#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 4.68 0.03 1.61 7.64 -1.26 -4.52 113.62 121.80 1zfs n SER 2 Ca 0.00 -2.43 -0.12 0.00 1.01 0.00 0.00 58.87 57.33 1zfs n SER 2 Cb 0.00 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 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 4.00 0.02 -0.24 1.43 5.08 -2.06 1.01 114.58 123.81 1zfs h GLU 3 Ca 0.00 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1zfs h GLU 3 Cb 1.42 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1zfs h GLU 3 CO 0.22 0.01 -0.49 1.25 -1.00 0.00 0.00 179.01 179.00 1zfs h LEU 4 N 0.02 0.73 -0.93 1.33 6.46 -2.01 -2.85 115.31 118.06 1zfs h LEU 4 Ca 0.01 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 1zfs h LEU 4 Cb -0.00 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.68 1zfs h LEU 4 CO -0.00 1.10 0.54 -0.08 -0.62 0.00 0.00 178.44 179.37 1zfs h GLU 5 N 0.53 1.27 0.00 1.25 4.81 -1.66 -0.04 114.58 120.75 1zfs h GLU 5 Ca 0.02 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1zfs h GLU 5 Cb 1.05 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1zfs h GLU 5 CO 0.10 0.91 -0.03 1.15 -0.73 0.00 0.00 179.01 180.41 1zfs h THR 6 N 1.29 0.11 -0.31 0.32 2.02 0.13 -2.15 112.91 114.32 1zfs h THR 6 Ca 0.33 -0.33 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 1zfs h THR 6 Cb -0.02 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1zfs h THR 6 CO -0.06 0.03 -0.52 0.00 0.37 0.00 0.00 175.52 175.33 1zfs h ALA 7 N 1.97 0.48 -0.31 6.16 0.00 -0.79 -2.11 119.26 124.66 1zfs h ALA 7 Ca -0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 1zfs h ALA 7 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1zfs h ALA 7 CO 0.00 0.68 -0.52 1.98 0.00 0.00 0.00 179.25 181.39 1zfs h MET 8 N 0.69 0.90 -0.16 0.00 -1.53 -1.30 -3.01 114.93 110.52 1zfs h MET 8 Ca 0.02 -0.55 -0.14 0.00 -3.44 0.00 0.00 59.70 55.59 1zfs h MET 8 Cb 1.13 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 32.23 1zfs h MET 8 CO 0.12 1.19 -0.49 1.05 0.14 0.00 0.00 176.91 178.92 1zfs h GLU 9 N 0.70 0.41 0.01 0.39 4.11 -1.47 -3.08 114.58 115.65 1zfs h GLU 9 Ca 0.02 -0.24 -0.00 0.00 0.07 0.00 0.00 59.36 59.22 1zfs h GLU 9 Cb 1.13 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1zfs h GLU 9 CO 0.12 0.81 -0.01 0.00 0.07 0.00 0.00 179.01 180.01 1zfs h THR 10 N 0.33 1.27 0.00 -1.06 1.03 -1.40 -2.39 112.91 110.68 1zfs h THR 10 Ca 0.02 -1.88 -0.01 0.00 -0.01 0.00 0.00 66.41 64.53 1zfs h THR 10 Cb 0.98 2.36 -0.00 0.00 -1.07 0.00 0.00 68.15 70.42 1zfs h THR 10 CO 0.09 0.42 -0.04 0.17 -0.01 0.00 0.00 175.52 176.14 1zfs h LEU 11 N -0.97 0.00 -0.38 0.00 8.10 -1.67 -0.70 115.31 119.69 1zfs h LEU 11 Ca -0.00 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.80 1zfs h LEU 11 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.91 1zfs h LEU 11 CO 0.00 0.04 -0.79 0.40 -4.11 0.00 0.00 178.44 173.99 1zfs h ILE 12 N 0.00 1.43 -0.21 0.15 2.04 -1.60 -2.13 117.51 117.19 1zfs h ILE 12 Ca -0.00 -2.34 -0.09 0.00 1.00 0.00 0.00 64.86 63.42 1zfs h ILE 12 Cb 0.10 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1zfs h ILE 12 CO 0.01 0.69 -0.23 0.78 0.00 0.00 0.00 178.15 179.39 1zfs h ASN 13 N 0.17 0.57 0.17 1.72 2.35 -0.60 -2.05 115.58 117.93 1zfs h ASN 13 Ca -0.04 -0.49 -0.13 0.00 -0.55 0.00 0.00 56.30 55.10 1zfs h ASN 13 Cb 1.38 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1zfs h ASN 13 CO 0.13 0.94 -0.46 -0.37 -1.65 0.00 0.00 177.43 176.01 1zfs h VAL 14 N 0.22 1.33 -1.00 2.81 -1.51 -1.51 -0.15 116.25 116.43 1zfs h VAL 14 Ca 0.03 -1.66 0.01 0.00 -1.23 0.00 0.00 66.70 63.85 1zfs h VAL 14 Cb 0.79 1.73 -0.05 0.00 -2.13 0.00 0.00 31.29 31.63 1zfs h VAL 14 CO 0.06 0.50 0.66 0.15 -1.23 0.00 0.00 177.57 177.71 1zfs h PHE 15 N 0.29 1.27 0.00 5.19 3.04 -1.25 -0.80 116.94 124.67 1zfs h PHE 15 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1zfs h PHE 15 Cb 0.93 -0.43 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1zfs h PHE 15 CO 0.02 0.80 -0.42 1.58 -2.02 0.00 0.00 178.31 178.28 1zfs n HIS 16 N -4.38 0.05 0.01 0.41 -0.00 -0.78 -1.96 115.22 108.56 1zfs n HIS 16 Ca 0.12 0.01 -0.19 0.00 0.46 0.00 0.00 57.72 58.12 1zfs n HIS 16 Cb 0.01 -0.33 -0.09 0.00 -0.12 0.00 0.00 29.99 29.47 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 2.96 0.22 0.00 1.57 0.00 0.44 -3.21 119.26 121.25 1zfs h ALA 17 Ca 0.00 -0.65 -0.36 0.00 0.00 0.00 0.00 54.91 53.91 1zfs h ALA 17 Cb 0.52 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1zfs h ALA 17 CO 0.00 0.68 -2.35 0.72 0.00 0.00 0.00 179.25 178.31 1zfs n HIS 18 N -3.90 0.00 -0.38 0.00 8.25 -0.95 -4.01 115.22 114.23 1zfs n HIS 18 Ca -0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.35 1zfs n HIS 18 Cb 0.81 -0.94 0.11 0.00 1.12 0.00 0.00 29.99 31.09 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 1.15 -0.15 0.41 0.02 -1.56 -0.73 113.55 112.70 1zfs h SER 19 Ca -0.53 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1zfs h SER 19 Cb 2.02 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.27 1zfs h SER 19 CO -0.02 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 1zfs n GLY 20 N -1.38 0.20 0.12 -3.77 0.00 -1.21 -3.30 105.19 95.85 1zfs n GLY 20 Ca 0.12 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 2.10 0.00 -0.03 1.61 3.64 -1.26 -3.33 116.57 119.30 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 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1zfs h LYS 21 CO 0.00 0.06 -0.12 0.39 -2.27 0.00 0.00 179.45 177.50 1zfs n GLU 22 N -2.77 2.04 0.00 1.90 -0.58 -1.19 -4.94 120.64 115.10 1zfs n GLU 22 Ca -0.01 -1.69 0.00 0.00 -0.42 0.00 0.00 57.16 55.04 1zfs n GLU 22 Cb 0.59 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zfs n GLY 23 N 1.37 2.14 1.61 0.62 0.00 -1.25 -4.85 105.19 104.82 1zfs n GLY 23 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1zfs n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zfs n ASP 24 N 0.00 5.21 0.33 1.61 8.00 -1.25 -4.49 116.55 125.96 1zfs n ASP 24 Ca 0.00 -2.67 0.13 0.00 0.71 0.00 0.00 54.79 52.96 1zfs n ASP 24 Cb 0.00 -0.96 0.70 0.00 -0.02 0.00 0.00 41.12 40.85 1zfs n ASP 24 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1zfs h LYS 25 N 0.99 0.00 0.00 -1.24 3.64 -1.86 0.19 116.57 118.29 1zfs h LYS 25 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1zfs h LYS 25 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1zfs h LYS 25 CO 0.38 0.00 -1.04 2.48 -2.27 0.00 0.00 179.45 179.00 1zfs n TYR 26 N -2.84 0.25 -3.75 1.91 4.11 -1.26 -4.86 117.16 110.71 1zfs n TYR 26 Ca -0.02 0.07 -0.13 0.00 -0.00 0.00 0.00 57.90 57.83 1zfs n TYR 26 Cb 0.47 -0.42 -0.08 0.00 -0.00 0.00 0.00 39.34 39.31 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1zfs s LYS 27 N -3.19 0.73 0.68 -3.48 2.20 0.68 -5.05 119.74 112.30 1zfs s LYS 27 Ca 0.04 -0.30 -0.11 0.00 -0.36 0.00 0.00 55.97 55.23 1zfs s LYS 27 Cb 0.14 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.78 1zfs s LYS 27 CO 0.80 -0.22 1.08 -1.17 -0.36 0.00 0.00 175.35 175.49 1zfs s LEU 28 N -1.60 2.99 0.17 5.43 2.96 -0.93 -4.67 118.68 123.03 1zfs s LEU 28 Ca -0.10 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1zfs s LEU 28 Cb -0.03 -4.10 -0.05 0.00 0.50 0.00 0.00 46.19 42.51 1zfs s LEU 28 CO 0.02 -1.23 0.01 -0.55 -1.32 0.00 0.00 176.35 173.28 1zfs s SER 29 N -4.28 1.16 0.26 3.68 0.15 -1.26 -1.89 113.70 111.51 1zfs s SER 29 Ca 0.57 -1.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.00 1zfs s SER 29 Cb -0.11 0.13 0.32 0.00 -1.71 0.00 0.00 66.02 64.65 1zfs s SER 29 CO 0.53 -0.58 1.91 0.50 1.20 0.00 0.00 173.24 176.80 1zfs h LYS 30 N 2.70 1.25 0.00 5.44 3.64 -1.95 -2.34 116.57 125.32 1zfs h LYS 30 Ca -0.37 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 58.79 1zfs h LYS 30 Cb 1.20 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1zfs h LYS 30 CO 0.62 0.83 -0.73 -0.22 -2.27 0.00 0.00 179.45 177.68 1zfs h LYS 31 N 1.29 0.00 0.05 1.90 1.63 -1.97 -3.10 116.57 116.37 1zfs h LYS 31 Ca 0.40 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1zfs h LYS 31 Cb -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1zfs h LYS 31 CO -0.12 0.73 -0.02 0.93 -3.45 0.00 0.00 179.45 177.52 1zfs h GLU 32 N 0.00 -0.06 -0.03 1.90 5.08 -1.80 -2.87 114.58 116.80 1zfs h GLU 32 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1zfs h GLU 32 Cb 1.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1zfs h GLU 32 CO 0.10 0.23 -0.15 1.37 -1.00 0.00 0.00 179.01 179.56 1zfs h LEU 33 N -0.36 0.04 -1.00 1.33 8.10 -1.58 -2.09 115.31 119.75 1zfs h LEU 33 Ca -0.01 -0.01 0.01 0.00 0.11 0.00 0.00 57.88 57.99 1zfs h LEU 33 Cb 0.32 -0.01 -0.05 0.00 -0.44 0.00 0.00 40.66 40.49 1zfs h LEU 33 CO 0.01 0.20 0.66 0.50 -4.11 0.00 0.00 178.44 175.70 1zfs h LYS 34 N 0.04 1.31 -0.31 0.17 1.63 -1.43 -2.56 116.57 115.42 1zfs h LYS 34 Ca 0.01 -0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.55 1zfs h LYS 34 Cb 0.30 -0.30 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1zfs h LYS 34 CO 0.02 0.87 -0.51 -0.44 -3.45 0.00 0.00 179.45 175.94 1zfs h ASP 35 N 1.35 0.99 -0.75 4.20 3.32 -1.17 -2.72 116.42 121.63 1zfs h ASP 35 Ca 0.37 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1zfs h ASP 35 Cb -0.16 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.08 1zfs h ASP 35 CO -0.08 1.32 0.38 -0.07 -1.72 0.00 0.00 179.24 179.06 1zfs h LEU 36 N 0.69 0.97 0.20 1.55 3.38 -1.20 -0.77 115.31 120.13 1zfs h LEU 36 Ca 0.02 -0.12 -0.28 0.00 0.09 0.00 0.00 57.88 57.59 1zfs h LEU 36 Cb 1.12 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 41.65 1zfs h LEU 36 CO 0.12 0.82 -1.21 -0.07 0.09 0.00 0.00 178.44 178.19 1zfs h LEU 37 N 1.06 0.72 -0.01 1.67 3.38 -1.52 -3.18 115.31 117.42 1zfs h LEU 37 Ca 0.26 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1zfs h LEU 37 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1zfs h LEU 37 CO -0.04 1.59 0.00 0.00 0.09 0.00 0.00 178.44 180.08 1zfs n GLN 38 N -3.88 0.00 -0.05 1.13 -0.00 -1.03 0.14 117.38 113.70 1zfs n GLN 38 Ca -0.15 0.18 -0.01 0.00 -0.00 0.00 0.00 57.00 57.02 1zfs n GLN 38 Cb 0.99 -1.50 -0.00 0.00 -0.00 0.00 0.00 30.24 29.72 1zfs n GLN 38 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 1zfs h THR 39 N 0.00 0.00 0.00 -0.39 1.35 -1.12 -3.39 112.91 109.36 1zfs h THR 39 Ca 0.00 -0.93 -0.16 0.00 -0.55 0.00 0.00 66.41 64.77 1zfs h THR 39 Cb 0.32 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.71 1zfs h THR 39 CO 0.00 0.00 -1.60 -0.62 -0.25 0.00 0.00 175.52 173.05 1zfs n GLU 40 N -4.56 2.52 -0.87 4.72 1.02 -1.21 -4.65 120.64 117.62 1zfs n GLU 40 Ca -0.01 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.07 1zfs n GLU 40 Cb 0.04 -1.23 0.24 0.00 -0.02 0.00 0.00 31.44 30.48 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 -2.32 5.10 -0.13 -4.62 7.99 -0.27 -4.68 117.00 118.07 1zfs n LEU 41 Ca -0.14 -3.44 -0.08 0.00 -0.01 0.00 0.00 56.01 52.34 1zfs n LEU 41 Cb 0.78 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1zfs n LEU 41 CO 0.19 0.98 1.04 0.77 -1.51 0.00 0.00 177.39 178.86 1zfs h SER 42 N 1.63 0.47 -0.36 -1.43 4.64 0.98 -1.26 113.55 118.22 1zfs h SER 42 Ca 0.26 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.41 1zfs h SER 42 Cb 2.03 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.99 1zfs h SER 42 CO 0.58 0.34 -0.41 -1.28 -0.87 0.00 0.00 176.83 175.19 1zfs h SER 43 N 0.55 0.99 0.05 4.97 0.87 -1.85 -3.36 113.55 115.78 1zfs h SER 43 Ca 0.15 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1zfs h SER 43 Cb -0.06 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.62 1zfs h SER 43 CO -0.03 1.26 -0.03 -0.26 -0.53 0.00 0.00 176.83 177.25 1zfs h PHE 44 N 0.75 -0.07 -2.16 2.24 0.04 -1.87 -3.40 116.94 112.47 1zfs h PHE 44 Ca 0.05 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.26 1zfs h PHE 44 Cb 1.00 0.02 -0.09 0.00 2.20 0.00 0.00 35.95 39.08 1zfs h PHE 44 CO 0.06 -0.04 1.07 -0.51 -0.60 0.00 0.00 178.31 178.29 1zfs s LEU 45 N -5.57 3.44 0.36 1.54 1.02 -0.48 -4.97 118.68 114.01 1zfs s LEU 45 Ca -0.01 -0.76 -0.28 0.00 0.02 0.00 0.00 54.13 53.10 1zfs s LEU 45 Cb 0.00 -2.54 -0.12 0.00 0.02 0.00 0.00 46.19 43.55 1zfs s LEU 45 CO 0.03 -1.70 1.33 0.47 0.02 0.00 0.00 176.35 176.50 1zfs n ASP 46 N 8.99 2.95 0.06 2.29 8.00 -1.26 -4.52 116.55 133.08 1zfs n ASP 46 Ca 0.09 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.79 1zfs n ASP 46 Cb 0.49 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1zfs n ASP 46 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1zfs n VAL 47 N 0.31 0.00 -0.12 2.53 3.14 -1.26 -4.90 118.33 118.03 1zfs n VAL 47 Ca 0.04 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.34 1zfs n VAL 47 Cb 0.37 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.14 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 0.51 -0.37 1.45 3.07 -1.88 -2.82 115.11 115.07 1zfs h GLN 48 Ca 0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 58.65 58.53 1zfs h GLN 48 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.44 1zfs h GLN 48 CO 0.00 0.37 -0.41 1.57 0.09 0.00 0.00 178.83 180.44 1zfs h LYS 49 N 0.50 0.93 -3.52 0.06 2.10 -1.94 -3.34 116.57 111.36 1zfs h LYS 49 Ca 0.14 -0.51 -0.76 0.00 -2.00 0.00 0.00 60.65 57.52 1zfs h LYS 49 Cb -0.02 0.03 -0.30 0.00 -0.90 0.00 0.00 32.23 31.03 1zfs h LYS 49 CO -0.03 1.16 0.18 -0.51 -2.00 0.00 0.00 179.45 178.25 1zfs s ASP 50 N -6.86 6.70 0.54 7.07 1.01 -1.07 -4.85 116.67 119.21 1zfs s ASP 50 Ca -0.11 -3.47 0.21 0.00 0.71 0.00 0.00 52.55 49.89 1zfs s ASP 50 Cb 0.11 -2.09 1.45 0.00 1.01 0.00 0.00 42.92 43.40 1zfs s ASP 50 CO 0.88 -0.30 2.18 0.00 0.21 0.00 0.00 175.17 178.15 1zfs h ALA 51 N 6.64 1.84 -0.58 5.23 0.00 -1.67 0.35 119.26 131.06 1zfs h ALA 51 Ca 0.15 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zfs h ALA 51 Cb 0.88 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1zfs h ALA 51 CO 0.91 0.00 0.38 -0.44 0.00 0.00 0.00 179.25 180.10 1zfs h ASP 52 N 0.00 0.66 -0.11 0.00 3.32 -1.88 0.97 116.42 119.37 1zfs h ASP 52 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1zfs h ASP 52 Cb 0.01 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1zfs h ASP 52 CO 0.00 0.48 0.07 0.00 -1.72 0.00 0.00 179.24 178.07 1zfs h ALA 53 N 1.64 1.93 0.00 3.45 0.00 -0.61 -1.01 119.26 124.66 1zfs h ALA 53 Ca 0.21 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1zfs h ALA 53 Cb -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1zfs h ALA 53 CO -0.05 0.07 -0.77 -0.24 0.00 0.00 0.00 179.25 178.26 1zfs h VAL 54 N 0.14 1.43 -0.46 0.00 3.04 -0.78 -2.44 116.25 117.18 1zfs h VAL 54 Ca 0.04 -2.76 -0.14 0.00 -1.01 0.00 0.00 66.70 62.83 1zfs h VAL 54 Cb -0.01 2.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 1zfs h VAL 54 CO -0.01 0.76 -0.27 -0.78 -1.01 0.00 0.00 177.57 176.26 1zfs h ASP 55 N 0.00 1.03 -0.36 3.17 1.82 -0.80 -2.12 116.42 119.15 1zfs h ASP 55 Ca -0.01 -0.42 -0.17 0.00 -0.39 0.00 0.00 57.03 56.05 1zfs h ASP 55 Cb 1.48 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 1zfs h ASP 55 CO 0.10 1.22 -0.42 0.50 -1.61 0.00 0.00 179.24 179.03 1zfs h LYS 56 N 0.84 0.93 -0.58 0.28 3.64 -1.46 -1.81 116.57 118.41 1zfs h LYS 56 Ca 0.10 -0.51 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1zfs h LYS 56 Cb 0.85 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1zfs h LYS 56 CO 0.08 1.17 0.16 0.97 -2.27 0.00 0.00 179.45 179.55 1zfs h ILE 57 N 0.75 1.23 -0.02 2.00 6.09 -1.34 -2.05 117.51 124.16 1zfs h ILE 57 Ca 0.05 -0.80 -0.16 0.00 -1.37 0.00 0.00 64.86 62.58 1zfs h ILE 57 Cb 1.03 0.61 -0.02 0.00 0.47 0.00 0.00 36.82 38.91 1zfs h ILE 57 CO 0.10 0.30 -0.71 0.24 -3.07 0.00 0.00 178.15 175.02 1zfs h MET 58 N 0.85 0.12 -1.00 2.19 2.86 -1.29 -3.21 114.93 115.44 1zfs h MET 58 Ca 0.19 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1zfs h MET 58 Cb 0.27 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 1zfs h MET 58 CO -0.01 0.77 0.66 -0.22 1.06 0.00 0.00 176.91 179.17 1zfs h LYS 59 N 0.08 1.22 0.00 1.72 3.64 -0.59 0.49 116.57 123.13 1zfs h LYS 59 Ca -0.02 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1zfs h LYS 59 Cb 1.25 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1zfs h LYS 59 CO 0.10 0.81 -0.26 0.93 -2.27 0.00 0.00 179.45 178.76 1zfs h GLU 60 N 1.26 0.00 0.00 1.90 5.08 -1.53 -3.01 114.58 118.28 1zfs h GLU 60 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1zfs h GLU 60 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1zfs h GLU 60 CO -0.13 0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.42 1zfs n LEU 61 N -3.53 1.14 -1.57 1.33 4.32 0.18 -4.40 117.00 114.46 1zfs n LEU 61 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1zfs n LEU 61 Cb 0.41 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1zfs n LEU 61 CO 0.34 -0.12 0.60 0.47 -1.22 0.00 0.00 177.39 177.46 1zfs n ASP 62 N -1.30 3.24 0.13 -1.43 8.00 0.15 -4.13 116.55 121.21 1zfs n ASP 62 Ca 0.00 -1.82 0.10 0.00 0.71 0.00 0.00 54.79 53.77 1zfs n ASP 62 Cb 0.00 -0.67 0.48 0.00 -0.02 0.00 0.00 41.12 40.91 1zfs n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1zfs n GLU 63 N 1.52 0.13 -0.01 -1.24 0.28 -1.14 -1.15 120.64 119.04 1zfs n GLU 63 Ca 0.00 0.56 0.12 0.00 -0.16 0.00 0.00 57.16 57.69 1zfs n GLU 63 Cb 0.33 -1.86 0.70 0.00 1.43 0.00 0.00 31.44 32.03 1zfs n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1zfs n ASN 64 N -2.12 0.21 -0.90 -1.84 5.15 -1.26 -4.88 115.26 109.62 1zfs n ASN 64 Ca -0.00 -1.27 -0.02 0.00 -0.60 0.00 0.00 54.58 52.69 1zfs n ASN 64 Cb 0.07 -0.01 0.01 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.92 0.69 2.54 8.20 0.00 -0.30 -5.03 105.19 112.22 1zfs n GLY 65 Ca 0.19 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1zfs n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zfs s ASP 66 N -3.05 3.11 0.00 1.61 -4.77 -1.24 -4.99 116.67 107.33 1zfs s ASP 66 Ca 0.03 -1.56 0.00 0.00 -3.30 0.00 0.00 52.55 47.72 1zfs s ASP 66 Cb -0.02 -0.26 0.00 0.00 -1.09 0.00 0.00 42.92 41.55 1zfs s ASP 66 CO 0.06 -0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.16 1zfs n GLY 67 N 4.81 0.00 3.04 2.12 0.00 -1.26 -4.48 105.19 109.42 1zfs n GLY 67 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 0.02 1.37 -0.04 1.61 8.01 -1.26 -3.26 118.70 125.15 1zfs s GLU 68 Ca 0.00 -0.40 -0.03 0.00 0.01 0.00 0.00 54.97 54.54 1zfs s GLU 68 Cb 0.00 -1.20 -0.04 0.00 -4.31 0.00 0.00 34.13 28.58 1zfs s GLU 68 CO 0.00 0.11 0.15 0.08 0.01 0.00 0.00 175.26 175.61 1zfs s VAL 69 N 0.32 5.30 -0.86 2.63 1.01 -0.79 -4.79 120.40 123.20 1zfs s VAL 69 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1zfs s VAL 69 Cb -0.12 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1zfs s VAL 69 CO 0.02 0.41 0.42 0.47 0.00 0.00 0.00 175.10 176.41 1zfs n ASP 70 N 1.27 0.93 0.00 3.32 8.00 -1.26 -2.20 116.55 126.61 1zfs n ASP 70 Ca -0.14 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1zfs n ASP 70 Cb 0.53 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1zfs n ASP 70 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1zfs n PHE 71 N 0.20 0.00 0.04 1.24 1.16 -1.26 -4.20 117.46 114.64 1zfs n PHE 71 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.53 1zfs n PHE 71 Cb 0.21 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.22 1zfs n PHE 71 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 1zfs h GLN 72 N 0.00 0.40 -0.95 3.97 3.07 -2.01 -2.56 115.11 117.03 1zfs h GLN 72 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 58.65 58.52 1zfs h GLN 72 Cb 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.52 1zfs h GLN 72 CO 0.00 0.78 0.57 0.93 0.09 0.00 0.00 178.83 181.19 1zfs h GLU 73 N 0.32 1.29 -0.41 0.06 5.08 -1.94 -2.95 114.58 116.02 1zfs h GLU 73 Ca 0.02 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1zfs h GLU 73 Cb 0.93 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1zfs h GLU 73 CO 0.08 0.90 -0.31 0.35 -1.00 0.00 0.00 179.01 179.03 1zfs h PHE 74 N 1.31 1.11 -0.96 4.33 3.04 -1.82 -2.82 116.94 121.13 1zfs h PHE 74 Ca 0.34 -0.31 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1zfs h PHE 74 Cb -0.05 -0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.17 1zfs h PHE 74 CO 0.01 1.13 0.63 -0.24 -2.02 0.00 0.00 178.31 177.82 1zfs h VAL 75 N 0.77 1.25 -0.39 1.41 3.04 -1.29 -2.15 116.25 118.89 1zfs h VAL 75 Ca 0.08 -0.46 -0.14 0.00 -1.01 0.00 0.00 66.70 65.17 1zfs h VAL 75 Cb 0.90 -0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.00 1zfs h VAL 75 CO 0.08 0.24 -0.31 0.58 -1.01 0.00 0.00 177.57 177.16 1zfs h VAL 76 N 1.31 1.28 0.70 1.51 2.07 -1.52 -1.64 116.25 119.95 1zfs h VAL 76 Ca 0.35 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1zfs h VAL 76 Cb -0.14 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1zfs h VAL 76 CO -0.08 0.49 -0.34 0.25 0.02 0.00 0.00 177.57 177.92 1zfs h LEU 77 N 0.72 -0.81 0.00 2.57 5.85 -1.13 -2.63 115.31 119.89 1zfs h LEU 77 Ca 0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1zfs h LEU 77 Cb 0.87 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1zfs h LEU 77 CO 0.08 -0.57 -0.16 -0.37 -0.34 0.00 0.00 178.44 177.07 1zfs h VAL 78 N -0.94 0.27 -0.19 1.05 -1.51 -1.57 -3.06 116.25 110.30 1zfs h VAL 78 Ca -0.10 -1.38 -0.09 0.00 -1.23 0.00 0.00 66.70 63.90 1zfs h VAL 78 Cb 0.72 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1zfs h VAL 78 CO 0.15 0.15 -0.24 0.00 -1.23 0.00 0.00 177.57 176.40 1zfs h ALA 79 N 1.84 0.28 -0.07 5.19 0.00 -1.27 -2.35 119.26 122.89 1zfs h ALA 79 Ca -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1zfs h ALA 79 Cb 1.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1zfs h ALA 79 CO 0.02 0.26 -0.39 0.00 0.00 0.00 0.00 179.25 179.13 1zfs h ALA 80 N 0.62 0.14 -0.63 0.00 0.00 -1.55 -2.85 119.26 114.99 1zfs h ALA 80 Ca 0.02 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1zfs h ALA 80 Cb 0.81 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zfs h ALA 80 CO 0.06 0.25 0.02 -0.07 0.00 0.00 0.00 179.25 179.51 1zfs h LEU 81 N -0.10 1.07 -0.55 0.00 3.38 -1.63 -2.42 115.31 115.06 1zfs h LEU 81 Ca -0.03 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1zfs h LEU 81 Cb 1.05 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1zfs h LEU 81 CO 0.08 1.10 0.21 0.74 0.09 0.00 0.00 178.44 180.66 1zfs h THR 82 N 1.00 1.23 -0.91 0.22 2.02 -1.50 -2.72 112.91 112.25 1zfs h THR 82 Ca 0.18 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1zfs h THR 82 Cb 0.54 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1zfs h THR 82 CO 0.03 0.27 0.50 0.58 0.37 0.00 0.00 175.52 177.27 1zfs h VAL 83 N 0.76 1.26 -0.83 3.16 2.07 -1.35 -2.77 116.25 118.56 1zfs h VAL 83 Ca 0.18 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1zfs h VAL 83 Cb 0.22 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1zfs h VAL 83 CO -0.01 0.29 0.45 0.00 0.02 0.00 0.00 177.57 178.32 1zfs h ALA 84 N 1.27 1.06 -0.87 1.67 0.00 -1.13 -2.85 119.26 118.41 1zfs h ALA 84 Ca 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1zfs h ALA 84 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1zfs h ALA 84 CO -0.05 0.57 0.43 0.00 0.00 0.00 0.00 179.25 180.20 1zfs h ASN 86 N 1.23 1.10 0.59 0.00 -1.24 -1.45 -1.81 115.58 114.00 1zfs h ASN 86 Ca 0.30 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.18 1zfs h ASN 86 Cb 0.09 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 1zfs h ASN 86 CO -0.04 0.81 -0.45 -1.13 -1.29 0.00 0.00 177.43 175.33 1zfs h ASN 87 N 1.29 0.00 -0.56 1.15 -1.24 -1.40 -2.61 115.58 112.21 1zfs h ASN 87 Ca 0.35 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.36 1zfs h ASN 87 Cb -0.12 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 1zfs h ASN 87 CO -0.07 0.45 0.37 0.15 -1.29 0.00 0.00 177.43 177.04 1zfs h PHE 88 N 0.00 0.70 0.00 0.67 3.04 -0.76 -1.59 116.94 119.00 1zfs h PHE 88 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1zfs h PHE 88 Cb 0.87 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.14 1zfs h PHE 88 CO 0.00 0.44 -0.02 0.74 -2.02 0.00 0.00 178.31 177.45 1zfs h PHE 89 N 0.76 0.00 -0.19 0.41 0.04 -1.45 -3.20 116.94 113.31 1zfs h PHE 89 Ca 0.21 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 1zfs h PHE 89 Cb -0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1zfs h PHE 89 CO -0.04 0.00 -0.21 2.35 -0.60 0.00 0.00 178.31 179.81 1zfs h TRP 90 N 0.00 0.35 -0.99 -0.55 2.91 -0.90 -2.60 115.95 114.17 1zfs h TRP 90 Ca 0.00 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 59.97 1zfs h TRP 90 Cb 0.78 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.29 1zfs h TRP 90 CO 0.00 0.52 0.66 0.93 -1.03 0.00 0.00 178.44 179.52 1zfs h GLU 91 N 0.30 1.30 0.00 2.65 5.08 -1.51 -0.79 114.58 121.60 1zfs h GLU 91 Ca 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1zfs h GLU 91 Cb 0.54 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1zfs h GLU 91 CO 0.04 0.86 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.85 1zfs h ASN 92 N 1.34 0.00 0.00 1.42 2.35 -1.65 -3.53 115.58 115.51 1zfs h ASN 92 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1zfs h ASN 92 Cb -0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1zfs h ASN 92 CO -0.08 0.15 0.00 -0.24 -1.65 0.00 0.00 177.43 175.61