#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 0.00 -0.08 1.61 2.88 -1.26 -4.74 113.62 112.03 1zfs n SER 2 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1zfs n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1zfs n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1zfs n GLU 3 N -0.83 0.45 -0.33 -1.46 1.02 -1.26 -3.99 120.64 114.24 1zfs n GLU 3 Ca 0.00 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.29 1zfs n GLU 3 Cb 0.00 -1.29 0.09 0.00 -0.02 0.00 0.00 31.44 30.22 1zfs n GLU 3 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1zfs h LEU 4 N -0.84 1.02 -0.63 -4.62 6.46 -2.00 -1.27 115.31 113.44 1zfs h LEU 4 Ca -0.12 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.52 1zfs h LEU 4 Cb 0.97 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1zfs h LEU 4 CO -0.07 0.74 0.02 -0.08 -0.62 0.00 0.00 178.44 178.43 1zfs h GLU 5 N 1.20 1.09 -0.02 1.25 4.81 -1.90 -0.05 114.58 120.96 1zfs h GLU 5 Ca 0.32 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1zfs h GLU 5 Cb -0.14 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1zfs h GLU 5 CO -0.07 1.05 0.04 1.15 -0.73 0.00 0.00 179.01 180.45 1zfs h THR 6 N 1.00 0.30 -0.43 0.32 2.02 -1.46 -0.26 112.91 114.40 1zfs h THR 6 Ca 0.18 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.25 1zfs h THR 6 Cb 0.54 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1zfs h THR 6 CO 0.03 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.75 1zfs h ALA 7 N 1.94 0.91 0.12 6.16 0.00 0.11 -2.20 119.26 126.30 1zfs h ALA 7 Ca 0.01 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.30 1zfs h ALA 7 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1zfs h ALA 7 CO -0.00 0.62 -1.28 0.52 0.00 0.00 0.00 179.25 179.12 1zfs h MET 8 N 0.71 0.25 -0.06 0.00 2.07 -1.01 -3.15 114.93 113.75 1zfs h MET 8 Ca 0.11 -0.43 -0.11 0.00 -2.07 0.00 0.00 59.70 57.19 1zfs h MET 8 Cb 0.67 0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1zfs h MET 8 CO 0.05 1.19 -0.49 1.05 1.07 0.00 0.00 176.91 179.78 1zfs h GLU 9 N 0.07 0.14 0.01 1.72 -0.00 -1.42 -2.31 114.58 112.80 1zfs h GLU 9 Ca -0.14 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.14 1zfs h GLU 9 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.72 1zfs h GLU 9 CO 0.19 0.60 -0.00 0.00 -0.00 0.00 0.00 179.01 179.80 1zfs h THR 10 N 0.12 1.60 0.00 -1.06 1.03 -1.48 -2.12 112.91 111.00 1zfs h THR 10 Ca 0.00 -2.01 -0.06 0.00 -0.01 0.00 0.00 66.41 64.33 1zfs h THR 10 Cb 0.90 2.93 -0.01 0.00 -1.07 0.00 0.00 68.15 70.91 1zfs h THR 10 CO 0.07 0.51 -0.27 0.17 -0.01 0.00 0.00 175.52 175.99 1zfs h LEU 11 N -0.90 0.00 -0.53 0.00 8.10 -1.62 -2.20 115.31 118.16 1zfs h LEU 11 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 1zfs h LEU 11 Cb 0.84 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 1zfs h LEU 11 CO 0.00 0.27 -0.64 0.40 -4.11 0.00 0.00 178.44 174.36 1zfs h ILE 12 N 0.00 1.37 -0.21 0.15 2.04 -1.47 -2.07 117.51 117.33 1zfs h ILE 12 Ca -0.00 -2.00 -0.10 0.00 1.00 0.00 0.00 64.86 63.76 1zfs h ILE 12 Cb 0.52 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1zfs h ILE 12 CO 0.03 0.60 -0.26 0.78 0.00 0.00 0.00 178.15 179.31 1zfs h ASN 13 N 0.26 0.58 0.45 1.72 -0.26 -0.78 -1.99 115.58 115.57 1zfs h ASN 13 Ca -0.01 -0.50 -0.12 0.00 -0.56 0.00 0.00 56.30 55.11 1zfs h ASN 13 Cb 1.17 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.25 1zfs h ASN 13 CO 0.11 0.97 -0.54 -0.37 -1.06 0.00 0.00 177.43 176.54 1zfs h VAL 14 N 0.22 1.38 -0.84 2.81 -1.51 -1.51 -1.35 116.25 115.44 1zfs h VAL 14 Ca 0.03 -1.84 -0.03 0.00 -1.23 0.00 0.00 66.70 63.62 1zfs h VAL 14 Cb 0.83 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.90 1zfs h VAL 14 CO 0.06 0.53 0.39 0.15 -1.23 0.00 0.00 177.57 177.48 1zfs h PHE 15 N 0.08 1.23 -0.00 5.19 3.57 -1.23 -1.22 116.94 124.56 1zfs h PHE 15 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1zfs h PHE 15 Cb 0.97 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1zfs h PHE 15 CO 0.01 0.89 -0.23 1.58 -2.23 0.00 0.00 178.31 178.33 1zfs n HIS 16 N -4.30 0.00 0.09 0.41 -0.00 -0.76 -1.15 115.22 109.52 1zfs n HIS 16 Ca 0.08 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.08 1zfs n HIS 16 Cb 0.15 -0.29 -0.14 0.00 -0.12 0.00 0.00 29.99 29.58 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 3.22 0.13 -0.00 1.57 0.00 -0.08 -3.38 119.26 120.71 1zfs h ALA 17 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1zfs h ALA 17 Cb 0.46 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1zfs h ALA 17 CO 0.00 1.00 -0.30 0.72 0.00 0.00 0.00 179.25 180.67 1zfs n HIS 18 N -3.53 0.00 0.27 0.00 8.25 -0.90 -4.22 115.22 115.08 1zfs n HIS 18 Ca -0.14 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.36 1zfs n HIS 18 Cb 1.05 0.00 0.18 0.00 1.12 0.00 0.00 29.99 32.34 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 0.08 0.00 0.00 0.41 0.87 -1.31 -3.37 113.55 110.23 1zfs h SER 19 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1zfs h SER 19 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1zfs h SER 19 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1zfs n GLY 20 N -1.36 0.05 0.31 5.77 0.00 -1.26 -4.18 105.19 104.53 1zfs n GLY 20 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 -0.02 1.61 3.64 -1.73 0.87 116.57 120.94 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 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1zfs h LYS 21 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 1zfs n GLU 22 N -3.75 1.67 0.00 1.90 1.02 -1.26 -4.92 120.64 115.30 1zfs n GLU 22 Ca -0.01 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 1zfs n GLU 22 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.18 -0.62 3.58 0.62 0.00 0.30 -5.04 105.19 105.21 1zfs n GLY 23 Ca 0.19 0.61 -0.42 0.00 0.00 0.00 0.00 46.02 46.40 1zfs n GLY 23 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zfs s ASP 24 N 2.00 6.76 0.00 1.61 -4.77 -1.18 -4.73 116.67 116.37 1zfs s ASP 24 Ca 0.00 -2.39 0.04 0.00 -3.30 0.00 0.00 52.55 46.91 1zfs s ASP 24 Cb 0.00 -2.58 0.22 0.00 -1.09 0.00 0.00 42.92 39.47 1zfs s ASP 24 CO 0.00 -1.25 1.15 2.29 0.70 0.00 0.00 175.17 178.05 1zfs n LYS 25 N 8.41 1.12 0.00 2.11 2.85 -0.68 -3.27 118.16 128.70 1zfs n LYS 25 Ca 0.48 -0.18 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 1zfs n LYS 25 Cb 0.46 -1.08 0.26 0.00 -0.65 0.00 0.00 35.03 34.02 1zfs n LYS 25 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1zfs n TYR 26 N -0.40 0.00 -3.48 5.58 4.19 -1.26 -4.76 117.16 117.03 1zfs n TYR 26 Ca 0.04 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.13 1zfs n TYR 26 Cb 0.05 -0.25 -0.03 0.00 0.49 0.00 0.00 39.34 39.60 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1zfs s LYS 27 N -2.99 1.22 0.61 2.98 2.20 -1.20 -5.10 119.74 117.46 1zfs s LYS 27 Ca 0.11 -0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 55.08 1zfs s LYS 27 Cb 0.18 0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 37.02 1zfs s LYS 27 CO 0.69 -0.52 1.01 -1.17 -0.36 0.00 0.00 175.35 175.00 1zfs s LEU 28 N -2.77 3.24 0.20 5.43 2.96 -0.85 -4.55 118.68 122.34 1zfs s LEU 28 Ca 0.02 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 1zfs s LEU 28 Cb -0.00 -4.32 -0.04 0.00 0.50 0.00 0.00 46.19 42.33 1zfs s LEU 28 CO -0.13 -0.90 0.09 -0.55 -1.32 0.00 0.00 176.35 173.54 1zfs s SER 29 N -4.20 0.64 0.25 3.68 0.15 -1.26 -2.15 113.70 110.81 1zfs s SER 29 Ca 0.54 -1.32 -0.06 0.00 0.70 0.00 0.00 55.95 55.82 1zfs s SER 29 Cb -0.11 0.26 0.27 0.00 -1.71 0.00 0.00 66.02 64.74 1zfs s SER 29 CO 0.52 -0.75 1.93 0.50 1.20 0.00 0.00 173.24 176.64 1zfs h LYS 30 N 2.61 1.31 0.00 5.44 3.64 -1.95 -2.08 116.57 125.54 1zfs h LYS 30 Ca -0.37 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 58.75 1zfs h LYS 30 Cb 1.23 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1zfs h LYS 30 CO 0.58 0.87 -0.86 1.57 -2.27 0.00 0.00 179.45 179.34 1zfs h LYS 31 N 1.35 0.00 -0.25 1.90 5.09 -1.97 -3.07 116.57 119.62 1zfs h LYS 31 Ca 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 61.06 1zfs h LYS 31 Cb -0.13 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.19 1zfs h LYS 31 CO -0.09 0.86 -0.04 0.93 -2.09 0.00 0.00 179.45 179.02 1zfs h GLU 32 N 0.00 0.47 -0.21 0.07 5.08 -1.74 -2.87 114.58 115.38 1zfs h GLU 32 Ca -0.01 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1zfs h GLU 32 Cb 1.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1zfs h GLU 32 CO 0.11 0.68 -0.45 1.37 -1.00 0.00 0.00 179.01 179.72 1zfs h LEU 33 N 0.22 0.56 -1.52 1.33 8.10 -1.48 -2.88 115.31 119.65 1zfs h LEU 33 Ca 0.07 -0.26 0.00 0.00 0.11 0.00 0.00 57.88 57.79 1zfs h LEU 33 Cb 0.49 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.53 1zfs h LEU 33 CO 0.02 0.93 0.28 0.50 -4.11 0.00 0.00 178.44 176.06 1zfs h LYS 34 N 0.43 0.60 -0.47 0.17 3.64 -1.49 -1.97 116.57 117.48 1zfs h LYS 34 Ca 0.03 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1zfs h LYS 34 Cb 0.95 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1zfs h LYS 34 CO 0.08 0.41 -0.14 0.22 -2.27 0.00 0.00 179.45 177.75 1zfs h ASP 35 N 0.61 0.94 -0.65 4.20 1.82 -1.28 -2.30 116.42 119.76 1zfs h ASP 35 Ca 0.16 -0.37 0.01 0.00 -0.39 0.00 0.00 57.03 56.44 1zfs h ASP 35 Cb -0.04 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.68 1zfs h ASP 35 CO -0.03 1.10 0.42 -0.07 -1.61 0.00 0.00 179.24 179.05 1zfs h LEU 36 N 0.77 0.75 0.06 2.28 3.38 -1.29 0.91 115.31 122.17 1zfs h LEU 36 Ca 0.12 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.78 1zfs h LEU 36 Cb 0.70 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1zfs h LEU 36 CO 0.05 0.55 -1.16 -0.07 0.09 0.00 0.00 178.44 177.90 1zfs h LEU 37 N 0.88 0.91 -1.49 1.67 3.38 -1.48 -3.05 115.31 116.12 1zfs h LEU 37 Ca 0.24 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1zfs h LEU 37 Cb -0.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.38 1zfs h LEU 37 CO -0.05 1.58 0.00 1.56 0.09 0.00 0.00 178.44 181.62 1zfs h GLN 38 N 0.34 0.00 0.00 1.13 4.20 -1.31 2.49 115.11 121.96 1zfs h GLN 38 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1zfs h GLN 38 Cb 1.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.60 1zfs h GLN 38 CO 0.22 0.00 -0.04 1.79 -0.67 0.00 0.00 178.83 180.13 1zfs h THR 39 N 0.00 0.00 0.00 -0.54 1.35 -0.76 -3.39 112.91 109.57 1zfs h THR 39 Ca 0.00 -0.96 -0.16 0.00 -0.55 0.00 0.00 66.41 64.74 1zfs h THR 39 Cb 0.50 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.89 1zfs h THR 39 CO 0.00 0.00 -1.62 -0.62 -0.25 0.00 0.00 175.52 173.03 1zfs n GLU 40 N -4.65 2.52 -0.88 4.72 1.02 -1.16 -4.65 120.64 117.56 1zfs n GLU 40 Ca -0.01 -0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 1zfs n GLU 40 Cb 0.02 -1.23 0.21 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.33 4.82 -0.28 -4.62 4.32 -0.61 -4.70 117.00 113.60 1zfs n LEU 41 Ca -0.15 -3.63 -0.06 0.00 -0.02 0.00 0.00 56.01 52.15 1zfs n LEU 41 Cb 0.79 -0.68 0.06 0.00 -1.62 0.00 0.00 43.42 41.97 1zfs n LEU 41 CO 0.19 1.13 1.05 0.77 -1.22 0.00 0.00 177.39 179.32 1zfs h SER 42 N 1.18 1.03 -0.05 -1.43 4.64 0.41 -1.71 113.55 117.61 1zfs h SER 42 Ca 0.30 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 1zfs h SER 42 Cb 1.96 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 63.79 1zfs h SER 42 CO 0.56 0.90 -0.78 0.77 -0.87 0.00 0.00 176.83 177.40 1zfs h SER 43 N 1.08 0.84 0.09 4.97 4.64 -1.84 -3.37 113.55 119.97 1zfs h SER 43 Ca 0.26 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1zfs h SER 43 Cb 0.18 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1zfs h SER 43 CO -0.03 1.35 -0.05 -0.26 -0.87 0.00 0.00 176.83 176.98 1zfs h PHE 44 N 0.48 -0.12 -2.27 4.77 0.04 -1.89 -3.40 116.94 114.55 1zfs h PHE 44 Ca -0.05 -0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.16 1zfs h PHE 44 Cb 1.40 0.04 -0.09 0.00 2.20 0.00 0.00 35.95 39.50 1zfs h PHE 44 CO 0.08 -0.07 1.06 -0.51 -0.60 0.00 0.00 178.31 178.27 1zfs s LEU 45 N -6.90 3.30 0.26 1.54 2.01 -0.65 -4.96 118.68 113.27 1zfs s LEU 45 Ca -0.02 -0.59 -0.31 0.00 0.01 0.00 0.00 54.13 53.22 1zfs s LEU 45 Cb 0.00 -2.55 -0.12 0.00 0.01 0.00 0.00 46.19 43.54 1zfs s LEU 45 CO 0.06 -1.77 1.66 -1.81 1.01 0.00 0.00 176.35 175.49 1zfs s ASP 46 N 3.85 6.35 0.00 2.29 1.01 -1.26 -4.54 116.67 124.37 1zfs s ASP 46 Ca 0.35 2.94 0.00 0.00 0.71 0.00 0.00 52.55 56.55 1zfs s ASP 46 Cb -0.08 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1zfs s ASP 46 CO 0.12 -0.96 0.00 0.55 0.21 0.00 0.00 175.17 175.10 1zfs n VAL 47 N 2.94 0.00 0.24 -1.27 3.14 -1.26 -4.83 118.33 117.30 1zfs n VAL 47 Ca 0.12 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.39 1zfs n VAL 47 Cb 0.36 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.09 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 -0.66 -0.70 1.45 4.20 -1.87 -3.25 115.11 114.28 1zfs h GLN 48 Ca 0.00 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1zfs h GLN 48 Cb 0.00 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1zfs h GLN 48 CO 0.00 -0.44 0.32 1.57 -0.67 0.00 0.00 178.83 179.61 1zfs h LYS 49 N -1.18 1.02 -3.04 1.46 2.10 -1.96 -3.25 116.57 111.72 1zfs h LYS 49 Ca -0.07 -0.16 -0.79 0.00 -2.00 0.00 0.00 60.65 57.63 1zfs h LYS 49 Cb 0.52 -0.18 -0.29 0.00 -0.90 0.00 0.00 32.23 31.39 1zfs h LYS 49 CO 0.11 0.81 0.62 -0.40 -2.00 0.00 0.00 179.45 178.60 1zfs n ASP 50 N -4.42 6.04 0.24 7.07 5.68 -1.25 -4.80 116.55 125.11 1zfs n ASP 50 Ca 0.06 -3.33 0.17 0.00 -0.50 0.00 0.00 54.79 51.19 1zfs n ASP 50 Cb 0.14 -1.26 0.74 0.00 -1.14 0.00 0.00 41.12 39.61 1zfs n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zfs h ALA 51 N 5.65 1.68 0.00 2.12 0.00 -1.60 2.50 119.26 129.62 1zfs h ALA 51 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1zfs h ALA 51 Cb 0.68 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1zfs h ALA 51 CO 1.23 -0.52 -0.38 -0.44 0.00 0.00 0.00 179.25 179.15 1zfs h ASP 52 N 0.00 0.00 0.05 0.00 3.32 -1.87 -2.42 116.42 115.50 1zfs h ASP 52 Ca 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1zfs h ASP 52 Cb 0.94 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1zfs h ASP 52 CO -0.00 0.38 -0.10 0.00 -1.72 0.00 0.00 179.24 177.80 1zfs h ALA 53 N 1.62 1.67 0.01 3.45 0.00 0.40 -1.71 119.26 124.70 1zfs h ALA 53 Ca -0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1zfs h ALA 53 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1zfs h ALA 53 CO 0.05 0.24 -0.87 -0.24 0.00 0.00 0.00 179.25 178.44 1zfs h VAL 54 N 0.13 1.57 -0.57 0.00 3.04 -1.43 -2.29 116.25 116.71 1zfs h VAL 54 Ca 0.03 -2.83 -0.11 0.00 -1.01 0.00 0.00 66.70 62.78 1zfs h VAL 54 Cb 0.26 2.55 -0.02 0.00 -2.01 0.00 0.00 31.29 32.07 1zfs h VAL 54 CO 0.01 0.81 -0.08 -0.78 -1.01 0.00 0.00 177.57 176.53 1zfs h ASP 55 N 0.03 1.05 -0.36 3.17 1.82 -1.26 -2.49 116.42 118.38 1zfs h ASP 55 Ca -0.02 -0.34 -0.17 0.00 -0.39 0.00 0.00 57.03 56.11 1zfs h ASP 55 Cb 1.52 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 41.24 1zfs h ASP 55 CO 0.12 1.14 -0.42 0.11 -1.61 0.00 0.00 179.24 178.58 1zfs h LYS 56 N 0.94 0.93 -0.79 0.28 1.79 -1.41 -1.98 116.57 116.33 1zfs h LYS 56 Ca 0.15 -0.51 -0.05 0.00 -2.18 0.00 0.00 60.65 58.07 1zfs h LYS 56 Cb 0.65 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.29 1zfs h LYS 56 CO 0.04 1.16 0.31 0.97 -1.08 0.00 0.00 179.45 180.86 1zfs h ILE 57 N 0.75 1.26 0.03 1.86 6.09 -1.29 -2.39 117.51 123.81 1zfs h ILE 57 Ca 0.05 -0.83 -0.25 0.00 -1.37 0.00 0.00 64.86 62.45 1zfs h ILE 57 Cb 1.02 0.32 0.01 0.00 0.47 0.00 0.00 36.82 38.64 1zfs h ILE 57 CO 0.10 0.34 -1.05 0.24 -3.07 0.00 0.00 178.15 174.71 1zfs h MET 58 N 1.16 0.51 -0.44 2.19 2.86 -1.43 -3.21 114.93 116.56 1zfs h MET 58 Ca 0.26 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1zfs h MET 58 Cb 0.23 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1zfs h MET 58 CO -0.02 1.22 0.29 -0.22 1.06 0.00 0.00 176.91 179.24 1zfs h LYS 59 N 0.27 0.58 -0.01 1.72 3.64 -1.17 2.00 116.57 123.59 1zfs h LYS 59 Ca -0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1zfs h LYS 59 Cb 1.70 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1zfs h LYS 59 CO 0.19 0.38 0.01 1.49 -2.27 0.00 0.00 179.45 179.25 1zfs h GLU 60 N 0.59 0.01 0.00 1.90 4.57 -1.43 -3.24 114.58 116.98 1zfs h GLU 60 Ca 0.16 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1zfs h GLU 60 Cb -0.07 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1zfs h GLU 60 CO -0.03 0.01 -1.36 1.47 -1.18 0.00 0.00 179.01 177.91 1zfs n LEU 61 N -5.08 0.06 -1.11 1.64 -0.00 -1.04 -4.39 117.00 107.08 1zfs n LEU 61 Ca -0.07 -0.06 -0.03 0.00 -0.00 0.00 0.00 56.01 55.85 1zfs n LEU 61 Cb 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.51 1zfs n LEU 61 CO 0.33 0.01 0.58 -0.67 -0.00 0.00 0.00 177.39 177.64 1zfs n ASP 62 N -1.79 2.79 0.00 1.45 2.03 0.67 -4.37 116.55 117.33 1zfs n ASP 62 Ca -0.01 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.00 1zfs n ASP 62 Cb 0.26 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1zfs n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zfs n GLU 63 N 0.14 0.00 0.00 -0.67 1.02 -1.22 0.45 120.64 120.36 1zfs n GLU 63 Ca 0.11 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 1zfs n GLU 63 Cb 0.66 -1.71 0.55 0.00 -0.02 0.00 0.00 31.44 30.92 1zfs n GLU 63 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1zfs n ASN 64 N -1.17 0.00 -1.69 1.62 4.05 -1.26 -4.83 115.26 111.99 1zfs n ASN 64 Ca 0.00 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.84 1zfs n ASN 64 Cb 0.21 -0.30 -0.07 0.00 1.23 0.00 0.00 39.78 40.85 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1zfs n GLY 65 N 0.58 1.50 0.49 8.20 0.00 0.17 -4.80 105.19 111.33 1zfs n GLY 65 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.32 1.53 0.00 1.61 5.75 -1.26 -4.87 116.55 117.99 1zfs n ASP 66 Ca -0.20 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1zfs n ASP 66 Cb 0.64 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 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 1.18 0.00 3.08 6.12 0.00 -1.26 -4.86 105.19 109.45 1zfs n GLY 67 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.42 1.03 -0.07 1.61 2.02 -1.26 -3.21 118.70 117.40 1zfs s GLU 68 Ca 0.00 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.55 1zfs s GLU 68 Cb 0.00 -0.99 -0.03 0.00 0.10 0.00 0.00 34.13 33.21 1zfs s GLU 68 CO 0.00 0.27 -0.07 0.08 0.02 0.00 0.00 175.26 175.56 1zfs s VAL 69 N -0.29 3.68 -1.49 2.63 1.01 -0.91 -4.92 120.40 120.11 1zfs s VAL 69 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1zfs s VAL 69 Cb -0.05 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1zfs s VAL 69 CO -0.00 0.60 0.53 0.47 0.00 0.00 0.00 175.10 176.69 1zfs n ASP 70 N 2.22 0.37 0.00 3.32 8.00 -1.26 -2.02 116.55 127.18 1zfs n ASP 70 Ca -0.18 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1zfs n ASP 70 Cb 0.53 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.17 0.00 -0.25 1.24 7.35 -1.26 -4.27 117.46 120.10 1zfs n PHE 71 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1zfs n PHE 71 Cb 0.09 0.00 0.22 0.00 0.35 0.00 0.00 39.48 40.14 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 1.06 -0.46 -4.13 5.75 -2.01 -1.39 115.11 113.94 1zfs h GLN 72 Ca 0.00 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1zfs h GLN 72 Cb 0.00 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 1zfs h GLN 72 CO 0.00 0.71 0.30 0.93 -2.65 0.00 0.00 178.83 178.12 1zfs h GLU 73 N 1.09 0.60 -0.65 1.69 5.08 -1.94 -2.98 114.58 117.47 1zfs h GLU 73 Ca 0.29 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1zfs h GLU 73 Cb -0.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 1zfs h GLU 73 CO -0.06 0.39 0.43 0.35 -1.00 0.00 0.00 179.01 179.12 1zfs h PHE 74 N 0.61 0.82 -1.00 4.33 3.57 -1.61 -2.82 116.94 120.83 1zfs h PHE 74 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1zfs h PHE 74 Cb -0.07 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.35 1zfs h PHE 74 CO -0.05 0.52 0.67 -0.24 -2.23 0.00 0.00 178.31 176.98 1zfs h VAL 75 N 0.88 1.26 -0.38 1.41 3.04 -1.28 -2.66 116.25 118.52 1zfs h VAL 75 Ca 0.24 -0.47 -0.16 0.00 -1.01 0.00 0.00 66.70 65.30 1zfs h VAL 75 Cb -0.10 -0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 28.95 1zfs h VAL 75 CO -0.05 0.25 -0.40 0.58 -1.01 0.00 0.00 177.57 176.94 1zfs h VAL 76 N 1.36 1.27 0.48 1.51 2.07 -1.49 -2.11 116.25 119.35 1zfs h VAL 76 Ca 0.37 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1zfs h VAL 76 Cb -0.16 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1zfs h VAL 76 CO -0.08 0.53 -0.23 0.25 0.02 0.00 0.00 177.57 178.06 1zfs h LEU 77 N 0.77 -0.55 -0.88 2.57 5.85 -1.25 -3.01 115.31 118.82 1zfs h LEU 77 Ca 0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1zfs h LEU 77 Cb 1.00 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1zfs h LEU 77 CO 0.10 -0.20 -0.11 -0.37 -0.34 0.00 0.00 178.44 177.52 1zfs h VAL 78 N -0.93 0.23 0.04 1.05 -1.51 -1.61 -2.98 116.25 110.53 1zfs h VAL 78 Ca -0.07 -0.95 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1zfs h VAL 78 Cb 0.59 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1zfs h VAL 78 CO 0.11 0.10 -0.02 0.00 -1.23 0.00 0.00 177.57 176.53 1zfs h ALA 79 N 1.89 -0.05 -0.50 5.19 0.00 -1.39 -2.73 119.26 121.67 1zfs h ALA 79 Ca -0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1zfs h ALA 79 Cb 0.77 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1zfs h ALA 79 CO 0.01 -0.34 -0.19 0.00 0.00 0.00 0.00 179.25 178.73 1zfs h ALA 80 N 0.52 0.69 -0.01 0.00 0.00 -1.56 -2.59 119.26 116.32 1zfs h ALA 80 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1zfs h ALA 80 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1zfs h ALA 80 CO 0.01 0.67 0.01 1.25 0.00 0.00 0.00 179.25 181.19 1zfs h LEU 81 N 0.87 0.01 -0.53 0.00 5.85 -1.56 -2.51 115.31 117.45 1zfs h LEU 81 Ca 0.12 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1zfs h LEU 81 Cb 0.77 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1zfs h LEU 81 CO 0.06 0.03 -0.14 0.74 -0.34 0.00 0.00 178.44 178.79 1zfs h THR 82 N -0.00 1.27 -0.40 1.05 2.02 -1.51 -2.88 112.91 112.45 1zfs h THR 82 Ca 0.00 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1zfs h THR 82 Cb 0.02 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1zfs h THR 82 CO -0.00 0.46 0.21 0.58 0.37 0.00 0.00 175.52 177.14 1zfs h VAL 83 N 0.89 1.16 -0.95 3.16 2.07 -1.41 -2.64 116.25 118.52 1zfs h VAL 83 Ca 0.13 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1zfs h VAL 83 Cb 0.72 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1zfs h VAL 83 CO 0.05 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.39 1zfs h ALA 84 N 1.06 1.22 -0.97 1.67 0.00 -1.43 -2.50 119.26 118.31 1zfs h ALA 84 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1zfs h ALA 84 Cb 0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1zfs h ALA 84 CO -0.02 0.67 0.61 0.00 0.00 0.00 0.00 179.25 180.51 1zfs h ASN 86 N 1.33 1.11 -0.73 0.00 -0.00 -1.20 -2.51 115.58 113.57 1zfs h ASN 86 Ca 0.35 -0.16 -0.07 0.00 -0.00 0.00 0.00 56.30 56.43 1zfs h ASN 86 Cb -0.10 -0.29 -0.03 0.00 -0.00 0.00 0.00 38.32 37.90 1zfs h ASN 86 CO -0.07 0.96 0.20 -1.13 -0.00 0.00 0.00 177.43 177.39 1zfs h ASN 87 N 1.18 1.09 -0.79 1.15 -1.24 -1.28 0.21 115.58 115.91 1zfs h ASN 87 Ca 0.28 -0.22 -0.05 0.00 0.71 0.00 0.00 56.30 57.02 1zfs h ASN 87 Cb 0.18 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 1zfs h ASN 87 CO -0.03 1.03 0.31 -0.26 -1.29 0.00 0.00 177.43 177.19 1zfs h PHE 88 N 1.10 1.21 -0.28 0.67 0.04 -1.12 0.24 116.94 118.81 1zfs h PHE 88 Ca 0.23 -0.09 -0.19 0.00 2.80 0.00 0.00 57.97 60.72 1zfs h PHE 88 Cb 0.35 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1zfs h PHE 88 CO 0.03 0.92 -0.57 0.35 -0.60 0.00 0.00 178.31 178.44 1zfs h PHE 89 N 1.16 1.11 -0.51 -0.55 3.04 -1.15 -1.66 116.94 118.39 1zfs h PHE 89 Ca 0.26 -0.41 -0.06 0.00 3.98 0.00 0.00 57.97 61.75 1zfs h PHE 89 Cb 0.22 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1zfs h PHE 89 CO 0.02 1.24 0.08 2.35 -2.02 0.00 0.00 178.31 179.99 1zfs h TRP 90 N 0.67 0.90 -0.60 0.41 7.01 -0.55 -1.96 115.95 121.82 1zfs h TRP 90 Ca 0.01 -0.12 -0.09 0.00 2.11 0.00 0.00 58.89 60.80 1zfs h TRP 90 Cb 1.18 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 1zfs h TRP 90 CO 0.07 0.81 0.03 0.93 -2.79 0.00 0.00 178.44 177.50 1zfs h GLU 91 N 0.72 1.02 -1.01 2.65 4.39 -0.49 -2.63 114.58 119.24 1zfs h GLU 91 Ca 0.15 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1zfs h GLU 91 Cb 0.40 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 1zfs h GLU 91 CO 0.01 0.98 0.67 -0.97 -1.16 0.00 0.00 179.01 178.54 1zfs h ASN 92 N 0.94 1.15 0.00 1.42 -1.24 -0.98 -3.51 115.58 113.37 1zfs h ASN 92 Ca 0.18 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1zfs h ASN 92 Cb 0.50 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1zfs h ASN 92 CO 0.02 0.83 0.00 -0.24 -1.29 0.00 0.00 177.43 176.75