#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 5.59 0.04 1.61 7.64 -1.26 -4.54 113.62 122.70 1zfs n SER 2 Ca 0.00 -2.99 -0.12 0.00 1.01 0.00 0.00 58.87 56.77 1zfs n SER 2 Cb 0.00 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 1zfs n SER 2 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1zfs h GLU 3 N 3.76 0.00 -0.28 1.43 5.08 -2.05 2.34 114.58 124.85 1zfs h GLU 3 Ca 0.05 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1zfs h GLU 3 Cb 2.05 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1zfs h GLU 3 CO 0.54 0.00 -0.54 1.25 -1.00 0.00 0.00 179.01 179.26 1zfs h LEU 4 N 0.00 0.94 -0.88 1.33 6.46 -2.01 -2.18 115.31 118.97 1zfs h LEU 4 Ca 0.00 -0.50 -0.03 0.00 -0.12 0.00 0.00 57.88 57.24 1zfs h LEU 4 Cb 0.00 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.62 1zfs h LEU 4 CO -0.00 1.29 0.44 -0.08 -0.62 0.00 0.00 178.44 179.48 1zfs h GLU 5 N 0.65 1.24 0.00 1.25 4.81 -1.70 0.45 114.58 121.28 1zfs h GLU 5 Ca 0.02 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1zfs h GLU 5 Cb 1.14 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1zfs h GLU 5 CO 0.12 0.94 -0.06 1.15 -0.73 0.00 0.00 179.01 180.43 1zfs h THR 6 N 1.24 0.30 -0.48 0.32 2.02 0.42 -2.07 112.91 114.67 1zfs h THR 6 Ca 0.30 -0.37 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1zfs h THR 6 Cb 0.08 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1zfs h THR 6 CO -0.04 0.06 -0.16 0.00 0.37 0.00 0.00 175.52 175.75 1zfs h ALA 7 N 1.94 0.81 0.06 6.16 0.00 -0.26 -2.21 119.26 125.76 1zfs h ALA 7 Ca -0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 1zfs h ALA 7 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1zfs h ALA 7 CO 0.01 0.65 -1.07 0.52 0.00 0.00 0.00 179.25 179.36 1zfs h MET 8 N 0.81 0.27 -0.10 0.00 2.86 -1.33 -3.14 114.93 114.31 1zfs h MET 8 Ca 0.12 -0.37 -0.13 0.00 -2.06 0.00 0.00 59.70 57.26 1zfs h MET 8 Cb 0.70 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1zfs h MET 8 CO 0.05 1.11 -0.52 1.05 1.06 0.00 0.00 176.91 179.67 1zfs h GLU 9 N 0.11 0.27 0.05 1.72 4.11 -1.41 -2.56 114.58 116.86 1zfs h GLU 9 Ca -0.09 -0.16 -0.14 0.00 0.07 0.00 0.00 59.36 59.04 1zfs h GLU 9 Cb 1.75 0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.03 1zfs h GLU 9 CO 0.17 0.73 -0.59 0.00 0.07 0.00 0.00 179.01 179.39 1zfs h THR 10 N 0.21 1.49 0.00 -1.06 1.03 -1.47 -2.23 112.91 110.88 1zfs h THR 10 Ca 0.01 -2.22 -0.10 0.00 -0.01 0.00 0.00 66.41 64.09 1zfs h THR 10 Cb 0.99 2.86 -0.01 0.00 -1.07 0.00 0.00 68.15 70.92 1zfs h THR 10 CO 0.08 0.63 -0.46 0.17 -0.01 0.00 0.00 175.52 175.93 1zfs h LEU 11 N -0.30 0.00 -0.45 0.00 8.10 -1.62 -2.26 115.31 118.79 1zfs h LEU 11 Ca -0.09 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.73 1zfs h LEU 11 Cb 1.36 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.57 1zfs h LEU 11 CO 0.11 0.46 -0.55 0.40 -4.11 0.00 0.00 178.44 174.75 1zfs h ILE 12 N 0.00 1.31 -0.37 0.15 2.04 -1.51 -1.24 117.51 117.89 1zfs h ILE 12 Ca -0.00 -1.78 -0.16 0.00 1.00 0.00 0.00 64.86 63.91 1zfs h ILE 12 Cb 0.90 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1zfs h ILE 12 CO 0.06 0.56 -0.41 0.78 0.00 0.00 0.00 178.15 179.14 1zfs h ASN 13 N 0.50 1.00 0.42 1.72 -0.26 -1.18 -2.08 115.58 115.70 1zfs h ASN 13 Ca 0.01 -0.48 -0.14 0.00 -0.56 0.00 0.00 56.30 55.13 1zfs h ASN 13 Cb 1.12 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1zfs h ASN 13 CO 0.11 1.27 -0.60 0.58 -1.06 0.00 0.00 177.43 177.74 1zfs h VAL 14 N 0.75 1.40 -0.81 2.81 2.07 -1.43 0.64 116.25 121.67 1zfs h VAL 14 Ca 0.05 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 1zfs h VAL 14 Cb 1.01 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 1zfs h VAL 14 CO 0.10 0.58 0.34 0.15 0.02 0.00 0.00 177.57 178.76 1zfs h PHE 15 N 0.13 1.22 -0.00 1.57 3.57 -1.00 -0.95 116.94 121.48 1zfs h PHE 15 Ca -0.01 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1zfs h PHE 15 Cb 1.09 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1zfs h PHE 15 CO 0.02 0.91 -0.34 1.58 -2.23 0.00 0.00 178.31 178.24 1zfs n HIS 16 N -4.28 0.00 0.06 0.41 -0.00 -0.80 -1.69 115.22 108.91 1zfs n HIS 16 Ca 0.08 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.05 1zfs n HIS 16 Cb 0.17 -0.31 -0.11 0.00 -0.12 0.00 0.00 29.99 29.62 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 3.05 0.09 0.00 1.57 0.00 0.51 -3.03 119.26 121.44 1zfs h ALA 17 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 54.91 53.87 1zfs h ALA 17 Cb 0.49 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1zfs h ALA 17 CO 0.00 0.69 -2.21 0.72 0.00 0.00 0.00 179.25 178.45 1zfs n HIS 18 N -3.84 0.00 0.27 0.00 8.25 -0.97 -3.95 115.22 114.98 1zfs n HIS 18 Ca -0.12 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.48 1zfs n HIS 18 Cb 0.92 -0.82 0.74 0.00 1.12 0.00 0.00 29.99 31.95 1zfs n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1zfs h SER 19 N 0.00 0.00 0.38 0.41 0.87 -1.52 -0.03 113.55 113.66 1zfs h SER 19 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1zfs h SER 19 Cb 1.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1zfs h SER 19 CO -0.07 0.10 -0.39 0.61 -0.53 0.00 0.00 176.83 176.55 1zfs n GLY 20 N -0.52 -0.96 0.17 5.77 0.00 -1.15 -3.70 105.19 104.81 1zfs n GLY 20 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 0.55 0.16 -5.17 1.61 3.64 -1.12 -3.40 116.57 112.85 1zfs h LYS 21 Ca 0.00 -0.10 -0.66 0.00 -1.27 0.00 0.00 60.65 58.62 1zfs h LYS 21 Cb 0.50 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.17 1zfs h LYS 21 CO 0.00 0.68 -0.06 -1.21 -2.27 0.00 0.00 179.45 176.59 1zfs s GLU 22 N -3.82 3.40 0.29 1.90 2.02 -1.23 -4.91 118.70 116.35 1zfs s GLU 22 Ca -0.03 -0.38 0.25 0.00 0.02 0.00 0.00 54.97 54.83 1zfs s GLU 22 Cb 0.13 -3.88 0.93 0.00 0.10 0.00 0.00 34.13 31.40 1zfs s GLU 22 CO 0.78 -0.78 0.87 0.41 0.02 0.00 0.00 175.26 176.55 1zfs n GLY 23 N 4.95 -0.53 2.08 -1.39 0.00 -1.26 -1.01 105.19 108.03 1zfs n GLY 23 Ca -0.05 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.26 3.01 0.00 1.61 8.00 -1.26 -4.44 116.55 120.20 1zfs n ASP 24 Ca 0.24 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1zfs n ASP 24 Cb 1.06 -0.77 0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1zfs n ASP 24 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zfs n LYS 25 N 2.45 0.08 0.00 -1.24 5.02 -0.18 -2.18 118.16 122.11 1zfs n LYS 25 Ca 0.18 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 1zfs n LYS 25 Cb 0.46 -1.17 0.37 0.00 -0.02 0.00 0.00 35.03 34.67 1zfs n LYS 25 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1zfs n TYR 26 N -0.67 0.01 -3.48 2.13 4.01 -1.26 -4.93 117.16 112.96 1zfs n TYR 26 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1zfs n TYR 26 Cb 0.00 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 38.68 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 -3.00 1.26 0.67 -0.72 2.20 -0.93 -5.09 119.74 114.14 1zfs s LYS 27 Ca 0.12 -0.50 -0.09 0.00 -0.36 0.00 0.00 55.97 55.15 1zfs s LYS 27 Cb 0.18 0.56 0.03 0.00 -1.51 0.00 0.00 37.83 37.08 1zfs s LYS 27 CO 0.65 -0.55 1.02 -1.17 -0.36 0.00 0.00 175.35 174.93 1zfs s LEU 28 N -2.73 2.96 0.15 5.43 2.96 -0.84 -4.95 118.68 121.66 1zfs s LEU 28 Ca 0.03 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 1zfs s LEU 28 Cb -0.01 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1zfs s LEU 28 CO -0.10 -1.35 0.02 -0.55 -1.32 0.00 0.00 176.35 173.05 1zfs s SER 29 N -4.39 0.83 0.25 3.68 0.15 -1.26 -2.43 113.70 110.52 1zfs s SER 29 Ca 0.57 -1.18 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 1zfs s SER 29 Cb -0.11 0.19 0.26 0.00 -1.71 0.00 0.00 66.02 64.65 1zfs s SER 29 CO 0.48 -0.63 1.93 0.50 1.20 0.00 0.00 173.24 176.71 1zfs h LYS 30 N 2.78 1.32 -0.18 5.44 3.64 -1.94 -2.42 116.57 125.22 1zfs h LYS 30 Ca -0.36 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 58.80 1zfs h LYS 30 Cb 1.20 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1zfs h LYS 30 CO 0.61 0.88 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.96 1zfs h LYS 31 N 1.36 0.48 0.01 1.90 1.63 -1.96 -2.69 116.57 117.28 1zfs h LYS 31 Ca 0.37 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1zfs h LYS 31 Cb -0.15 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1zfs h LYS 31 CO -0.08 0.86 -0.00 0.93 -3.45 0.00 0.00 179.45 177.71 1zfs h GLU 32 N 0.38 -0.01 -0.01 1.90 5.08 -1.84 -2.79 114.58 117.28 1zfs h GLU 32 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1zfs h GLU 32 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1zfs h GLU 32 CO 0.09 0.18 -0.31 1.37 -1.00 0.00 0.00 179.01 179.34 1zfs h LEU 33 N -0.19 0.02 -0.97 1.33 8.10 -1.49 -2.61 115.31 119.50 1zfs h LEU 33 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1zfs h LEU 33 Cb 0.19 -0.01 -0.05 0.00 -0.44 0.00 0.00 40.66 40.36 1zfs h LEU 33 CO 0.00 0.33 0.60 0.50 -4.11 0.00 0.00 178.44 175.77 1zfs h LYS 34 N 0.02 1.30 -0.44 0.17 1.63 -1.26 -2.48 116.57 115.51 1zfs h LYS 34 Ca 0.00 -0.11 -0.15 0.00 -0.85 0.00 0.00 60.65 59.55 1zfs h LYS 34 Cb 0.56 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1zfs h LYS 34 CO 0.04 0.89 -0.29 0.22 -3.45 0.00 0.00 179.45 176.86 1zfs h ASP 35 N 1.33 1.02 -0.64 4.20 1.82 -1.21 -2.76 116.42 120.19 1zfs h ASP 35 Ca 0.35 -0.43 -0.09 0.00 -0.39 0.00 0.00 57.03 56.47 1zfs h ASP 35 Cb -0.09 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.61 1zfs h ASP 35 CO -0.07 1.23 0.04 -0.07 -1.61 0.00 0.00 179.24 178.76 1zfs h LEU 36 N 0.82 1.07 -0.06 2.28 3.38 -1.34 -1.53 115.31 119.94 1zfs h LEU 36 Ca 0.09 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 1zfs h LEU 36 Cb 0.88 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1zfs h LEU 36 CO 0.08 1.09 -0.52 -0.07 0.09 0.00 0.00 178.44 179.11 1zfs h LEU 37 N 1.01 0.56 -1.50 1.67 3.38 -1.47 -2.74 115.31 116.22 1zfs h LEU 37 Ca 0.19 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1zfs h LEU 37 Cb 0.52 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1zfs h LEU 37 CO 0.02 1.16 -0.00 0.06 0.09 0.00 0.00 178.44 179.78 1zfs h GLN 38 N -0.00 0.00 0.00 1.13 3.07 -1.51 0.68 115.11 118.48 1zfs h GLN 38 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 1zfs h GLN 38 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 1zfs h GLN 38 CO 0.11 0.00 -0.12 1.79 0.09 0.00 0.00 178.83 180.70 1zfs h THR 39 N 0.00 0.48 0.00 1.86 1.35 -1.22 -3.39 112.91 111.99 1zfs h THR 39 Ca -0.00 -1.38 -0.08 0.00 -0.55 0.00 0.00 66.41 64.39 1zfs h THR 39 Cb 0.50 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1zfs h THR 39 CO 0.00 0.16 -1.47 -0.62 -0.25 0.00 0.00 175.52 173.34 1zfs n GLU 40 N -4.70 1.69 -0.65 4.72 1.02 -1.04 -4.65 120.64 117.03 1zfs n GLU 40 Ca -0.05 -0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.08 1zfs n GLU 40 Cb 0.18 -1.20 0.25 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.08 4.32 -0.36 -4.62 4.32 -0.53 -4.68 117.00 113.37 1zfs n LEU 41 Ca -0.08 -3.29 -0.02 0.00 -0.02 0.00 0.00 56.01 52.60 1zfs n LEU 41 Cb 0.53 -0.61 0.10 0.00 -1.62 0.00 0.00 43.42 41.83 1zfs n LEU 41 CO 0.17 0.87 1.28 0.77 -1.22 0.00 0.00 177.39 179.27 1zfs h SER 42 N 1.65 1.11 -0.29 -1.43 4.64 0.13 -1.57 113.55 117.80 1zfs h SER 42 Ca 0.12 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1zfs h SER 42 Cb 1.66 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1zfs h SER 42 CO 0.36 0.80 -0.46 0.77 -0.87 0.00 0.00 176.83 177.44 1zfs h SER 43 N 1.31 0.90 0.00 4.97 4.64 -1.85 -3.35 113.55 120.18 1zfs h SER 43 Ca 0.36 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1zfs h SER 43 Cb -0.14 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.69 1zfs h SER 43 CO -0.08 1.25 0.00 0.49 -0.87 0.00 0.00 176.83 177.62 1zfs n PHE 44 N -4.10 0.00 -2.65 4.77 3.72 -1.12 -4.50 117.46 113.58 1zfs n PHE 44 Ca -0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 1zfs n PHE 44 Cb 0.58 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1zfs n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1zfs s LEU 45 N -3.97 3.69 -0.57 4.37 1.43 -0.61 -4.92 118.68 118.10 1zfs s LEU 45 Ca 0.00 -0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 51.86 1zfs s LEU 45 Cb 0.00 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 1zfs s LEU 45 CO 0.00 -1.60 2.42 -0.90 0.23 0.00 0.00 176.35 176.51 1zfs n ASP 46 N 8.63 2.15 -0.00 2.29 5.75 -1.26 -4.46 116.55 129.64 1zfs n ASP 46 Ca 0.11 -0.71 0.05 0.00 -0.01 0.00 0.00 54.79 54.23 1zfs n ASP 46 Cb 0.49 -1.58 -0.07 0.00 -1.03 0.00 0.00 41.12 38.92 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 8.15 0.00 -0.06 2.12 3.14 -1.26 -4.54 118.33 125.88 1zfs n VAL 47 Ca 0.40 -0.24 -0.03 0.00 -2.96 0.00 0.00 64.34 61.51 1zfs n VAL 47 Cb 0.51 0.50 -0.01 0.00 -1.06 0.00 0.00 33.84 33.79 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 -0.35 1.45 4.20 -1.87 -3.36 115.11 115.18 1zfs h GLN 48 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1zfs h GLN 48 Cb 0.38 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1zfs h GLN 48 CO 0.00 0.00 0.23 1.57 -0.67 0.00 0.00 178.83 179.96 1zfs h LYS 49 N -0.99 0.46 -3.55 1.46 -0.00 -1.95 -3.25 116.57 108.74 1zfs h LYS 49 Ca 0.00 -0.03 -0.80 0.00 -0.00 0.00 0.00 60.65 59.83 1zfs h LYS 49 Cb 0.29 -0.10 -0.27 0.00 -0.00 0.00 0.00 32.23 32.15 1zfs h LYS 49 CO 0.00 0.31 0.59 -0.25 -0.00 0.00 0.00 179.45 180.10 1zfs n ASP 50 N -4.84 5.63 0.33 7.07 8.00 -1.26 -4.79 116.55 126.69 1zfs n ASP 50 Ca -0.00 -3.09 0.19 0.00 0.71 0.00 0.00 54.79 52.59 1zfs n ASP 50 Cb 0.02 -1.38 1.00 0.00 -0.02 0.00 0.00 41.12 40.75 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 6.49 1.18 0.00 2.24 0.00 -1.71 1.75 119.26 129.20 1zfs h ALA 51 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1zfs h ALA 51 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1zfs h ALA 51 CO 1.09 -0.18 -0.27 0.22 0.00 0.00 0.00 179.25 180.11 1zfs h ASP 52 N 0.00 0.00 -0.12 0.00 1.82 -1.89 -2.81 116.42 113.41 1zfs h ASP 52 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 1zfs h ASP 52 Cb 0.36 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1zfs h ASP 52 CO 0.00 0.27 -0.14 0.00 -1.61 0.00 0.00 179.24 177.76 1zfs h ALA 53 N 1.73 1.23 0.00 -0.78 0.00 0.23 -2.24 119.26 119.44 1zfs h ALA 53 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1zfs h ALA 53 Cb 0.87 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1zfs h ALA 53 CO 0.04 0.50 -0.60 -0.24 0.00 0.00 0.00 179.25 178.94 1zfs h VAL 54 N 0.45 1.10 -0.29 0.00 3.04 -1.49 -2.29 116.25 116.76 1zfs h VAL 54 Ca 0.08 -2.38 -0.15 0.00 -1.01 0.00 0.00 66.70 63.25 1zfs h VAL 54 Cb 0.51 2.42 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 1zfs h VAL 54 CO 0.03 0.59 -0.43 -0.78 -1.01 0.00 0.00 177.57 175.98 1zfs h ASP 55 N 0.00 0.78 -0.40 3.17 1.82 -1.37 -2.13 116.42 118.29 1zfs h ASP 55 Ca -0.01 -0.36 -0.16 0.00 -0.39 0.00 0.00 57.03 56.11 1zfs h ASP 55 Cb 1.37 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1zfs h ASP 55 CO 0.08 1.10 -0.36 0.11 -1.61 0.00 0.00 179.24 178.55 1zfs h LYS 56 N 0.58 0.95 -0.54 0.28 1.79 -1.39 -1.91 116.57 116.33 1zfs h LYS 56 Ca 0.04 -0.49 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 1zfs h LYS 56 Cb 0.98 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 1zfs h LYS 56 CO 0.09 1.15 0.06 0.97 -1.08 0.00 0.00 179.45 180.64 1zfs h ILE 57 N 0.78 1.24 -0.01 1.86 2.10 -1.30 -2.47 117.51 119.71 1zfs h ILE 57 Ca 0.07 -0.95 -0.19 0.00 1.08 0.00 0.00 64.86 64.87 1zfs h ILE 57 Cb 0.96 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 1zfs h ILE 57 CO 0.09 0.35 -0.84 0.24 -1.08 0.00 0.00 178.15 176.91 1zfs h MET 58 N 0.82 0.22 -0.53 2.19 2.86 -1.30 -3.27 114.93 115.92 1zfs h MET 58 Ca 0.17 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1zfs h MET 58 Cb 0.40 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1zfs h MET 58 CO 0.01 0.94 -0.14 -0.22 1.06 0.00 0.00 176.91 178.56 1zfs h LYS 59 N 0.13 1.04 -0.82 1.72 3.64 -1.05 0.47 116.57 121.70 1zfs h LYS 59 Ca -0.04 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1zfs h LYS 59 Cb 1.45 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1zfs h LYS 59 CO 0.13 1.09 0.39 1.49 -2.27 0.00 0.00 179.45 180.28 1zfs h GLU 60 N 0.91 1.19 0.00 1.90 4.57 -1.50 -3.10 114.58 118.55 1zfs h GLU 60 Ca 0.13 -0.18 -0.26 0.00 -1.18 0.00 0.00 59.36 57.88 1zfs h GLU 60 Cb 0.72 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 1zfs h GLU 60 CO 0.06 0.92 -2.09 1.47 -1.18 0.00 0.00 179.01 178.19 1zfs n LEU 61 N -4.33 0.00 -1.34 1.64 -0.00 -1.20 -4.23 117.00 107.55 1zfs n LEU 61 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.03 1zfs n LEU 61 Cb 0.14 0.35 0.03 0.00 -0.00 0.00 0.00 43.42 43.95 1zfs n LEU 61 CO 0.40 0.35 0.75 -0.67 -0.00 0.00 0.00 177.39 178.21 1zfs n ASP 62 N -2.54 3.66 0.31 1.45 2.03 0.16 -4.34 116.55 117.29 1zfs n ASP 62 Ca -0.23 -2.41 0.10 0.00 0.52 0.00 0.00 54.79 52.77 1zfs n ASP 62 Cb 0.95 -0.67 0.56 0.00 -0.72 0.00 0.00 41.12 41.24 1zfs n ASP 62 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1zfs h GLU 63 N 0.40 0.00 0.00 -0.67 4.81 -1.71 2.14 114.58 119.55 1zfs h GLU 63 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1zfs h GLU 63 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1zfs h GLU 63 CO 0.26 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 176.83 1zfs n ASN 64 N -2.68 0.34 -2.56 1.04 4.05 -1.26 -4.88 115.26 109.31 1zfs n ASN 64 Ca -0.01 0.57 -0.17 0.00 0.45 0.00 0.00 54.58 55.41 1zfs n ASN 64 Cb 0.53 -0.64 0.05 0.00 1.23 0.00 0.00 39.78 40.94 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 0.37 -0.15 0.05 8.20 0.00 0.72 -4.91 105.19 109.48 1zfs n GLY 65 Ca 0.04 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1zfs n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zfs n ASP 66 N -1.61 0.79 0.00 1.61 8.00 -1.26 -4.89 116.55 119.19 1zfs n ASP 66 Ca -0.03 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1zfs n ASP 66 Cb 0.56 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1zfs n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zfs n GLY 67 N 1.48 0.31 3.15 0.44 0.00 -1.26 -4.89 105.19 104.42 1zfs n GLY 67 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.73 0.92 -0.07 1.61 2.02 -1.26 -3.23 118.70 117.96 1zfs s GLU 68 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.23 1zfs s GLU 68 Cb 0.00 -0.93 -0.02 0.00 0.10 0.00 0.00 34.13 33.28 1zfs s GLU 68 CO 0.00 0.23 -0.17 0.08 0.02 0.00 0.00 175.26 175.41 1zfs s VAL 69 N -0.93 2.78 -1.32 2.63 1.01 -1.02 -4.90 120.40 118.65 1zfs s VAL 69 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1zfs s VAL 69 Cb -0.08 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1zfs s VAL 69 CO 0.01 0.57 0.40 0.47 0.00 0.00 0.00 175.10 176.56 1zfs n ASP 70 N 2.70 0.42 0.00 3.32 8.00 -1.26 -1.98 116.55 127.75 1zfs n ASP 70 Ca -0.17 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1zfs n ASP 70 Cb 0.52 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.02 0.00 -0.28 1.24 7.35 -1.26 -4.23 117.46 120.25 1zfs n PHE 71 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1zfs n PHE 71 Cb 0.10 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.12 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 1.13 -1.01 -4.13 4.15 -2.02 -0.51 115.11 112.73 1zfs h GLN 72 Ca 0.00 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.36 1zfs h GLN 72 Cb 0.00 -0.25 -0.05 0.00 0.21 0.00 0.00 27.48 27.39 1zfs h GLN 72 CO 0.00 0.75 0.67 0.93 -1.93 0.00 0.00 178.83 179.25 1zfs h GLU 73 N 1.17 1.33 -0.39 1.69 5.08 -1.94 -2.86 114.58 118.65 1zfs h GLU 73 Ca 0.31 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1zfs h GLU 73 Cb -0.13 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 28.80 1zfs h GLU 73 CO -0.07 0.88 0.20 0.35 -1.00 0.00 0.00 179.01 179.37 1zfs h PHE 74 N 1.37 0.56 -0.96 4.33 3.57 -1.44 -2.91 116.94 121.45 1zfs h PHE 74 Ca 0.37 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.86 1zfs h PHE 74 Cb -0.16 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.36 1zfs h PHE 74 CO -0.00 0.45 0.64 -0.24 -2.23 0.00 0.00 178.31 176.93 1zfs h VAL 75 N 0.50 1.25 -0.45 1.41 3.04 -1.22 -2.62 116.25 118.16 1zfs h VAL 75 Ca 0.14 -0.45 -0.14 0.00 -1.01 0.00 0.00 66.70 65.23 1zfs h VAL 75 Cb 0.10 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.20 1zfs h VAL 75 CO -0.02 0.24 -0.29 0.58 -1.01 0.00 0.00 177.57 177.07 1zfs h VAL 76 N 1.30 1.27 0.45 1.51 2.07 -1.50 -1.72 116.25 119.64 1zfs h VAL 76 Ca 0.35 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 1zfs h VAL 76 Cb -0.15 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1zfs h VAL 76 CO -0.08 0.50 -0.22 0.25 0.02 0.00 0.00 177.57 178.04 1zfs h LEU 77 N 0.83 -0.51 -0.68 2.57 5.85 -1.28 -3.06 115.31 119.02 1zfs h LEU 77 Ca 0.09 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1zfs h LEU 77 Cb 0.88 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1zfs h LEU 77 CO 0.08 -0.16 -0.13 -0.37 -0.34 0.00 0.00 178.44 177.51 1zfs h VAL 78 N -0.91 0.27 -0.09 1.05 -1.51 -1.59 -2.83 116.25 110.64 1zfs h VAL 78 Ca -0.06 -1.09 -0.02 0.00 -1.23 0.00 0.00 66.70 64.30 1zfs h VAL 78 Cb 0.57 1.87 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 1zfs h VAL 78 CO 0.10 0.13 -0.02 0.00 -1.23 0.00 0.00 177.57 176.55 1zfs h ALA 79 N 1.87 0.12 -0.29 5.19 0.00 -1.34 -2.66 119.26 122.15 1zfs h ALA 79 Ca -0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1zfs h ALA 79 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1zfs h ALA 79 CO 0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 179.25 178.70 1zfs h ALA 80 N 0.67 0.70 0.47 0.00 0.00 -1.57 -2.65 119.26 116.90 1zfs h ALA 80 Ca 0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1zfs h ALA 80 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1zfs h ALA 80 CO 0.01 0.67 -0.23 1.25 0.00 0.00 0.00 179.25 180.95 1zfs h LEU 81 N 0.58 -0.54 -0.72 0.00 7.12 -1.49 -2.46 115.31 117.81 1zfs h LEU 81 Ca 0.04 -0.03 -0.07 0.00 0.13 0.00 0.00 57.88 57.96 1zfs h LEU 81 Cb 0.98 0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.22 1zfs h LEU 81 CO 0.09 -0.32 0.18 0.74 -0.13 0.00 0.00 178.44 179.00 1zfs h THR 82 N -0.73 1.26 -0.85 1.05 2.02 -1.55 -2.92 112.91 111.19 1zfs h THR 82 Ca -0.07 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.14 1zfs h THR 82 Cb 0.53 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1zfs h THR 82 CO 0.11 0.38 0.56 0.58 0.37 0.00 0.00 175.52 177.52 1zfs h VAL 83 N 1.09 1.22 -0.90 3.16 2.07 -1.45 -1.84 116.25 119.60 1zfs h VAL 83 Ca 0.23 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1zfs h VAL 83 Cb 0.38 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1zfs h VAL 83 CO 0.00 0.21 0.59 0.00 0.02 0.00 0.00 177.57 178.40 1zfs h ALA 84 N 1.31 1.35 -1.00 1.67 0.00 -1.25 -2.08 119.26 119.25 1zfs h ALA 84 Ca 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1zfs h ALA 84 Cb -0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.24 1zfs h ALA 84 CO -0.07 0.60 0.66 0.00 0.00 0.00 0.00 179.25 180.45 1zfs h ASN 86 N 1.36 1.15 -0.99 0.00 -1.24 -1.15 -2.10 115.58 112.62 1zfs h ASN 86 Ca 0.37 -0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.36 1zfs h ASN 86 Cb -0.16 -0.29 -0.05 0.00 0.73 0.00 0.00 38.32 38.56 1zfs h ASN 86 CO -0.08 0.84 0.66 0.78 -1.29 0.00 0.00 177.43 178.33 1zfs h ASN 87 N 1.36 1.13 -0.92 1.15 -0.26 -1.32 -0.77 115.58 115.96 1zfs h ASN 87 Ca 0.37 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 56.07 1zfs h ASN 87 Cb -0.16 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 36.78 1zfs h ASN 87 CO -0.08 0.82 0.53 -0.26 -1.06 0.00 0.00 177.43 177.38 1zfs h PHE 88 N 1.34 1.24 -0.47 1.19 0.04 -1.27 -1.26 116.94 117.75 1zfs h PHE 88 Ca 0.36 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.04 1zfs h PHE 88 Cb -0.15 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 37.58 1zfs h PHE 88 CO -0.00 0.84 -0.02 0.35 -0.60 0.00 0.00 178.31 178.88 1zfs h PHE 89 N 1.28 0.84 -0.73 -0.55 3.57 -0.97 -2.53 116.94 117.85 1zfs h PHE 89 Ca 0.33 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1zfs h PHE 89 Cb -0.01 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1zfs h PHE 89 CO 0.01 0.79 0.22 2.35 -2.23 0.00 0.00 178.31 179.44 1zfs h TRP 90 N 0.73 1.18 -0.95 0.41 2.91 -0.13 -2.47 115.95 117.63 1zfs h TRP 90 Ca 0.14 -0.12 0.01 0.00 1.13 0.00 0.00 58.89 60.05 1zfs h TRP 90 Cb 0.47 -0.34 -0.05 0.00 -0.51 0.00 0.00 29.16 28.74 1zfs h TRP 90 CO 0.02 0.94 0.63 0.93 -1.03 0.00 0.00 178.44 179.93 1zfs h GLU 91 N 1.09 1.24 -1.01 2.65 5.08 -0.85 -1.51 114.58 121.28 1zfs h GLU 91 Ca 0.23 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1zfs h GLU 91 Cb 0.32 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1zfs h GLU 91 CO -0.01 0.82 0.67 -0.91 -1.00 0.00 0.00 179.01 178.58 1zfs h ASN 92 N 1.28 1.16 0.00 1.42 -0.26 -1.23 -3.52 115.58 114.43 1zfs h ASN 92 Ca 0.35 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1zfs h ASN 92 Cb -0.13 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 36.84 1zfs h ASN 92 CO -0.08 0.84 0.00 -0.24 -1.06 0.00 0.00 177.43 176.89