#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 0.59 -0.06 1.61 2.88 -1.26 -4.48 113.62 112.90 1zfs n SER 2 Ca 0.00 0.10 -0.06 0.00 -1.33 0.00 0.00 58.87 57.58 1zfs n SER 2 Cb 0.00 -0.50 -0.04 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 -0.27 0.00 -0.41 -1.46 5.08 -2.05 -2.73 114.58 112.73 1zfs h GLU 3 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1zfs h GLU 3 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1zfs h GLU 3 CO 0.00 0.32 0.25 1.25 -1.00 0.00 0.00 179.01 179.82 1zfs h LEU 4 N -1.00 0.49 -0.81 1.33 6.46 -2.00 -1.32 115.31 118.47 1zfs h LEU 4 Ca -0.03 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1zfs h LEU 4 Cb 0.43 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 1zfs h LEU 4 CO -0.02 0.40 0.33 -0.08 -0.62 0.00 0.00 178.44 178.45 1zfs h GLU 5 N 0.54 1.20 0.00 1.25 4.81 -1.79 0.04 114.58 120.64 1zfs h GLU 5 Ca 0.15 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1zfs h GLU 5 Cb 0.00 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1zfs h GLU 5 CO -0.03 0.97 -0.02 1.15 -0.73 0.00 0.00 179.01 180.35 1zfs h THR 6 N 1.17 0.12 -0.38 0.32 2.02 -1.10 -2.21 112.91 112.85 1zfs h THR 6 Ca 0.27 -0.23 -0.15 0.00 0.77 0.00 0.00 66.41 67.07 1zfs h THR 6 Cb 0.21 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1zfs h THR 6 CO -0.02 0.02 -0.37 0.00 0.37 0.00 0.00 175.52 175.52 1zfs h ALA 7 N 1.98 0.63 0.16 6.16 0.00 0.16 -2.13 119.26 126.22 1zfs h ALA 7 Ca -0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 1zfs h ALA 7 Cb 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1zfs h ALA 7 CO 0.00 0.67 -1.39 0.52 0.00 0.00 0.00 179.25 179.05 1zfs h MET 8 N 0.73 0.34 -0.16 0.00 2.86 -1.37 -3.16 114.93 114.17 1zfs h MET 8 Ca 0.06 -0.57 -0.13 0.00 -2.06 0.00 0.00 59.70 57.00 1zfs h MET 8 Cb 0.95 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1zfs h MET 8 CO 0.09 1.25 -0.46 0.93 1.06 0.00 0.00 176.91 179.79 1zfs h GLU 9 N 0.09 0.39 -0.02 1.72 4.39 -1.53 -2.55 114.58 117.07 1zfs h GLU 9 Ca -0.20 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.17 1zfs h GLU 9 Cb 2.04 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.70 1zfs h GLU 9 CO 0.21 0.77 -0.49 0.00 -1.16 0.00 0.00 179.01 178.33 1zfs h THR 10 N 0.31 1.45 0.00 1.13 1.03 -1.48 -2.26 112.91 113.09 1zfs h THR 10 Ca 0.02 -2.00 -0.11 0.00 -0.01 0.00 0.00 66.41 64.32 1zfs h THR 10 Cb 0.93 2.57 -0.02 0.00 -1.07 0.00 0.00 68.15 70.56 1zfs h THR 10 CO 0.08 0.57 -0.52 0.17 -0.01 0.00 0.00 175.52 175.81 1zfs h LEU 11 N -0.17 0.00 -0.43 0.00 8.10 -1.61 -2.31 115.31 118.89 1zfs h LEU 11 Ca -0.06 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.77 1zfs h LEU 11 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.42 1zfs h LEU 11 CO 0.10 0.52 -0.42 0.40 -4.11 0.00 0.00 178.44 174.93 1zfs h ILE 12 N 0.00 1.28 -0.33 0.15 2.04 -1.50 -0.76 117.51 118.38 1zfs h ILE 12 Ca -0.01 -1.59 -0.15 0.00 1.00 0.00 0.00 64.86 64.11 1zfs h ILE 12 Cb 1.03 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1zfs h ILE 12 CO 0.07 0.53 -0.37 0.78 0.00 0.00 0.00 178.15 179.15 1zfs h ASN 13 N 0.70 0.91 0.85 1.72 2.35 -1.27 -2.15 115.58 118.68 1zfs h ASN 13 Ca 0.05 -0.48 -0.11 0.00 -0.55 0.00 0.00 56.30 55.21 1zfs h ASN 13 Cb 1.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1zfs h ASN 13 CO 0.10 1.20 -0.54 0.58 -1.65 0.00 0.00 177.43 177.12 1zfs h VAL 14 N 0.63 1.16 -0.75 2.81 2.07 -1.44 0.30 116.25 121.03 1zfs h VAL 14 Ca 0.05 -1.99 -0.06 0.00 0.82 0.00 0.00 66.70 65.51 1zfs h VAL 14 Cb 0.96 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1zfs h VAL 14 CO 0.09 0.52 0.23 -0.26 0.02 0.00 0.00 177.57 178.17 1zfs h PHE 15 N 0.00 1.21 0.00 1.57 -1.00 -0.91 -1.45 116.94 116.37 1zfs h PHE 15 Ca -0.01 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1zfs h PHE 15 Cb 1.10 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1zfs h PHE 15 CO 0.00 0.96 -0.31 0.72 -1.61 0.00 0.00 178.31 178.07 1zfs n HIS 16 N -4.25 0.06 0.05 -0.55 8.25 -0.83 -1.91 115.22 116.05 1zfs n HIS 16 Ca 0.06 0.02 -0.20 0.00 -0.26 0.00 0.00 57.72 57.33 1zfs n HIS 16 Cb 0.23 -0.39 -0.11 0.00 1.12 0.00 0.00 29.99 30.85 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 2.96 0.11 0.00 -1.41 0.00 0.14 -3.30 119.26 117.76 1zfs h ALA 17 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 1zfs h ALA 17 Cb 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1zfs h ALA 17 CO 0.00 0.69 -1.93 0.72 0.00 0.00 0.00 179.25 178.73 1zfs n HIS 18 N -3.84 0.00 0.07 0.00 8.25 -1.03 -4.11 115.22 114.56 1zfs n HIS 18 Ca -0.11 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.33 1zfs n HIS 18 Cb 0.90 -0.51 0.25 0.00 1.12 0.00 0.00 29.99 31.75 1zfs n HIS 18 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1zfs h SER 19 N 0.00 0.31 -0.16 0.41 0.02 -1.53 -2.66 113.55 109.95 1zfs h SER 19 Ca -0.08 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1zfs h SER 19 Cb 1.07 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1zfs h SER 19 CO 0.00 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 1zfs n GLY 20 N -0.37 0.92 0.18 -3.77 0.00 -1.24 -3.51 105.19 97.40 1zfs n GLY 20 Ca -0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 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 3.79 0.20 -0.01 1.61 3.64 -1.62 -2.82 116.57 121.35 1zfs h LYS 21 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1zfs h LYS 21 Cb 0.82 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1zfs h LYS 21 CO 0.00 0.64 -0.53 0.39 -2.27 0.00 0.00 179.45 177.69 1zfs n GLU 22 N -3.96 0.50 0.00 1.90 1.02 -1.26 -4.93 120.64 113.90 1zfs n GLU 22 Ca -0.02 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1zfs n GLU 22 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.44 2.10 2.32 0.62 0.00 -1.07 -4.92 105.19 105.68 1zfs n GLY 23 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 7.40 0.00 1.61 -0.08 -1.25 -4.52 116.55 119.71 1zfs n ASP 24 Ca 0.00 -2.83 0.12 0.00 -1.51 0.00 0.00 54.79 50.57 1zfs n ASP 24 Cb 0.00 -1.41 0.60 0.00 2.34 0.00 0.00 41.12 42.64 1zfs n ASP 24 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1zfs n LYS 25 N 2.33 0.24 0.07 -0.67 2.85 -1.23 -2.78 118.16 118.97 1zfs n LYS 25 Ca 0.61 0.06 0.12 0.00 -1.05 0.00 0.00 58.31 58.05 1zfs n LYS 25 Cb 0.44 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.61 1zfs n LYS 25 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1zfs n TYR 26 N -1.36 0.64 -3.42 5.58 4.01 -1.26 -4.90 117.16 116.44 1zfs n TYR 26 Ca 0.10 0.18 -0.12 0.00 -0.16 0.00 0.00 57.90 57.90 1zfs n TYR 26 Cb 0.23 -0.73 -0.02 0.00 -0.31 0.00 0.00 39.34 38.51 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 -3.12 1.28 0.63 -0.72 2.20 -1.12 -5.10 119.74 113.78 1zfs s LYS 27 Ca 0.09 -0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 55.14 1zfs s LYS 27 Cb 0.14 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 37.05 1zfs s LYS 27 CO 0.66 -0.56 0.98 -1.17 -0.36 0.00 0.00 175.35 174.90 1zfs s LEU 28 N -2.75 3.14 0.20 5.43 2.96 -0.97 -4.79 118.68 121.90 1zfs s LEU 28 Ca 0.01 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 1zfs s LEU 28 Cb -0.01 -3.78 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 1zfs s LEU 28 CO -0.13 -1.12 0.07 -0.94 -1.32 0.00 0.00 176.35 172.92 1zfs s SER 29 N -4.30 0.80 0.25 3.68 1.04 -1.26 -1.78 113.70 112.13 1zfs s SER 29 Ca 0.55 -1.30 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 1zfs s SER 29 Cb -0.11 0.23 0.27 0.00 0.10 0.00 0.00 66.02 66.51 1zfs s SER 29 CO 0.48 -0.72 1.93 0.50 0.98 0.00 0.00 173.24 176.42 1zfs h LYS 30 N 2.60 1.32 0.00 4.02 3.64 -1.96 -2.55 116.57 123.64 1zfs h LYS 30 Ca -0.37 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 58.76 1zfs h LYS 30 Cb 1.23 -0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1zfs h LYS 30 CO 0.59 0.87 -0.81 -0.22 -2.27 0.00 0.00 179.45 177.61 1zfs h LYS 31 N 1.35 0.00 -0.18 1.90 1.63 -1.97 -3.00 116.57 116.31 1zfs h LYS 31 Ca 0.37 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.13 1zfs h LYS 31 Cb -0.16 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1zfs h LYS 31 CO -0.08 0.81 -0.04 0.93 -3.45 0.00 0.00 179.45 177.62 1zfs h GLU 32 N 0.00 0.35 -0.22 1.90 5.08 -1.81 -2.86 114.58 117.01 1zfs h GLU 32 Ca -0.01 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1zfs h GLU 32 Cb 1.43 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1zfs h GLU 32 CO 0.11 0.61 -0.42 1.37 -1.00 0.00 0.00 179.01 179.67 1zfs h LEU 33 N 0.07 0.58 -1.02 1.33 8.10 -1.54 -2.99 115.31 119.84 1zfs h LEU 33 Ca 0.05 -0.26 0.01 0.00 0.11 0.00 0.00 57.88 57.78 1zfs h LEU 33 Cb 0.48 -0.16 -0.05 0.00 -0.44 0.00 0.00 40.66 40.49 1zfs h LEU 33 CO 0.02 0.93 0.65 0.50 -4.11 0.00 0.00 178.44 176.43 1zfs h LYS 34 N 0.44 1.31 -0.81 0.17 3.64 -1.51 -2.14 116.57 117.68 1zfs h LYS 34 Ca 0.03 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1zfs h LYS 34 Cb 0.93 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1zfs h LYS 34 CO 0.08 0.87 0.39 0.22 -2.27 0.00 0.00 179.45 178.75 1zfs h ASP 35 N 1.35 1.05 -0.49 4.20 1.82 -1.35 -2.38 116.42 120.60 1zfs h ASP 35 Ca 0.36 -0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.77 1zfs h ASP 35 Cb -0.15 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.58 1zfs h ASP 35 CO -0.08 0.88 -0.10 -0.07 -1.61 0.00 0.00 179.24 178.26 1zfs h LEU 36 N 1.15 0.97 0.10 2.28 3.38 -1.34 -2.74 115.31 119.10 1zfs h LEU 36 Ca 0.28 -0.31 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1zfs h LEU 36 Cb 0.11 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.62 1zfs h LEU 36 CO -0.04 1.08 -0.88 -0.07 0.09 0.00 0.00 178.44 178.62 1zfs h LEU 37 N 0.86 0.61 -1.97 1.67 3.38 -1.35 -2.85 115.31 115.67 1zfs h LEU 37 Ca 0.14 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1zfs h LEU 37 Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1zfs h LEU 37 CO 0.05 1.41 0.00 0.06 0.09 0.00 0.00 178.44 180.04 1zfs h GLN 38 N -0.11 0.00 0.03 1.13 -0.00 -1.49 1.27 115.11 115.93 1zfs h GLN 38 Ca -0.14 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.15 1zfs h GLN 38 Cb 1.63 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 29.06 1zfs h GLN 38 CO 0.17 0.00 -2.07 -2.37 -0.00 0.00 0.00 178.83 174.56 1zfs n THR 39 N -2.96 1.59 -0.07 1.86 5.66 -1.03 -4.37 114.28 114.96 1zfs n THR 39 Ca -0.01 -0.40 -0.08 0.00 -3.05 0.00 0.00 64.05 60.51 1zfs n THR 39 Cb 0.19 -1.78 -0.08 0.00 -1.55 0.00 0.00 70.33 67.11 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 -3.88 1.35 -0.69 1.09 1.02 -1.07 -4.67 120.64 113.79 1zfs n GLU 40 Ca -0.41 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 56.75 1zfs n GLU 40 Cb 0.90 -1.30 0.21 0.00 -0.02 0.00 0.00 31.44 31.23 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 -2.65 4.04 -0.07 -4.62 4.32 0.21 -4.72 117.00 113.51 1zfs n LEU 41 Ca -0.22 -3.54 -0.09 0.00 -0.02 0.00 0.00 56.01 52.14 1zfs n LEU 41 Cb 0.84 -0.61 -0.02 0.00 -1.62 0.00 0.00 43.42 42.01 1zfs n LEU 41 CO 0.21 1.07 0.98 -1.28 -1.22 0.00 0.00 177.39 177.15 1zfs h SER 42 N 1.18 0.31 -0.91 -1.43 0.87 0.13 -0.02 113.55 113.68 1zfs h SER 42 Ca 0.16 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1zfs h SER 42 Cb 1.60 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.44 1zfs h SER 42 CO 0.34 0.22 0.50 0.28 -0.53 0.00 0.00 176.83 177.65 1zfs h SER 43 N 0.36 1.13 0.00 6.23 0.02 -1.85 -3.28 113.55 116.17 1zfs h SER 43 Ca 0.10 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1zfs h SER 43 Cb -0.04 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.21 1zfs h SER 43 CO -0.02 0.90 -0.00 -0.26 -1.14 0.00 0.00 176.83 176.31 1zfs h PHE 44 N 1.27 -0.00 -2.37 3.45 -1.00 -1.84 -3.41 116.94 113.03 1zfs h PHE 44 Ca 0.32 -0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.51 1zfs h PHE 44 Cb 0.02 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.46 1zfs h PHE 44 CO 0.01 -0.00 0.87 -0.51 -1.61 0.00 0.00 178.31 177.07 1zfs s LEU 45 N -4.02 3.83 0.38 1.54 1.02 -0.05 -4.99 118.68 116.40 1zfs s LEU 45 Ca -0.00 -0.87 -0.28 0.00 0.02 0.00 0.00 54.13 53.00 1zfs s LEU 45 Cb 0.00 -2.49 -0.11 0.00 0.02 0.00 0.00 46.19 43.61 1zfs s LEU 45 CO 0.00 -1.59 1.50 -1.81 0.02 0.00 0.00 176.35 174.47 1zfs s ASP 46 N 3.82 6.31 0.19 2.29 1.01 -1.23 -4.36 116.67 124.70 1zfs s ASP 46 Ca 0.30 3.07 0.00 0.00 0.71 0.00 0.00 52.55 56.64 1zfs s ASP 46 Cb -0.11 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1zfs s ASP 46 CO 0.09 -0.90 0.00 0.55 0.21 0.00 0.00 175.17 175.12 1zfs n VAL 47 N 0.43 0.00 -0.26 -1.27 3.14 -1.26 -4.76 118.33 114.34 1zfs n VAL 47 Ca 0.01 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.34 1zfs n VAL 47 Cb 0.39 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.23 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 0.96 -0.25 1.45 -0.00 -1.91 -2.50 115.11 112.85 1zfs h GLN 48 Ca 0.00 -0.06 -0.19 0.00 -0.00 0.00 0.00 58.65 58.40 1zfs h GLN 48 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 27.48 27.27 1zfs h GLN 48 CO 0.00 0.63 -0.60 1.57 -0.00 0.00 0.00 178.83 180.43 1zfs h LYS 49 N 0.98 0.85 -3.54 0.06 2.10 -1.96 -3.36 116.57 111.69 1zfs h LYS 49 Ca 0.27 -0.58 -0.74 0.00 -2.00 0.00 0.00 60.65 57.60 1zfs h LYS 49 Cb -0.11 0.09 -0.32 0.00 -0.90 0.00 0.00 32.23 30.99 1zfs h LYS 49 CO -0.06 1.21 -0.02 -0.51 -2.00 0.00 0.00 179.45 178.06 1zfs s ASP 50 N -6.97 6.21 0.66 7.07 1.01 -0.95 -4.87 116.67 118.82 1zfs s ASP 50 Ca -0.11 -3.24 0.41 0.00 0.71 0.00 0.00 52.55 50.32 1zfs s ASP 50 Cb 0.09 -2.02 2.24 0.00 1.01 0.00 0.00 42.92 44.25 1zfs s ASP 50 CO 0.89 -0.34 2.30 0.00 0.21 0.00 0.00 175.17 178.23 1zfs h ALA 51 N 6.79 1.14 0.00 5.23 0.00 -1.69 0.65 119.26 131.38 1zfs h ALA 51 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1zfs h ALA 51 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1zfs h ALA 51 CO 0.82 -0.05 0.00 0.38 0.00 0.00 0.00 179.25 180.40 1zfs h ASP 52 N 0.00 0.00 -0.01 0.00 2.03 -1.89 -3.00 116.42 113.55 1zfs h ASP 52 Ca 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 1zfs h ASP 52 Cb 0.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1zfs h ASP 52 CO -0.00 0.00 -0.33 0.00 -1.03 0.00 0.00 179.24 177.88 1zfs h ALA 53 N 2.01 1.00 0.00 4.15 0.00 0.01 -2.41 119.26 124.02 1zfs h ALA 53 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1zfs h ALA 53 Cb 0.86 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1zfs h ALA 53 CO 0.00 0.60 -0.62 -0.24 0.00 0.00 0.00 179.25 178.99 1zfs h VAL 54 N 0.42 1.21 -0.52 0.00 3.04 -1.52 -2.17 116.25 116.70 1zfs h VAL 54 Ca 0.05 -2.33 -0.12 0.00 -1.01 0.00 0.00 66.70 63.29 1zfs h VAL 54 Cb 0.78 2.34 -0.02 0.00 -2.01 0.00 0.00 31.29 32.39 1zfs h VAL 54 CO 0.06 0.61 -0.15 0.44 -1.01 0.00 0.00 177.57 177.52 1zfs h ASP 55 N 0.00 1.04 -0.38 3.17 3.32 -1.42 -2.29 116.42 119.86 1zfs h ASP 55 Ca -0.01 -0.37 -0.16 0.00 0.02 0.00 0.00 57.03 56.52 1zfs h ASP 55 Cb 1.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1zfs h ASP 55 CO 0.08 1.17 -0.39 0.11 -1.72 0.00 0.00 179.24 178.48 1zfs h LYS 56 N 0.90 0.93 -0.90 3.56 1.57 -1.40 -1.82 116.57 119.41 1zfs h LYS 56 Ca 0.13 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1zfs h LYS 56 Cb 0.72 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 1zfs h LYS 56 CO 0.06 1.15 0.51 0.97 -0.57 0.00 0.00 179.45 181.57 1zfs h ILE 57 N 0.75 1.25 0.00 1.86 2.10 -1.28 -1.22 117.51 120.98 1zfs h ILE 57 Ca 0.06 -0.61 -0.14 0.00 1.08 0.00 0.00 64.86 65.25 1zfs h ILE 57 Cb 0.99 0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 1zfs h ILE 57 CO 0.10 0.28 -0.68 0.24 -1.08 0.00 0.00 178.15 177.01 1zfs h MET 58 N 1.25 0.00 -0.92 2.19 2.86 -1.31 -3.18 114.93 115.82 1zfs h MET 58 Ca 0.32 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 58.14 1zfs h MET 58 Cb 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.55 1zfs h MET 58 CO -0.05 0.68 0.49 -0.22 1.06 0.00 0.00 176.91 178.86 1zfs h LYS 59 N 0.00 0.60 -0.00 1.72 3.64 -0.33 0.40 116.57 122.60 1zfs h LYS 59 Ca -0.01 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1zfs h LYS 59 Cb 1.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1zfs h LYS 59 CO 0.09 0.40 -0.62 0.93 -2.27 0.00 0.00 179.45 177.98 1zfs h GLU 60 N 0.62 0.01 0.00 1.90 5.08 -1.52 -3.37 114.58 117.29 1zfs h GLU 60 Ca 0.53 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1zfs h GLU 60 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1zfs h GLU 60 CO -0.41 0.62 0.00 1.28 -1.00 0.00 0.00 179.01 179.50 1zfs n LEU 61 N -3.81 0.00 -2.94 1.33 4.32 0.14 -4.63 117.00 111.42 1zfs n LEU 61 Ca -0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.90 1zfs n LEU 61 Cb 0.62 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.40 1zfs n LEU 61 CO 0.42 -0.32 1.38 -0.67 -1.22 0.00 0.00 177.39 176.98 1zfs n ASP 62 N -0.14 1.78 -1.47 -1.43 -0.08 -1.26 -4.52 116.55 109.43 1zfs n ASP 62 Ca 0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 54.79 51.23 1zfs n ASP 62 Cb 0.00 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1zfs n ASP 62 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1zfs n GLU 63 N 4.35 0.71 0.00 -0.67 2.13 -1.26 -3.36 120.64 122.55 1zfs n GLU 63 Ca 0.16 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.12 1zfs n GLU 63 Cb 0.08 -1.14 0.55 0.00 0.27 0.00 0.00 31.44 31.20 1zfs n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1zfs n ASN 64 N 1.38 0.59 0.00 4.31 2.85 -1.26 -4.82 115.26 118.30 1zfs n ASN 64 Ca 0.00 -0.62 0.00 0.00 -0.11 0.00 0.00 54.58 53.85 1zfs n ASN 64 Cb 0.36 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.35 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1zfs n GLY 65 N 1.30 1.35 0.18 8.20 0.00 -1.21 -5.01 105.19 109.99 1zfs n GLY 65 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1zfs n GLY 65 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1zfs h ASP 66 N 0.00 0.59 0.00 1.61 3.58 -1.87 -3.45 116.42 116.87 1zfs h ASP 66 Ca 0.00 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1zfs h ASP 66 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1zfs h ASP 66 CO 0.00 0.96 0.00 0.61 -2.88 0.00 0.00 179.24 177.93 1zfs n GLY 67 N 0.22 1.67 3.17 -0.78 0.00 -1.26 -4.91 105.19 103.29 1zfs n GLY 67 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.08 2.48 0.02 1.61 2.02 -1.26 -3.32 118.70 120.16 1zfs s GLU 68 Ca 0.00 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.17 1zfs s GLU 68 Cb 0.00 -1.96 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 1zfs s GLU 68 CO 0.00 0.18 0.32 0.08 0.02 0.00 0.00 175.26 175.85 1zfs s VAL 69 N 0.32 5.22 -0.10 2.63 1.01 -0.73 -4.80 120.40 123.94 1zfs s VAL 69 Ca -0.14 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1zfs s VAL 69 Cb -0.16 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1zfs s VAL 69 CO 0.06 0.40 1.16 -0.67 0.00 0.00 0.00 175.10 176.05 1zfs n ASP 70 N 1.24 3.11 0.00 3.32 -0.08 -1.26 -2.29 116.55 120.59 1zfs n ASP 70 Ca -0.12 -2.30 0.00 0.00 -1.51 0.00 0.00 54.79 50.87 1zfs n ASP 70 Cb 0.53 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.43 1zfs n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1zfs n PHE 71 N 0.19 0.00 -0.34 -0.67 3.72 -1.26 -4.10 117.46 115.00 1zfs n PHE 71 Ca 0.11 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.50 1zfs n PHE 71 Cb 0.71 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.39 1zfs n PHE 71 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1zfs h GLN 72 N 0.00 1.25 -1.01 -1.08 4.15 -2.01 -2.02 115.11 114.40 1zfs h GLN 72 Ca 0.00 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.35 1zfs h GLN 72 Cb 0.00 -0.28 -0.05 0.00 0.21 0.00 0.00 27.48 27.36 1zfs h GLN 72 CO 0.00 0.83 0.67 0.93 -1.93 0.00 0.00 178.83 179.32 1zfs h GLU 73 N 1.28 1.32 -0.09 1.69 5.08 -1.95 -3.06 114.58 118.87 1zfs h GLU 73 Ca 0.35 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1zfs h GLU 73 Cb -0.15 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 28.80 1zfs h GLU 73 CO -0.07 0.88 -0.09 0.35 -1.00 0.00 0.00 179.01 179.07 1zfs h PHE 74 N 1.36 0.26 -1.01 4.33 3.57 -1.71 -3.03 116.94 120.71 1zfs h PHE 74 Ca 0.37 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1zfs h PHE 74 Cb -0.16 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1zfs h PHE 74 CO -0.00 0.65 0.67 -0.24 -2.23 0.00 0.00 178.31 177.16 1zfs h VAL 75 N -0.21 1.26 -0.37 1.41 3.04 -1.42 -2.59 116.25 117.37 1zfs h VAL 75 Ca 0.01 -0.47 -0.17 0.00 -1.01 0.00 0.00 66.70 65.07 1zfs h VAL 75 Cb 0.61 -0.23 -0.00 0.00 -2.01 0.00 0.00 31.29 29.65 1zfs h VAL 75 CO 0.02 0.25 -0.41 0.58 -1.01 0.00 0.00 177.57 177.00 1zfs h VAL 76 N 1.37 1.27 0.53 1.51 2.07 -1.61 -1.26 116.25 120.13 1zfs h VAL 76 Ca 0.37 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1zfs h VAL 76 Cb -0.16 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1zfs h VAL 76 CO -0.08 0.53 -0.25 0.25 0.02 0.00 0.00 177.57 178.04 1zfs h LEU 77 N 0.76 -0.60 -1.11 2.57 7.12 -1.36 -2.94 115.31 119.75 1zfs h LEU 77 Ca 0.05 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1zfs h LEU 77 Cb 1.01 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1zfs h LEU 77 CO 0.10 -0.29 -0.06 -0.37 -0.13 0.00 0.00 178.44 177.69 1zfs h VAL 78 N -0.93 0.14 0.29 1.05 -1.51 -1.58 -3.11 116.25 110.61 1zfs h VAL 78 Ca -0.07 -0.76 -0.01 0.00 -1.23 0.00 0.00 66.70 64.62 1zfs h VAL 78 Cb 0.62 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1zfs h VAL 78 CO 0.12 0.06 -0.14 0.00 -1.23 0.00 0.00 177.57 176.38 1zfs h ALA 79 N 1.94 -0.40 -0.86 5.19 0.00 -1.16 -2.81 119.26 121.17 1zfs h ALA 79 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1zfs h ALA 79 Cb 0.66 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1zfs h ALA 79 CO 0.01 -0.54 0.42 0.00 0.00 0.00 0.00 179.25 179.14 1zfs h ALA 80 N -0.22 1.12 -0.75 0.00 0.00 -1.56 -2.58 119.26 115.28 1zfs h ALA 80 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1zfs h ALA 80 Cb 0.50 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1zfs h ALA 80 CO 0.07 0.67 0.42 -0.07 0.00 0.00 0.00 179.25 180.34 1zfs h LEU 81 N 1.23 0.93 -0.48 0.00 3.38 -1.56 -2.48 115.31 116.33 1zfs h LEU 81 Ca 0.30 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 1zfs h LEU 81 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1zfs h LEU 81 CO -0.04 0.75 -0.33 0.74 0.09 0.00 0.00 178.44 179.64 1zfs h THR 82 N 1.03 1.27 -0.77 0.22 2.02 -1.32 -3.11 112.91 112.26 1zfs h THR 82 Ca 0.27 -1.50 0.01 0.00 0.77 0.00 0.00 66.41 65.95 1zfs h THR 82 Cb 0.01 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1zfs h THR 82 CO -0.04 0.50 0.50 0.58 0.37 0.00 0.00 175.52 177.43 1zfs h VAL 83 N 0.75 1.20 -0.71 3.16 2.07 -1.22 -2.04 116.25 119.46 1zfs h VAL 83 Ca 0.07 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1zfs h VAL 83 Cb 0.91 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1zfs h VAL 83 CO 0.08 0.20 0.47 0.00 0.02 0.00 0.00 177.57 178.34 1zfs h ALA 84 N 1.28 1.50 -0.89 1.67 0.00 -1.39 -1.89 119.26 119.54 1zfs h ALA 84 Ca 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1zfs h ALA 84 Cb -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.35 1zfs h ALA 84 CO -0.06 0.46 0.59 0.00 0.00 0.00 0.00 179.25 180.24 1zfs h ASN 86 N 1.19 1.07 -0.65 0.00 -0.73 -1.25 -2.24 115.58 112.98 1zfs h ASN 86 Ca 0.33 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.38 1zfs h ASN 86 Cb -0.11 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.19 1zfs h ASN 86 CO -0.08 0.78 0.06 0.78 -0.37 0.00 0.00 177.43 178.59 1zfs h ASN 87 N 1.26 1.07 -0.34 1.15 2.35 -1.26 -2.55 115.58 117.25 1zfs h ASN 87 Ca 0.34 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1zfs h ASN 87 Cb -0.14 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 37.92 1zfs h ASN 87 CO -0.07 1.09 0.08 -0.26 -1.65 0.00 0.00 177.43 176.62 1zfs h PHE 88 N 1.02 0.64 0.00 1.19 0.04 -1.10 -1.34 116.94 117.39 1zfs h PHE 88 Ca 0.19 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1zfs h PHE 88 Cb 0.50 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 1zfs h PHE 88 CO 0.04 0.56 -0.13 0.35 -0.60 0.00 0.00 178.31 178.53 1zfs h PHE 89 N 0.61 0.00 -0.66 -0.55 3.57 -1.03 -2.86 116.94 116.03 1zfs h PHE 89 Ca 0.14 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1zfs h PHE 89 Cb 0.26 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1zfs h PHE 89 CO 0.01 0.13 0.23 2.35 -2.23 0.00 0.00 178.31 178.80 1zfs h TRP 90 N 0.00 1.04 -0.67 0.41 2.91 -0.93 -1.22 115.95 117.48 1zfs h TRP 90 Ca -0.00 -0.09 -0.08 0.00 1.13 0.00 0.00 58.89 59.84 1zfs h TRP 90 Cb 0.56 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 1zfs h TRP 90 CO 0.00 0.83 0.09 0.93 -1.03 0.00 0.00 178.44 179.26 1zfs h GLU 91 N 0.95 1.12 -1.01 2.65 3.07 -1.55 -2.45 114.58 117.35 1zfs h GLU 91 Ca 0.22 -0.31 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1zfs h GLU 91 Cb 0.26 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.99 1zfs h GLU 91 CO -0.01 1.03 0.67 -0.97 -1.40 0.00 0.00 179.01 178.33 1zfs h ASN 92 N 1.04 1.16 0.00 1.42 -0.73 -1.44 -3.53 115.58 113.50 1zfs h ASN 92 Ca 0.20 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1zfs h ASN 92 Cb 0.47 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1zfs h ASN 92 CO 0.02 0.84 0.00 -0.24 -0.37 0.00 0.00 177.43 177.67