#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 4.64 -0.06 1.61 3.41 -1.26 -4.58 113.62 117.37 1zfs n SER 2 Ca 0.00 -2.85 -0.09 0.00 -0.26 0.00 0.00 58.87 55.67 1zfs n SER 2 Cb 0.00 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 1zfs n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1zfs h GLU 3 N 2.93 0.33 -0.11 4.33 4.39 -2.05 2.09 114.58 126.49 1zfs h GLU 3 Ca 0.00 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 1zfs h GLU 3 Cb 1.60 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.19 1zfs h GLU 3 CO 0.31 0.22 -0.58 1.25 -1.16 0.00 0.00 179.01 179.05 1zfs h LEU 4 N 0.34 0.69 -0.87 1.33 6.46 -2.00 -2.28 115.31 118.97 1zfs h LEU 4 Ca 0.09 -0.65 -0.03 0.00 -0.12 0.00 0.00 57.88 57.18 1zfs h LEU 4 Cb -0.04 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.65 1zfs h LEU 4 CO -0.02 1.23 0.45 -0.08 -0.62 0.00 0.00 178.44 179.39 1zfs h GLU 5 N 0.20 1.24 0.00 1.25 4.81 -1.74 -0.10 114.58 120.24 1zfs h GLU 5 Ca -0.04 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1zfs h GLU 5 Cb 1.22 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1zfs h GLU 5 CO 0.12 0.93 -0.07 1.15 -0.73 0.00 0.00 179.01 180.41 1zfs h THR 6 N 1.24 0.24 -0.43 0.32 2.02 0.34 -2.51 112.91 114.13 1zfs h THR 6 Ca 0.30 -0.53 -0.15 0.00 0.77 0.00 0.00 66.41 66.80 1zfs h THR 6 Cb 0.08 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1zfs h THR 6 CO -0.04 0.07 -0.32 0.00 0.37 0.00 0.00 175.52 175.60 1zfs h ALA 7 N 1.93 0.61 0.07 6.16 0.00 -0.40 -2.27 119.26 125.37 1zfs h ALA 7 Ca -0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.23 1zfs h ALA 7 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1zfs h ALA 7 CO 0.01 0.67 -1.18 0.52 0.00 0.00 0.00 179.25 179.27 1zfs h MET 8 N 0.80 0.16 -0.12 0.00 2.86 -1.33 -3.16 114.93 114.14 1zfs h MET 8 Ca 0.08 -0.27 -0.14 0.00 -2.06 0.00 0.00 59.70 57.31 1zfs h MET 8 Cb 0.91 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1zfs h MET 8 CO 0.08 1.11 -0.55 1.05 1.06 0.00 0.00 176.91 179.66 1zfs h GLU 9 N 0.04 0.35 0.05 1.72 4.11 -1.47 -3.14 114.58 116.24 1zfs h GLU 9 Ca -0.10 -0.22 -0.13 0.00 0.07 0.00 0.00 59.36 58.99 1zfs h GLU 9 Cb 1.90 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.18 1zfs h GLU 9 CO 0.17 0.81 -0.52 0.00 0.07 0.00 0.00 179.01 179.54 1zfs h THR 10 N 0.27 1.52 0.00 -1.06 1.03 -1.49 -2.95 112.91 110.24 1zfs h THR 10 Ca 0.00 -2.22 -0.04 0.00 -0.01 0.00 0.00 66.41 64.15 1zfs h THR 10 Cb 1.05 2.92 -0.01 0.00 -1.07 0.00 0.00 68.15 71.04 1zfs h THR 10 CO 0.09 0.62 -0.17 0.17 -0.01 0.00 0.00 175.52 176.22 1zfs h LEU 11 N -0.38 0.00 -0.11 0.00 8.10 -1.64 -2.30 115.31 118.99 1zfs h LEU 11 Ca -0.08 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.70 1zfs h LEU 11 Cb 1.31 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.51 1zfs h LEU 11 CO 0.10 0.17 -0.98 0.16 -4.11 0.00 0.00 178.44 173.79 1zfs h ILE 12 N 0.00 1.62 -0.20 0.15 3.07 -1.61 -1.85 117.51 118.69 1zfs h ILE 12 Ca -0.00 -3.10 -0.18 0.00 1.55 0.00 0.00 64.86 63.13 1zfs h ILE 12 Cb 0.44 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.72 1zfs h ILE 12 CO 0.02 0.89 -0.57 -1.13 -1.05 0.00 0.00 178.15 176.31 1zfs h ASN 13 N 0.03 0.85 0.11 2.16 -0.73 -1.28 -2.17 115.58 114.56 1zfs h ASN 13 Ca -0.03 -0.58 -0.16 0.00 1.87 0.00 0.00 56.30 57.40 1zfs h ASN 13 Cb 1.69 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 40.02 1zfs h ASN 13 CO 0.14 1.28 -0.56 0.58 -0.37 0.00 0.00 177.43 178.50 1zfs h VAL 14 N 0.47 1.33 -1.00 2.57 2.07 -1.50 0.80 116.25 120.99 1zfs h VAL 14 Ca -0.01 -1.83 0.01 0.00 0.82 0.00 0.00 66.70 65.68 1zfs h VAL 14 Cb 1.19 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 1zfs h VAL 14 CO 0.12 0.56 0.66 0.15 0.02 0.00 0.00 177.57 179.09 1zfs h PHE 15 N 0.36 1.26 0.00 1.57 3.04 -1.23 -0.19 116.94 121.76 1zfs h PHE 15 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1zfs h PHE 15 Cb 1.09 -0.43 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1zfs h PHE 15 CO 0.04 0.79 -0.38 1.58 -2.02 0.00 0.00 178.31 178.32 1zfs n HIS 16 N -4.39 0.11 -0.01 0.41 -0.00 -0.83 -1.90 115.22 108.62 1zfs n HIS 16 Ca 0.12 0.03 -0.18 0.00 0.46 0.00 0.00 57.72 58.15 1zfs n HIS 16 Cb 0.01 -0.39 -0.08 0.00 -0.12 0.00 0.00 29.99 29.41 1zfs n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1zfs h ALA 17 N 2.91 0.26 0.00 1.57 0.00 0.10 -3.22 119.26 120.89 1zfs h ALA 17 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 54.91 53.94 1zfs h ALA 17 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1zfs h ALA 17 CO 0.00 0.68 -2.30 1.58 0.00 0.00 0.00 179.25 179.21 1zfs n HIS 18 N -3.92 0.00 -0.35 0.00 -0.00 -0.97 -4.06 115.22 105.93 1zfs n HIS 18 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.62 1zfs n HIS 18 Cb 0.78 -0.91 0.14 0.00 -0.00 0.00 0.00 29.99 30.00 1zfs n HIS 18 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1zfs h SER 19 N 0.00 1.10 -0.46 0.26 0.02 -1.54 -1.23 113.55 111.70 1zfs h SER 19 Ca -0.51 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1zfs h SER 19 Cb 1.98 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1zfs h SER 19 CO -0.02 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 1zfs n GLY 20 N -1.39 1.20 0.08 -3.77 0.00 -1.22 -3.97 105.19 96.13 1zfs n GLY 20 Ca 0.11 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 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 2.83 0.00 -0.01 1.61 3.64 -1.36 -3.33 116.57 119.96 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 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1zfs h LYS 21 CO 0.00 0.68 -0.58 -0.85 -2.27 0.00 0.00 179.45 176.43 1zfs n GLU 22 N -3.17 0.64 0.00 1.90 0.28 -1.24 -5.08 120.64 113.98 1zfs n GLU 22 Ca -0.07 -0.49 0.00 0.00 -0.16 0.00 0.00 57.16 56.44 1zfs n GLU 22 Cb 0.95 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 32.33 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1zfs n GLY 23 N 1.44 -2.22 4.03 -1.84 0.00 -1.25 -4.91 105.19 100.43 1zfs n GLY 23 Ca 0.08 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 0.28 -2.89 -0.11 1.61 -0.08 -1.26 -4.77 116.55 109.32 1zfs n ASP 24 Ca 0.00 -0.92 0.00 0.00 -1.51 0.00 0.00 54.79 52.36 1zfs n ASP 24 Cb 0.00 -3.28 0.01 0.00 2.34 0.00 0.00 41.12 40.19 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 -4.47 1.06 0.23 -0.67 -0.00 -1.26 -3.86 118.16 109.19 1zfs n LYS 25 Ca -0.06 -0.08 0.13 0.00 -0.00 0.00 0.00 58.31 58.30 1zfs n LYS 25 Cb 0.56 -1.09 0.71 0.00 -0.00 0.00 0.00 35.03 35.21 1zfs n LYS 25 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1zfs h TYR 26 N 0.13 0.00 -2.39 5.58 -1.99 -1.94 -3.43 116.97 112.94 1zfs h TYR 26 Ca 0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 1zfs h TYR 26 Cb 0.10 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.77 1zfs h TYR 26 CO 0.02 0.00 0.51 -1.59 -0.00 0.00 0.00 178.16 177.10 1zfs s LYS 27 N -3.72 1.25 0.80 4.88 -2.85 -1.25 -5.09 119.74 113.76 1zfs s LYS 27 Ca -0.03 -0.73 -0.12 0.00 -1.00 0.00 0.00 55.97 54.10 1zfs s LYS 27 Cb 0.08 0.40 0.07 0.00 -2.06 0.00 0.00 37.83 36.32 1zfs s LYS 27 CO 0.24 -0.58 1.13 -1.17 0.10 0.00 0.00 175.35 175.07 1zfs s LEU 28 N -3.06 2.51 0.19 2.77 2.96 -0.32 -4.94 118.68 118.79 1zfs s LEU 28 Ca 0.15 1.04 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 1zfs s LEU 28 Cb -0.02 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 1zfs s LEU 28 CO 0.03 -1.93 0.01 -0.94 -1.32 0.00 0.00 176.35 172.20 1zfs s SER 29 N -4.24 1.29 0.26 3.68 1.04 -1.26 -2.17 113.70 112.30 1zfs s SER 29 Ca 0.61 -1.20 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 1zfs s SER 29 Cb -0.13 0.11 0.32 0.00 0.10 0.00 0.00 66.02 66.43 1zfs s SER 29 CO 0.52 -0.57 1.91 0.50 0.98 0.00 0.00 173.24 176.58 1zfs h LYS 30 N 2.64 1.25 0.00 4.02 3.11 -1.93 -2.52 116.57 123.14 1zfs h LYS 30 Ca -0.37 -0.08 -0.17 0.00 -2.81 0.00 0.00 60.65 57.23 1zfs h LYS 30 Cb 1.21 -0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 32.13 1zfs h LYS 30 CO 0.63 0.83 -0.79 1.57 -2.81 0.00 0.00 179.45 178.87 1zfs h LYS 31 N 1.29 0.00 0.01 1.90 5.09 -1.97 -3.00 116.57 119.89 1zfs h LYS 31 Ca 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.13 1zfs h LYS 31 Cb -0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.30 1zfs h LYS 31 CO -0.12 0.79 -0.00 0.93 -2.09 0.00 0.00 179.45 178.96 1zfs h GLU 32 N 0.00 -0.01 -0.29 0.07 5.08 -1.84 -2.62 114.58 114.97 1zfs h GLU 32 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1zfs h GLU 32 Cb 1.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1zfs h GLU 32 CO 0.10 0.21 -0.25 1.37 -1.00 0.00 0.00 179.01 179.45 1zfs h LEU 33 N -0.23 0.57 -0.99 1.33 8.10 -1.58 -2.91 115.31 119.60 1zfs h LEU 33 Ca -0.00 -0.20 0.00 0.00 0.11 0.00 0.00 57.88 57.79 1zfs h LEU 33 Cb 0.23 -0.16 -0.05 0.00 -0.44 0.00 0.00 40.66 40.24 1zfs h LEU 33 CO 0.00 0.81 0.62 0.50 -4.11 0.00 0.00 178.44 176.26 1zfs h LYS 34 N 0.50 1.31 -0.69 0.17 3.64 -1.44 -2.55 116.57 117.51 1zfs h LYS 34 Ca 0.07 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1zfs h LYS 34 Cb 0.70 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1zfs h LYS 34 CO 0.05 0.89 0.13 -0.44 -2.27 0.00 0.00 179.45 177.81 1zfs h ASP 35 N 1.34 1.08 -0.70 4.20 3.32 -1.27 -2.61 116.42 121.79 1zfs h ASP 35 Ca 0.36 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1zfs h ASP 35 Cb -0.11 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.13 1zfs h ASP 35 CO -0.07 1.06 0.14 -0.07 -1.72 0.00 0.00 179.24 178.58 1zfs h LEU 36 N 1.06 1.08 -0.07 1.55 3.38 -1.38 -1.02 115.31 119.91 1zfs h LEU 36 Ca 0.21 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1zfs h LEU 36 Cb 0.42 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1zfs h LEU 36 CO 0.01 1.05 -0.49 -0.07 0.09 0.00 0.00 178.44 179.04 1zfs h LEU 37 N 1.07 0.56 -1.41 1.67 3.38 -1.40 -2.84 115.31 116.34 1zfs h LEU 37 Ca 0.22 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1zfs h LEU 37 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1zfs h LEU 37 CO 0.01 1.14 -0.09 0.06 0.09 0.00 0.00 178.44 179.65 1zfs h GLN 38 N 0.02 0.00 0.06 1.13 3.07 -1.47 0.72 115.11 118.64 1zfs h GLN 38 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 1zfs h GLN 38 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1zfs h GLN 38 CO 0.10 0.09 -0.03 1.79 0.09 0.00 0.00 178.83 180.87 1zfs h THR 39 N 0.00 0.77 0.00 1.86 1.35 -1.14 -3.37 112.91 112.38 1zfs h THR 39 Ca -0.00 -1.43 -0.12 0.00 -0.55 0.00 0.00 66.41 64.31 1zfs h THR 39 Cb 0.57 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1zfs h THR 39 CO 0.01 0.24 -1.54 -0.62 -0.25 0.00 0.00 175.52 173.36 1zfs n GLU 40 N -4.78 2.16 -0.79 4.72 1.02 -1.08 -4.67 120.64 117.22 1zfs n GLU 40 Ca -0.05 -0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.03 1zfs n GLU 40 Cb 0.23 -1.21 0.22 0.00 -0.02 0.00 0.00 31.44 30.66 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 -2.21 4.59 -0.38 -4.62 4.32 0.43 -4.68 117.00 114.44 1zfs n LEU 41 Ca -0.11 -3.50 -0.02 0.00 -0.02 0.00 0.00 56.01 52.36 1zfs n LEU 41 Cb 0.67 -0.65 0.11 0.00 -1.62 0.00 0.00 43.42 41.93 1zfs n LEU 41 CO 0.18 1.03 1.30 0.77 -1.22 0.00 0.00 177.39 179.45 1zfs h SER 42 N 1.37 1.16 -0.48 -1.43 4.64 0.12 -1.72 113.55 117.21 1zfs h SER 42 Ca 0.22 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.37 1zfs h SER 42 Cb 1.82 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 1zfs h SER 42 CO 0.47 0.84 -0.24 -1.28 -0.87 0.00 0.00 176.83 175.75 1zfs h SER 43 N 1.36 1.03 0.00 4.97 0.87 -1.85 -3.34 113.55 116.59 1zfs h SER 43 Ca 0.37 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1zfs h SER 43 Cb -0.16 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.52 1zfs h SER 43 CO -0.08 1.21 0.00 0.49 -0.53 0.00 0.00 176.83 177.92 1zfs n PHE 44 N -4.10 0.00 -2.74 2.24 3.01 -1.05 -4.54 117.46 110.27 1zfs n PHE 44 Ca -0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 1zfs n PHE 44 Cb 0.47 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 1zfs n PHE 44 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1zfs s LEU 45 N -3.94 4.06 -0.66 4.37 1.02 -0.67 -4.93 118.68 117.93 1zfs s LEU 45 Ca 0.00 -1.12 -0.26 0.00 0.02 0.00 0.00 54.13 52.77 1zfs s LEU 45 Cb 0.00 -2.48 -0.11 0.00 0.02 0.00 0.00 46.19 43.62 1zfs s LEU 45 CO 0.00 -1.48 2.42 -0.90 0.02 0.00 0.00 176.35 176.41 1zfs n ASP 46 N 8.11 2.02 -0.04 2.29 5.75 -1.25 -4.52 116.55 128.91 1zfs n ASP 46 Ca 0.09 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1zfs n ASP 46 Cb 0.48 -1.62 -0.12 0.00 -1.03 0.00 0.00 41.12 38.82 1zfs n ASP 46 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1zfs n VAL 47 N 8.43 0.50 -0.00 2.12 3.14 -1.26 -4.30 118.33 126.96 1zfs n VAL 47 Ca 0.43 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 61.30 1zfs n VAL 47 Cb 0.48 -0.23 -0.01 0.00 -1.06 0.00 0.00 33.84 33.02 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 -0.07 -0.75 1.45 4.20 -1.88 -3.33 115.11 114.72 1zfs h GLN 48 Ca -0.20 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.52 1zfs h GLN 48 Cb 1.32 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.08 1zfs h GLN 48 CO 0.01 -0.05 0.50 1.57 -0.67 0.00 0.00 178.83 180.19 1zfs h LYS 49 N -0.78 0.99 -3.16 1.46 2.10 -1.96 -3.22 116.57 112.00 1zfs h LYS 49 Ca -0.01 -0.06 -0.80 0.00 -2.00 0.00 0.00 60.65 57.78 1zfs h LYS 49 Cb 0.06 -0.22 -0.28 0.00 -0.90 0.00 0.00 32.23 30.88 1zfs h LYS 49 CO 0.01 0.65 0.62 -0.25 -2.00 0.00 0.00 179.45 178.48 1zfs n ASP 50 N -4.56 5.99 0.29 7.07 8.00 -1.26 -4.80 116.55 127.28 1zfs n ASP 50 Ca 0.07 -3.27 0.14 0.00 0.71 0.00 0.00 54.79 52.45 1zfs n ASP 50 Cb 0.02 -1.30 0.75 0.00 -0.02 0.00 0.00 41.12 40.57 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 5.89 1.26 0.00 2.24 0.00 -1.66 2.16 119.26 129.15 1zfs h ALA 51 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1zfs h ALA 51 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1zfs h ALA 51 CO 1.20 -0.26 -0.12 0.38 0.00 0.00 0.00 179.25 180.45 1zfs h ASP 52 N 0.00 0.00 -0.19 0.00 2.03 -1.88 -2.99 116.42 113.39 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 0.56 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.04 1zfs h ASP 52 CO 0.00 0.12 -0.14 0.00 -1.03 0.00 0.00 179.24 178.19 1zfs h ALA 53 N 1.88 1.14 0.00 4.15 0.00 0.33 -2.34 119.26 124.42 1zfs h ALA 53 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1zfs h ALA 53 Cb 0.92 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1zfs h ALA 53 CO 0.02 0.54 -0.56 -0.24 0.00 0.00 0.00 179.25 179.01 1zfs h VAL 54 N 0.53 1.02 -0.38 0.00 3.04 -1.52 -2.32 116.25 116.62 1zfs h VAL 54 Ca 0.09 -2.25 -0.16 0.00 -1.01 0.00 0.00 66.70 63.37 1zfs h VAL 54 Cb 0.56 2.37 -0.01 0.00 -2.01 0.00 0.00 31.29 32.20 1zfs h VAL 54 CO 0.04 0.54 -0.40 -0.78 -1.01 0.00 0.00 177.57 175.96 1zfs h ASP 55 N 0.00 1.01 -0.38 3.17 1.82 -1.39 -2.21 116.42 118.44 1zfs h ASP 55 Ca -0.01 -0.47 -0.16 0.00 -0.39 0.00 0.00 57.03 56.00 1zfs h ASP 55 Cb 1.33 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 1zfs h ASP 55 CO 0.07 1.28 -0.40 0.11 -1.61 0.00 0.00 179.24 178.69 1zfs h LYS 56 N 0.77 0.94 -0.73 0.28 1.57 -1.44 -2.06 116.57 115.90 1zfs h LYS 56 Ca 0.06 -0.50 -0.07 0.00 -1.87 0.00 0.00 60.65 58.27 1zfs h LYS 56 Cb 1.00 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1zfs h LYS 56 CO 0.10 1.16 0.20 0.82 -0.57 0.00 0.00 179.45 181.16 1zfs h ILE 57 N 0.76 1.26 0.00 1.86 2.04 -1.35 -2.64 117.51 119.45 1zfs h ILE 57 Ca 0.06 -0.95 -0.13 0.00 1.00 0.00 0.00 64.86 64.84 1zfs h ILE 57 Cb 1.00 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1zfs h ILE 57 CO 0.10 0.37 -0.61 0.00 0.00 0.00 0.00 178.15 178.01 1zfs h MET 58 N 1.10 0.00 -0.53 2.37 -0.00 -1.37 -3.26 114.93 113.24 1zfs h MET 58 Ca 0.23 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.95 1zfs h MET 58 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.92 1zfs h MET 58 CO -0.00 0.61 0.33 -0.22 -0.00 0.00 0.00 176.91 177.62 1zfs h LYS 59 N 0.00 0.64 -0.73 -0.10 3.64 -0.99 2.15 116.57 121.19 1zfs h LYS 59 Ca -0.01 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1zfs h LYS 59 Cb 1.33 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1zfs h LYS 59 CO 0.08 0.42 0.20 0.93 -2.27 0.00 0.00 179.45 178.81 1zfs h GLU 60 N 0.66 1.15 0.39 1.90 5.08 -1.60 -0.36 114.58 121.81 1zfs h GLU 60 Ca 0.21 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1zfs h GLU 60 Cb -0.01 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1zfs h GLU 60 CO -0.08 1.00 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.67 1zfs h LEU 61 N 1.10 -0.44 -3.24 1.33 4.07 -1.30 -3.19 115.31 113.63 1zfs h LEU 61 Ca 0.23 0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.09 1zfs h LEU 61 Cb 0.35 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 1zfs h LEU 61 CO -0.00 -0.07 0.09 0.47 -1.08 0.00 0.00 178.44 177.85 1zfs n ASP 62 N -4.81 5.67 0.22 -0.43 8.00 0.72 -4.47 116.55 121.45 1zfs n ASP 62 Ca -0.07 -2.61 0.07 0.00 0.71 0.00 0.00 54.79 52.90 1zfs n ASP 62 Cb 0.21 -1.13 0.37 0.00 -0.02 0.00 0.00 41.12 40.55 1zfs n ASP 62 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1zfs h GLU 63 N 1.32 0.00 -0.00 -1.24 4.11 -1.05 2.27 114.58 119.99 1zfs h GLU 63 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1zfs h GLU 63 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1zfs h GLU 63 CO 0.24 0.00 -0.20 -1.71 0.07 0.00 0.00 179.01 177.41 1zfs n ASN 64 N -2.23 0.49 -1.34 3.06 5.15 -1.26 -4.92 115.26 114.21 1zfs n ASN 64 Ca -0.01 -0.39 -0.11 0.00 -0.60 0.00 0.00 54.58 53.48 1zfs n ASN 64 Cb 0.46 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 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 -0.02 0.35 8.20 0.00 0.77 -4.90 105.19 110.96 1zfs n GLY 65 Ca 0.11 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.13 1.18 0.00 1.61 5.68 -1.26 -4.89 116.55 118.74 1zfs n ASP 66 Ca -0.10 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 1zfs n ASP 66 Cb 0.58 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1zfs n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1zfs n GLY 67 N 1.23 0.00 2.96 6.12 0.00 -1.26 -4.88 105.19 109.36 1zfs n GLY 67 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.34 0.95 0.01 1.61 2.02 -1.26 -3.21 118.70 117.47 1zfs s GLU 68 Ca 0.00 -0.22 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 1zfs s GLU 68 Cb 0.00 -0.89 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 1zfs s GLU 68 CO 0.00 0.02 0.17 0.08 0.02 0.00 0.00 175.26 175.55 1zfs s VAL 69 N 0.52 5.30 -0.38 2.63 1.01 -0.92 -4.77 120.40 123.79 1zfs s VAL 69 Ca -0.08 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1zfs s VAL 69 Cb -0.11 -3.49 0.24 0.00 0.00 0.00 0.00 36.38 33.01 1zfs s VAL 69 CO 0.01 0.29 1.15 -0.67 0.00 0.00 0.00 175.10 175.88 1zfs n ASP 70 N 0.85 2.99 0.00 3.32 -0.08 -1.26 -1.18 116.55 121.19 1zfs n ASP 70 Ca -0.10 -2.45 0.00 0.00 -1.51 0.00 0.00 54.79 50.73 1zfs n ASP 70 Cb 0.52 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.39 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 0.05 0.00 -0.35 -0.67 1.16 -1.26 -4.12 117.46 112.28 1zfs n PHE 71 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.72 1zfs n PHE 71 Cb 0.76 0.00 0.13 0.00 -1.61 0.00 0.00 39.48 38.77 1zfs n PHE 71 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 1zfs h GLN 72 N 0.00 1.27 -1.01 3.97 4.15 -2.01 -1.07 115.11 120.41 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 0.84 0.67 0.93 -1.93 0.00 0.00 178.83 179.34 1zfs h GLU 73 N 1.30 1.32 -0.24 1.69 5.08 -1.96 -2.92 114.58 118.85 1zfs h GLU 73 Ca 0.35 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1zfs h GLU 73 Cb -0.15 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.79 1zfs h GLU 73 CO -0.08 0.88 0.13 0.35 -1.00 0.00 0.00 179.01 179.29 1zfs h PHE 74 N 1.36 0.32 -1.01 4.33 3.57 -1.54 -2.99 116.94 121.00 1zfs h PHE 74 Ca 0.37 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1zfs h PHE 74 Cb -0.16 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 1zfs h PHE 74 CO -0.00 0.28 0.67 -0.24 -2.23 0.00 0.00 178.31 176.79 1zfs h VAL 75 N 0.27 1.26 -0.43 1.41 3.04 -1.26 -2.76 116.25 117.78 1zfs h VAL 75 Ca 0.08 -0.47 -0.15 0.00 -1.01 0.00 0.00 66.70 65.15 1zfs h VAL 75 Cb 0.06 -0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 29.11 1zfs h VAL 75 CO -0.01 0.25 -0.32 0.58 -1.01 0.00 0.00 177.57 177.06 1zfs h VAL 76 N 1.37 1.27 0.43 1.51 2.07 -1.50 -1.95 116.25 119.44 1zfs h VAL 76 Ca 0.37 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1zfs h VAL 76 Cb -0.16 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1zfs h VAL 76 CO -0.08 0.51 -0.21 0.25 0.02 0.00 0.00 177.57 178.06 1zfs h LEU 77 N 0.81 -0.49 -1.19 2.57 7.12 -1.36 -2.89 115.31 119.87 1zfs h LEU 77 Ca 0.08 -0.10 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 1zfs h LEU 77 Cb 0.91 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.16 1zfs h LEU 77 CO 0.08 -0.08 -0.20 -0.37 -0.13 0.00 0.00 178.44 177.75 1zfs h VAL 78 N -1.00 0.50 -0.15 1.05 -1.51 -1.62 -2.90 116.25 110.61 1zfs h VAL 78 Ca -0.06 -1.03 -0.07 0.00 -1.23 0.00 0.00 66.70 64.31 1zfs h VAL 78 Cb 0.56 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1zfs h VAL 78 CO 0.10 0.19 -0.18 0.00 -1.23 0.00 0.00 177.57 176.45 1zfs h ALA 79 N 1.80 0.23 -0.55 5.19 0.00 -1.40 -2.75 119.26 121.79 1zfs h ALA 79 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1zfs h ALA 79 Cb 0.70 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1zfs h ALA 79 CO 0.03 0.15 -0.11 0.00 0.00 0.00 0.00 179.25 179.31 1zfs h ALA 80 N 0.60 0.76 -0.10 0.00 0.00 -1.46 -2.59 119.26 116.47 1zfs h ALA 80 Ca 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1zfs h ALA 80 Cb 0.73 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1zfs h ALA 80 CO 0.04 0.68 -0.05 -0.07 0.00 0.00 0.00 179.25 179.85 1zfs h LEU 81 N 0.93 0.23 -0.78 0.00 -0.00 -1.56 -2.51 115.31 111.62 1zfs h LEU 81 Ca 0.14 -0.42 -0.04 0.00 -0.00 0.00 0.00 57.88 57.57 1zfs h LEU 81 Cb 0.68 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.25 1zfs h LEU 81 CO 0.05 0.59 0.33 0.74 -0.00 0.00 0.00 178.44 180.15 1zfs h THR 82 N -0.14 1.26 -0.50 0.22 2.02 -1.53 -2.54 112.91 111.69 1zfs h THR 82 Ca 0.02 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1zfs h THR 82 Cb 0.51 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1zfs h THR 82 CO 0.02 0.32 0.27 0.58 0.37 0.00 0.00 175.52 177.08 1zfs h VAL 83 N 1.12 1.17 -1.00 3.16 2.07 -1.47 -2.74 116.25 118.55 1zfs h VAL 83 Ca 0.26 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1zfs h VAL 83 Cb 0.19 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1zfs h VAL 83 CO -0.02 0.18 0.66 0.00 0.02 0.00 0.00 177.57 178.41 1zfs h ALA 84 N 1.11 1.28 -1.00 1.67 0.00 -1.17 -2.50 119.26 118.65 1zfs h ALA 84 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zfs h ALA 84 Cb 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 1zfs h ALA 84 CO -0.03 0.67 0.67 0.00 0.00 0.00 0.00 179.25 180.55 1zfs h ASN 86 N 1.36 1.16 -0.61 0.00 -0.73 -1.35 -2.35 115.58 113.05 1zfs h ASN 86 Ca 0.37 -0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.41 1zfs h ASN 86 Cb -0.15 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.13 1zfs h ASN 86 CO -0.08 0.84 0.00 -1.13 -0.37 0.00 0.00 177.43 176.69 1zfs h ASN 87 N 1.37 1.06 -1.01 1.15 -0.73 -1.34 -1.34 115.58 114.74 1zfs h ASN 87 Ca 0.37 -0.31 0.01 0.00 1.87 0.00 0.00 56.30 58.24 1zfs h ASN 87 Cb -0.16 -0.29 -0.05 0.00 0.27 0.00 0.00 38.32 38.10 1zfs h ASN 87 CO -0.08 1.11 0.67 -0.26 -0.37 0.00 0.00 177.43 178.49 1zfs h PHE 88 N 0.99 1.27 0.00 0.67 0.04 -1.06 -1.50 116.94 117.34 1zfs h PHE 88 Ca 0.17 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1zfs h PHE 88 Cb 0.56 -0.43 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1zfs h PHE 88 CO 0.04 0.80 -0.00 0.74 -0.60 0.00 0.00 178.31 179.29 1zfs h PHE 89 N 1.37 0.00 -0.27 -0.55 0.04 -1.28 -3.09 116.94 113.15 1zfs h PHE 89 Ca 0.37 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.06 1zfs h PHE 89 Cb -0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1zfs h PHE 89 CO 0.00 0.00 -0.12 2.35 -0.60 0.00 0.00 178.31 179.94 1zfs h TRP 90 N 0.00 0.65 -0.29 -0.55 7.01 -0.19 0.70 115.95 123.28 1zfs h TRP 90 Ca 0.00 -0.16 -0.15 0.00 2.11 0.00 0.00 58.89 60.69 1zfs h TRP 90 Cb 0.95 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 1zfs h TRP 90 CO 0.00 0.80 -0.42 1.05 -2.79 0.00 0.00 178.44 177.08 1zfs h GLU 91 N 0.30 0.72 0.00 2.65 4.11 -1.53 -2.63 114.58 118.20 1zfs h GLU 91 Ca 0.06 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1zfs h GLU 91 Cb 0.63 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1zfs h GLU 91 CO 0.04 1.01 0.00 0.09 0.07 0.00 0.00 179.01 180.21 1zfs n ASN 92 N -4.03 0.72 0.00 3.06 3.02 -1.17 -5.15 115.26 111.71 1zfs n ASN 92 Ca -0.02 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.14 1zfs n ASN 92 Cb 0.55 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1zfs n ASN 92 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40