#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 5.16 0.03 1.61 7.64 -1.26 -4.56 113.62 122.24 1zfs n SER 2 Ca 0.00 -3.07 -0.12 0.00 1.01 0.00 0.00 58.87 56.69 1zfs n SER 2 Cb 0.00 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 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 3.22 0.03 -0.14 1.43 4.39 -2.05 2.38 114.58 123.84 1zfs h GLU 3 Ca 0.10 -0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.57 1zfs h GLU 3 Cb 2.05 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.71 1zfs h GLU 3 CO 0.55 0.03 -0.81 1.25 -1.16 0.00 0.00 179.01 178.87 1zfs h LEU 4 N 0.03 0.95 -0.84 1.33 6.46 -2.01 -2.66 115.31 118.57 1zfs h LEU 4 Ca 0.01 -0.64 -0.04 0.00 -0.12 0.00 0.00 57.88 57.09 1zfs h LEU 4 Cb 0.00 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 1zfs h LEU 4 CO -0.00 1.44 0.36 -0.08 -0.62 0.00 0.00 178.44 179.54 1zfs h GLU 5 N 0.53 1.21 0.00 1.25 4.81 -1.75 0.03 114.58 120.66 1zfs h GLU 5 Ca -0.06 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1zfs h GLU 5 Cb 1.44 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1zfs h GLU 5 CO 0.17 0.96 -0.02 1.15 -0.73 0.00 0.00 179.01 180.53 1zfs h THR 6 N 1.19 0.14 -0.39 0.32 2.02 0.41 -1.88 112.91 114.72 1zfs h THR 6 Ca 0.28 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 67.06 1zfs h THR 6 Cb 0.17 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1zfs h THR 6 CO -0.03 0.02 -0.33 0.00 0.37 0.00 0.00 175.52 175.55 1zfs h ALA 7 N 1.98 0.67 -0.03 6.16 0.00 -0.62 -1.92 119.26 125.49 1zfs h ALA 7 Ca -0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1zfs h ALA 7 Cb 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1zfs h ALA 7 CO 0.00 0.67 -1.00 1.98 0.00 0.00 0.00 179.25 180.90 1zfs h MET 8 N 0.74 0.73 -0.00 0.00 -1.53 -1.30 -3.14 114.93 110.42 1zfs h MET 8 Ca 0.07 -0.74 -0.12 0.00 -3.44 0.00 0.00 59.70 55.47 1zfs h MET 8 Cb 0.90 0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 32.14 1zfs h MET 8 CO 0.08 1.32 -0.55 1.05 0.14 0.00 0.00 176.91 178.95 1zfs h GLU 9 N 0.43 0.00 0.06 0.39 -0.00 -1.47 -2.88 114.58 111.12 1zfs h GLU 9 Ca -0.12 -0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.12 1zfs h GLU 9 Cb 1.65 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.41 1zfs h GLU 9 CO 0.20 0.55 -0.51 0.00 -0.00 0.00 0.00 179.01 179.25 1zfs h THR 10 N 0.00 1.56 0.00 -1.06 1.03 -1.41 -2.51 112.91 110.52 1zfs h THR 10 Ca -0.01 -2.32 -0.07 0.00 -0.01 0.00 0.00 66.41 64.01 1zfs h THR 10 Cb 0.98 3.06 -0.01 0.00 -1.07 0.00 0.00 68.15 71.11 1zfs h THR 10 CO 0.07 0.64 -0.34 0.17 -0.01 0.00 0.00 175.52 176.06 1zfs h LEU 11 N -0.48 0.00 -0.45 0.00 8.10 -1.63 -2.35 115.31 118.50 1zfs h LEU 11 Ca -0.08 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.74 1zfs h LEU 11 Cb 1.34 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.56 1zfs h LEU 11 CO 0.10 0.34 -0.60 0.40 -4.11 0.00 0.00 178.44 174.56 1zfs h ILE 12 N 0.00 1.33 -0.26 0.15 2.04 -1.56 -1.62 117.51 117.59 1zfs h ILE 12 Ca -0.00 -1.88 -0.16 0.00 1.00 0.00 0.00 64.86 63.82 1zfs h ILE 12 Cb 0.74 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1zfs h ILE 12 CO 0.04 0.58 -0.45 -1.13 0.00 0.00 0.00 178.15 177.19 1zfs h ASN 13 N 0.42 0.84 0.14 1.72 -0.73 -1.14 -2.18 115.58 114.66 1zfs h ASN 13 Ca -0.00 -0.53 -0.10 0.00 1.87 0.00 0.00 56.30 57.53 1zfs h ASN 13 Cb 1.16 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 1zfs h ASN 13 CO 0.11 1.22 -0.36 0.58 -0.37 0.00 0.00 177.43 178.60 1zfs h VAL 14 N 0.50 1.29 -0.95 2.57 2.07 -1.46 0.17 116.25 120.45 1zfs h VAL 14 Ca 0.02 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1zfs h VAL 14 Cb 1.06 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1zfs h VAL 14 CO 0.10 0.43 0.57 0.15 0.02 0.00 0.00 177.57 178.85 1zfs h PHE 15 N 0.26 1.25 -0.00 1.57 3.57 -1.10 0.11 116.94 122.61 1zfs h PHE 15 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1zfs h PHE 15 Cb 0.77 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1zfs h PHE 15 CO 0.02 0.83 -0.25 1.58 -2.23 0.00 0.00 178.31 178.25 1zfs n HIS 16 N -4.36 0.00 0.02 0.41 -0.00 -0.78 -2.29 115.22 108.22 1zfs n HIS 16 Ca 0.11 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.20 1zfs n HIS 16 Cb 0.06 -0.24 -0.13 0.00 -0.12 0.00 0.00 29.99 29.55 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 3.32 0.53 0.00 1.57 0.00 0.13 -3.35 119.26 121.46 1zfs h ALA 17 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 54.91 53.55 1zfs h ALA 17 Cb 0.46 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1zfs h ALA 17 CO 0.00 1.39 -1.63 0.72 0.00 0.00 0.00 179.25 179.73 1zfs n HIS 18 N -3.23 0.00 -0.29 0.00 8.25 -0.88 -4.44 115.22 114.62 1zfs n HIS 18 Ca -0.10 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.30 1zfs n HIS 18 Cb 1.00 -0.45 0.07 0.00 1.12 0.00 0.00 29.99 31.74 1zfs n HIS 18 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1zfs h SER 19 N 0.00 1.11 0.49 0.41 4.64 -1.67 -2.34 113.55 116.18 1zfs h SER 19 Ca -0.25 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1zfs h SER 19 Cb 1.52 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1zfs h SER 19 CO 0.00 0.97 -0.03 0.61 -0.87 0.00 0.00 176.83 177.51 1zfs n GLY 20 N -0.89 -1.19 0.13 -0.77 0.00 -1.26 -3.22 105.19 97.99 1zfs n GLY 20 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1zfs n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1zfs h LYS 21 N 0.14 0.00 -0.01 1.61 1.79 -1.63 -3.09 116.57 115.38 1zfs h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1zfs h LYS 21 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1zfs h LYS 21 CO 0.00 0.60 -0.13 0.39 -1.08 0.00 0.00 179.45 179.23 1zfs n GLU 22 N -3.31 1.16 0.00 3.15 -0.58 -1.20 -4.92 120.64 114.95 1zfs n GLU 22 Ca 0.01 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 1zfs n GLU 22 Cb 0.75 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 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 1.26 2.57 2.60 0.62 0.00 -1.17 -4.86 105.19 106.21 1zfs n GLY 23 Ca 0.15 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 0.77 4.78 0.16 1.61 8.00 -1.26 -4.38 116.55 126.23 1zfs n ASP 24 Ca 0.00 -2.30 0.13 0.00 0.71 0.00 0.00 54.79 53.33 1zfs n ASP 24 Cb 0.00 -1.07 0.36 0.00 -0.02 0.00 0.00 41.12 40.39 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 6.25 0.00 0.00 -1.24 3.64 -1.88 -3.10 116.57 120.24 1zfs h LYS 25 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1zfs h LYS 25 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1zfs h LYS 25 CO 1.39 0.00 -0.53 0.66 -2.27 0.00 0.00 179.45 178.70 1zfs n TYR 26 N -2.60 0.52 -3.64 1.91 4.02 -1.26 -4.90 117.16 111.20 1zfs n TYR 26 Ca 0.04 0.15 -0.13 0.00 -0.01 0.00 0.00 57.90 57.95 1zfs n TYR 26 Cb 0.43 -0.64 -0.06 0.00 -0.02 0.00 0.00 39.34 39.05 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1zfs s LYS 27 N -3.14 0.96 0.71 -0.72 2.20 -1.17 -5.09 119.74 113.49 1zfs s LYS 27 Ca 0.07 -0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 55.25 1zfs s LYS 27 Cb 0.14 0.43 0.06 0.00 -1.51 0.00 0.00 37.83 36.95 1zfs s LYS 27 CO 0.70 -0.34 1.03 -1.17 -0.36 0.00 0.00 175.35 175.22 1zfs s LEU 28 N -2.05 2.79 0.17 5.43 2.96 -0.90 -4.71 118.68 122.36 1zfs s LEU 28 Ca -0.05 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1zfs s LEU 28 Cb -0.01 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1zfs s LEU 28 CO -0.03 -1.63 0.06 -0.55 -1.32 0.00 0.00 176.35 172.88 1zfs s SER 29 N -4.52 0.65 0.25 3.68 0.15 -1.26 -2.60 113.70 110.05 1zfs s SER 29 Ca 0.60 -1.25 -0.06 0.00 0.70 0.00 0.00 55.95 55.94 1zfs s SER 29 Cb -0.11 0.24 0.28 0.00 -1.71 0.00 0.00 66.02 64.72 1zfs s SER 29 CO 0.45 -0.70 1.93 0.50 1.20 0.00 0.00 173.24 176.62 1zfs h LYS 30 N 2.71 1.31 0.00 5.44 3.64 -1.94 -2.65 116.57 125.08 1zfs h LYS 30 Ca -0.36 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 58.73 1zfs h LYS 30 Cb 1.22 -0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1zfs h LYS 30 CO 0.59 0.87 -0.92 -0.22 -2.27 0.00 0.00 179.45 177.50 1zfs h LYS 31 N 1.35 0.32 -0.00 1.90 3.11 -1.97 -2.89 116.57 118.39 1zfs h LYS 31 Ca 0.37 -0.35 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1zfs h LYS 31 Cb -0.14 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.19 1zfs h LYS 31 CO -0.08 1.04 0.00 0.93 -2.81 0.00 0.00 179.45 178.53 1zfs h GLU 32 N 0.18 0.01 -0.11 1.90 5.08 -1.87 -2.41 114.58 117.36 1zfs h GLU 32 Ca -0.06 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1zfs h GLU 32 Cb 1.55 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1zfs h GLU 32 CO 0.15 0.10 -0.37 1.37 -1.00 0.00 0.00 179.01 179.25 1zfs h LEU 33 N -0.08 0.23 -0.88 1.33 8.10 -1.57 -2.84 115.31 119.60 1zfs h LEU 33 Ca 0.00 -0.09 -0.03 0.00 0.11 0.00 0.00 57.88 57.87 1zfs h LEU 33 Cb 0.09 -0.06 -0.04 0.00 -0.44 0.00 0.00 40.66 40.21 1zfs h LEU 33 CO -0.00 0.59 0.43 0.50 -4.11 0.00 0.00 178.44 175.85 1zfs h LYS 34 N 0.19 1.23 -0.73 0.17 3.64 -1.28 -2.59 116.57 117.20 1zfs h LYS 34 Ca 0.02 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1zfs h LYS 34 Cb 0.75 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1zfs h LYS 34 CO 0.06 0.94 0.24 0.22 -2.27 0.00 0.00 179.45 178.64 1zfs h ASP 35 N 1.23 1.06 -0.88 4.20 3.58 -1.19 -2.15 116.42 122.26 1zfs h ASP 35 Ca 0.30 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1zfs h ASP 35 Cb 0.10 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.83 1zfs h ASP 35 CO -0.04 0.98 0.46 -0.07 -2.88 0.00 0.00 179.24 177.69 1zfs h LEU 36 N 1.08 1.12 -0.12 2.28 3.38 -1.41 0.10 115.31 121.74 1zfs h LEU 36 Ca 0.24 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 1zfs h LEU 36 Cb 0.29 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1zfs h LEU 36 CO -0.01 0.92 -0.73 -0.07 0.09 0.00 0.00 178.44 178.64 1zfs h LEU 37 N 1.24 0.84 -1.24 1.67 3.38 -1.29 -2.48 115.31 117.43 1zfs h LEU 37 Ca 0.31 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1zfs h LEU 37 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1zfs h LEU 37 CO -0.05 1.36 -0.26 1.56 0.09 0.00 0.00 178.44 181.15 1zfs h GLN 38 N 0.39 0.00 0.00 1.13 4.20 -1.24 2.13 115.11 121.71 1zfs h GLN 38 Ca -0.06 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1zfs h GLN 38 Cb 1.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 1zfs h GLN 38 CO 0.15 0.26 -0.22 1.79 -0.67 0.00 0.00 178.83 180.14 1zfs h THR 39 N 0.00 0.74 0.00 -0.54 1.35 -0.72 -3.39 112.91 110.35 1zfs h THR 39 Ca -0.00 -1.61 -0.16 0.00 -0.55 0.00 0.00 66.41 64.09 1zfs h THR 39 Cb 0.70 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 1zfs h THR 39 CO 0.03 0.25 -1.60 -0.62 -0.25 0.00 0.00 175.52 173.33 1zfs n GLU 40 N -4.66 2.52 -0.63 4.72 1.02 -0.94 -4.68 120.64 118.00 1zfs n GLU 40 Ca -0.08 -0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.08 1zfs n GLU 40 Cb 0.28 -1.23 0.25 0.00 -0.02 0.00 0.00 31.44 30.73 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 4.28 -0.37 -4.62 4.32 -0.62 -4.66 117.00 113.02 1zfs n LEU 41 Ca -0.14 -3.26 -0.02 0.00 -0.02 0.00 0.00 56.01 52.57 1zfs n LEU 41 Cb 0.78 -0.60 0.10 0.00 -1.62 0.00 0.00 43.42 42.08 1zfs n LEU 41 CO 0.19 0.85 1.28 0.77 -1.22 0.00 0.00 177.39 179.26 1zfs h SER 42 N 1.68 1.13 -0.36 -1.43 4.64 0.32 -1.63 113.55 117.91 1zfs h SER 42 Ca 0.10 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1zfs h SER 42 Cb 1.64 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 1zfs h SER 42 CO 0.35 0.83 0.18 0.28 -0.87 0.00 0.00 176.83 177.59 1zfs h SER 43 N 1.33 0.46 0.02 4.97 0.02 -1.83 -3.30 113.55 115.22 1zfs h SER 43 Ca 0.36 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1zfs h SER 43 Cb -0.14 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1zfs h SER 43 CO -0.08 0.45 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.79 1zfs h PHE 44 N 0.44 -0.03 -1.78 3.45 0.04 -1.86 -3.39 116.94 113.81 1zfs h PHE 44 Ca 0.12 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.30 1zfs h PHE 44 Cb 0.11 0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.16 1zfs h PHE 44 CO -0.02 -0.02 1.20 -0.51 -0.60 0.00 0.00 178.31 178.37 1zfs s LEU 45 N -4.58 3.64 -0.99 1.54 1.02 -0.63 -4.89 118.68 113.78 1zfs s LEU 45 Ca -0.00 -1.16 -0.26 0.00 0.02 0.00 0.00 54.13 52.73 1zfs s LEU 45 Cb 0.00 -2.53 -0.21 0.00 0.02 0.00 0.00 46.19 43.47 1zfs s LEU 45 CO 0.01 -1.56 2.20 -0.90 0.02 0.00 0.00 176.35 176.12 1zfs n ASP 46 N 8.69 1.41 0.02 2.29 5.75 -1.24 -4.48 116.55 128.99 1zfs n ASP 46 Ca 0.19 -2.17 0.11 0.00 -0.01 0.00 0.00 54.79 52.92 1zfs n ASP 46 Cb 0.50 -1.70 -0.02 0.00 -1.03 0.00 0.00 41.12 38.87 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 8.97 0.14 -0.01 2.12 3.14 -1.26 -4.21 118.33 127.21 1zfs n VAL 47 Ca 0.42 -0.25 -0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1zfs n VAL 47 Cb 0.46 0.27 -0.00 0.00 -1.06 0.00 0.00 33.84 33.50 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 -0.23 1.45 4.20 -1.87 -3.37 115.11 115.29 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 0.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1zfs h GLN 48 CO 0.00 0.00 0.14 1.57 -0.67 0.00 0.00 178.83 179.87 1zfs h LYS 49 N -0.25 0.28 -4.08 1.46 -0.00 -1.97 -3.24 116.57 108.77 1zfs h LYS 49 Ca 0.00 -0.02 -0.77 0.00 -0.00 0.00 0.00 60.65 59.86 1zfs h LYS 49 Cb 0.00 -0.06 -0.22 0.00 -0.00 0.00 0.00 32.23 31.94 1zfs h LYS 49 CO 0.00 0.19 1.02 -0.25 -0.00 0.00 0.00 179.45 180.41 1zfs n ASP 50 N -4.94 5.41 0.22 7.07 8.00 -1.26 -4.77 116.55 126.28 1zfs n ASP 50 Ca -0.03 -3.04 0.18 0.00 0.71 0.00 0.00 54.79 52.61 1zfs n ASP 50 Cb 0.03 -1.47 0.85 0.00 -0.02 0.00 0.00 41.12 40.51 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 6.73 1.71 0.00 2.24 0.00 -1.71 1.89 119.26 130.12 1zfs h ALA 51 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1zfs h ALA 51 Cb 0.84 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1zfs h ALA 51 CO 1.19 -0.31 -0.03 -0.44 0.00 0.00 0.00 179.25 179.65 1zfs h ASP 52 N 0.00 0.00 0.16 0.00 3.32 -1.90 -1.84 116.42 116.16 1zfs h ASP 52 Ca 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1zfs h ASP 52 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1zfs h ASP 52 CO -0.00 0.03 -0.25 0.00 -1.72 0.00 0.00 179.24 177.31 1zfs h ALA 53 N 1.97 1.41 0.01 3.45 0.00 0.27 -2.25 119.26 124.10 1zfs h ALA 53 Ca -0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1zfs h ALA 53 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1zfs h ALA 53 CO 0.00 0.42 -0.87 -0.24 0.00 0.00 0.00 179.25 178.56 1zfs h VAL 54 N 0.15 1.56 -0.60 0.00 3.04 -1.35 -2.29 116.25 116.76 1zfs h VAL 54 Ca 0.03 -2.78 -0.10 0.00 -1.01 0.00 0.00 66.70 62.83 1zfs h VAL 54 Cb 0.53 2.53 -0.02 0.00 -2.01 0.00 0.00 31.29 32.32 1zfs h VAL 54 CO 0.04 0.80 -0.02 0.44 -1.01 0.00 0.00 177.57 177.82 1zfs h ASP 55 N 0.05 1.06 -0.37 3.17 3.32 -1.37 -2.62 116.42 119.66 1zfs h ASP 55 Ca -0.03 -0.32 -0.16 0.00 0.02 0.00 0.00 57.03 56.54 1zfs h ASP 55 Cb 1.51 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1zfs h ASP 55 CO 0.12 1.12 -0.41 0.11 -1.72 0.00 0.00 179.24 178.46 1zfs h LYS 56 N 0.98 0.93 -0.82 3.56 1.57 -1.45 -2.10 116.57 119.24 1zfs h LYS 56 Ca 0.17 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1zfs h LYS 56 Cb 0.59 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 1zfs h LYS 56 CO 0.04 1.16 0.45 0.97 -0.57 0.00 0.00 179.45 181.50 1zfs h ILE 57 N 0.75 1.24 0.04 1.86 6.09 -1.25 -2.65 117.51 123.59 1zfs h ILE 57 Ca 0.05 -0.60 -0.25 0.00 -1.37 0.00 0.00 64.86 62.69 1zfs h ILE 57 Cb 1.01 0.15 -0.02 0.00 0.47 0.00 0.00 36.82 38.42 1zfs h ILE 57 CO 0.10 0.27 -1.26 0.00 -3.07 0.00 0.00 178.15 174.19 1zfs h MET 58 N 1.14 0.09 -0.94 2.19 -0.00 -1.48 -3.31 114.93 112.62 1zfs h MET 58 Ca 0.29 -0.16 -0.01 0.00 -0.00 0.00 0.00 59.70 59.82 1zfs h MET 58 Cb 0.03 0.06 -0.05 0.00 -0.00 0.00 0.00 31.60 31.64 1zfs h MET 58 CO -0.05 0.98 0.55 -0.22 -0.00 0.00 0.00 176.91 178.17 1zfs h LYS 59 N 0.03 1.28 -0.89 -0.10 3.64 -1.22 2.15 116.57 121.46 1zfs h LYS 59 Ca -0.12 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1zfs h LYS 59 Cb 1.89 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 33.40 1zfs h LYS 59 CO 0.14 0.90 0.47 1.49 -2.27 0.00 0.00 179.45 180.19 1zfs h GLU 60 N 1.30 1.25 0.00 1.90 4.57 -1.56 -3.30 114.58 118.74 1zfs h GLU 60 Ca 0.34 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1zfs h GLU 60 Cb -0.04 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.29 1zfs h GLU 60 CO -0.06 0.92 -1.80 1.47 -1.18 0.00 0.00 179.01 178.36 1zfs n LEU 61 N -4.33 0.00 -2.19 1.64 -0.00 -0.94 -4.52 117.00 106.65 1zfs n LEU 61 Ca 0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.93 1zfs n LEU 61 Cb 0.11 0.15 -0.13 0.00 -0.00 0.00 0.00 43.42 43.54 1zfs n LEU 61 CO 0.39 0.15 1.69 -0.67 -0.00 0.00 0.00 177.39 178.95 1zfs n ASP 62 N -2.24 5.72 0.02 1.45 2.03 0.72 -4.46 116.55 119.80 1zfs n ASP 62 Ca -0.11 -2.67 0.02 0.00 0.52 0.00 0.00 54.79 52.54 1zfs n ASP 62 Cb 0.64 -1.38 0.08 0.00 -0.72 0.00 0.00 41.12 39.74 1zfs n ASP 62 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1zfs n GLU 63 N 2.13 0.02 0.04 -0.67 0.28 -1.26 -0.31 120.64 120.87 1zfs n GLU 63 Ca 0.46 0.51 0.11 0.00 -0.16 0.00 0.00 57.16 58.08 1zfs n GLU 63 Cb 0.79 -1.56 0.45 0.00 1.43 0.00 0.00 31.44 32.55 1zfs n GLU 63 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1zfs n ASN 64 N -1.59 0.24 -1.86 -1.84 3.02 -1.26 -4.84 115.26 107.13 1zfs n ASN 64 Ca -0.00 0.54 -0.16 0.00 -0.03 0.00 0.00 54.58 54.93 1zfs n ASN 64 Cb 0.01 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.54 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zfs n GLY 65 N 0.63 0.67 0.53 7.41 0.00 0.58 -4.78 105.19 110.23 1zfs n GLY 65 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.24 1.66 0.00 1.61 5.75 -1.26 -4.87 116.55 118.19 1zfs n ASP 66 Ca -0.17 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1zfs n ASP 66 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 1.20 0.00 3.04 6.12 0.00 -1.26 -4.87 105.19 109.42 1zfs n GLY 67 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.75 0.83 -0.09 1.61 2.02 -1.26 -3.21 118.70 116.85 1zfs s GLU 68 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.62 1zfs s GLU 68 Cb 0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 1zfs s GLU 68 CO 0.00 0.22 -0.05 0.08 0.02 0.00 0.00 175.26 175.53 1zfs s VAL 69 N -0.23 3.87 -1.23 2.63 1.01 -1.07 -4.93 120.40 120.45 1zfs s VAL 69 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1zfs s VAL 69 Cb -0.04 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1zfs s VAL 69 CO -0.00 0.57 0.39 -0.67 0.00 0.00 0.00 175.10 175.40 1zfs n ASP 70 N 2.53 0.50 0.00 3.32 -0.08 -1.26 -2.13 116.55 119.43 1zfs n ASP 70 Ca -0.18 -1.28 0.00 0.00 -1.51 0.00 0.00 54.79 51.82 1zfs n ASP 70 Cb 0.53 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.74 1zfs n ASP 70 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1zfs n PHE 71 N 0.02 0.00 -0.37 -0.67 7.35 -1.26 -4.22 117.46 118.31 1zfs n PHE 71 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1zfs n PHE 71 Cb 0.12 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.07 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 1.32 -0.97 -4.13 -0.00 -2.02 -0.77 115.11 108.55 1zfs h GLN 72 Ca 0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1zfs h GLN 72 Cb 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 27.48 27.14 1zfs h GLN 72 CO 0.00 0.88 0.64 0.93 0.00 0.00 0.00 178.83 181.28 1zfs h GLU 73 N 1.36 1.27 -0.52 1.69 5.08 -1.94 -2.76 114.58 118.76 1zfs h GLU 73 Ca 0.37 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1zfs h GLU 73 Cb -0.15 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 28.79 1zfs h GLU 73 CO -0.08 0.84 0.34 0.35 -1.00 0.00 0.00 179.01 179.47 1zfs h PHE 74 N 1.31 0.65 -1.00 4.33 3.57 -1.48 -2.68 116.94 121.64 1zfs h PHE 74 Ca 0.35 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1zfs h PHE 74 Cb -0.15 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.32 1zfs h PHE 74 CO -0.00 0.41 0.66 -0.24 -2.23 0.00 0.00 178.31 176.91 1zfs h VAL 75 N 0.70 1.26 -0.17 1.41 3.04 -1.14 -2.65 116.25 118.69 1zfs h VAL 75 Ca 0.19 -0.47 -0.19 0.00 -1.01 0.00 0.00 66.70 65.22 1zfs h VAL 75 Cb -0.08 -0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 28.99 1zfs h VAL 75 CO -0.04 0.25 -0.65 -0.37 -1.01 0.00 0.00 177.57 175.75 1zfs h VAL 76 N 1.36 1.32 0.54 1.51 -1.51 -1.49 -1.50 116.25 116.47 1zfs h VAL 76 Ca 0.37 -1.91 -0.03 0.00 -1.23 0.00 0.00 66.70 63.90 1zfs h VAL 76 Cb -0.15 1.87 0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1zfs h VAL 76 CO -0.08 0.60 -0.26 0.25 -1.23 0.00 0.00 177.57 176.85 1zfs h LEU 77 N 0.46 -0.61 -0.72 4.19 7.12 -1.22 -2.98 115.31 121.55 1zfs h LEU 77 Ca -0.01 -0.05 -0.03 0.00 0.13 0.00 0.00 57.88 57.92 1zfs h LEU 77 Cb 1.23 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.51 1zfs h LEU 77 CO 0.13 -0.31 -0.14 -0.37 -0.13 0.00 0.00 178.44 177.61 1zfs h VAL 78 N -0.91 0.29 -0.17 1.05 -1.51 -1.60 -3.02 116.25 110.39 1zfs h VAL 78 Ca -0.07 -1.09 -0.05 0.00 -1.23 0.00 0.00 66.70 64.26 1zfs h VAL 78 Cb 0.62 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1zfs h VAL 78 CO 0.12 0.14 -0.08 0.00 -1.23 0.00 0.00 177.57 176.52 1zfs h ALA 79 N 1.86 0.24 -0.29 5.19 0.00 -1.26 -2.63 119.26 122.37 1zfs h ALA 79 Ca -0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1zfs h ALA 79 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1zfs h ALA 79 CO 0.02 0.05 -0.43 0.00 0.00 0.00 0.00 179.25 178.89 1zfs h ALA 80 N 0.68 0.69 -0.15 0.00 0.00 -1.56 -2.56 119.26 116.37 1zfs h ALA 80 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1zfs h ALA 80 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1zfs h ALA 80 CO 0.02 0.67 0.02 1.25 0.00 0.00 0.00 179.25 181.22 1zfs h LEU 81 N 0.59 0.24 -0.09 0.00 5.85 -1.53 -2.36 115.31 118.02 1zfs h LEU 81 Ca 0.04 -0.26 -0.20 0.00 0.84 0.00 0.00 57.88 58.31 1zfs h LEU 81 Cb 0.98 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.96 1zfs h LEU 81 CO 0.09 0.44 -0.70 0.00 -0.34 0.00 0.00 178.44 177.93 1zfs h THR 82 N 0.04 1.33 -0.49 1.05 1.03 -1.54 -2.81 112.91 111.51 1zfs h THR 82 Ca 0.05 -1.98 -0.00 0.00 -0.01 0.00 0.00 66.41 64.47 1zfs h THR 82 Cb 0.30 2.20 -0.02 0.00 -1.07 0.00 0.00 68.15 69.56 1zfs h THR 82 CO 0.00 0.61 0.30 0.58 -0.01 0.00 0.00 175.52 177.01 1zfs h VAL 83 N 0.29 1.15 -1.00 0.00 2.07 -1.52 -2.15 116.25 115.09 1zfs h VAL 83 Ca -0.06 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1zfs h VAL 83 Cb 1.35 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1zfs h VAL 83 CO 0.14 0.15 0.66 0.00 0.02 0.00 0.00 177.57 178.54 1zfs h ALA 84 N 1.15 1.28 -1.00 1.67 0.00 -1.47 -2.14 119.26 118.76 1zfs h ALA 84 Ca 0.18 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1zfs h ALA 84 Cb -0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.31 1zfs h ALA 84 CO -0.03 0.66 0.66 0.00 0.00 0.00 0.00 179.25 180.54 1zfs h ASN 86 N 1.35 1.15 -0.64 0.00 -0.73 -1.00 -2.35 115.58 113.37 1zfs h ASN 86 Ca 0.36 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.42 1zfs h ASN 86 Cb -0.16 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.12 1zfs h ASN 86 CO -0.08 0.83 0.06 -1.13 -0.37 0.00 0.00 177.43 176.74 1zfs h ASN 87 N 1.36 1.07 -0.85 1.15 -1.24 -1.28 0.75 115.58 116.54 1zfs h ASN 87 Ca 0.37 -0.28 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1zfs h ASN 87 Cb -0.15 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.57 1zfs h ASN 87 CO -0.08 1.08 0.40 -0.26 -1.29 0.00 0.00 177.43 177.28 1zfs h PHE 88 N 1.01 1.23 0.00 0.67 0.04 -1.02 0.31 116.94 119.18 1zfs h PHE 88 Ca 0.19 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1zfs h PHE 88 Cb 0.50 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1zfs h PHE 88 CO 0.04 0.90 -1.06 1.19 -0.60 0.00 0.00 178.31 178.77 1zfs n PHE 89 N -4.30 0.78 0.12 -0.55 3.01 -0.95 -4.02 117.46 111.55 1zfs n PHE 89 Ca 0.08 0.23 0.10 0.00 1.01 0.00 0.00 57.45 58.87 1zfs n PHE 89 Cb 0.15 -0.84 0.02 0.00 -0.01 0.00 0.00 39.48 38.80 1zfs n PHE 89 CO 0.00 0.00 0.00 2.35 1.01 0.00 0.00 176.76 180.12 1zfs h TRP 90 N 0.00 0.00 -0.92 1.38 7.01 0.79 -3.34 115.95 120.87 1zfs h TRP 90 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1zfs h TRP 90 Cb 0.95 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.96 1zfs h TRP 90 CO 0.00 0.08 0.58 1.05 -2.79 0.00 0.00 178.44 177.36 1zfs h GLU 91 N 0.00 1.24 -1.00 2.65 4.11 -1.07 -1.54 114.58 118.97 1zfs h GLU 91 Ca -0.02 -0.10 0.01 0.00 0.07 0.00 0.00 59.36 59.33 1zfs h GLU 91 Cb 1.08 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 1zfs h GLU 91 CO 0.01 0.84 0.66 -0.97 0.07 0.00 0.00 179.01 179.62 1zfs h ASN 92 N 1.26 1.14 0.00 3.06 -0.73 -1.78 -3.52 115.58 115.01 1zfs h ASN 92 Ca 0.33 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.48 1zfs h ASN 92 Cb -0.09 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.21 1zfs h ASN 92 CO -0.07 0.83 0.00 -0.24 -0.37 0.00 0.00 177.43 177.58