89 Ca 0.33 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1zfs h PHE 89 Cb -0.13 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 37.85 1zfs h PHE 89 CO -0.01 1.01 0.00 0.91 -0.60 0.00 0.00 178.31 179.62 1zfs n TRP 90 N -4.02 0.02 -0.35 -0.55 7.02 -0.56 -3.93 117.44 115.06 1zfs n TRP 90 Ca -0.02 -0.01 -0.03 0.00 -1.02 0.00 0.00 57.50 56.42 1zfs n TRP 90 Cb 0.55 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.54 1zfs n TRP 90 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1zfs h GLU 91 N 1.52 1.24 -0.00 -0.99 4.57 0.11 0.03 114.58 121.07 1zfs h GLU 91 Ca 0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1zfs h GLU 91 Cb 0.33 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1zfs h GLU 91 CO 0.00 0.82 -0.16 0.09 -1.18 0.00 0.00 179.01 178.58 1zfs n ASN 92 N -4.42 0.42 0.00 1.04 3.02 -1.25 -5.10 115.26 108.97 1zfs n ASN 92 Ca 0.11 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1zfs n ASN 92 Cb 0.02 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1zfs n ASN 92 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44