#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 4.02 -1.26 -4.90 117.16 116.14 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2jua n TYR 2 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jua n GLY 3 N -0.90 0.76 0.28 2.72 0.00 -1.26 -4.97 105.19 101.83 2jua n GLY 3 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.06 -0.30 1.61 5.02 -1.26 0.66 118.16 123.83 2jua n LYS 4 Ca 0.00 1.23 -0.08 0.00 -2.02 0.00 0.00 58.31 57.43 2jua n LYS 4 Cb 0.00 -2.05 -0.05 0.00 -0.02 0.00 0.00 35.03 32.91 2jua n LYS 4 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jua h LEU 5 N 0.00 -1.75 -1.54 -0.35 -0.00 -1.95 2.65 115.31 112.37 2jua h LEU 5 Ca 0.60 0.29 0.48 0.00 -0.00 0.00 0.00 57.88 59.24 2jua h LEU 5 Cb 1.41 0.80 -0.09 0.00 -0.00 0.00 0.00 40.66 42.77 2jua h LEU 5 CO -0.74 -0.30 1.06 -0.46 -0.00 0.00 0.00 178.44 178.01 2jua n ASN 6 N -5.37 0.08 -0.02 -0.43 6.94 0.21 0.39 115.26 117.07 2jua n ASN 6 Ca 0.03 1.04 -0.16 0.00 -0.02 0.00 0.00 54.58 55.46 2jua n ASN 6 Cb 0.33 -0.51 -0.09 0.00 -2.36 0.00 0.00 39.78 37.14 2jua n ASN 6 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2jua h ASP 7 N 0.00 0.57 -0.24 0.53 1.82 0.46 0.11 116.42 119.67 2jua h ASP 7 Ca 0.82 -0.67 -0.09 0.00 -0.39 0.00 0.00 57.03 56.69 2jua h ASP 7 Cb 3.02 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 42.85 2jua h ASP 7 CO -0.19 1.15 -0.20 -0.07 -1.61 0.00 0.00 179.24 178.33 2jua h LEU 8 N 0.03 0.60 0.29 2.28 -0.00 0.81 -1.52 115.31 117.80 2jua h LEU 8 Ca -0.04 -0.46 -0.01 0.00 -0.00 0.00 0.00 57.88 57.37 2jua h LEU 8 Cb 1.17 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2jua h LEU 8 CO 0.10 0.93 -0.14 0.25 -0.00 0.00 0.00 178.44 179.59 2jua h LEU 9 N 0.28 -0.33 0.04 1.67 6.46 0.20 0.19 115.31 123.80 2jua h LEU 9 Ca 0.04 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2jua h LEU 9 Cb 0.75 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.71 2jua h LEU 9 CO 0.05 -0.22 -0.47 -0.08 -0.62 0.00 0.00 178.44 177.10 2jua h GLU 10 N -0.41 -0.62 -0.02 1.25 4.57 -0.88 0.27 114.58 118.75 2jua h GLU 10 Ca -0.04 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2jua h GLU 10 Cb 0.30 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.97 2jua h GLU 10 CO 0.07 -0.41 -0.47 -0.44 -1.18 0.00 0.00 179.01 176.58 2jua h ASP 11 N -0.64 -1.44 -0.36 1.04 3.32 -1.34 0.55 116.42 117.56 2jua h ASP 11 Ca 0.03 0.17 0.08 0.00 0.02 0.00 0.00 57.03 57.32 2jua h ASP 11 Cb 0.70 0.56 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 2jua h ASP 11 CO -0.31 -0.48 -0.14 0.25 -1.72 0.00 0.00 179.24 176.84 2jua h LEU 12 N -0.60 -0.47 -0.41 1.55 5.85 -0.21 0.43 115.31 121.45 2jua h LEU 12 Ca 0.04 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jua h LEU 12 Cb 0.68 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2jua h LEU 12 CO -0.35 -0.17 0.00 0.00 -0.34 0.00 0.00 178.44 177.58 2jua n GLN 13 N -5.33 0.11 -0.08 1.25 10.64 0.93 -3.18 117.38 121.72 2jua n GLN 13 Ca 0.01 0.36 -0.14 0.00 -1.83 0.00 0.00 57.00 55.41 2jua n GLN 13 Cb 0.24 -1.71 -0.08 0.00 -0.86 0.00 0.00 30.24 27.83 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 -1.27 2.61 5.08 0.43 -3.23 114.58 118.20 2jua h GLU 14 Ca 0.00 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.74 2jua h GLU 14 Cb 0.30 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 2jua h GLU 14 CO 0.00 0.64 0.85 -0.39 -1.00 0.00 0.00 179.01 179.11 2jua h VAL 15 N -1.00 0.28 0.00 3.13 -1.51 -0.74 3.36 116.25 119.77 2jua h VAL 15 Ca -0.16 -0.05 -0.05 0.00 -1.23 0.00 0.00 66.70 65.20 2jua h VAL 15 Cb 0.92 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 2jua h VAL 15 CO -0.10 0.03 -0.25 0.17 -1.23 0.00 0.00 177.57 176.19 2jua h LEU 16 N 0.16 0.00 0.09 4.19 8.10 -1.66 -2.96 115.31 123.23 2jua h LEU 16 Ca 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.71 2jua h LEU 16 Cb 2.31 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.53 2jua h LEU 16 CO -0.28 0.25 -0.04 0.50 -4.11 0.00 0.00 178.44 174.76 2jua h LYS 17 N 0.00 -0.11 -0.21 0.17 3.11 0.62 0.61 116.57 120.76 2jua h LYS 17 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2jua h LYS 17 Cb 0.86 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 2jua h LYS 17 CO 0.03 0.14 0.00 1.58 -2.81 0.00 0.00 179.45 178.40 2jua n HIS 18 N -4.83 0.00 0.00 1.91 -0.00 -0.61 -2.22 115.22 109.47 2jua n HIS 18 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2jua n HIS 18 Cb 0.15 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 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 -0.11 0.00 0.20 3.57 0.31 -1.12 -4.51 118.33 116.68 2jua n VAL 19 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2jua n VAL 19 Cb 0.05 -0.56 0.83 0.00 -0.91 0.00 0.00 33.84 33.25 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 0.00 0.00 4.52 -0.26 -0.39 -2.28 115.58 117.16 2jua h ASN 20 Ca 0.00 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.53 2jua h ASN 20 Cb 0.59 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 2jua h ASN 20 CO 0.00 0.00 -1.25 1.67 -1.06 0.00 0.00 177.43 176.79 2jua n GLN 21 N -3.64 0.55 -0.37 0.81 -0.06 -1.25 -4.14 117.38 109.27 2jua n GLN 21 Ca 0.02 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 2jua n GLN 21 Cb 0.39 -1.71 0.00 0.00 -4.06 0.00 0.00 30.24 24.85 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 -4.45 0.00 -2.96 3.69 8.25 -0.98 -4.86 115.22 113.92 2jua n HIS 22 Ca -0.30 -0.83 -0.40 0.00 -0.26 0.00 0.00 57.72 55.93 2jua n HIS 22 Cb 0.63 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 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 0.15 3.80 -0.11 4.41 -0.11 -0.90 -4.60 118.94 121.57 2jua s TRP 23 Ca 0.00 1.56 -0.05 0.00 1.22 0.00 0.00 56.10 58.82 2jua s TRP 23 Cb 0.00 -2.83 0.05 0.00 -1.50 0.00 0.00 33.47 29.19 2jua s TRP 23 CO 0.00 0.35 0.26 -0.65 -4.62 0.00 0.00 176.95 172.28 2jua s GLN 24 N -0.40 0.20 0.00 5.86 -1.52 -1.26 -4.87 119.66 117.67 2jua s GLN 24 Ca 0.38 0.59 0.00 0.00 -1.95 0.00 0.00 55.36 54.38 2jua s GLN 24 Cb -0.22 -0.10 0.00 0.00 -0.22 0.00 0.00 33.01 32.48 2jua s GLN 24 CO 0.25 -0.19 0.00 0.41 -0.25 0.00 0.00 175.29 175.51 2jua n GLY 25 N 4.49 0.44 0.00 3.09 0.00 -1.26 -4.40 105.19 107.55 2jua n GLY 25 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.13 0.00 -0.02 0.00 -1.26 -4.91 105.19 97.87 2jua n GLY 26 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 0.07 1.61 7.27 -1.26 0.14 117.38 125.20 2jua n GLN 27 Ca 0.00 0.27 0.13 0.00 0.07 0.00 0.00 57.00 57.47 2jua n GLN 27 Cb 0.00 -1.71 0.39 0.00 2.41 0.00 0.00 30.24 31.33 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 -1.27 0.19 0.07 3.69 2.85 -1.26 -3.65 118.16 118.79 2jua n LYS 28 Ca 0.00 0.13 -0.21 0.00 -1.05 0.00 0.00 58.31 57.18 2jua n LYS 28 Cb 0.21 -1.69 -0.15 0.00 -0.65 0.00 0.00 35.03 32.75 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 0.55 -1.67 -5.58 4.21 0.78 -2.96 115.58 110.92 2jua h ASN 29 Ca 0.00 -0.94 0.48 0.00 1.21 0.00 0.00 56.30 57.05 2jua h ASN 29 Cb 0.67 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.62 2jua h ASN 29 CO 0.00 1.46 1.23 -0.03 -1.29 0.00 0.00 177.43 178.80 2jua h MET 30 N -0.25 0.00 0.14 0.81 1.85 -1.67 1.77 114.93 117.58 2jua h MET 30 Ca -0.16 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.59 2jua h MET 30 Cb 1.75 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.77 2jua h MET 30 CO 0.18 0.00 -1.73 -0.91 -0.40 0.00 0.00 176.91 174.05 2jua h ASN 31 N 0.00 0.46 -0.08 1.39 -0.26 -1.74 -2.82 115.58 112.52 2jua h ASN 31 Ca 0.79 -0.90 -0.07 0.00 -0.56 0.00 0.00 56.30 55.56 2jua h ASN 31 Cb 3.25 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 40.36 2jua h ASN 31 CO -0.01 1.76 -0.23 0.11 -1.06 0.00 0.00 177.43 178.00 2jua h LYS 32 N -0.06 0.31 -0.01 0.81 1.79 0.93 -3.02 116.57 117.31 2jua h LYS 32 Ca -0.36 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2jua h LYS 32 Cb 1.95 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.64 2jua h LYS 32 CO 0.10 0.83 0.01 -0.39 -1.08 0.00 0.00 179.45 178.91 2jua h VAL 33 N -0.17 1.06 0.00 0.50 -1.51 0.20 0.41 116.25 116.75 2jua h VAL 33 Ca -0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2jua h VAL 33 Cb 0.84 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2jua h VAL 33 CO 0.05 0.05 0.40 -0.78 -1.23 0.00 0.00 177.57 176.06 2jua h ASP 34 N -0.06 0.00 0.50 4.19 3.58 -1.54 0.86 116.42 123.95 2jua h ASP 34 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.16 2jua h ASP 34 Cb 0.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2jua h ASP 34 CO -0.00 0.00 -1.60 -0.74 -2.88 0.00 0.00 179.24 174.02 2jua h HIS 35 N 0.00 0.21 -0.21 0.28 2.76 -0.80 -2.70 115.15 114.68 2jua h HIS 35 Ca 0.00 -0.15 -0.04 0.00 -2.20 0.00 0.00 60.37 57.98 2jua h HIS 35 Cb 0.81 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 2jua h HIS 35 CO 0.00 1.23 -0.02 0.45 -1.30 0.00 0.00 177.93 178.29 2jua h HIS 36 N 0.03 0.41 -0.14 5.26 3.86 0.14 -2.79 115.15 121.92 2jua h HIS 36 Ca -0.25 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 58.82 2jua h HIS 36 Cb 1.98 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 30.35 2jua h HIS 36 CO 0.03 0.59 -0.13 -0.07 0.86 0.00 0.00 177.93 179.21 2jua h LEU 37 N 0.12 0.36 -0.91 2.43 4.07 -1.56 -2.42 115.31 117.40 2jua h LEU 37 Ca 0.06 -0.47 0.24 0.00 0.08 0.00 0.00 57.88 57.78 2jua h LEU 37 Cb 0.43 -0.10 -0.16 0.00 1.08 0.00 0.00 40.66 41.91 2jua h LEU 37 CO 0.01 0.76 0.05 1.56 -1.08 0.00 0.00 178.44 179.74 2jua h GLN 38 N -0.03 0.06 -0.28 1.13 4.20 -1.45 1.96 115.11 120.70 2jua h GLN 38 Ca 0.02 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2jua h GLN 38 Cb 0.65 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2jua h GLN 38 CO 0.03 0.04 -0.10 -0.97 -0.67 0.00 0.00 178.83 177.16 2jua h ASN 39 N 0.06 0.56 0.33 1.46 -0.73 -1.38 -2.53 115.58 113.36 2jua h ASN 39 Ca 0.54 -0.39 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 2jua h ASN 39 Cb 1.07 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.51 2jua h ASN 39 CO -0.82 0.82 -0.16 0.58 -0.37 0.00 0.00 177.43 177.49 2jua h VAL 40 N 0.30 0.00 -1.55 2.57 2.07 0.82 -2.88 116.25 117.58 2jua h VAL 40 Ca 0.07 -0.27 0.48 0.00 0.82 0.00 0.00 66.70 67.80 2jua h VAL 40 Cb 0.59 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 2jua h VAL 40 CO 0.03 0.00 1.07 -0.38 0.02 0.00 0.00 177.57 178.31 2jua n ILE 41 N -3.96 -0.11 -0.17 4.57 5.41 0.60 0.41 119.36 126.11 2jua n ILE 41 Ca -0.06 1.49 -0.05 0.00 1.00 0.00 0.00 62.75 65.14 2jua n ILE 41 Cb 0.18 -2.47 0.13 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 0.93 0.42 0.38 4.57 -1.24 -2.10 114.58 117.54 2jua h GLU 42 Ca 0.83 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.77 2jua h GLU 42 Cb 3.04 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 31.51 2jua h GLU 42 CO -0.21 0.86 -0.20 0.22 -1.18 0.00 0.00 179.01 178.50 2jua h ASP 43 N 0.88 -0.48 -0.43 1.04 3.58 0.80 -1.83 116.42 119.99 2jua h ASP 43 Ca 0.18 -0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.72 2jua h ASP 43 Cb 0.37 0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.45 2jua h ASP 43 CO 0.01 -0.32 -0.26 0.40 -2.88 0.00 0.00 179.24 176.19 2jua h ILE 44 N -0.59 0.31 -0.84 2.25 2.04 -1.29 0.98 117.51 120.37 2jua h ILE 44 Ca -0.06 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.03 2jua h ILE 44 Cb 0.45 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2jua h ILE 44 CO 0.09 0.00 0.59 -0.74 0.00 0.00 0.00 178.15 178.10 2jua h HIS 45 N -0.17 0.13 -0.01 1.37 2.76 -1.11 1.66 115.15 119.78 2jua h HIS 45 Ca 0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2jua h HIS 45 Cb 0.49 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2jua h HIS 45 CO -0.50 0.03 -0.02 -3.47 -1.30 0.00 0.00 177.93 172.68 2jua n ASP 46 N -4.35 0.85 0.10 3.26 -0.08 0.32 -3.54 116.55 113.12 2jua n ASP 46 Ca 0.17 -1.22 0.08 0.00 -1.51 0.00 0.00 54.79 52.32 2jua n ASP 46 Cb 0.84 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.30 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 1.31 0.00 0.00 -0.67 3.04 0.41 0.74 116.94 121.77 2jua h PHE 47 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2jua h PHE 47 Cb 0.31 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2jua h PHE 47 CO 0.00 0.18 -0.53 0.52 -2.02 0.00 0.00 178.31 176.45 2jua h MET 48 N 0.00 0.00 0.00 1.11 0.00 -1.59 -3.36 114.93 111.09 2jua h MET 48 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 59.70 59.62 2jua h MET 48 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.76 2jua h MET 48 CO 0.02 0.15 -1.24 0.00 0.00 0.00 0.00 176.91 175.84 2jua n GLN 49 N -3.00 1.92 0.00 1.72 0.00 -1.24 -4.51 117.38 112.27 2jua n GLN 49 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 56.99 2jua n GLN 49 Cb 0.62 -1.10 0.00 0.00 0.00 0.00 0.00 30.24 29.76 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 2.54 0.00 5.00 2.61 0.00 0.26 -4.72 105.19 110.88 2jua n GLY 50 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.79 1.36 0.00 -0.02 0.00 -1.26 -3.34 105.19 101.14 2jua n GLY 51 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.03 -0.02 0.00 -1.26 -5.03 105.19 101.91 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 4.33 0.00 1.61 7.64 -1.21 -4.72 113.62 121.27 2jua n SER 53 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2jua n SER 53 Cb 0.00 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 61.53 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 4.43 -0.09 0.13 0.23 0.00 -1.26 0.47 105.19 109.09 2jua n GLY 54 Ca 0.50 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 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 0.30 2.00 -0.02 0.00 -2.00 -3.16 103.07 100.19 2jua h GLY 55 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2jua h GLY 55 CO 0.00 0.68 0.00 0.28 0.00 0.00 0.00 176.54 177.50 2jua n LYS 56 N -3.45 0.12 -0.07 4.80 5.02 0.18 -3.07 118.16 121.69 2jua n LYS 56 Ca -0.24 0.44 -0.05 0.00 -2.02 0.00 0.00 58.31 56.43 2jua n LYS 56 Cb 1.06 -1.77 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 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 0.00 -0.35 6.46 -1.61 -3.29 115.31 116.52 2jua h LEU 57 Ca 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2jua h LEU 57 Cb 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2jua h LEU 57 CO 0.00 0.77 0.29 0.00 -0.62 0.00 0.00 178.44 178.88 2jua n GLN 58 N -4.64 0.00 -0.07 1.25 3.00 -1.17 -0.04 117.38 115.71 2jua n GLN 58 Ca -0.08 0.15 -0.09 0.00 -0.01 0.00 0.00 57.00 56.98 2jua n GLN 58 Cb 0.25 -1.79 -0.07 0.00 0.00 0.00 0.00 30.24 28.63 2jua n GLN 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2jua h GLU 59 N 0.00 0.00 0.00 -1.09 4.81 -1.61 -3.28 114.58 113.41 2jua h GLU 59 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jua h GLU 59 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2jua h GLU 59 CO 0.00 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.81 2jua n MET 60 N -4.66 0.14 -0.34 1.92 0.00 0.94 -2.72 117.12 112.41 2jua n MET 60 Ca -0.08 0.36 0.11 0.00 0.00 0.00 0.00 57.70 58.08 2jua n MET 60 Cb 0.30 -1.76 0.31 0.00 0.00 0.00 0.00 33.22 32.06 2jua n MET 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2jua h MET 61 N 0.00 0.81 -0.32 3.17 1.85 -1.28 1.45 114.93 120.62 2jua h MET 61 Ca 0.00 -0.05 -0.13 0.00 -0.61 0.00 0.00 59.70 58.91 2jua h MET 61 Cb 0.35 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 2jua h MET 61 CO 0.00 0.54 -0.33 1.57 -0.40 0.00 0.00 176.91 178.29 2jua h LYS 62 N 0.84 0.70 -0.02 0.39 2.10 -1.68 -1.62 116.57 117.28 2jua h LYS 62 Ca 0.52 -0.32 -0.21 0.00 -2.00 0.00 0.00 60.65 58.64 2jua h LYS 62 Cb 0.71 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2jua h LYS 62 CO -0.29 0.93 -0.88 0.93 -2.00 0.00 0.00 179.45 178.14 2jua h GLU 63 N 0.59 0.35 -0.34 0.07 4.39 -0.71 -3.13 114.58 115.80 2jua h GLU 63 Ca 0.06 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2jua h GLU 63 Cb 0.84 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2jua h GLU 63 CO 0.07 1.03 0.12 0.35 -1.16 0.00 0.00 179.01 179.43 2jua h PHE 64 N 0.21 0.53 0.00 4.33 3.04 0.20 -1.39 116.94 123.86 2jua h PHE 64 Ca -0.06 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.85 2jua h PHE 64 Cb 1.50 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.85 2jua h PHE 64 CO 0.05 0.51 0.00 0.94 -2.02 0.00 0.00 178.31 177.79 2jua n GLN 65 N -4.68 0.17 0.10 1.11 0.00 -0.63 -1.76 117.38 111.70 2jua n GLN 65 Ca -0.01 0.17 0.06 0.00 -0.00 0.00 0.00 57.00 57.21 2jua n GLN 65 Cb 0.15 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 28.89 2jua n GLN 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 2jua h GLN 66 N 0.00 0.00 0.11 3.69 1.08 -1.19 -3.31 115.11 115.50 2jua h GLN 66 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2jua h GLN 66 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2jua h GLN 66 CO 0.00 0.19 -0.06 0.28 -0.95 0.00 0.00 178.83 178.30 2jua h VAL 67 N 0.00 0.90 -0.44 -0.54 2.07 -1.34 -2.54 116.25 114.37 2jua h VAL 67 Ca -0.06 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.22 2jua h VAL 67 Cb 1.28 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 32.53 2jua h VAL 67 CO 0.03 0.26 -0.51 -0.07 0.02 0.00 0.00 177.57 177.29 2jua h LEU 68 N -0.89 -1.72 -2.65 2.57 4.07 -1.71 1.36 115.31 116.34 2jua h LEU 68 Ca -0.02 0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.19 2jua h LEU 68 Cb 0.54 0.72 -0.00 0.00 1.08 0.00 0.00 40.66 43.00 2jua h LEU 68 CO 0.03 -0.39 0.10 -2.24 -1.08 0.00 0.00 178.44 174.86 2jua h ASP 69 N -0.35 0.00 0.00 -0.43 3.04 -1.66 0.69 116.42 117.71 2jua h ASP 69 Ca 0.10 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.86 2jua h ASP 69 Cb 0.59 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.87 2jua h ASP 69 CO -0.61 0.00 -0.24 -0.08 -2.04 0.00 0.00 179.24 176.27 2jua h GLU 70 N 0.00 0.00 -0.11 4.15 4.81 0.20 -3.33 114.58 120.30 2jua h GLU 70 Ca 0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 2jua h GLU 70 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2jua h GLU 70 CO -0.00 0.79 -0.67 0.82 -0.73 0.00 0.00 179.01 179.22 2jua h ILE 71 N -1.00 1.36 -0.86 2.32 2.04 0.14 -3.17 117.51 118.33 2jua h ILE 71 Ca -0.06 -2.02 0.19 0.00 1.00 0.00 0.00 64.86 63.97 2jua h ILE 71 Cb 0.86 2.00 -0.16 0.00 -0.74 0.00 0.00 36.82 38.78 2jua h ILE 71 CO -0.04 0.61 -0.14 0.50 0.00 0.00 0.00 178.15 179.09 2jua h LYS 72 N 0.32 0.02 -0.67 2.37 3.64 0.24 0.82 116.57 123.31 2jua h LYS 72 Ca -0.02 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2jua h LYS 72 Cb 1.23 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2jua h LYS 72 CO 0.12 0.01 0.30 0.37 -2.27 0.00 0.00 179.45 177.98 2jua h GLN 73 N 0.02 0.97 -0.79 1.90 4.15 -1.66 -2.55 115.11 117.15 2jua h GLN 73 Ca 0.44 -0.15 0.18 0.00 0.77 0.00 0.00 58.65 59.89 2jua h GLN 73 Cb 0.74 -0.17 -0.12 0.00 0.21 0.00 0.00 27.48 28.15 2jua h GLN 73 CO -0.85 0.78 0.22 1.96 -1.93 0.00 0.00 178.83 179.01 2jua h GLN 74 N 0.93 0.27 -0.81 1.69 1.08 0.61 0.51 115.11 119.39 2jua h GLN 74 Ca 0.23 -0.02 0.24 0.00 -1.45 0.00 0.00 58.65 57.65 2jua h GLN 74 Cb 0.15 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2jua h GLN 74 CO -0.03 0.18 0.66 -0.07 -0.95 0.00 0.00 178.83 178.63 2jua h LEU 75 N 0.28 0.00 0.00 1.46 -0.00 -0.94 0.30 115.31 116.41 2jua h LEU 75 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.34 2jua h LEU 75 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2jua h LEU 75 CO -0.54 0.00 0.00 1.67 -0.00 0.00 0.00 178.44 179.57 2jua n GLN 76 N -4.02 0.10 0.00 1.13 -0.06 0.18 -4.55 117.38 110.17 2jua n GLN 76 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 2jua n GLN 76 Cb 0.95 -1.14 0.00 0.00 -4.06 0.00 0.00 30.24 25.99 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jua n GLY 77 N -0.51 5.76 2.58 1.69 0.00 0.10 -5.02 105.19 109.80 2jua n GLY 77 Ca 0.01 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 4.59 5.70 2.28 -0.02 0.00 -1.26 -4.65 105.19 111.82 2jua n GLY 78 Ca 0.00 -2.34 -0.27 0.00 0.00 0.00 0.00 46.02 43.41 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 0.82 5.09 0.00 1.61 5.68 -1.26 -4.80 116.55 123.69 2jua n ASP 79 Ca 0.53 -3.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.08 2jua n ASP 79 Cb 0.26 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2jua n ASP 79 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jua n ASN 80 N -0.61 0.00 -0.01 -1.12 3.02 -1.26 -0.06 115.26 115.21 2jua n ASN 80 Ca 0.43 0.12 -0.20 0.00 -0.03 0.00 0.00 54.58 54.91 2jua n ASN 80 Cb 0.78 -0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.28 -0.94 6.41 0.02 -1.87 -3.31 113.55 114.15 2jua h SER 81 Ca 0.00 -0.85 0.04 0.00 -0.84 0.00 0.00 61.79 60.14 2jua h SER 81 Cb 0.17 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 2jua h SER 81 CO 0.00 1.46 0.62 -0.07 -1.14 0.00 0.00 176.83 177.69 2jua h LEU 82 N -0.53 1.02 -1.60 5.07 4.07 -0.73 0.11 115.31 122.72 2jua h LEU 82 Ca -0.23 -0.01 0.31 0.00 0.08 0.00 0.00 57.88 58.03 2jua h LEU 82 Cb 1.55 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 43.02 2jua h LEU 82 CO 0.03 0.69 1.01 -0.74 -1.08 0.00 0.00 178.44 178.35 2jua h HIS 83 N 1.18 0.00 0.01 1.13 -0.00 -1.61 3.66 115.15 119.52 2jua h HIS 83 Ca 0.37 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.38 2jua h HIS 83 Cb 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.37 2jua h HIS 83 CO -0.00 0.00 -2.24 0.09 -0.00 0.00 0.00 177.93 175.78 2jua n ASN 84 N -3.63 0.87 -0.08 3.26 3.02 0.32 -3.89 115.26 115.13 2jua n ASN 84 Ca 0.23 0.07 -0.21 0.00 -0.03 0.00 0.00 54.58 54.64 2jua n ASN 84 Cb 1.35 0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 40.66 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 1.04 0.00 2.41 2.07 0.15 -3.31 116.25 118.61 2jua h VAL 85 Ca -0.49 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 64.79 2jua h VAL 85 Cb 2.10 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 2jua h VAL 85 CO 0.02 0.42 0.10 -0.74 0.02 0.00 0.00 177.57 177.39 2jua h HIS 86 N -0.88 0.00 0.00 1.57 -0.00 0.62 0.69 115.15 117.15 2jua h HIS 86 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2jua h HIS 86 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 2jua h HIS 86 CO 0.13 0.00 -0.33 -0.85 -0.00 0.00 0.00 177.93 176.88 2jua n GLU 87 N -2.60 0.16 -0.07 5.26 0.28 -1.21 -3.94 120.64 118.53 2jua n GLU 87 Ca -0.02 0.08 -0.12 0.00 -0.16 0.00 0.00 57.16 56.94 2jua n GLU 87 Cb 0.15 -1.63 -0.11 0.00 1.43 0.00 0.00 31.44 31.28 2jua n GLU 87 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2jua h ASN 88 N 0.00 0.00 -0.95 -1.84 2.35 0.31 -3.33 115.58 112.11 2jua h ASN 88 Ca 0.00 -0.79 0.15 0.00 -0.55 0.00 0.00 56.30 55.11 2jua h ASN 88 Cb 0.64 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.85 2jua h ASN 88 CO 0.00 0.94 -0.36 -0.38 -1.65 0.00 0.00 177.43 175.98 2jua n ILE 89 N -4.63 -0.50 -0.30 2.81 2.08 -1.19 0.21 119.36 117.84 2jua n ILE 89 Ca -0.10 2.23 0.14 0.00 0.56 0.00 0.00 62.75 65.58 2jua n ILE 89 Cb 0.41 -2.95 0.30 0.00 -0.75 0.00 0.00 39.64 36.65 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 0.22 0.06 0.38 3.64 -1.72 1.59 116.57 120.74 2jua h LYS 90 Ca 0.34 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.55 2jua h LYS 90 Cb 0.58 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2jua h LYS 90 CO -0.95 0.15 -0.80 0.93 -2.27 0.00 0.00 179.45 176.51 2jua h GLU 91 N 0.23 0.12 0.68 1.90 5.08 0.24 -3.02 114.58 119.81 2jua h GLU 91 Ca 0.56 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2jua h GLU 91 Cb 1.14 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.48 2jua h GLU 91 CO -0.64 1.10 -0.32 0.82 -1.00 0.00 0.00 179.01 178.96 2jua h ILE 92 N -0.70 0.34 0.11 3.13 1.08 0.31 -0.84 117.51 120.95 2jua h ILE 92 Ca -0.18 -0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 2jua h ILE 92 Cb 1.39 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 2jua h ILE 92 CO -0.00 0.00 -0.39 0.15 -0.69 0.00 0.00 178.15 177.22 2jua h PHE 93 N -0.91 -1.10 0.00 1.37 3.57 0.21 0.56 116.94 120.64 2jua h PHE 93 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2jua h PHE 93 Cb 0.70 0.47 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2jua h PHE 93 CO -0.03 -0.50 0.00 1.58 -2.23 0.00 0.00 178.31 177.14 2jua n HIS 94 N -5.45 0.00 0.05 0.41 -0.00 -1.14 -1.54 115.22 107.55 2jua n HIS 94 Ca -0.07 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.95 2jua n HIS 94 Cb 0.37 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.10 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 0.39 0.26 1.57 2.76 0.16 -3.34 115.15 116.96 2jua h HIS 95 Ca 0.00 -0.29 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 2jua h HIS 95 Cb 0.00 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2jua h HIS 95 CO 0.00 1.37 -0.13 1.25 -1.30 0.00 0.00 177.93 179.12 2jua h LEU 96 N 0.06 -0.30 0.00 0.26 6.46 -1.10 -1.89 115.31 118.80 2jua h LEU 96 Ca -0.26 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2jua h LEU 96 Cb 2.01 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 42.02 2jua h LEU 96 CO 0.14 0.10 0.11 1.21 -0.62 0.00 0.00 178.44 179.39 2jua n GLU 97 N -5.08 0.00 -0.11 1.25 2.13 -1.24 -0.27 120.64 117.33 2jua n GLU 97 Ca -0.09 0.11 -0.23 0.00 0.66 0.00 0.00 57.16 57.60 2jua n GLU 97 Cb 0.26 -1.61 -0.11 0.00 0.27 0.00 0.00 31.44 30.24 2jua n GLU 97 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jua n GLU 98 N -0.97 0.58 0.00 5.31 2.13 -0.72 -2.12 120.64 124.86 2jua n GLU 98 Ca 0.00 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.33 2jua n GLU 98 Cb 0.11 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2jua n GLU 98 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2jua n LEU 99 N -4.36 0.00 -0.08 4.31 4.32 0.62 -0.96 117.00 120.86 2jua n LEU 99 Ca -0.36 0.44 -0.09 0.00 -0.02 0.00 0.00 56.01 55.98 2jua n LEU 99 Cb 0.73 -0.44 -0.10 0.00 -1.62 0.00 0.00 43.42 41.99 2jua n LEU 99 CO 0.17 -0.44 -1.00 1.33 -1.22 0.00 0.00 177.39 176.23 2jua n VAL 100 N -1.44 0.98 0.21 4.08 0.24 -1.16 -4.37 118.33 116.87 2jua n VAL 100 Ca 0.00 -0.53 0.02 0.00 -2.04 0.00 0.00 64.34 61.80 2jua n VAL 100 Cb 0.04 -0.80 0.11 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.03 6.34 6.17 -0.50 -3.50 115.15 123.64 2jua h HIS 101 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.69 2jua h HIS 101 Cb 1.78 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.71 2jua h HIS 101 CO 0.01 0.00 0.00 0.54 0.71 0.00 0.00 177.93 179.19