#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 1.12 0.18 -1.26 -4.89 117.16 112.31 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2jua n TYR 2 Cb 0.00 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 38.83 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jua n GLY 3 N -0.88 0.75 0.24 -7.48 0.00 -1.26 -4.98 105.19 91.58 2jua n GLY 3 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 2.48 0.82 -0.82 1.61 1.57 -2.02 -3.22 116.57 116.99 2jua h LYS 4 Ca 0.00 -0.55 0.11 0.00 -1.87 0.00 0.00 60.65 58.34 2jua h LYS 4 Cb 0.00 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.26 2jua h LYS 4 CO 0.00 1.18 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.53 2jua h LEU 5 N 0.62 -1.66 -1.32 2.94 -0.00 -1.96 2.33 115.31 116.26 2jua h LEU 5 Ca -0.00 0.29 0.47 0.00 -0.00 0.00 0.00 57.88 58.63 2jua h LEU 5 Cb 1.21 0.78 -0.14 0.00 -0.00 0.00 0.00 40.66 42.51 2jua h LEU 5 CO 0.13 -0.29 0.84 0.59 -0.00 0.00 0.00 178.44 179.70 2jua n ASN 6 N -5.39 0.22 -0.22 -0.43 3.02 -1.22 0.46 115.26 111.71 2jua n ASN 6 Ca 0.04 1.40 -0.09 0.00 -0.03 0.00 0.00 54.58 55.90 2jua n ASN 6 Cb 0.34 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 38.86 2jua n ASN 6 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2jua h ASP 7 N 0.00 1.02 -0.02 6.41 1.82 0.38 1.00 116.42 127.03 2jua h ASP 7 Ca 0.87 -0.28 -0.09 0.00 -0.39 0.00 0.00 57.03 57.14 2jua h ASP 7 Cb 2.74 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 42.49 2jua h ASP 7 CO -0.49 1.04 -0.35 -0.07 -1.61 0.00 0.00 179.24 177.77 2jua h LEU 8 N 0.96 0.34 0.69 2.28 -0.00 1.06 -1.94 115.31 118.70 2jua h LEU 8 Ca 0.18 -0.73 -0.03 0.00 -0.00 0.00 0.00 57.88 57.30 2jua h LEU 8 Cb 0.48 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 2jua h LEU 8 CO 0.02 1.02 -0.33 0.25 -0.00 0.00 0.00 178.44 179.40 2jua h LEU 9 N -0.31 -0.79 0.20 1.67 6.46 0.24 0.14 115.31 122.91 2jua h LEU 9 Ca -0.04 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2jua h LEU 9 Cb 1.06 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 2jua h LEU 9 CO 0.07 -0.52 -0.41 -0.08 -0.62 0.00 0.00 178.44 176.88 2jua h GLU 10 N -1.00 -0.67 -0.19 1.25 4.81 0.91 0.24 114.58 119.92 2jua h GLU 10 Ca -0.09 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2jua h GLU 10 Cb 0.71 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2jua h GLU 10 CO 0.16 -0.44 0.20 -0.44 -0.73 0.00 0.00 179.01 177.75 2jua h ASP 11 N -0.69 0.00 0.04 1.04 5.19 -1.39 0.20 116.42 120.80 2jua h ASP 11 Ca 0.01 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2jua h ASP 11 Cb 0.69 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.20 2jua h ASP 11 CO -0.19 0.00 -0.23 0.25 -3.12 0.00 0.00 179.24 175.95 2jua h LEU 12 N 0.00 0.14 -1.32 1.55 5.85 0.13 -3.09 115.31 118.57 2jua h LEU 12 Ca 0.09 -0.96 -0.05 0.00 0.84 0.00 0.00 57.88 57.80 2jua h LEU 12 Cb 0.49 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2jua h LEU 12 CO -0.00 1.09 -0.25 0.06 -0.34 0.00 0.00 178.44 178.99 2jua h GLN 13 N -0.78 0.00 0.80 1.25 3.07 0.00 -3.05 115.11 116.40 2jua h GLN 13 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.66 2jua h GLN 13 Cb 1.15 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.72 2jua h GLN 13 CO 0.04 0.25 -0.38 0.93 0.09 0.00 0.00 178.83 179.76 2jua h GLU 14 N 0.00 -1.04 -0.96 0.06 5.08 -0.69 -0.96 114.58 116.07 2jua h GLU 14 Ca -0.00 0.07 0.31 0.00 -1.00 0.00 0.00 59.36 58.73 2jua h GLU 14 Cb 0.66 0.24 -0.15 0.00 0.50 0.00 0.00 28.75 29.99 2jua h GLU 14 CO 0.03 -0.69 0.42 -0.39 -1.00 0.00 0.00 179.01 177.38 2jua h VAL 15 N -1.27 0.24 -0.05 3.13 -1.51 -1.50 4.12 116.25 119.42 2jua h VAL 15 Ca -0.11 -0.08 -0.03 0.00 -1.23 0.00 0.00 66.70 65.26 2jua h VAL 15 Cb 0.82 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 2jua h VAL 15 CO 0.18 0.04 -0.11 0.25 -1.23 0.00 0.00 177.57 176.70 2jua h LEU 16 N 0.22 0.06 0.04 4.19 5.85 -1.35 0.10 115.31 124.43 2jua h LEU 16 Ca 0.69 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 59.29 2jua h LEU 16 Cb 1.55 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.58 2jua h LEU 16 CO -0.67 0.18 -0.43 0.50 -0.34 0.00 0.00 178.44 177.68 2jua h LYS 17 N 0.07 0.21 0.00 1.25 3.64 0.91 -1.03 116.57 121.62 2jua h LYS 17 Ca 0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2jua h LYS 17 Cb 0.24 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jua h LYS 17 CO 0.02 1.07 0.00 1.58 -2.27 0.00 0.00 179.45 179.84 2jua n HIS 18 N -4.36 0.00 0.01 1.91 -0.00 0.13 -2.44 115.22 110.47 2jua n HIS 18 Ca -0.11 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.08 2jua n HIS 18 Cb 0.62 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.48 2jua n HIS 18 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2jua n VAL 19 N -0.74 0.00 0.04 3.57 0.31 0.32 -4.21 118.33 117.61 2jua n VAL 19 Ca 0.08 -0.10 -0.08 0.00 -0.01 0.00 0.00 64.34 64.23 2jua n VAL 19 Cb 0.04 0.55 0.09 0.00 -0.91 0.00 0.00 33.84 33.60 2jua n VAL 19 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2jua h ASN 20 N 0.00 0.48 0.55 4.52 2.35 -0.84 -2.86 115.58 119.78 2jua h ASN 20 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2jua h ASN 20 Cb 0.07 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2jua h ASN 20 CO 0.00 0.94 -1.30 1.67 -1.65 0.00 0.00 177.43 177.09 2jua n GLN 21 N -3.94 0.53 -1.26 0.81 -0.06 -1.25 -4.13 117.38 108.08 2jua n GLN 21 Ca -0.03 -0.01 -0.22 0.00 -2.00 0.00 0.00 57.00 54.75 2jua n GLN 21 Cb 0.60 -1.67 0.13 0.00 -4.06 0.00 0.00 30.24 25.24 2jua n GLN 21 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2jua n HIS 22 N -2.36 2.53 -3.13 3.69 8.25 -1.20 -4.99 115.22 118.01 2jua n HIS 22 Ca -0.01 -2.20 -0.37 0.00 -0.26 0.00 0.00 57.72 54.88 2jua n HIS 22 Cb 0.52 -0.89 -0.06 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.49 3.74 -0.19 4.41 -0.11 -1.09 -4.52 118.94 117.70 2jua s TRP 23 Ca 0.55 1.40 -0.09 0.00 1.22 0.00 0.00 56.10 59.18 2jua s TRP 23 Cb 0.46 -2.61 0.07 0.00 -1.50 0.00 0.00 33.47 29.90 2jua s TRP 23 CO 0.03 0.44 0.43 -0.65 -4.62 0.00 0.00 176.95 172.58 2jua s GLN 24 N -1.59 0.38 0.00 5.86 -0.21 -1.26 -4.85 119.66 117.98 2jua s GLN 24 Ca 0.38 0.92 0.00 0.00 0.02 0.00 0.00 55.36 56.68 2jua s GLN 24 Cb -0.19 0.14 0.00 0.00 1.00 0.00 0.00 33.01 33.96 2jua s GLN 24 CO 0.22 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 2jua n GLY 25 N 4.75 1.00 0.00 3.09 0.00 -1.26 -4.42 105.19 108.35 2jua n GLY 25 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.49 0.57 -0.02 0.00 -1.26 -4.89 105.19 100.08 2jua n GLY 26 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.46 -0.01 1.61 7.27 -1.26 -2.42 117.38 123.03 2jua n GLN 27 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.17 2jua n GLN 27 Cb 0.00 -1.24 -0.16 0.00 2.41 0.00 0.00 30.24 31.25 2jua n GLN 27 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2jua n LYS 28 N 0.34 0.66 0.05 3.69 2.85 -1.26 -4.28 118.16 120.21 2jua n LYS 28 Ca 0.00 -0.18 -0.15 0.00 -1.05 0.00 0.00 58.31 56.93 2jua n LYS 28 Cb 0.13 -1.53 -0.06 0.00 -0.65 0.00 0.00 35.03 32.92 2jua n LYS 28 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2jua h ASN 29 N 0.00 0.68 -1.35 -5.58 4.21 -1.83 -3.14 115.58 108.57 2jua h ASN 29 Ca -0.03 -0.52 0.43 0.00 1.21 0.00 0.00 56.30 57.38 2jua h ASN 29 Cb 1.07 -0.21 -0.12 0.00 -1.12 0.00 0.00 38.32 37.95 2jua h ASN 29 CO 0.00 1.32 0.89 -0.03 -1.29 0.00 0.00 177.43 178.32 2jua h MET 30 N 0.32 0.09 0.09 0.81 4.05 -1.77 1.23 114.93 119.76 2jua h MET 30 Ca -0.09 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.19 2jua h MET 30 Cb 1.57 -0.02 0.02 0.00 -0.80 0.00 0.00 31.60 32.36 2jua h MET 30 CO 0.17 0.06 -0.59 -0.91 0.23 0.00 0.00 176.91 175.87 2jua h ASN 31 N 0.10 0.35 -0.50 1.39 -0.26 -1.80 -1.06 115.58 113.80 2jua h ASN 31 Ca 0.80 -0.95 -0.09 0.00 -0.56 0.00 0.00 56.30 55.51 2jua h ASN 31 Cb 2.59 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 39.72 2jua h ASN 31 CO -0.36 1.27 -0.05 0.11 -1.06 0.00 0.00 177.43 177.35 2jua h LYS 32 N -0.51 0.92 -0.02 0.81 1.57 -0.11 -2.96 116.57 116.28 2jua h LYS 32 Ca -0.10 -0.32 -0.18 0.00 -1.87 0.00 0.00 60.65 58.18 2jua h LYS 32 Cb 1.45 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 2jua h LYS 32 CO 0.11 0.97 -0.80 -0.39 -0.57 0.00 0.00 179.45 178.77 2jua h VAL 33 N 0.78 1.46 -0.99 0.50 -1.51 0.11 -3.17 116.25 113.43 2jua h VAL 33 Ca 0.14 -2.42 0.09 0.00 -1.23 0.00 0.00 66.70 63.27 2jua h VAL 33 Cb 0.58 2.32 -0.08 0.00 -2.13 0.00 0.00 31.29 31.99 2jua h VAL 33 CO 0.03 0.71 0.63 -0.78 -1.23 0.00 0.00 177.57 176.94 2jua h ASP 34 N 0.14 0.97 0.57 4.19 3.58 -1.03 0.27 116.42 125.11 2jua h ASP 34 Ca -0.03 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2jua h ASP 34 Cb 1.39 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2jua h ASP 34 CO 0.12 0.57 -0.47 0.45 -2.88 0.00 0.00 179.24 177.04 2jua h HIS 35 N 1.08 0.00 0.21 0.28 -0.00 -1.50 -1.21 115.15 114.01 2jua h HIS 35 Ca 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.82 2jua h HIS 35 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2jua h HIS 35 CO -0.01 0.47 -0.10 0.45 -0.00 0.00 0.00 177.93 178.74 2jua h HIS 36 N 0.00 -0.26 0.37 2.45 3.86 -0.95 -2.71 115.15 117.92 2jua h HIS 36 Ca -0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2jua h HIS 36 Cb 0.88 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2jua h HIS 36 CO 0.00 -0.01 -0.18 -0.07 0.86 0.00 0.00 177.93 178.53 2jua h LEU 37 N -0.49 -0.42 -1.21 2.43 3.38 -1.41 -2.53 115.31 115.06 2jua h LEU 37 Ca -0.03 -0.14 0.41 0.00 0.09 0.00 0.00 57.88 58.22 2jua h LEU 37 Cb 0.37 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2jua h LEU 37 CO 0.05 0.00 0.79 0.00 0.09 0.00 0.00 178.44 179.36 2jua n GLN 38 N -5.14 -0.03 0.07 1.13 6.02 -0.46 0.45 117.38 119.42 2jua n GLN 38 Ca -0.09 1.06 -0.06 0.00 -0.01 0.00 0.00 57.00 57.90 2jua n GLN 38 Cb 0.27 -2.12 -0.10 0.00 1.02 0.00 0.00 30.24 29.32 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 0.00 0.00 1.08 -0.00 -1.30 -3.16 115.58 112.19 2jua h ASN 39 Ca 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 57.06 2jua h ASN 39 Cb 2.48 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.80 2jua h ASN 39 CO -0.37 0.95 -0.08 0.58 -0.00 0.00 0.00 177.43 178.50 2jua h VAL 40 N 0.00 0.00 -1.39 2.57 2.07 1.01 -3.11 116.25 117.40 2jua h VAL 40 Ca -0.01 -0.92 0.48 0.00 0.82 0.00 0.00 66.70 67.07 2jua h VAL 40 Cb 1.71 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.35 2jua h VAL 40 CO 0.12 0.00 0.90 -0.38 0.02 0.00 0.00 177.57 178.23 2jua n ILE 41 N -4.53 -0.23 -0.08 4.57 5.41 0.96 0.41 119.36 125.87 2jua n ILE 41 Ca -0.01 1.76 -0.05 0.00 1.00 0.00 0.00 62.75 65.44 2jua n ILE 41 Cb 0.04 -2.88 0.14 0.00 -0.71 0.00 0.00 39.64 36.24 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 0.73 -0.30 0.38 4.81 -1.61 -1.96 114.58 116.63 2jua h GLU 42 Ca 0.87 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.86 2jua h GLU 42 Cb 2.84 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 32.14 2jua h GLU 42 CO -0.43 0.82 0.19 0.22 -0.73 0.00 0.00 179.01 179.08 2jua h ASP 43 N 0.67 0.33 0.17 1.04 3.58 0.82 -1.24 116.42 121.79 2jua h ASP 43 Ca 0.11 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2jua h ASP 43 Cb 0.58 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2jua h ASP 43 CO 0.04 0.24 -0.09 0.40 -2.88 0.00 0.00 179.24 176.95 2jua h ILE 44 N 0.40 0.82 -0.83 2.25 2.04 -1.17 -0.55 117.51 120.47 2jua h ILE 44 Ca 0.11 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.21 2jua h ILE 44 Cb -0.04 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2jua h ILE 44 CO -0.03 0.00 0.60 -0.74 0.00 0.00 0.00 178.15 177.98 2jua h HIS 45 N -0.24 0.01 -0.00 1.37 2.76 -1.04 1.80 115.15 119.79 2jua h HIS 45 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2jua h HIS 45 Cb 0.19 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2jua h HIS 45 CO -0.07 0.00 -0.19 -3.47 -1.30 0.00 0.00 177.93 172.90 2jua n ASP 46 N -4.29 0.43 0.04 3.26 2.03 -0.34 -3.24 116.55 114.45 2jua n ASP 46 Ca 0.17 -0.31 0.13 0.00 0.52 0.00 0.00 54.79 55.30 2jua n ASP 46 Cb 0.90 -0.06 0.44 0.00 -0.72 0.00 0.00 41.12 41.67 2jua n ASP 46 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jua n PHE 47 N -1.16 0.32 0.03 -0.67 -0.00 0.61 0.34 117.46 116.93 2jua n PHE 47 Ca 0.11 0.09 -0.09 0.00 -0.00 0.00 0.00 57.45 57.56 2jua n PHE 47 Cb 0.31 -0.60 -0.13 0.00 -0.00 0.00 0.00 39.48 39.06 2jua n PHE 47 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 2jua h MET 48 N 0.00 0.04 0.00 -4.13 0.00 -1.51 -3.37 114.93 105.97 2jua h MET 48 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 59.70 59.45 2jua h MET 48 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 31.60 32.19 2jua h MET 48 CO 0.00 0.84 -1.96 0.00 0.00 0.00 0.00 176.91 175.79 2jua n GLN 49 N -3.26 1.14 0.00 1.72 -0.00 -1.20 -4.30 117.38 111.47 2jua n GLN 49 Ca -0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 2jua n GLN 49 Cb 1.00 -1.40 0.00 0.00 -0.00 0.00 0.00 30.24 29.84 2jua n GLN 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jua n GLY 50 N 1.87 0.00 4.76 2.61 0.00 0.15 -4.70 105.19 109.89 2jua n GLY 50 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.76 0.57 0.00 -0.02 0.00 -1.26 -2.95 105.19 100.77 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 0.00 0.00 2.89 -0.02 0.00 -1.26 -5.04 105.19 101.76 2jua n GLY 52 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.95 0.00 1.61 7.64 -1.15 -4.70 113.62 120.97 2jua n SER 53 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 2jua n SER 53 Cb 0.00 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.56 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 4.34 -0.13 0.09 0.23 0.00 -1.26 0.51 105.19 108.97 2jua n GLY 54 Ca 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 2jua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 55 N -1.03 -0.92 0.16 -0.02 0.00 -1.26 -3.57 105.19 98.55 2jua n GLY 55 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2jua n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jua h LYS 56 N 0.01 0.00 0.00 1.61 1.79 -0.34 -3.24 116.57 116.40 2jua h LYS 56 Ca -0.34 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.12 2jua h LYS 56 Cb 2.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.69 2jua h LYS 56 CO 0.07 0.00 -0.20 1.25 -1.08 0.00 0.00 179.45 179.49 2jua h LEU 57 N 0.00 0.00 0.00 2.94 6.46 -1.65 -3.24 115.31 119.82 2jua h LEU 57 Ca 0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2jua h LEU 57 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2jua h LEU 57 CO 0.00 0.66 0.21 0.00 -0.62 0.00 0.00 178.44 178.68 2jua n GLN 58 N -4.70 0.00 -0.08 1.25 1.13 -1.23 -0.05 117.38 113.70 2jua n GLN 58 Ca -0.04 0.15 -0.15 0.00 -1.94 0.00 0.00 57.00 55.02 2jua n GLN 58 Cb 0.15 -1.71 -0.11 0.00 0.11 0.00 0.00 30.24 28.68 2jua n GLN 58 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2jua h GLU 59 N 0.00 0.00 0.00 -1.09 4.81 -1.58 -3.34 114.58 113.38 2jua h GLU 59 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2jua h GLU 59 Cb 0.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jua h GLU 59 CO 0.00 0.89 -0.37 0.00 -0.73 0.00 0.00 179.01 178.80 2jua h MET 60 N -1.00 0.00 -1.62 1.92 -0.00 -0.55 -3.12 114.93 110.56 2jua h MET 60 Ca -0.10 0.00 0.47 0.00 -0.00 0.00 0.00 59.70 60.07 2jua h MET 60 Cb 1.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.52 2jua h MET 60 CO -0.06 0.37 1.16 0.00 -0.00 0.00 0.00 176.91 178.37 2jua h MET 61 N 0.00 0.01 -0.13 -0.10 -0.00 -1.31 1.78 114.93 115.19 2jua h MET 61 Ca -0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 2jua h MET 61 Cb 1.08 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.68 2jua h MET 61 CO 0.05 0.01 -0.19 0.87 -0.00 0.00 0.00 176.91 177.64 2jua h LYS 62 N 0.01 0.36 0.00 -0.10 1.57 -1.73 -1.20 116.57 115.49 2jua h LYS 62 Ca 0.79 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 59.31 2jua h LYS 62 Cb 3.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 35.41 2jua h LYS 62 CO -0.04 0.79 -0.19 0.93 -0.57 0.00 0.00 179.45 180.37 2jua h GLU 63 N -0.05 0.00 0.40 3.15 5.08 0.22 -2.34 114.58 121.04 2jua h GLU 63 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2jua h GLU 63 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jua h GLU 63 CO 0.04 0.19 -0.19 0.35 -1.00 0.00 0.00 179.01 178.41 2jua h PHE 64 N 0.00 -0.49 0.00 4.33 3.04 0.52 -2.86 116.94 121.48 2jua h PHE 64 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2jua h PHE 64 Cb 0.63 0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.31 2jua h PHE 64 CO 0.00 -0.31 0.00 0.94 -2.02 0.00 0.00 178.31 176.92 2jua n GLN 65 N -4.64 0.08 0.04 1.11 -0.06 -0.48 -0.75 117.38 112.68 2jua n GLN 65 Ca -0.07 0.16 -0.07 0.00 -2.00 0.00 0.00 57.00 55.02 2jua n GLN 65 Cb 0.21 -1.50 -0.12 0.00 -4.06 0.00 0.00 30.24 24.77 2jua n GLN 65 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2jua h GLN 66 N 0.00 0.00 0.05 3.69 1.08 -1.19 -3.19 115.11 115.55 2jua h GLN 66 Ca 0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 2jua h GLN 66 Cb 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2jua h GLN 66 CO 0.00 0.77 -1.37 0.28 -0.95 0.00 0.00 178.83 177.56 2jua h VAL 67 N 0.00 0.94 -0.90 -0.54 2.07 -0.84 -2.95 116.25 114.03 2jua h VAL 67 Ca -0.11 -2.28 0.23 0.00 0.82 0.00 0.00 66.70 65.36 2jua h VAL 67 Cb 1.82 2.48 -0.13 0.00 -1.52 0.00 0.00 31.29 33.94 2jua h VAL 67 CO 0.11 0.55 0.36 0.25 0.02 0.00 0.00 177.57 178.85 2jua h LEU 68 N -0.61 0.24 0.00 2.57 7.12 -1.56 0.48 115.31 123.56 2jua h LEU 68 Ca -0.33 0.17 -0.06 0.00 0.13 0.00 0.00 57.88 57.79 2jua h LEU 68 Cb 1.55 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.84 2jua h LEU 68 CO -0.07 -0.06 -0.55 0.44 -0.13 0.00 0.00 178.44 178.07 2jua h ASP 69 N 0.33 0.00 0.03 1.25 5.19 -1.70 -2.96 116.42 118.56 2jua h ASP 69 Ca 0.57 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.98 2jua h ASP 69 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2jua h ASP 69 CO -0.57 0.23 -0.01 -0.08 -3.12 0.00 0.00 179.24 175.69 2jua h GLU 70 N 0.00 -0.04 -0.52 3.56 4.57 0.04 -3.21 114.58 118.99 2jua h GLU 70 Ca -0.02 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 2jua h GLU 70 Cb 1.20 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 2jua h GLU 70 CO 0.03 0.59 -0.15 0.82 -1.18 0.00 0.00 179.01 179.11 2jua h ILE 71 N -0.70 1.27 -0.98 2.32 2.04 -1.07 -2.71 117.51 117.68 2jua h ILE 71 Ca -0.00 -1.31 0.30 0.00 1.00 0.00 0.00 64.86 64.85 2jua h ILE 71 Cb 0.64 1.03 -0.15 0.00 -0.74 0.00 0.00 36.82 37.60 2jua h ILE 71 CO 0.01 0.46 0.50 0.50 0.00 0.00 0.00 178.15 179.62 2jua h LYS 72 N 0.88 0.30 -0.63 2.37 3.64 -1.58 1.32 116.57 122.87 2jua h LYS 72 Ca 0.13 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2jua h LYS 72 Cb 0.72 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2jua h LYS 72 CO 0.06 0.20 0.10 0.37 -2.27 0.00 0.00 179.45 177.90 2jua h GLN 73 N 0.31 1.04 -0.71 1.90 4.15 -1.48 -2.04 115.11 118.28 2jua h GLN 73 Ca 0.70 -0.27 0.20 0.00 0.77 0.00 0.00 58.65 60.05 2jua h GLN 73 Cb 1.55 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 29.09 2jua h GLN 73 CO -0.61 0.96 0.56 1.96 -1.93 0.00 0.00 178.83 179.76 2jua h GLN 74 N 0.97 0.00 -0.23 1.69 1.08 0.18 0.20 115.11 119.01 2jua h GLN 74 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2jua h GLN 74 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2jua h GLN 74 CO 0.01 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.17 2jua n LEU 75 N -4.12 0.23 -0.32 1.46 7.99 -0.77 -3.98 117.00 117.50 2jua n LEU 75 Ca 0.14 -0.11 0.10 0.00 -0.01 0.00 0.00 56.01 56.13 2jua n LEU 75 Cb 0.82 -0.11 0.23 0.00 -0.11 0.00 0.00 43.42 44.25 2jua n LEU 75 CO 0.35 0.06 0.79 -0.61 -1.51 0.00 0.00 177.39 176.46 2jua h GLN 76 N 0.43 0.04 0.00 3.23 4.15 -0.79 -3.41 115.11 118.76 2jua h GLN 76 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2jua h GLN 76 Cb 0.11 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2jua h GLN 76 CO 0.00 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.33 2jua n GLY 77 N -1.50 -0.58 2.03 2.39 0.00 -1.26 -5.08 105.19 101.20 2jua n GLY 77 Ca 0.19 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.23 3.57 -0.02 0.00 -1.26 -5.00 105.19 101.25 2jua n GLY 78 Ca 0.00 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 2jua n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jua s ASP 79 N -2.34 5.56 0.00 1.61 1.47 -1.26 -4.69 116.67 117.01 2jua s ASP 79 Ca 0.00 -1.42 0.24 0.00 1.18 0.00 0.00 52.55 52.54 2jua s ASP 79 Cb 0.00 -2.58 1.05 0.00 -0.34 0.00 0.00 42.92 41.06 2jua s ASP 79 CO 0.00 -2.45 1.77 0.59 0.68 0.00 0.00 175.17 175.76 2jua n ASN 80 N 12.53 0.00 0.08 2.11 4.13 -1.26 -2.67 115.26 130.18 2jua n ASN 80 Ca 0.42 0.40 -0.21 0.00 1.68 0.00 0.00 54.58 56.88 2jua n ASN 80 Cb 0.47 -0.46 -0.12 0.00 -1.54 0.00 0.00 39.78 38.13 2jua n ASN 80 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2jua h SER 81 N 0.00 0.84 -0.93 6.41 0.87 -1.86 -3.07 113.55 115.82 2jua h SER 81 Ca 0.00 -0.75 0.08 0.00 -1.23 0.00 0.00 61.79 59.89 2jua h SER 81 Cb 0.38 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.01 2jua h SER 81 CO 0.00 1.56 0.60 -0.07 -0.53 0.00 0.00 176.83 178.39 2jua h LEU 82 N 0.29 0.89 -1.84 2.23 4.07 -1.74 0.35 115.31 119.56 2jua h LEU 82 Ca -0.17 0.02 0.37 0.00 0.08 0.00 0.00 57.88 58.18 2jua h LEU 82 Cb 1.86 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 43.36 2jua h LEU 82 CO 0.23 0.54 0.91 -0.74 -1.08 0.00 0.00 178.44 178.30 2jua h HIS 83 N 0.99 0.16 0.00 1.13 2.76 -1.58 3.80 115.15 122.42 2jua h HIS 83 Ca 0.42 0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 58.29 2jua h HIS 83 Cb 0.31 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 2jua h HIS 83 CO -0.00 -0.01 -1.92 0.09 -1.30 0.00 0.00 177.93 174.79 2jua n ASN 84 N -4.27 0.57 -0.10 3.26 5.03 0.11 -3.81 115.26 116.05 2jua n ASN 84 Ca 0.29 0.27 -0.20 0.00 0.87 0.00 0.00 54.58 55.81 2jua n ASN 84 Cb 1.32 0.34 -0.11 0.00 -1.02 0.00 0.00 39.78 40.32 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2jua h VAL 85 N 0.00 0.89 -0.23 2.41 2.07 0.18 -3.30 116.25 118.27 2jua h VAL 85 Ca -0.36 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.14 2jua h VAL 85 Cb 2.04 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.91 2jua h VAL 85 CO 0.06 0.30 0.41 -0.74 0.02 0.00 0.00 177.57 177.62 2jua h HIS 86 N -1.00 0.00 0.00 1.57 -0.00 0.66 1.01 115.15 117.39 2jua h HIS 86 Ca -0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.02 2jua h HIS 86 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 2jua h HIS 86 CO 0.08 0.00 -0.23 1.49 -0.00 0.00 0.00 177.93 179.27 2jua h GLU 87 N 0.00 0.00 0.30 5.26 4.81 -1.65 -3.32 114.58 119.98 2jua h GLU 87 Ca 0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2jua h GLU 87 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2jua h GLU 87 CO -0.00 0.23 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.46 2jua h ASN 88 N 0.00 -0.35 -0.97 1.04 2.35 0.99 -3.17 115.58 115.47 2jua h ASN 88 Ca -0.00 -0.19 0.19 0.00 -0.55 0.00 0.00 56.30 55.74 2jua h ASN 88 Cb 1.14 0.09 -0.18 0.00 0.05 0.00 0.00 38.32 39.42 2jua h ASN 88 CO 0.03 0.07 -0.27 -0.38 -1.65 0.00 0.00 177.43 175.23 2jua n ILE 89 N -5.10 -0.43 -0.16 2.81 2.08 -1.19 0.58 119.36 117.96 2jua n ILE 89 Ca -0.09 2.24 -0.07 0.00 0.56 0.00 0.00 62.75 65.39 2jua n ILE 89 Cb 0.27 -3.08 -0.06 0.00 -0.75 0.00 0.00 39.64 36.02 2jua n ILE 89 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2jua h LYS 90 N 0.00 -0.12 -0.07 0.38 3.64 -1.67 1.25 116.57 119.99 2jua h LYS 90 Ca 0.45 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 2jua h LYS 90 Cb 0.69 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2jua h LYS 90 CO -1.00 -0.08 -0.09 0.93 -2.27 0.00 0.00 179.45 176.95 2jua h GLU 91 N -0.12 0.18 0.28 1.90 5.08 -1.02 -2.78 114.58 118.10 2jua h GLU 91 Ca 0.07 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jua h GLU 91 Cb 0.30 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2jua h GLU 91 CO -0.45 0.65 -0.34 0.82 -1.00 0.00 0.00 179.01 178.69 2jua h ILE 92 N -0.28 0.00 -0.45 3.13 1.08 0.62 -0.07 117.51 121.54 2jua h ILE 92 Ca 0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.54 2jua h ILE 92 Cb 0.63 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.29 2jua h ILE 92 CO 0.02 0.00 -0.50 0.15 -0.69 0.00 0.00 178.15 177.13 2jua h PHE 93 N -0.64 -1.50 0.00 1.37 3.57 0.15 1.76 116.94 121.65 2jua h PHE 93 Ca -0.03 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jua h PHE 93 Cb 0.57 0.72 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2jua h PHE 93 CO -0.23 -0.46 0.00 1.58 -2.23 0.00 0.00 178.31 176.96 2jua n HIS 94 N -5.39 0.00 0.09 0.41 -0.00 -1.05 -1.68 115.22 107.60 2jua n HIS 94 Ca -0.02 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.94 2jua n HIS 94 Cb 0.35 -0.27 -0.15 0.00 -0.12 0.00 0.00 29.99 29.80 2jua n HIS 94 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jua h HIS 95 N 0.00 0.75 0.32 1.57 2.76 0.47 -3.28 115.15 117.74 2jua h HIS 95 Ca 0.00 -0.54 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 2jua h HIS 95 Cb 0.03 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2jua h HIS 95 CO 0.00 1.42 -0.42 1.25 -1.30 0.00 0.00 177.93 178.87 2jua h LEU 96 N -0.13 -1.19 0.00 0.26 6.46 -1.04 0.59 115.31 120.27 2jua h LEU 96 Ca -0.19 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2jua h LEU 96 Cb 1.86 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 42.20 2jua h LEU 96 CO 0.21 -0.55 0.24 1.21 -0.62 0.00 0.00 178.44 178.93 2jua n GLU 97 N -5.50 0.00 0.03 1.25 2.13 -1.24 0.14 120.64 117.45 2jua n GLU 97 Ca -0.10 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 57.82 2jua n GLU 97 Cb 0.40 -1.74 -0.14 0.00 0.27 0.00 0.00 31.44 30.23 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 0.13 0.00 5.31 4.81 0.14 0.75 114.58 125.72 2jua h GLU 98 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2jua h GLU 98 Cb 0.48 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2jua h GLU 98 CO 0.00 0.89 0.00 1.28 -0.73 0.00 0.00 179.01 180.45 2jua n LEU 99 N -3.30 0.00 0.00 1.64 4.77 0.37 -3.58 117.00 116.90 2jua n LEU 99 Ca -0.16 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2jua n LEU 99 Cb 1.03 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2jua n LEU 99 CO 0.47 -0.09 -0.43 1.33 -1.33 0.00 0.00 177.39 177.34 2jua n VAL 100 N -1.36 0.00 0.22 4.08 0.24 -1.14 -4.64 118.33 115.73 2jua n VAL 100 Ca 0.09 0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.56 2jua n VAL 100 Cb 0.21 -0.71 0.78 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.00 0.00 6.34 -0.00 0.48 -3.49 115.15 118.48 2jua h HIS 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jua h HIS 101 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 2jua h HIS 101 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.93 178.47