#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jua n TYR 2 N 0.00 0.00 0.00 3.17 4.01 -1.26 -4.83 117.16 118.25 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jua n TYR 2 Cb 0.00 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jua n GLY 3 N -0.99 0.78 0.20 2.72 0.00 -1.26 -4.99 105.19 101.65 2jua n GLY 3 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2jua n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jua h LYS 4 N 2.79 0.62 -0.97 1.61 1.57 -2.01 -2.93 116.57 117.25 2jua h LYS 4 Ca 0.00 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.81 2jua h LYS 4 Cb 0.00 -0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.06 2jua h LYS 4 CO 0.00 0.49 -0.54 1.28 -0.57 0.00 0.00 179.45 180.10 2jua n LEU 5 N -4.70 -0.97 -0.52 2.94 7.99 -1.26 0.38 117.00 120.86 2jua n LEU 5 Ca 0.01 1.73 0.43 0.00 -0.01 0.00 0.00 56.01 58.17 2jua n LEU 5 Cb 0.07 -0.25 0.71 0.00 -0.11 0.00 0.00 43.42 43.84 2jua n LEU 5 CO 0.36 -1.43 1.28 0.78 -1.51 0.00 0.00 177.39 176.87 2jua h ASN 6 N 0.00 0.16 -0.34 -1.43 2.35 -1.89 5.36 115.58 119.80 2jua h ASN 6 Ca 0.18 0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.93 2jua h ASN 6 Cb 0.43 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2jua h ASN 6 CO -0.92 -0.22 -0.27 -0.78 -1.65 0.00 0.00 177.43 173.59 2jua h ASP 7 N 0.00 0.88 0.01 5.81 3.58 0.69 0.57 116.42 127.96 2jua h ASP 7 Ca 0.90 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 58.00 2jua h ASP 7 Cb 3.03 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 43.83 2jua h ASP 7 CO -0.39 1.10 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.99 2jua h LEU 8 N 0.73 -0.01 0.64 2.28 -0.00 1.07 -2.44 115.31 117.58 2jua h LEU 8 Ca 0.09 -0.73 -0.03 0.00 -0.00 0.00 0.00 57.88 57.21 2jua h LEU 8 Cb 0.82 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.48 2jua h LEU 8 CO 0.07 0.85 -0.37 0.25 -0.00 0.00 0.00 178.44 179.24 2jua h LEU 9 N -0.98 -0.92 0.58 1.67 6.46 0.25 0.26 115.31 122.63 2jua h LEU 9 Ca -0.00 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2jua h LEU 9 Cb 0.74 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.93 2jua h LEU 9 CO 0.00 -0.59 -0.32 -0.08 -0.62 0.00 0.00 178.44 176.84 2jua h GLU 10 N -0.94 -0.80 -0.01 1.25 4.57 0.01 0.13 114.58 118.78 2jua h GLU 10 Ca -0.08 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2jua h GLU 10 Cb 0.75 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2jua h GLU 10 CO 0.10 -0.54 0.15 -0.44 -1.18 0.00 0.00 179.01 177.10 2jua h ASP 11 N -0.83 0.00 0.00 1.04 5.19 -1.42 -1.44 116.42 118.96 2jua h ASP 11 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2jua h ASP 11 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2jua h ASP 11 CO 0.10 0.00 -0.03 0.25 -3.12 0.00 0.00 179.24 176.44 2jua h LEU 12 N 0.00 0.00 -1.82 1.55 5.85 0.10 -3.20 115.31 117.80 2jua h LEU 12 Ca 0.01 0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.04 2jua h LEU 12 Cb 0.30 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2jua h LEU 12 CO -0.00 0.23 0.77 0.06 -0.34 0.00 0.00 178.44 179.17 2jua h GLN 13 N -0.44 0.10 0.80 1.25 3.07 -0.59 -1.11 115.11 118.19 2jua h GLN 13 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 2jua h GLN 13 Cb 0.03 -0.02 0.01 0.00 0.08 0.00 0.00 27.48 27.57 2jua h GLN 13 CO 0.00 0.07 -0.38 0.93 0.09 0.00 0.00 178.83 179.54 2jua h GLU 14 N 0.11 -1.03 -1.33 0.06 5.08 -1.38 -0.99 114.58 115.09 2jua h GLU 14 Ca 0.56 0.07 0.40 0.00 -1.00 0.00 0.00 59.36 59.38 2jua h GLU 14 Cb 1.98 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 31.37 2jua h GLU 14 CO -0.09 -0.69 0.90 -0.39 -1.00 0.00 0.00 179.01 177.74 2jua h VAL 15 N -1.12 0.26 0.00 3.13 -1.51 -1.20 3.29 116.25 119.11 2jua h VAL 15 Ca -0.11 -0.04 -0.09 0.00 -1.23 0.00 0.00 66.70 65.22 2jua h VAL 15 Cb 0.82 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2jua h VAL 15 CO 0.18 0.02 -0.45 0.25 -1.23 0.00 0.00 177.57 176.34 2jua h LEU 16 N 0.12 0.00 0.50 4.19 5.85 -0.94 -2.52 115.31 122.52 2jua h LEU 16 Ca 0.73 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.43 2jua h LEU 16 Cb 2.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.49 2jua h LEU 16 CO -0.23 0.45 -0.24 0.50 -0.34 0.00 0.00 178.44 178.57 2jua h LYS 17 N 0.00 -0.65 0.00 1.25 3.64 0.74 -1.96 116.57 119.58 2jua h LYS 17 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jua h LYS 17 Cb 0.84 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2jua h LYS 17 CO 0.06 -0.42 0.00 0.72 -2.27 0.00 0.00 179.45 177.54 2jua n HIS 18 N -5.23 0.00 -0.12 1.91 8.25 -0.88 -2.29 115.22 116.86 2jua n HIS 18 Ca -0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.12 2jua n HIS 18 Cb 0.27 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.29 2jua n HIS 18 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jua n VAL 19 N -0.97 1.52 0.06 1.59 0.31 -0.95 -3.71 118.33 116.19 2jua n VAL 19 Ca 0.03 -0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.17 2jua n VAL 19 Cb 0.01 -1.98 0.22 0.00 -0.91 0.00 0.00 33.84 31.18 2jua n VAL 19 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2jua n ASN 20 N -4.33 0.21 0.02 4.52 3.02 -0.77 -0.57 115.26 117.36 2jua n ASN 20 Ca -0.44 0.59 0.04 0.00 -0.03 0.00 0.00 54.58 54.74 2jua n ASN 20 Cb 0.78 -0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 2jua n ASN 20 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2jua n GLN 21 N -1.78 0.64 -1.58 3.52 7.27 -1.18 -4.28 117.38 119.98 2jua n GLN 21 Ca -0.01 0.06 -0.10 0.00 0.07 0.00 0.00 57.00 57.02 2jua n GLN 21 Cb 0.02 -1.70 0.09 0.00 2.41 0.00 0.00 30.24 31.06 2jua n GLN 21 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2jua n HIS 22 N -2.67 1.55 -2.55 3.69 8.25 0.27 -5.05 115.22 118.71 2jua n HIS 22 Ca -0.10 -1.88 -0.38 0.00 -0.26 0.00 0.00 57.72 55.10 2jua n HIS 22 Cb 0.76 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 2jua n HIS 22 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2jua s TRP 23 N -3.30 3.48 -0.18 4.41 -0.11 -0.43 -4.52 118.94 118.29 2jua s TRP 23 Ca 0.44 1.70 -0.07 0.00 1.22 0.00 0.00 56.10 59.39 2jua s TRP 23 Cb 0.39 -3.17 0.08 0.00 -1.50 0.00 0.00 33.47 29.27 2jua s TRP 23 CO -0.02 -0.45 0.39 -0.65 -4.62 0.00 0.00 176.95 171.61 2jua s GLN 24 N -1.93 0.30 0.00 5.86 -1.52 -1.26 -4.95 119.66 116.16 2jua s GLN 24 Ca 0.50 0.96 0.00 0.00 -1.95 0.00 0.00 55.36 54.88 2jua s GLN 24 Cb -0.26 0.24 0.00 0.00 -0.22 0.00 0.00 33.01 32.76 2jua s GLN 24 CO 0.33 -0.25 0.00 0.41 -0.25 0.00 0.00 175.29 175.54 2jua n GLY 25 N 5.26 0.38 0.47 3.09 0.00 -1.26 -4.47 105.19 108.67 2jua n GLY 25 Ca -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2jua n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 26 N 0.00 -0.98 0.00 -0.02 0.00 -1.26 -4.77 105.19 98.16 2jua n GLY 26 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2jua n GLY 26 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jua n GLN 27 N -0.01 0.00 0.04 1.61 7.27 -1.26 -1.11 117.38 123.92 2jua n GLN 27 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 2jua n GLN 27 Cb 0.00 -1.27 -0.10 0.00 2.41 0.00 0.00 30.24 31.28 2jua n GLN 27 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2jua h LYS 28 N 0.00 0.00 -0.26 3.69 2.10 -2.03 -3.30 116.57 116.78 2jua h LYS 28 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2jua h LYS 28 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2jua h LYS 28 CO 0.00 0.63 -0.11 -0.91 -2.00 0.00 0.00 179.45 177.07 2jua h ASN 29 N 0.00 0.40 0.00 7.07 -0.26 -1.42 -1.38 115.58 119.99 2jua h ASN 29 Ca -0.13 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 2jua h ASN 29 Cb 1.76 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.92 2jua h ASN 29 CO 0.09 0.55 0.15 -0.03 -1.06 0.00 0.00 177.43 177.12 2jua h MET 30 N 0.40 0.00 0.00 0.81 4.05 -1.73 0.80 114.93 119.26 2jua h MET 30 Ca 0.08 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.13 2jua h MET 30 Cb 0.43 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.16 2jua h MET 30 CO 0.02 0.00 -2.33 0.09 0.23 0.00 0.00 176.91 174.93 2jua n ASN 31 N -2.25 0.50 0.02 1.39 5.03 -0.53 -3.46 115.26 115.95 2jua n ASN 31 Ca -0.01 0.02 -0.07 0.00 0.87 0.00 0.00 54.58 55.39 2jua n ASN 31 Cb 0.18 0.59 -0.12 0.00 -1.02 0.00 0.00 39.78 39.40 2jua n ASN 31 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2jua h LYS 32 N 0.00 0.00 0.14 3.52 1.57 -0.75 -3.32 116.57 117.73 2jua h LYS 32 Ca -0.52 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 57.97 2jua h LYS 32 Cb 2.16 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.48 2jua h LYS 32 CO 0.02 0.65 -1.26 -0.39 -0.57 0.00 0.00 179.45 177.90 2jua h VAL 33 N 0.00 1.41 -0.66 0.50 -1.51 0.30 -3.04 116.25 113.24 2jua h VAL 33 Ca -0.17 -2.81 0.08 0.00 -1.23 0.00 0.00 66.70 62.57 2jua h VAL 33 Cb 1.87 2.86 -0.04 0.00 -2.13 0.00 0.00 31.29 33.86 2jua h VAL 33 CO 0.09 0.83 0.44 -0.78 -1.23 0.00 0.00 177.57 176.92 2jua h ASP 34 N 0.14 0.52 0.75 4.19 1.82 -1.68 -0.16 116.42 122.00 2jua h ASP 34 Ca -0.16 0.01 -0.19 0.00 -0.39 0.00 0.00 57.03 56.30 2jua h ASP 34 Cb 1.96 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 41.85 2jua h ASP 34 CO 0.22 0.32 -0.86 -0.74 -1.61 0.00 0.00 179.24 176.57 2jua h HIS 35 N 0.58 0.11 0.09 0.28 2.76 -1.65 -1.90 115.15 115.42 2jua h HIS 35 Ca 0.30 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2jua h HIS 35 Cb 0.40 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2jua h HIS 35 CO -0.00 0.89 -0.04 0.45 -1.30 0.00 0.00 177.93 177.93 2jua h HIS 36 N 0.04 -0.11 0.01 5.26 3.86 -0.93 -2.70 115.15 120.58 2jua h HIS 36 Ca -0.02 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2jua h HIS 36 Cb 1.50 0.04 0.00 0.00 1.06 0.00 0.00 27.41 30.01 2jua h HIS 36 CO 0.01 0.06 -0.01 -0.07 0.86 0.00 0.00 177.93 178.78 2jua h LEU 37 N -0.26 -0.01 -0.77 2.43 3.38 -1.47 -2.98 115.31 115.62 2jua h LEU 37 Ca -0.01 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.55 2jua h LEU 37 Cb 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 2jua h LEU 37 CO 0.02 0.48 -0.45 0.00 0.09 0.00 0.00 178.44 178.57 2jua n GLN 38 N -4.86 -0.34 -0.18 1.13 6.02 -0.71 0.40 117.38 118.83 2jua n GLN 38 Ca -0.08 1.26 0.21 0.00 -0.01 0.00 0.00 57.00 58.38 2jua n GLN 38 Cb 0.25 -1.86 0.59 0.00 1.02 0.00 0.00 30.24 30.24 2jua n GLN 38 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2jua h ASN 39 N 0.00 0.25 0.01 1.08 -1.24 -1.51 -0.28 115.58 113.88 2jua h ASN 39 Ca 0.12 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 2jua h ASN 39 Cb 0.31 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2jua h ASN 39 CO -0.72 0.11 -0.00 0.58 -1.29 0.00 0.00 177.43 176.10 2jua h VAL 40 N 0.25 0.00 -1.19 2.57 2.07 0.77 -1.90 116.25 118.83 2jua h VAL 40 Ca 0.41 -0.08 0.34 0.00 0.82 0.00 0.00 66.70 68.20 2jua h VAL 40 Cb 1.23 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2jua h VAL 40 CO -0.10 0.00 1.12 -0.38 0.02 0.00 0.00 177.57 178.23 2jua n ILE 41 N -2.25 0.00 0.07 4.57 5.41 0.44 0.37 119.36 127.96 2jua n ILE 41 Ca -0.00 1.16 -0.18 0.00 1.00 0.00 0.00 62.75 64.73 2jua n ILE 41 Cb 0.00 -2.02 -0.14 0.00 -0.71 0.00 0.00 39.64 36.77 2jua n ILE 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2jua h GLU 42 N 0.00 0.28 0.00 0.38 4.57 -1.08 -3.09 114.58 115.64 2jua h GLU 42 Ca 0.56 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jua h GLU 42 Cb 2.80 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 31.57 2jua h GLU 42 CO -0.01 1.15 -0.05 0.22 -1.18 0.00 0.00 179.01 179.14 2jua h ASP 43 N 0.08 0.00 0.03 1.04 1.82 0.74 -2.45 116.42 117.68 2jua h ASP 43 Ca -0.26 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.34 2jua h ASP 43 Cb 2.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.04 2jua h ASP 43 CO 0.17 0.05 -0.20 0.40 -1.61 0.00 0.00 179.24 178.04 2jua h ILE 44 N 0.00 1.71 -0.31 2.25 2.04 -1.30 -2.96 117.51 118.94 2jua h ILE 44 Ca -0.00 -2.38 0.09 0.00 1.00 0.00 0.00 64.86 63.57 2jua h ILE 44 Cb 0.33 3.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 2jua h ILE 44 CO 0.01 0.62 0.32 -0.74 0.00 0.00 0.00 178.15 178.36 2jua h HIS 45 N -0.87 0.00 -0.00 1.37 2.76 -1.41 1.31 115.15 118.30 2jua h HIS 45 Ca -0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2jua h HIS 45 Cb 1.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2jua h HIS 45 CO 0.26 0.00 -0.14 -0.25 -1.30 0.00 0.00 177.93 176.50 2jua n ASP 46 N -3.85 0.59 0.13 3.26 8.00 -0.95 -3.50 116.55 120.23 2jua n ASP 46 Ca 0.05 -0.63 0.03 0.00 0.71 0.00 0.00 54.79 54.94 2jua n ASP 46 Cb 0.47 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2jua h PHE 47 N 0.70 0.00 -0.07 1.24 3.04 0.19 -1.93 116.94 120.11 2jua h PHE 47 Ca 0.00 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.71 2jua h PHE 47 Cb 0.39 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.92 2jua h PHE 47 CO 0.00 0.49 -0.90 0.00 -2.02 0.00 0.00 178.31 175.88 2jua h MET 48 N 0.00 0.70 0.14 1.11 -0.00 -1.59 -3.28 114.93 112.01 2jua h MET 48 Ca -0.02 -0.65 -0.30 0.00 -0.00 0.00 0.00 59.70 58.73 2jua h MET 48 Cb 1.39 0.16 0.03 0.00 -0.00 0.00 0.00 31.60 33.18 2jua h MET 48 CO 0.06 1.25 -1.28 -0.56 -0.00 0.00 0.00 176.91 176.39 2jua h GLN 49 N 0.44 0.56 0.00 -0.10 -0.00 -1.72 -3.01 115.11 111.27 2jua h GLN 49 Ca -0.09 -0.79 0.00 0.00 -0.00 0.00 0.00 58.65 57.78 2jua h GLN 49 Cb 1.54 0.27 0.00 0.00 -0.00 0.00 0.00 27.48 29.29 2jua h GLN 49 CO 0.18 1.36 0.04 0.41 -0.00 0.00 0.00 178.83 180.82 2jua n GLY 50 N 1.43 -0.09 4.73 0.06 0.00 -0.73 -4.66 105.19 105.94 2jua n GLY 50 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2jua n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 51 N -0.97 0.73 0.00 -0.02 0.00 -1.14 -2.93 105.19 100.87 2jua n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jua n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 52 N -0.50 0.00 2.65 -0.02 0.00 -1.26 -5.02 105.19 101.04 2jua n GLY 52 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jua n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jua n SER 53 N 0.00 4.93 0.00 1.61 7.64 -1.15 -4.69 113.62 121.96 2jua n SER 53 Ca 0.00 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.08 2jua n SER 53 Cb 0.00 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.57 2jua n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jua n GLY 54 N 3.94 -0.27 0.10 0.23 0.00 -1.26 0.15 105.19 108.08 2jua n GLY 54 Ca 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 2jua n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jua h GLY 55 N 0.00 0.00 2.00 -0.02 0.00 -2.01 -3.01 103.07 100.03 2jua h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jua h GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2jua n LYS 56 N -3.24 0.24 -0.07 4.80 5.02 0.40 -3.65 118.16 121.66 2jua n LYS 56 Ca -0.01 0.23 -0.06 0.00 -2.02 0.00 0.00 58.31 56.46 2jua n LYS 56 Cb 0.84 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 2jua n LYS 56 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2jua h LEU 57 N 0.00 0.00 -0.34 -0.35 6.46 -1.53 -3.28 115.31 116.27 2jua h LEU 57 Ca 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2jua h LEU 57 Cb 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2jua h LEU 57 CO 0.00 0.77 0.51 0.00 -0.62 0.00 0.00 178.44 179.10 2jua n GLN 58 N -4.65 0.04 0.04 1.25 3.00 -1.14 0.31 117.38 116.23 2jua n GLN 58 Ca -0.08 0.45 -0.07 0.00 -0.01 0.00 0.00 57.00 57.29 2jua n GLN 58 Cb 0.24 -2.14 -0.05 0.00 0.00 0.00 0.00 30.24 28.29 2jua n GLN 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2jua h GLU 59 N 0.00 -0.21 0.00 -1.09 4.39 -1.63 -3.23 114.58 112.82 2jua h GLU 59 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2jua h GLU 59 Cb 1.02 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2jua h GLU 59 CO 0.00 0.08 -0.11 0.00 -1.16 0.00 0.00 179.01 177.81 2jua h MET 60 N -1.00 0.00 -0.96 2.33 -0.00 -0.24 -2.88 114.93 112.18 2jua h MET 60 Ca -0.02 0.00 0.30 0.00 -0.00 0.00 0.00 59.70 59.98 2jua h MET 60 Cb 0.38 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 31.83 2jua h MET 60 CO 0.04 0.11 0.37 1.98 -0.00 0.00 0.00 176.91 179.41 2jua h MET 61 N 0.00 0.17 0.31 -0.10 1.85 -0.94 1.56 114.93 117.78 2jua h MET 61 Ca -0.00 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 2jua h MET 61 Cb 0.46 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.45 2jua h MET 61 CO 0.01 0.11 -0.15 0.87 -0.40 0.00 0.00 176.91 177.36 2jua h LYS 62 N 0.18 -0.40 -0.61 0.39 1.57 -1.64 0.10 116.57 116.16 2jua h LYS 62 Ca 0.67 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.41 2jua h LYS 62 Cb 1.52 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 2jua h LYS 62 CO -0.70 -0.20 0.13 1.49 -0.57 0.00 0.00 179.45 179.59 2jua h GLU 63 N -0.51 1.00 -0.29 3.15 4.57 -0.50 -0.46 114.58 121.54 2jua h GLU 63 Ca -0.04 -0.25 0.05 0.00 -1.18 0.00 0.00 59.36 57.93 2jua h GLU 63 Cb 0.38 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 2jua h GLU 63 CO 0.07 0.92 0.01 0.35 -1.18 0.00 0.00 179.01 179.19 2jua h PHE 64 N 0.91 0.01 0.00 0.92 3.04 0.22 0.31 116.94 122.35 2jua h PHE 64 Ca 0.19 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2jua h PHE 64 Cb 0.39 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.94 2jua h PHE 64 CO 0.03 -0.03 0.00 0.94 -2.02 0.00 0.00 178.31 177.23 2jua n GLN 65 N -5.15 0.03 0.07 1.11 7.27 0.34 -2.87 117.38 118.19 2jua n GLN 65 Ca -0.00 0.14 -0.00 0.00 0.07 0.00 0.00 57.00 57.20 2jua n GLN 65 Cb 0.15 -1.55 -0.05 0.00 2.41 0.00 0.00 30.24 31.19 2jua n GLN 65 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2jua h GLN 66 N 0.00 0.00 0.09 3.69 1.08 0.74 -3.28 115.11 117.44 2jua h GLN 66 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jua h GLN 66 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2jua h GLN 66 CO 0.00 0.44 -0.04 0.28 -0.95 0.00 0.00 178.83 178.56 2jua h VAL 67 N 0.00 0.00 -1.50 -0.54 2.07 -1.17 -2.20 116.25 112.92 2jua h VAL 67 Ca -0.10 -0.65 0.44 0.00 0.82 0.00 0.00 66.70 67.20 2jua h VAL 67 Cb 1.56 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2jua h VAL 67 CO 0.06 0.00 1.08 0.17 0.02 0.00 0.00 177.57 178.90 2jua h LEU 68 N -0.77 0.01 0.00 2.57 8.10 -1.74 2.69 115.31 126.17 2jua h LEU 68 Ca -0.01 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 2jua h LEU 68 Cb 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 2jua h LEU 68 CO 0.02 -0.00 -0.55 -0.78 -4.11 0.00 0.00 178.44 173.01 2jua h ASP 69 N 0.01 0.00 0.19 0.17 1.82 -1.61 -1.74 116.42 115.26 2jua h ASP 69 Ca 0.72 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 57.05 2jua h ASP 69 Cb 2.86 0.00 0.02 0.00 0.68 0.00 0.00 39.33 42.89 2jua h ASP 69 CO -0.02 0.35 -1.46 -0.33 -1.61 0.00 0.00 179.24 176.17 2jua h GLU 70 N 0.00 0.41 -0.05 0.28 4.39 0.52 -3.32 114.58 116.81 2jua h GLU 70 Ca -0.02 -0.70 -0.10 0.00 0.34 0.00 0.00 59.36 58.87 2jua h GLU 70 Cb 1.29 0.26 0.01 0.00 -0.10 0.00 0.00 28.75 30.21 2jua h GLU 70 CO 0.04 1.34 -0.36 0.82 -1.16 0.00 0.00 179.01 179.69 2jua h ILE 71 N -0.02 1.44 -0.96 3.13 2.04 -0.82 -3.20 117.51 119.13 2jua h ILE 71 Ca -0.28 -1.82 0.27 0.00 1.00 0.00 0.00 64.86 64.04 2jua h ILE 71 Cb 2.00 2.44 -0.18 0.00 -0.74 0.00 0.00 36.82 40.34 2jua h ILE 71 CO 0.19 0.52 0.04 1.17 0.00 0.00 0.00 178.15 180.07 2jua n LYS 72 N -4.40 -0.08 -0.28 2.37 4.81 -0.66 0.27 118.16 120.20 2jua n LYS 72 Ca -0.09 1.44 -0.03 0.00 -0.87 0.00 0.00 58.31 58.76 2jua n LYS 72 Cb 0.53 -2.30 0.08 0.00 0.02 0.00 0.00 35.03 33.36 2jua n LYS 72 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2jua h GLN 73 N 0.00 0.98 -0.64 1.64 4.15 -1.65 -2.19 115.11 117.39 2jua h GLN 73 Ca 0.59 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 60.09 2jua h GLN 73 Cb 1.24 -0.22 -0.11 0.00 0.21 0.00 0.00 27.48 28.60 2jua h GLN 73 CO -0.90 0.65 -0.04 1.96 -1.93 0.00 0.00 178.83 178.57 2jua h GLN 74 N 1.01 0.08 -0.30 1.69 1.08 0.38 0.51 115.11 119.56 2jua h GLN 74 Ca 0.30 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.58 2jua h GLN 74 Cb -0.06 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2jua h GLN 74 CO -0.09 0.05 0.99 1.28 -0.95 0.00 0.00 178.83 180.12 2jua n LEU 75 N -5.33 0.00 -1.16 1.46 7.99 -0.82 -0.81 117.00 118.34 2jua n LEU 75 Ca 0.09 0.54 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 2jua n LEU 75 Cb 0.37 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 2jua n LEU 75 CO 0.08 -0.54 0.22 1.67 -1.51 0.00 0.00 177.39 177.32 2jua n GLN 76 N -2.58 0.38 0.00 3.23 7.27 0.18 -4.52 117.38 121.34 2jua n GLN 76 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2jua n GLN 76 Cb 1.08 -1.31 0.00 0.00 2.41 0.00 0.00 30.24 32.42 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jua n GLY 77 N 1.00 3.24 1.90 1.69 0.00 0.01 -5.00 105.19 108.04 2jua n GLY 77 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 2jua n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 78 N 0.00 2.61 1.85 -0.02 0.00 -1.26 -4.25 105.19 104.12 2jua n GLY 78 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 2jua n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jua n ASP 79 N 2.24 3.60 0.00 1.61 9.92 -1.26 -4.64 116.55 128.02 2jua n ASP 79 Ca 0.26 -3.70 0.00 0.00 -0.53 0.00 0.00 54.79 50.82 2jua n ASP 79 Cb 0.70 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 2jua n ASP 79 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jua n ASN 80 N -1.11 0.00 0.01 -2.24 3.02 -1.26 0.24 115.26 113.91 2jua n ASN 80 Ca 0.50 0.22 -0.20 0.00 -0.03 0.00 0.00 54.58 55.07 2jua n ASN 80 Cb 1.35 -0.22 -0.14 0.00 -0.61 0.00 0.00 39.78 40.16 2jua n ASN 80 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2jua h SER 81 N 0.00 0.34 -0.88 6.41 0.87 -1.87 -3.29 113.55 115.13 2jua h SER 81 Ca 0.00 -0.87 0.05 0.00 -1.23 0.00 0.00 61.79 59.74 2jua h SER 81 Cb 0.30 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 2jua h SER 81 CO 0.00 1.47 0.57 -0.07 -0.53 0.00 0.00 176.83 178.27 2jua h LEU 82 N -0.46 0.90 -1.58 2.23 4.07 -0.44 0.22 115.31 120.25 2jua h LEU 82 Ca -0.22 -0.00 0.31 0.00 0.08 0.00 0.00 57.88 58.04 2jua h LEU 82 Cb 1.60 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 43.11 2jua h LEU 82 CO 0.06 0.60 1.01 -0.74 -1.08 0.00 0.00 178.44 178.29 2jua h HIS 83 N 1.03 0.00 0.02 1.13 2.76 -1.57 3.24 115.15 121.76 2jua h HIS 83 Ca 0.37 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 58.19 2jua h HIS 83 Cb 0.13 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 2jua h HIS 83 CO -0.00 0.00 -2.14 0.09 -1.30 0.00 0.00 177.93 174.58 2jua n ASN 84 N -3.61 0.90 -0.09 3.26 3.02 0.71 -3.76 115.26 115.69 2jua n ASN 84 Ca 0.23 0.14 -0.21 0.00 -0.03 0.00 0.00 54.58 54.71 2jua n ASN 84 Cb 1.34 0.17 -0.12 0.00 -0.61 0.00 0.00 39.78 40.56 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2jua h VAL 85 N 0.01 1.03 -0.66 2.41 2.07 0.20 -3.34 116.25 117.97 2jua h VAL 85 Ca -0.45 -2.22 0.14 0.00 0.82 0.00 0.00 66.70 64.98 2jua h VAL 85 Cb 2.09 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 34.25 2jua h VAL 85 CO 0.03 0.40 0.45 -0.74 0.02 0.00 0.00 177.57 177.74 2jua h HIS 86 N -0.91 0.35 0.00 1.57 -0.00 0.51 0.78 115.15 117.45 2jua h HIS 86 Ca -0.30 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 2jua h HIS 86 Cb 1.33 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 2jua h HIS 86 CO 0.12 0.14 0.00 0.39 -0.00 0.00 0.00 177.93 178.59 2jua n GLU 87 N -4.45 0.12 0.04 5.26 4.71 -1.22 -3.31 120.64 121.79 2jua n GLU 87 Ca 0.12 0.43 -0.02 0.00 -0.01 0.00 0.00 57.16 57.68 2jua n GLU 87 Cb 0.51 -1.77 -0.01 0.00 -1.01 0.00 0.00 31.44 29.16 2jua n GLU 87 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2jua h ASN 88 N 0.00 -0.11 -0.74 1.62 4.21 0.46 -3.28 115.58 117.74 2jua h ASN 88 Ca 0.00 0.00 0.11 0.00 1.21 0.00 0.00 56.30 57.63 2jua h ASN 88 Cb 0.23 0.03 -0.12 0.00 -1.12 0.00 0.00 38.32 37.34 2jua h ASN 88 CO 0.00 0.06 -0.29 -0.38 -1.29 0.00 0.00 177.43 175.52 2jua n ILE 89 N -3.13 -0.39 -0.31 2.81 5.41 -1.21 0.17 119.36 122.71 2jua n ILE 89 Ca -0.02 1.74 0.03 0.00 1.00 0.00 0.00 62.75 65.49 2jua n ILE 89 Cb 0.05 -2.29 0.10 0.00 -0.71 0.00 0.00 39.64 36.79 2jua n ILE 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jua h LYS 90 N 0.00 -0.01 0.20 0.38 3.64 -1.67 2.72 116.57 121.82 2jua h LYS 90 Ca 0.25 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.28 2jua h LYS 90 Cb 0.44 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2jua h LYS 90 CO -0.73 -0.01 -1.70 1.49 -2.27 0.00 0.00 179.45 176.23 2jua h GLU 91 N -0.01 0.42 0.55 1.90 4.81 0.12 -3.07 114.58 119.29 2jua h GLU 91 Ca 0.40 -0.72 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2jua h GLU 91 Cb 0.63 0.27 0.01 0.00 0.63 0.00 0.00 28.75 30.29 2jua h GLU 91 CO -0.90 1.34 -0.26 0.82 -0.73 0.00 0.00 179.01 179.28 2jua h ILE 92 N 0.12 0.36 -0.43 2.32 1.08 0.34 -1.49 117.51 119.80 2jua h ILE 92 Ca -0.33 -0.33 0.07 0.00 -0.39 0.00 0.00 64.86 63.89 2jua h ILE 92 Cb 2.11 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 36.28 2jua h ILE 92 CO 0.20 0.04 0.09 0.15 -0.69 0.00 0.00 178.15 177.94 2jua h PHE 93 N -0.96 0.15 0.00 1.37 3.57 0.45 0.33 116.94 121.85 2jua h PHE 93 Ca -0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2jua h PHE 93 Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2jua h PHE 93 CO 0.00 0.01 0.00 1.58 -2.23 0.00 0.00 178.31 177.67 2jua n HIS 94 N -5.10 0.00 0.14 0.41 -0.00 -1.16 -1.81 115.22 107.70 2jua n HIS 94 Ca 0.04 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.25 2jua n HIS 94 Cb 0.20 -0.44 0.03 0.00 -0.12 0.00 0.00 29.99 29.66 2jua n HIS 94 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2jua h HIS 95 N 0.00 0.00 0.15 1.57 3.86 0.77 -3.29 115.15 118.21 2jua h HIS 95 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2jua h HIS 95 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2jua h HIS 95 CO 0.00 0.45 -0.07 1.25 0.86 0.00 0.00 177.93 180.42 2jua h LEU 96 N 0.00 -0.17 0.00 2.43 6.46 -1.24 -2.82 115.31 119.97 2jua h LEU 96 Ca -0.02 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2jua h LEU 96 Cb 1.36 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2jua h LEU 96 CO 0.06 0.40 0.16 1.21 -0.62 0.00 0.00 178.44 179.65 2jua n GLU 97 N -4.89 0.00 0.06 1.25 2.13 -1.24 0.13 120.64 118.08 2jua n GLU 97 Ca -0.06 0.16 -0.23 0.00 0.66 0.00 0.00 57.16 57.70 2jua n GLU 97 Cb 0.21 -1.66 -0.15 0.00 0.27 0.00 0.00 31.44 30.11 2jua n GLU 97 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jua h GLU 98 N 0.00 0.37 0.00 5.31 4.81 -1.57 -0.59 114.58 122.91 2jua h GLU 98 Ca 0.00 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2jua h GLU 98 Cb 0.32 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2jua h GLU 98 CO 0.00 1.30 0.00 1.28 -0.73 0.00 0.00 179.01 180.86 2jua n LEU 99 N -3.60 0.54 -0.08 1.64 4.77 0.35 -2.26 117.00 118.35 2jua n LEU 99 Ca -0.26 0.72 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 2jua n LEU 99 Cb 1.06 -0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 2jua n LEU 99 CO 0.49 -0.84 -1.02 1.33 -1.33 0.00 0.00 177.39 176.02 2jua n VAL 100 N -2.19 0.97 -0.22 4.08 0.24 -1.18 -4.43 118.33 115.60 2jua n VAL 100 Ca -0.01 -0.44 0.29 0.00 -2.04 0.00 0.00 64.34 62.14 2jua n VAL 100 Cb 0.07 -0.96 0.71 0.00 -1.47 0.00 0.00 33.84 32.19 2jua n VAL 100 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2jua h HIS 101 N 0.00 0.06 0.00 6.34 6.17 -0.65 -3.49 115.15 123.58 2jua h HIS 101 Ca -0.38 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.70 2jua h HIS 101 Cb 1.68 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.59 2jua h HIS 101 CO 0.01 0.01 0.00 0.54 0.71 0.00 0.00 177.93 179.20