#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 4.01 -1.26 -5.00 117.16 116.03 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 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 0.46 1.19 0.29 2.72 0.00 -1.26 -5.01 105.19 103.59 2jua n GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jua n GLY 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jua n LYS 4 N 0.00 -0.16 -0.34 1.61 5.02 -1.26 1.00 118.16 124.03 2jua n LYS 4 Ca 0.00 1.18 -0.04 0.00 -2.02 0.00 0.00 58.31 57.43 2jua n LYS 4 Cb 0.00 -1.75 -0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2jua n LYS 4 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jua n LEU 5 N -5.15 -0.67 -0.32 -0.35 7.99 -1.26 0.39 117.00 117.63 2jua n LEU 5 Ca 0.09 1.49 0.32 0.00 -0.01 0.00 0.00 56.01 57.89 2jua n LEU 5 Cb 0.32 -0.29 0.58 0.00 -0.11 0.00 0.00 43.42 43.92 2jua n LEU 5 CO -0.10 -1.30 1.05 -3.20 -1.51 0.00 0.00 177.39 172.33 2jua n ASN 6 N -5.19 0.33 -0.12 -1.43 2.85 0.28 0.46 115.26 112.44 2jua n ASN 6 Ca 0.06 1.61 -0.04 0.00 -0.11 0.00 0.00 54.58 56.10 2jua n ASN 6 Cb 0.30 -0.79 0.16 0.00 1.24 0.00 0.00 39.78 40.70 2jua n ASN 6 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2jua h ASP 7 N 0.00 0.78 0.00 1.20 1.82 0.73 0.71 116.42 121.65 2jua h ASP 7 Ca 0.83 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 57.28 2jua h ASP 7 Cb 2.24 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 42.04 2jua h ASP 7 CO -0.74 0.82 -0.18 -0.07 -1.61 0.00 0.00 179.24 177.46 2jua h LEU 8 N 0.77 0.00 0.09 2.28 -0.00 1.04 -2.33 115.31 117.16 2jua h LEU 8 Ca 0.16 -0.43 0.02 0.00 -0.00 0.00 0.00 57.88 57.63 2jua h LEU 8 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.02 2jua h LEU 8 CO 0.01 0.81 -0.29 0.25 -0.00 0.00 0.00 178.44 179.23 2jua h LEU 9 N -1.00 -0.82 0.77 1.67 6.46 0.28 0.47 115.31 123.14 2jua h LEU 9 Ca -0.03 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2jua h LEU 9 Cb 0.56 0.32 0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2jua h LEU 9 CO -0.02 -0.37 -0.37 -0.08 -0.62 0.00 0.00 178.44 176.98 2jua h GLU 10 N -0.48 -0.99 -0.24 1.25 4.81 0.30 0.24 114.58 119.46 2jua h GLU 10 Ca 0.04 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2jua h GLU 10 Cb 0.53 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2jua h GLU 10 CO -0.19 -0.66 0.28 -0.44 -0.73 0.00 0.00 179.01 177.28 2jua h ASP 11 N -1.03 0.00 0.00 1.04 3.32 -1.27 -1.67 116.42 116.81 2jua h ASP 11 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2jua h ASP 11 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2jua h ASP 11 CO 0.17 0.00 -0.00 0.25 -1.72 0.00 0.00 179.24 177.94 2jua h LEU 12 N 0.00 0.00 -0.25 1.55 5.85 0.86 -3.07 115.31 120.24 2jua h LEU 12 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jua h LEU 12 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2jua h LEU 12 CO -0.00 0.06 0.44 0.00 -0.34 0.00 0.00 178.44 178.60 2jua n GLN 13 N -2.33 0.03 -0.03 1.25 10.64 0.75 -0.65 117.38 127.03 2jua n GLN 13 Ca -0.00 0.36 -0.00 0.00 -1.83 0.00 0.00 57.00 55.53 2jua n GLN 13 Cb 0.00 -2.04 -0.00 0.00 -0.86 0.00 0.00 30.24 27.34 2jua n GLN 13 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2jua h GLU 14 N 0.00 -0.00 -1.10 2.61 4.39 -1.34 -2.10 114.58 117.04 2jua h GLU 14 Ca 0.00 0.00 0.32 0.00 0.34 0.00 0.00 59.36 60.02 2jua h GLU 14 Cb 0.89 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.49 2jua h GLU 14 CO 0.00 -0.00 0.82 -0.39 -1.16 0.00 0.00 179.01 178.27 2jua h VAL 15 N -0.72 0.41 -0.01 3.13 -1.51 -0.78 1.81 116.25 118.58 2jua h VAL 15 Ca -0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.31 2jua h VAL 15 Cb 0.00 0.43 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 2jua h VAL 15 CO 0.00 0.00 -0.75 0.25 -1.23 0.00 0.00 177.57 175.84 2jua h LEU 16 N 0.00 0.09 0.06 4.19 5.85 -1.43 -2.49 115.31 121.58 2jua h LEU 16 Ca 0.52 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.18 2jua h LEU 16 Cb 2.15 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.16 2jua h LEU 16 CO -0.01 0.81 -0.03 0.50 -0.34 0.00 0.00 178.44 179.37 2jua h LYS 17 N 0.04 -0.08 0.00 1.25 1.63 0.35 -2.81 116.57 116.95 2jua h LYS 17 Ca -0.02 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2jua h LYS 17 Cb 1.33 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2jua h LYS 17 CO 0.10 0.51 0.00 0.72 -3.45 0.00 0.00 179.45 177.33 2jua n HIS 18 N -4.78 0.00 -0.01 1.91 8.25 -0.30 -1.55 115.22 118.74 2jua n HIS 18 Ca -0.08 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.45 2jua n HIS 18 Cb 0.31 -0.13 -0.14 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.13 0.43 -0.02 1.59 0.31 -0.94 -3.72 118.33 114.86 2jua n VAL 19 Ca 0.07 -0.59 -0.12 0.00 -0.01 0.00 0.00 64.34 63.69 2jua n VAL 19 Cb 0.06 -0.19 0.01 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.75 0.51 4.52 2.35 -1.02 -0.88 115.58 121.81 2jua h ASN 20 Ca -0.11 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 2jua h ASN 20 Cb 1.27 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2jua h ASN 20 CO 0.01 1.18 -0.21 0.00 -1.65 0.00 0.00 177.43 176.76 2jua n GLN 21 N -3.95 0.38 -0.10 0.81 6.02 -1.24 -3.54 117.38 115.77 2jua n GLN 21 Ca -0.04 -0.16 0.07 0.00 -0.01 0.00 0.00 57.00 56.86 2jua n GLN 21 Cb 0.65 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.53 2jua n GLN 21 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jua n HIS 22 N -1.17 0.12 -2.65 1.08 8.25 -1.11 -5.03 115.22 114.71 2jua n HIS 22 Ca 0.10 -0.83 -0.35 0.00 -0.26 0.00 0.00 57.72 56.38 2jua n HIS 22 Cb 0.31 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.30 3.27 0.00 4.41 -0.11 -0.35 -4.49 118.94 119.37 2jua s TRP 23 Ca 0.24 1.64 0.00 0.00 1.22 0.00 0.00 56.10 59.20 2jua s TRP 23 Cb 0.21 -3.01 0.00 0.00 -1.50 0.00 0.00 33.47 29.17 2jua s TRP 23 CO 0.03 -0.42 0.00 0.94 -4.62 0.00 0.00 176.95 172.88 2jua n GLN 24 N -0.36 0.00 0.00 5.86 0.00 -1.26 -4.89 117.38 116.73 2jua n GLN 24 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.06 2jua n GLN 24 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 2jua n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jua n GLY 25 N 0.00 0.60 3.09 1.69 0.00 -1.26 -4.40 105.19 104.91 2jua n GLY 25 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2jua n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jua s GLY 26 N 0.00 -1.19 0.00 -0.02 0.00 -1.26 -4.98 107.32 99.86 2jua s GLY 26 Ca 0.00 1.37 0.06 0.00 0.00 0.00 0.00 44.72 46.16 2jua s GLY 26 CO 0.00 3.96 1.04 -0.18 0.00 0.00 0.00 173.10 177.92 2jua n GLN 27 N 4.84 0.10 0.05 2.90 -0.06 -1.26 -1.16 117.38 122.79 2jua n GLN 27 Ca 0.08 0.21 0.13 0.00 -2.00 0.00 0.00 57.00 55.42 2jua n GLN 27 Cb 0.58 -1.50 0.52 0.00 -4.06 0.00 0.00 30.24 25.77 2jua n GLN 27 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 2jua n LYS 28 N -1.26 0.11 0.02 3.69 2.85 -1.26 -3.10 118.16 119.21 2jua n LYS 28 Ca 0.03 0.11 -0.06 0.00 -1.05 0.00 0.00 58.31 57.33 2jua n LYS 28 Cb 0.05 -1.63 -0.12 0.00 -0.65 0.00 0.00 35.03 32.68 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 0.00 -0.79 -5.58 2.35 -1.53 -3.28 115.58 106.75 2jua h ASN 29 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 2jua h ASN 29 Cb 0.58 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.86 2jua h ASN 29 CO 0.00 0.92 0.37 -0.03 -1.65 0.00 0.00 177.43 177.05 2jua h MET 30 N 0.00 0.53 -0.26 0.81 4.05 -1.69 1.03 114.93 119.41 2jua h MET 30 Ca -0.16 -0.03 -0.19 0.00 -0.28 0.00 0.00 59.70 59.04 2jua h MET 30 Cb 1.85 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.52 2jua h MET 30 CO 0.09 0.35 -0.57 -0.91 0.23 0.00 0.00 176.91 176.11 2jua h ASN 31 N 0.55 0.91 0.24 1.39 -0.26 -1.73 0.16 115.58 116.83 2jua h ASN 31 Ca 0.43 -0.50 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 2jua h ASN 31 Cb 0.60 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2jua h ASN 31 CO -0.36 1.29 -0.11 0.11 -1.06 0.00 0.00 177.43 177.29 2jua h LYS 32 N 0.62 -0.30 -0.33 0.81 1.57 -1.16 -2.99 116.57 114.79 2jua h LYS 32 Ca 0.01 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2jua h LYS 32 Cb 1.17 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2jua h LYS 32 CO 0.12 0.07 -0.02 -0.39 -0.57 0.00 0.00 179.45 178.66 2jua h VAL 33 N -0.81 1.20 -0.99 0.50 -1.51 0.95 -2.37 116.25 113.22 2jua h VAL 33 Ca -0.03 -0.82 0.13 0.00 -1.23 0.00 0.00 66.70 64.75 2jua h VAL 33 Cb 0.51 0.98 -0.09 0.00 -2.13 0.00 0.00 31.29 30.56 2jua h VAL 33 CO 0.05 0.28 0.62 -0.78 -1.23 0.00 0.00 177.57 176.51 2jua h ASP 34 N 0.49 0.89 0.89 4.19 1.82 -0.67 0.39 116.42 124.42 2jua h ASP 34 Ca 0.10 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.74 2jua h ASP 34 Cb 0.36 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2jua h ASP 34 CO 0.01 0.46 -0.28 -0.74 -1.61 0.00 0.00 179.24 177.08 2jua h HIS 35 N 0.95 0.00 0.05 0.28 2.76 -1.27 -0.67 115.15 117.25 2jua h HIS 35 Ca 0.50 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.67 2jua h HIS 35 Cb 0.53 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2jua h HIS 35 CO -0.01 0.28 -0.02 0.45 -1.30 0.00 0.00 177.93 177.33 2jua h HIS 36 N 0.00 -0.06 -0.01 5.26 3.86 -0.13 -3.13 115.15 120.95 2jua h HIS 36 Ca -0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2jua h HIS 36 Cb 0.80 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.29 2jua h HIS 36 CO 0.00 0.53 -0.00 -0.07 0.86 0.00 0.00 177.93 179.25 2jua h LEU 37 N -0.72 0.01 -1.93 2.43 3.38 -1.15 -2.66 115.31 114.68 2jua h LEU 37 Ca -0.01 -0.42 0.51 0.00 0.09 0.00 0.00 57.88 58.05 2jua h LEU 37 Cb 0.62 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2jua h LEU 37 CO 0.01 0.43 1.24 1.56 0.09 0.00 0.00 178.44 181.77 2jua h GLN 38 N -0.41 0.01 0.00 1.13 4.20 -1.23 3.12 115.11 121.94 2jua h GLN 38 Ca 0.00 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2jua h GLN 38 Cb 0.43 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2jua h GLN 38 CO 0.00 0.01 -0.96 -0.97 -0.67 0.00 0.00 178.83 176.24 2jua h ASN 39 N 0.01 0.01 0.00 1.46 -0.00 -1.41 -3.18 115.58 112.46 2jua h ASN 39 Ca 0.85 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 57.14 2jua h ASN 39 Cb 3.32 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 41.64 2jua h ASN 39 CO -0.06 0.96 -0.02 0.58 -0.00 0.00 0.00 177.43 178.89 2jua h VAL 40 N 0.00 0.00 -1.66 2.57 2.07 0.57 -2.76 116.25 117.04 2jua h VAL 40 Ca -0.01 -0.50 0.50 0.00 0.82 0.00 0.00 66.70 67.51 2jua h VAL 40 Cb 1.69 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 2jua h VAL 40 CO 0.12 0.00 1.17 -0.38 0.02 0.00 0.00 177.57 178.50 2jua n ILE 41 N -3.41 -0.07 0.06 4.57 5.41 -0.08 0.37 119.36 126.22 2jua n ILE 41 Ca -0.00 1.45 -0.16 0.00 1.00 0.00 0.00 62.75 65.04 2jua n ILE 41 Cb 0.01 -2.40 -0.07 0.00 -0.71 0.00 0.00 39.64 36.47 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 0.50 0.00 0.38 4.81 -1.61 -2.65 114.58 116.01 2jua h GLU 42 Ca 0.85 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2jua h GLU 42 Cb 3.23 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 32.77 2jua h GLU 42 CO -0.13 1.19 -0.04 0.22 -0.73 0.00 0.00 179.01 179.52 2jua h ASP 43 N 0.28 0.00 0.01 1.04 3.58 0.69 -2.59 116.42 119.42 2jua h ASP 43 Ca -0.10 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2jua h ASP 43 Cb 1.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.69 2jua h ASP 43 CO 0.18 0.04 -0.00 0.40 -2.88 0.00 0.00 179.24 176.97 2jua h ILE 44 N 0.00 1.25 -0.59 2.25 2.04 -0.99 -2.91 117.51 118.56 2jua h ILE 44 Ca -0.00 -1.91 0.17 0.00 1.00 0.00 0.00 64.86 64.12 2jua h ILE 44 Cb 0.51 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 2jua h ILE 44 CO 0.00 0.42 0.44 -0.74 0.00 0.00 0.00 178.15 178.27 2jua h HIS 45 N -0.99 0.00 -0.02 1.37 2.76 -1.41 1.29 115.15 118.15 2jua h HIS 45 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jua h HIS 45 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2jua h HIS 45 CO 0.19 0.00 0.00 -3.47 -1.30 0.00 0.00 177.93 173.35 2jua n ASP 46 N -4.26 0.89 0.05 3.26 -0.08 -0.98 -3.68 116.55 111.75 2jua n ASP 46 Ca 0.11 -1.33 -0.15 0.00 -1.51 0.00 0.00 54.79 51.91 2jua n ASP 46 Cb 0.68 -0.01 -0.14 0.00 2.34 0.00 0.00 41.12 43.99 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jua h PHE 47 N 1.37 0.36 -0.02 -0.67 3.04 0.19 0.40 116.94 121.61 2jua h PHE 47 Ca 0.00 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.68 2jua h PHE 47 Cb 0.29 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 2jua h PHE 47 CO 0.01 1.31 -0.02 0.00 -2.02 0.00 0.00 178.31 177.58 2jua h MET 48 N 0.05 0.04 0.00 1.11 -0.00 -1.63 -3.28 114.93 111.23 2jua h MET 48 Ca -0.22 -0.02 -0.19 0.00 -0.00 0.00 0.00 59.70 59.26 2jua h MET 48 Cb 1.99 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.56 2jua h MET 48 CO 0.15 0.54 -1.18 -0.56 -0.00 0.00 0.00 176.91 175.87 2jua h GLN 49 N -0.45 0.00 0.00 -0.10 -0.00 -1.71 -3.30 115.11 109.56 2jua h GLN 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jua h GLN 49 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 2jua h GLN 49 CO 0.00 0.56 0.27 0.41 -0.00 0.00 0.00 178.83 180.08 2jua n GLY 50 N 1.38 -0.12 2.14 0.06 0.00 0.14 -4.67 105.19 104.13 2jua n GLY 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.04 2.27 0.00 -0.02 0.00 -1.24 -4.07 105.19 101.09 2jua n GLY 51 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 2.63 -0.02 0.00 -1.26 -5.01 105.19 101.53 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 5.16 0.00 1.61 7.64 -1.26 -4.70 113.62 122.08 2jua n SER 53 Ca 0.00 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.09 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 3.89 -0.15 0.08 0.23 0.00 -1.26 0.20 105.19 108.19 2jua n GLY 54 Ca 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 1.87 -0.02 0.00 -2.01 -3.31 103.07 99.59 2jua h GLY 55 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2jua h GLY 55 CO 0.00 0.00 -0.65 1.70 0.00 0.00 0.00 176.54 177.59 2jua h LYS 56 N 0.00 0.13 0.83 4.80 3.64 0.19 -3.28 116.57 122.88 2jua h LYS 56 Ca -0.19 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 2jua h LYS 56 Cb 1.83 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2jua h LYS 56 CO 0.08 0.73 -0.40 1.25 -2.27 0.00 0.00 179.45 178.85 2jua h LEU 57 N 0.10 -0.94 0.00 5.20 6.46 -1.65 -1.22 115.31 123.26 2jua h LEU 57 Ca -0.01 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2jua h LEU 57 Cb 1.16 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 2jua h LEU 57 CO 0.09 -0.60 0.33 0.00 -0.62 0.00 0.00 178.44 177.64 2jua n GLN 58 N -5.38 0.00 -0.05 1.25 1.13 -1.24 -0.48 117.38 112.61 2jua n GLN 58 Ca -0.14 0.14 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 2jua n GLN 58 Cb 0.44 -1.83 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 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 -1.29 -3.29 114.58 113.72 2jua h GLU 59 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jua h GLU 59 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2jua h GLU 59 CO 0.00 0.09 -0.07 0.00 -0.73 0.00 0.00 179.01 178.30 2jua h MET 60 N -1.00 0.00 -0.47 1.92 -0.00 -0.76 -2.90 114.93 111.72 2jua h MET 60 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.78 2jua h MET 60 Cb 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 31.60 2jua h MET 60 CO -0.00 0.07 -0.42 1.98 -0.00 0.00 0.00 176.91 178.54 2jua h MET 61 N 0.00 -0.27 -0.75 -0.10 1.85 -1.30 1.68 114.93 116.04 2jua h MET 61 Ca -0.00 0.02 0.17 0.00 -0.61 0.00 0.00 59.70 59.28 2jua h MET 61 Cb 0.30 0.06 -0.11 0.00 0.43 0.00 0.00 31.60 32.28 2jua h MET 61 CO 0.01 -0.18 0.18 0.87 -0.40 0.00 0.00 176.91 177.39 2jua h LYS 62 N -0.28 0.25 -0.03 0.39 1.57 -1.62 0.99 116.57 117.85 2jua h LYS 62 Ca 0.16 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2jua h LYS 62 Cb 0.57 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2jua h LYS 62 CO -0.61 0.17 -0.49 1.49 -0.57 0.00 0.00 179.45 179.43 2jua h GLU 63 N 0.26 0.07 0.52 3.15 4.57 -0.27 -1.67 114.58 121.21 2jua h GLU 63 Ca 0.43 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.54 2jua h GLU 63 Cb 0.75 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.34 2jua h GLU 63 CO -0.53 0.55 -0.25 0.35 -1.18 0.00 0.00 179.01 177.95 2jua h PHE 64 N 0.06 -0.64 0.00 0.92 3.04 0.94 -2.65 116.94 118.60 2jua h PHE 64 Ca -0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2jua h PHE 64 Cb 0.89 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.62 2jua h PHE 64 CO 0.01 -0.40 0.00 0.94 -2.02 0.00 0.00 178.31 176.83 2jua n GLN 65 N -4.93 0.01 0.03 1.11 -0.06 0.19 -0.72 117.38 113.02 2jua n GLN 65 Ca -0.09 0.28 -0.09 0.00 -2.00 0.00 0.00 57.00 55.10 2jua n GLN 65 Cb 0.27 -1.50 -0.13 0.00 -4.06 0.00 0.00 30.24 24.82 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 0.05 0.08 3.69 1.08 -0.95 -3.28 115.11 115.78 2jua h GLN 66 Ca 0.00 -0.09 -0.24 0.00 -1.45 0.00 0.00 58.65 56.87 2jua h GLN 66 Cb 0.01 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2jua h GLN 66 CO 0.00 0.85 -1.27 0.28 -0.95 0.00 0.00 178.83 177.74 2jua h VAL 67 N 0.01 1.05 -0.90 -0.54 2.07 -0.73 -2.91 116.25 114.31 2jua h VAL 67 Ca -0.15 -2.34 0.24 0.00 0.82 0.00 0.00 66.70 65.28 2jua h VAL 67 Cb 1.90 2.65 -0.15 0.00 -1.52 0.00 0.00 31.29 34.17 2jua h VAL 67 CO 0.12 0.61 0.16 0.25 0.02 0.00 0.00 177.57 178.72 2jua h LEU 68 N -0.52 -0.17 0.00 2.57 7.12 -1.54 0.75 115.31 123.51 2jua h LEU 68 Ca -0.29 0.22 -0.09 0.00 0.13 0.00 0.00 57.88 57.85 2jua h LEU 68 Cb 1.59 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 42.04 2jua h LEU 68 CO -0.01 -0.23 -0.60 -0.78 -0.13 0.00 0.00 178.44 176.69 2jua h ASP 69 N 0.13 0.00 0.19 1.25 1.82 -1.70 -2.93 116.42 115.18 2jua h ASP 69 Ca 0.56 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.19 2jua h ASP 69 Cb 1.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.15 2jua h ASP 69 CO -0.74 0.42 -0.09 -0.08 -1.61 0.00 0.00 179.24 177.14 2jua h GLU 70 N 0.00 -0.25 -0.22 0.28 4.57 0.62 -2.96 114.58 116.62 2jua h GLU 70 Ca -0.03 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2jua h GLU 70 Cb 1.34 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2jua h GLU 70 CO 0.05 0.11 0.02 0.82 -1.18 0.00 0.00 179.01 178.83 2jua h ILE 71 N -0.65 1.24 -1.37 2.32 2.04 -1.13 -2.26 117.51 117.69 2jua h ILE 71 Ca -0.03 -0.80 0.43 0.00 1.00 0.00 0.00 64.86 65.47 2jua h ILE 71 Cb 0.47 1.34 -0.11 0.00 -0.74 0.00 0.00 36.82 37.78 2jua h ILE 71 CO 0.04 0.25 0.91 0.50 0.00 0.00 0.00 178.15 179.85 2jua h LYS 72 N 0.15 0.09 -0.16 2.37 3.64 -1.55 2.58 116.57 123.70 2jua h LYS 72 Ca 0.06 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 2jua h LYS 72 Cb 0.35 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2jua h LYS 72 CO 0.01 0.06 -0.52 1.96 -2.27 0.00 0.00 179.45 178.69 2jua h GLN 73 N 0.10 0.44 -0.12 1.90 1.08 -1.23 -2.63 115.11 114.65 2jua h GLN 73 Ca 0.79 -0.27 0.04 0.00 -1.45 0.00 0.00 58.65 57.76 2jua h GLN 73 Cb 2.61 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 30.06 2jua h GLN 73 CO -0.31 0.86 0.12 1.96 -0.95 0.00 0.00 178.83 180.50 2jua h GLN 74 N 0.35 0.00 -0.48 1.46 1.08 0.46 -1.44 115.11 116.53 2jua h GLN 74 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2jua h GLN 74 Cb 1.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2jua h GLN 74 CO 0.09 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.25 2jua n LEU 75 N -4.01 0.36 0.00 1.46 7.99 -0.99 -3.61 117.00 118.20 2jua n LEU 75 Ca 0.00 -0.18 0.02 0.00 -0.01 0.00 0.00 56.01 55.84 2jua n LEU 75 Cb 0.23 -0.14 0.10 0.00 -0.11 0.00 0.00 43.42 43.51 2jua n LEU 75 CO 0.29 0.08 0.55 1.67 -1.51 0.00 0.00 177.39 178.47 2jua n GLN 76 N 0.43 0.02 0.00 3.23 7.27 -0.55 -4.76 117.38 123.02 2jua n GLN 76 Ca 0.00 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.44 2jua n GLN 76 Cb 0.08 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.23 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 -0.99 3.06 0.00 1.69 0.00 -1.24 -5.06 105.19 102.66 2jua n GLY 77 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 2.63 1.88 -0.02 0.00 -1.26 -4.74 105.19 103.68 2jua n GLY 78 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 2jua n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jua n ASP 79 N 0.00 2.77 0.00 1.61 5.75 -1.26 -4.39 116.55 121.03 2jua n ASP 79 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 2jua n ASP 79 Cb 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 2jua n ASP 79 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jua n ASN 80 N 2.02 0.00 0.12 -1.12 3.02 -1.26 0.87 115.26 118.90 2jua n ASN 80 Ca 0.06 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.58 2jua n ASN 80 Cb 0.32 -0.18 -0.15 0.00 -0.61 0.00 0.00 39.78 39.16 2jua n ASN 80 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2jua h SER 81 N 0.00 0.67 -0.86 6.41 0.02 -1.84 -3.25 113.55 114.70 2jua h SER 81 Ca 0.00 -0.79 -0.02 0.00 -0.84 0.00 0.00 61.79 60.14 2jua h SER 81 Cb 0.23 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2jua h SER 81 CO 0.00 1.63 0.45 -0.07 -1.14 0.00 0.00 176.83 177.70 2jua h LEU 82 N 0.12 1.09 -1.15 5.07 4.07 0.25 0.59 115.31 125.34 2jua h LEU 82 Ca -0.25 -0.11 0.16 0.00 0.08 0.00 0.00 57.88 57.76 2jua h LEU 82 Cb 2.11 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 43.54 2jua h LEU 82 CO 0.23 0.89 0.90 -0.74 -1.08 0.00 0.00 178.44 178.64 2jua h HIS 83 N 1.21 0.00 0.00 1.13 2.76 -1.57 3.27 115.15 121.95 2jua h HIS 83 Ca 0.30 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 58.09 2jua h HIS 83 Cb 0.06 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.95 2jua h HIS 83 CO 0.01 0.00 -2.44 0.09 -1.30 0.00 0.00 177.93 174.29 2jua n ASN 84 N -3.15 1.25 -0.03 3.26 5.03 0.10 -4.23 115.26 117.49 2jua n ASN 84 Ca 0.12 -0.09 -0.21 0.00 0.87 0.00 0.00 54.58 55.27 2jua n ASN 84 Cb 1.09 0.12 -0.13 0.00 -1.02 0.00 0.00 39.78 39.84 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 0.95 -0.37 2.41 2.07 0.16 -3.32 116.25 118.16 2jua h VAL 85 Ca -0.57 -2.31 0.11 0.00 0.82 0.00 0.00 66.70 64.75 2jua h VAL 85 Cb 2.03 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 34.32 2jua h VAL 85 CO -0.04 0.60 0.49 -0.74 0.02 0.00 0.00 177.57 177.90 2jua h HIS 86 N -0.50 0.00 0.00 1.57 -0.00 0.53 1.54 115.15 118.29 2jua h HIS 86 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 2jua h HIS 86 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.03 2jua h HIS 86 CO 0.11 0.00 0.00 0.93 -0.00 0.00 0.00 177.93 178.97 2jua h GLU 87 N 0.00 0.00 0.43 5.26 4.39 -1.65 -3.28 114.58 119.73 2jua h GLU 87 Ca 0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2jua h GLU 87 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2jua h GLU 87 CO -0.00 0.00 -0.20 -0.91 -1.16 0.00 0.00 179.01 176.73 2jua h ASN 88 N 0.00 -0.48 -0.82 1.42 4.21 0.21 -3.21 115.58 116.90 2jua h ASN 88 Ca 0.00 0.02 0.10 0.00 1.21 0.00 0.00 56.30 57.62 2jua h ASN 88 Cb 0.58 0.13 -0.11 0.00 -1.12 0.00 0.00 38.32 37.80 2jua h ASN 88 CO 0.00 -0.16 -0.41 -0.38 -1.29 0.00 0.00 177.43 175.19 2jua n ILE 89 N -4.59 -0.50 -0.33 2.81 5.41 -1.23 0.16 119.36 121.08 2jua n ILE 89 Ca -0.07 1.96 -0.04 0.00 1.00 0.00 0.00 62.75 65.60 2jua n ILE 89 Cb 0.23 -2.50 0.01 0.00 -0.71 0.00 0.00 39.64 36.67 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 -0.06 -0.04 0.38 3.11 -1.67 3.77 116.57 122.06 2jua h LYS 90 Ca 0.20 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.90 2jua h LYS 90 Cb 0.41 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.66 2jua h LYS 90 CO -0.79 -0.04 -0.53 1.49 -2.81 0.00 0.00 179.45 176.77 2jua h GLU 91 N -0.06 0.42 0.87 1.90 4.81 0.11 -2.17 114.58 120.46 2jua h GLU 91 Ca 0.28 -0.41 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2jua h GLU 91 Cb 0.56 0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.05 2jua h GLU 91 CO -0.89 1.06 -0.42 0.82 -0.73 0.00 0.00 179.01 178.85 2jua h ILE 92 N -0.06 0.00 -0.83 2.32 1.08 0.34 0.18 117.51 120.54 2jua h ILE 92 Ca -0.06 -0.14 0.15 0.00 -0.39 0.00 0.00 64.86 64.43 2jua h ILE 92 Cb 1.21 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.90 2jua h ILE 92 CO 0.11 0.00 0.54 0.15 -0.69 0.00 0.00 178.15 178.26 2jua h PHE 93 N -1.32 0.62 -0.01 1.37 3.57 0.69 0.77 116.94 122.65 2jua h PHE 93 Ca -0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2jua h PHE 93 Cb 0.90 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2jua h PHE 93 CO 0.00 0.22 -0.07 1.58 -2.23 0.00 0.00 178.31 177.82 2jua n HIS 94 N -4.51 0.00 0.09 0.41 -0.00 -0.82 -3.38 115.22 107.01 2jua n HIS 94 Ca 0.16 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.38 2jua n HIS 94 Cb 0.53 -0.08 -0.02 0.00 -0.12 0.00 0.00 29.99 30.30 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 1.04 0.00 0.17 1.57 3.86 0.37 -3.32 115.15 118.84 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 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2jua h HIS 95 CO 0.00 0.40 -0.08 1.25 0.86 0.00 0.00 177.93 180.36 2jua h LEU 96 N 0.00 -0.20 0.00 2.43 6.46 -1.51 -2.83 115.31 119.66 2jua h LEU 96 Ca -0.07 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2jua h LEU 96 Cb 1.37 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 2jua h LEU 96 CO 0.04 0.35 0.10 1.21 -0.62 0.00 0.00 178.44 179.52 2jua n GLU 97 N -4.92 0.00 0.02 1.25 2.13 -1.25 0.71 120.64 118.58 2jua n GLU 97 Ca -0.06 0.13 -0.19 0.00 0.66 0.00 0.00 57.16 57.70 2jua n GLU 97 Cb 0.20 -1.60 -0.14 0.00 0.27 0.00 0.00 31.44 30.16 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 0.24 0.00 5.31 4.81 -1.59 -1.08 114.58 122.27 2jua h GLU 98 Ca 0.00 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2jua h GLU 98 Cb 0.21 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2jua h GLU 98 CO 0.00 1.12 -0.03 1.25 -0.73 0.00 0.00 179.01 180.62 2jua h LEU 99 N 0.07 0.00 0.00 1.64 5.85 0.32 -1.73 115.31 121.45 2jua h LEU 99 Ca -0.38 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.05 2jua h LEU 99 Cb 2.04 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.02 2jua h LEU 99 CO 0.11 0.03 -2.21 1.33 -0.34 0.00 0.00 178.44 177.35 2jua n VAL 100 N -3.32 1.19 0.00 1.05 0.24 -1.19 -4.13 118.33 112.17 2jua n VAL 100 Ca -0.02 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 2jua n VAL 100 Cb 0.15 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 2jua n VAL 100 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2jua n HIS 101 N -2.71 0.00 -0.75 6.34 -0.00 -0.41 -5.10 115.22 112.58 2jua n HIS 101 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.46 2jua n HIS 101 Cb 1.04 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 30.70 2jua n HIS 101 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23