#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jua h TYR 2 N 0.00 -0.94 0.00 1.12 -1.99 -1.98 -3.47 116.97 109.71 2jua h TYR 2 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2jua h TYR 2 Cb 0.00 0.31 0.00 0.00 2.00 0.00 0.00 36.73 39.04 2jua h TYR 2 CO 0.00 -0.58 0.00 0.41 -0.00 0.00 0.00 178.16 177.99 2jua n GLY 3 N -1.09 1.11 0.28 3.88 0.00 -1.26 -4.93 105.19 103.19 2jua n GLY 3 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2jua n GLY 3 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jua h LYS 4 N 2.92 0.32 -0.84 1.61 1.63 -2.01 -1.94 116.57 118.27 2jua h LYS 4 Ca 0.00 -0.03 0.17 0.00 -0.85 0.00 0.00 60.65 59.95 2jua h LYS 4 Cb 0.00 -0.07 -0.16 0.00 -0.60 0.00 0.00 32.23 31.40 2jua h LYS 4 CO 0.00 0.24 -0.18 -0.07 -3.45 0.00 0.00 179.45 175.99 2jua h LEU 5 N 0.33 -0.73 -1.50 5.20 -0.00 -1.96 5.03 115.31 121.68 2jua h LEU 5 Ca 0.09 0.25 0.32 0.00 -0.00 0.00 0.00 57.88 58.54 2jua h LEU 5 Cb 0.01 0.51 -0.09 0.00 -0.00 0.00 0.00 40.66 41.09 2jua h LEU 5 CO -0.01 -0.27 0.75 -1.13 -0.00 0.00 0.00 178.44 177.77 2jua h ASN 6 N 0.01 0.31 -0.02 -0.43 -0.73 -1.74 2.72 115.58 115.70 2jua h ASN 6 Ca 0.41 0.08 -0.13 0.00 1.87 0.00 0.00 56.30 58.53 2jua h ASN 6 Cb 0.65 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 2jua h ASN 6 CO -0.85 0.01 -0.40 -0.78 -0.37 0.00 0.00 177.43 175.04 2jua h ASP 7 N 0.25 0.56 0.13 1.15 1.82 0.99 0.25 116.42 121.57 2jua h ASP 7 Ca 0.64 -0.25 -0.18 0.00 -0.39 0.00 0.00 57.03 56.86 2jua h ASP 7 Cb 1.91 -0.16 0.02 0.00 0.68 0.00 0.00 39.33 41.78 2jua h ASP 7 CO -0.27 0.90 -0.77 -0.07 -1.61 0.00 0.00 179.24 177.42 2jua h LEU 8 N 0.44 0.45 0.87 2.28 -0.00 0.46 -2.81 115.31 117.01 2jua h LEU 8 Ca 0.04 -0.95 -0.04 0.00 -0.00 0.00 0.00 57.88 56.93 2jua h LEU 8 Cb 0.89 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2jua h LEU 8 CO 0.08 1.37 -0.42 0.25 -0.00 0.00 0.00 178.44 179.72 2jua h LEU 9 N -0.38 -0.99 -1.29 1.67 6.46 0.38 0.70 115.31 121.85 2jua h LEU 9 Ca -0.13 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.74 2jua h LEU 9 Cb 1.61 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 41.74 2jua h LEU 9 CO 0.15 -0.66 0.54 1.05 -0.62 0.00 0.00 178.44 178.89 2jua h GLU 10 N -1.26 0.78 -0.06 1.25 -0.00 -0.67 0.32 114.58 114.95 2jua h GLU 10 Ca -0.12 -0.05 -0.23 0.00 -0.00 0.00 0.00 59.36 58.97 2jua h GLU 10 Cb 0.90 -0.18 0.02 0.00 -0.00 0.00 0.00 28.75 29.49 2jua h GLU 10 CO 0.20 0.52 -0.84 -0.44 -0.00 0.00 0.00 179.01 178.44 2jua h ASP 11 N 0.80 0.85 0.03 3.06 5.19 -1.31 -2.21 116.42 122.83 2jua h ASP 11 Ca 0.37 -0.69 -0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2jua h ASP 11 Cb 0.39 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2jua h ASP 11 CO -0.15 1.42 -0.01 0.25 -3.12 0.00 0.00 179.24 177.63 2jua h LEU 12 N 0.35 -0.04 -2.39 1.55 5.85 0.13 -2.28 115.31 118.49 2jua h LEU 12 Ca -0.09 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2jua h LEU 12 Cb 1.49 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2jua h LEU 12 CO 0.17 0.33 -0.02 0.06 -0.34 0.00 0.00 178.44 178.64 2jua h GLN 13 N -0.41 0.00 0.26 1.25 3.07 -0.48 -2.77 115.11 116.04 2jua h GLN 13 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2jua h GLN 13 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 2jua h GLN 13 CO 0.01 0.02 -0.12 0.93 0.09 0.00 0.00 178.83 179.75 2jua h GLU 14 N 0.00 -0.34 -1.02 0.06 4.39 -1.05 -2.46 114.58 114.17 2jua h GLU 14 Ca -0.00 0.02 0.34 0.00 0.34 0.00 0.00 59.36 60.06 2jua h GLU 14 Cb 0.19 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 28.76 2jua h GLU 14 CO 0.00 -0.22 0.58 -0.39 -1.16 0.00 0.00 179.01 177.82 2jua h VAL 15 N -1.04 0.26 -0.61 3.13 -1.51 -1.30 3.17 116.25 118.35 2jua h VAL 15 Ca -0.04 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.33 2jua h VAL 15 Cb 0.27 -0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 29.36 2jua h VAL 15 CO 0.06 0.05 0.33 0.25 -1.23 0.00 0.00 177.57 177.03 2jua h LEU 16 N 0.27 0.75 0.00 4.19 5.85 -1.48 0.76 115.31 125.66 2jua h LEU 16 Ca 0.75 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.42 2jua h LEU 16 Cb 1.79 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2jua h LEU 16 CO -0.62 0.61 0.00 1.17 -0.34 0.00 0.00 178.44 179.27 2jua n LYS 17 N -4.38 0.17 -0.06 1.25 4.81 1.04 -2.86 118.16 118.12 2jua n LYS 17 Ca 0.06 0.02 0.12 0.00 -0.87 0.00 0.00 58.31 57.64 2jua n LYS 17 Cb 0.10 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 33.78 2jua n LYS 17 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2jua n HIS 18 N -1.41 0.15 -0.14 5.64 8.25 0.22 -4.41 115.22 123.52 2jua n HIS 18 Ca 0.10 -0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.19 2jua n HIS 18 Cb 0.28 -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 1.37 1.53 -0.35 1.59 0.31 -0.96 -3.60 118.33 118.22 2jua n VAL 19 Ca 0.15 -0.35 0.29 0.00 -0.01 0.00 0.00 64.34 64.42 2jua n VAL 19 Cb 0.59 -1.90 0.59 0.00 -0.91 0.00 0.00 33.84 32.22 2jua n VAL 19 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2jua h ASN 20 N -1.00 0.30 0.28 4.52 7.08 -1.78 2.85 115.58 127.84 2jua h ASN 20 Ca -0.67 0.08 0.00 0.00 -3.08 0.00 0.00 56.30 52.63 2jua h ASN 20 Cb 1.58 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.85 2jua h ASN 20 CO -0.40 0.01 -0.25 0.00 -2.08 0.00 0.00 177.43 174.71 2jua n GLN 21 N -4.53 0.75 -0.37 4.14 6.02 -1.26 -3.94 117.38 118.18 2jua n GLN 21 Ca 0.28 -0.41 0.03 0.00 -0.01 0.00 0.00 57.00 56.88 2jua n GLN 21 Cb 1.09 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 30.89 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 -0.77 0.00 -2.70 1.08 8.25 0.68 -5.08 115.22 116.69 2jua n HIS 22 Ca 0.12 -0.28 -0.32 0.00 -0.26 0.00 0.00 57.72 56.98 2jua n HIS 22 Cb 0.34 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.81 3.40 0.00 4.41 -0.11 0.80 -4.31 118.94 122.32 2jua s TRP 23 Ca 0.09 1.41 0.00 0.00 1.22 0.00 0.00 56.10 58.82 2jua s TRP 23 Cb 0.08 -2.72 0.00 0.00 -1.50 0.00 0.00 33.47 29.32 2jua s TRP 23 CO 0.01 -0.19 0.00 0.94 -4.62 0.00 0.00 176.95 173.09 2jua n GLN 24 N -1.08 0.00 0.00 5.86 7.27 -1.26 -4.95 117.38 123.22 2jua n GLN 24 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2jua n GLN 24 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 2jua n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jua n GLY 25 N 0.00 0.33 2.95 1.69 0.00 -1.26 -3.98 105.19 104.92 2jua n GLY 25 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 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 1.98 0.00 -0.02 0.00 -1.26 -4.93 107.32 103.09 2jua s GLY 26 Ca 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 44.72 42.05 2jua s GLY 26 CO 0.00 1.07 0.61 0.61 0.00 0.00 0.00 173.10 175.39 2jua n GLN 27 N 3.93 0.02 0.06 2.90 10.64 -1.26 -0.65 117.38 133.03 2jua n GLN 27 Ca 0.04 0.08 0.12 0.00 -1.83 0.00 0.00 57.00 55.41 2jua n GLN 27 Cb 0.39 -1.50 0.26 0.00 -0.86 0.00 0.00 30.24 28.52 2jua n GLN 27 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2jua n LYS 28 N -1.08 0.25 0.04 2.61 2.85 -1.26 -3.80 118.16 117.76 2jua n LYS 28 Ca 0.00 0.11 -0.16 0.00 -1.05 0.00 0.00 58.31 57.21 2jua n LYS 28 Cb 0.00 -1.69 -0.14 0.00 -0.65 0.00 0.00 35.03 32.55 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 0.32 -0.89 -5.58 2.35 -1.26 -3.27 115.58 107.25 2jua h ASN 29 Ca 0.00 -0.52 0.24 0.00 -0.55 0.00 0.00 56.30 55.47 2jua h ASN 29 Cb 0.71 -0.10 -0.14 0.00 0.05 0.00 0.00 38.32 38.84 2jua h ASN 29 CO 0.00 1.44 0.25 -0.03 -1.65 0.00 0.00 177.43 177.45 2jua h MET 30 N 0.06 0.21 -0.15 0.81 4.05 -1.68 0.46 114.93 118.69 2jua h MET 30 Ca -0.28 -0.01 -0.21 0.00 -0.28 0.00 0.00 59.70 58.91 2jua h MET 30 Cb 2.02 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 32.77 2jua h MET 30 CO 0.13 0.14 -0.75 -0.91 0.23 0.00 0.00 176.91 175.75 2jua h ASN 31 N 0.21 0.85 0.61 1.39 -0.26 -1.76 -0.53 115.58 116.10 2jua h ASN 31 Ca 0.56 -0.55 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 2jua h ASN 31 Cb 1.14 -0.25 0.01 0.00 -1.06 0.00 0.00 38.32 38.16 2jua h ASN 31 CO -0.65 1.34 -0.30 0.11 -1.06 0.00 0.00 177.43 176.87 2jua h LYS 32 N 0.50 -0.80 -0.81 0.81 1.79 -0.35 -2.89 116.57 114.82 2jua h LYS 32 Ca -0.04 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2jua h LYS 32 Cb 1.36 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 32.16 2jua h LYS 32 CO 0.15 -0.49 0.40 -0.39 -1.08 0.00 0.00 179.45 178.04 2jua h VAL 33 N -0.93 1.25 -0.87 0.50 -1.51 -0.45 -2.62 116.25 111.61 2jua h VAL 33 Ca -0.08 -0.68 0.20 0.00 -1.23 0.00 0.00 66.70 64.91 2jua h VAL 33 Cb 0.67 0.21 -0.16 0.00 -2.13 0.00 0.00 31.29 29.87 2jua h VAL 33 CO 0.14 0.29 -0.07 -0.78 -1.23 0.00 0.00 177.57 175.92 2jua h ASP 34 N 1.14 -0.56 -0.13 4.19 3.58 -0.93 0.47 116.42 124.18 2jua h ASP 34 Ca 0.28 0.25 0.02 0.00 0.42 0.00 0.00 57.03 57.99 2jua h ASP 34 Cb 0.10 0.46 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 2jua h ASP 34 CO -0.04 -0.27 0.02 -0.74 -2.88 0.00 0.00 179.24 175.33 2jua h HIS 35 N 0.04 0.03 0.40 0.28 2.76 -1.27 0.67 115.15 118.06 2jua h HIS 35 Ca 0.47 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.65 2jua h HIS 35 Cb 0.85 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 2jua h HIS 35 CO -0.54 0.01 -0.47 0.45 -1.30 0.00 0.00 177.93 176.08 2jua h HIS 36 N 0.07 -1.29 0.58 5.26 3.86 -0.15 0.23 115.15 123.71 2jua h HIS 36 Ca 0.06 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2jua h HIS 36 Cb 0.05 0.51 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 2jua h HIS 36 CO -0.13 -0.61 -0.47 1.25 0.86 0.00 0.00 177.93 178.84 2jua h LEU 37 N -0.89 -1.23 -2.00 2.43 6.46 -0.76 0.82 115.31 120.14 2jua h LEU 37 Ca -0.04 0.09 0.43 0.00 -0.12 0.00 0.00 57.88 58.24 2jua h LEU 37 Cb 0.80 0.39 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 2jua h LEU 37 CO -0.10 -0.66 1.08 -0.61 -0.62 0.00 0.00 178.44 177.52 2jua h GLN 38 N -1.02 0.00 0.00 1.25 4.15 0.53 2.45 115.11 122.46 2jua h GLN 38 Ca -0.07 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.17 2jua h GLN 38 Cb 0.86 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 2jua h GLN 38 CO 0.00 0.00 -0.88 -0.97 -1.93 0.00 0.00 178.83 175.06 2jua h ASN 39 N 0.00 0.00 0.09 -0.69 -0.73 0.17 -3.08 115.58 111.35 2jua h ASN 39 Ca 0.71 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.88 2jua h ASN 39 Cb 2.86 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.45 2jua h ASN 39 CO -0.01 0.88 -0.05 0.58 -0.37 0.00 0.00 177.43 178.46 2jua h VAL 40 N 0.00 0.48 -1.02 2.57 2.07 0.57 -3.23 116.25 117.69 2jua h VAL 40 Ca -0.01 -1.20 0.32 0.00 0.82 0.00 0.00 66.70 66.63 2jua h VAL 40 Cb 1.56 0.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.06 2jua h VAL 40 CO 0.11 0.15 0.59 0.40 0.02 0.00 0.00 177.57 178.85 2jua h ILE 41 N -1.00 0.31 -0.16 4.57 2.04 -1.18 2.94 117.51 125.04 2jua h ILE 41 Ca -0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.78 2jua h ILE 41 Cb 0.34 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2jua h ILE 41 CO 0.02 0.06 0.12 -0.08 0.00 0.00 0.00 178.15 178.28 2jua h GLU 42 N 0.33 0.00 -0.13 2.37 4.81 -1.58 -0.91 114.58 119.47 2jua h GLU 42 Ca 0.73 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.88 2jua h GLU 42 Cb 1.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.07 2jua h GLU 42 CO -0.57 0.00 -0.24 0.22 -0.73 0.00 0.00 179.01 177.69 2jua h ASP 43 N 0.00 0.44 -0.04 1.04 1.82 0.53 -2.73 116.42 117.47 2jua h ASP 43 Ca 0.08 -0.54 0.02 0.00 -0.39 0.00 0.00 57.03 56.20 2jua h ASP 43 Cb 0.32 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 2jua h ASP 43 CO -0.00 0.90 -0.11 0.40 -1.61 0.00 0.00 179.24 178.82 2jua h ILE 44 N -0.01 0.71 -0.72 2.25 2.04 -0.78 0.24 117.51 121.23 2jua h ILE 44 Ca 0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.08 2jua h ILE 44 Cb 0.82 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2jua h ILE 44 CO 0.05 0.00 0.54 -0.74 0.00 0.00 0.00 178.15 178.00 2jua h HIS 45 N -0.17 0.00 -0.00 1.37 2.76 -1.33 1.88 115.15 119.66 2jua h HIS 45 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2jua h HIS 45 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2jua h HIS 45 CO -0.19 0.00 -0.12 -0.25 -1.30 0.00 0.00 177.93 176.07 2jua n ASP 46 N -4.23 0.54 0.11 3.26 9.92 0.69 -3.46 116.55 123.38 2jua n ASP 46 Ca 0.14 -0.64 0.05 0.00 -0.53 0.00 0.00 54.79 53.81 2jua n ASP 46 Cb 0.81 -0.05 0.01 0.00 -0.64 0.00 0.00 41.12 41.25 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2jua h PHE 47 N 0.67 0.00 -0.00 1.24 3.04 0.44 0.22 116.94 122.54 2jua h PHE 47 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jua h PHE 47 Cb 0.37 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.88 2jua h PHE 47 CO 0.00 0.34 -0.09 -1.33 -2.02 0.00 0.00 178.31 175.21 2jua n MET 48 N -2.99 0.81 0.00 1.11 0.00 -1.16 -4.10 117.12 110.79 2jua n MET 48 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.41 2jua n MET 48 Cb 0.70 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.42 2jua n MET 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jua n GLN 49 N -0.85 0.39 0.00 0.03 -0.00 -1.21 -4.62 117.38 111.12 2jua n GLN 49 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.16 2jua n GLN 49 Cb 0.27 -0.90 0.00 0.00 -0.00 0.00 0.00 30.24 29.61 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 3.01 -0.02 4.61 2.61 0.00 0.76 -4.69 105.19 111.46 2jua n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.86 1.19 0.00 -0.02 0.00 -1.26 -3.55 105.19 100.69 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 3.24 -0.02 0.00 -1.26 -5.02 105.19 102.14 2jua n GLY 52 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.67 0.03 1.61 7.64 -1.23 -4.70 113.62 120.63 2jua n SER 53 Ca 0.00 -2.79 0.01 0.00 1.01 0.00 0.00 58.87 57.10 2jua n SER 53 Cb 0.00 -1.57 0.06 0.00 -1.01 0.00 0.00 64.21 61.69 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 4.94 -0.33 0.10 0.23 0.00 -1.26 0.14 105.19 109.01 2jua n GLY 54 Ca 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.28 103.07 99.76 2jua h GLY 55 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2jua h GLY 55 CO 0.00 0.00 -0.55 1.70 0.00 0.00 0.00 176.54 177.69 2jua h LYS 56 N 0.00 0.00 0.37 4.80 1.63 0.83 -3.29 116.57 120.90 2jua h LYS 56 Ca -0.13 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 2jua h LYS 56 Cb 1.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 2jua h LYS 56 CO 0.05 0.55 -0.18 1.25 -3.45 0.00 0.00 179.45 177.68 2jua h LEU 57 N 0.00 -0.42 0.00 5.20 6.46 -1.62 -2.59 115.31 122.34 2jua h LEU 57 Ca -0.01 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2jua h LEU 57 Cb 1.28 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.32 2jua h LEU 57 CO 0.07 0.03 0.18 0.00 -0.62 0.00 0.00 178.44 178.10 2jua n GLN 58 N -5.11 0.00 -0.03 1.25 1.13 -1.24 -0.80 117.38 112.58 2jua n GLN 58 Ca -0.07 0.15 -0.01 0.00 -1.94 0.00 0.00 57.00 55.12 2jua n GLN 58 Cb 0.23 -1.68 -0.01 0.00 0.11 0.00 0.00 30.24 28.90 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 -0.04 0.00 -1.09 4.57 -1.53 -3.28 114.58 113.21 2jua h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jua h GLU 59 Cb 0.35 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2jua h GLU 59 CO 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 2jua h MET 60 N -1.01 0.00 -0.73 1.92 -0.00 -0.99 -2.81 114.93 111.31 2jua h MET 60 Ca -0.00 0.00 0.16 0.00 -0.00 0.00 0.00 59.70 59.86 2jua h MET 60 Cb 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 31.56 2jua h MET 60 CO 0.01 0.00 0.09 1.98 -0.00 0.00 0.00 176.91 178.98 2jua h MET 61 N 0.00 0.17 -0.85 -0.10 1.85 -1.41 0.89 114.93 115.48 2jua h MET 61 Ca 0.00 -0.01 0.15 0.00 -0.61 0.00 0.00 59.70 59.23 2jua h MET 61 Cb 0.26 -0.04 -0.09 0.00 0.43 0.00 0.00 31.60 32.15 2jua h MET 61 CO 0.00 0.11 0.44 0.87 -0.40 0.00 0.00 176.91 177.93 2jua h LYS 62 N 0.17 0.61 0.02 0.39 1.57 -1.65 0.85 116.57 118.53 2jua h LYS 62 Ca 0.41 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.95 2jua h LYS 62 Cb 0.71 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.90 2jua h LYS 62 CO -0.58 0.40 -0.80 0.93 -0.57 0.00 0.00 179.45 178.84 2jua h GLU 63 N 0.62 0.50 -0.09 3.15 5.08 -0.12 -2.43 114.58 121.30 2jua h GLU 63 Ca 0.46 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jua h GLU 63 Cb 0.65 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2jua h GLU 63 CO -0.36 1.20 0.05 0.35 -1.00 0.00 0.00 179.01 179.25 2jua h PHE 64 N 0.05 0.13 0.00 4.33 3.04 0.16 -1.44 116.94 123.21 2jua h PHE 64 Ca -0.10 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.84 2jua h PHE 64 Cb 1.50 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.96 2jua h PHE 64 CO 0.14 0.17 0.00 0.94 -2.02 0.00 0.00 178.31 177.54 2jua n GLN 65 N -4.97 0.76 -0.02 1.11 0.00 0.28 -2.41 117.38 112.13 2jua n GLN 65 Ca -0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.79 2jua n GLN 65 Cb 0.07 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.68 2jua n GLN 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jua n GLN 66 N -1.02 0.71 -0.01 3.69 1.13 -0.59 -4.22 117.38 117.07 2jua n GLN 66 Ca 0.18 0.25 -0.17 0.00 -1.94 0.00 0.00 57.00 55.33 2jua n GLN 66 Cb 0.09 -1.72 -0.13 0.00 0.11 0.00 0.00 30.24 28.60 2jua n GLN 66 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2jua h VAL 67 N 0.04 1.61 -0.77 5.09 2.07 -1.29 -2.70 116.25 120.30 2jua h VAL 67 Ca -0.39 -2.34 0.15 0.00 0.82 0.00 0.00 66.70 64.93 2jua h VAL 67 Cb 2.03 3.15 -0.14 0.00 -1.52 0.00 0.00 31.29 34.81 2jua h VAL 67 CO 0.07 0.64 -0.20 -0.11 0.02 0.00 0.00 177.57 177.99 2jua n LEU 68 N -4.36 -0.29 0.07 2.57 -0.00 -1.01 0.12 117.00 114.10 2jua n LEU 68 Ca -0.12 1.32 -0.13 0.00 -0.00 0.00 0.00 56.01 57.08 2jua n LEU 68 Cb 0.65 -0.39 -0.14 0.00 -0.00 0.00 0.00 43.42 43.54 2jua n LEU 68 CO 0.42 -1.26 -0.11 -0.78 -0.00 0.00 0.00 177.39 175.67 2jua h ASP 69 N 0.00 0.27 0.75 1.96 1.82 -1.73 -2.97 116.42 116.52 2jua h ASP 69 Ca 0.36 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 2jua h ASP 69 Cb 0.55 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 2jua h ASP 69 CO -0.79 1.26 -0.50 -0.08 -1.61 0.00 0.00 179.24 177.53 2jua h GLU 70 N 0.05 -1.13 -0.94 0.28 4.57 0.13 -2.06 114.58 115.47 2jua h GLU 70 Ca -0.14 0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2jua h GLU 70 Cb 1.93 0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 30.72 2jua h GLU 70 CO 0.16 -0.76 0.62 0.82 -1.18 0.00 0.00 179.01 178.67 2jua h ILE 71 N -1.18 1.14 -1.01 2.32 2.04 -1.02 0.33 117.51 120.13 2jua h ILE 71 Ca -0.10 -0.40 0.26 0.00 1.00 0.00 0.00 64.86 65.63 2jua h ILE 71 Cb 0.95 -0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 2jua h ILE 71 CO 0.08 0.21 0.68 0.50 0.00 0.00 0.00 178.15 179.62 2jua h LYS 72 N 1.15 0.28 -0.60 2.37 3.64 -1.26 0.72 116.57 122.87 2jua h LYS 72 Ca 0.38 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.65 2jua h LYS 72 Cb 0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2jua h LYS 72 CO -0.13 0.18 -0.02 0.37 -2.27 0.00 0.00 179.45 177.59 2jua h GLN 73 N 0.28 1.07 -0.74 1.90 4.15 -0.25 -2.40 115.11 119.13 2jua h GLN 73 Ca 0.54 -0.35 0.18 0.00 0.77 0.00 0.00 58.65 59.79 2jua h GLN 73 Cb 1.57 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 29.13 2jua h GLN 73 CO -0.18 1.05 0.51 0.37 -1.93 0.00 0.00 178.83 178.65 2jua h GLN 74 N 0.97 0.19 -0.52 1.69 5.75 0.51 0.21 115.11 123.92 2jua h GLN 74 Ca 0.17 -0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.80 2jua h GLN 74 Cb 0.58 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 2jua h GLN 74 CO 0.03 0.13 0.37 -0.07 -2.65 0.00 0.00 178.83 176.64 2jua h LEU 75 N 0.20 0.06 -1.14 -2.39 -0.00 -1.25 0.49 115.31 111.27 2jua h LEU 75 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 2jua h LEU 75 Cb 1.14 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2jua h LEU 75 CO -0.07 0.03 0.48 -0.61 -0.00 0.00 0.00 178.44 178.27 2jua h GLN 76 N 0.06 0.00 0.00 1.13 4.15 -0.71 -3.40 115.11 116.35 2jua h GLN 76 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2jua h GLN 76 Cb 0.90 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2jua h GLN 76 CO -0.02 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.29 2jua n GLY 77 N -1.29 1.76 1.83 2.39 0.00 0.16 -4.96 105.19 105.09 2jua n GLY 77 Ca -0.01 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.27 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 5.00 3.05 1.85 -0.02 0.00 -1.26 -4.64 105.19 109.16 2jua n GLY 78 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 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 0.38 2.21 0.09 1.61 9.92 -1.26 -4.34 116.55 125.17 2jua n ASP 79 Ca 0.29 -1.62 0.04 0.00 -0.53 0.00 0.00 54.79 52.97 2jua n ASP 79 Cb 1.18 -0.48 0.20 0.00 -0.64 0.00 0.00 41.12 41.39 2jua n ASP 79 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2jua n ASN 80 N 1.90 0.19 0.08 -2.24 0.23 -1.26 0.60 115.26 114.76 2jua n ASN 80 Ca 0.02 0.44 -0.22 0.00 -0.53 0.00 0.00 54.58 54.29 2jua n ASN 80 Cb 0.23 -0.41 -0.15 0.00 -2.08 0.00 0.00 39.78 37.37 2jua n ASN 80 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2jua h SER 81 N 0.00 0.60 -0.80 0.53 0.02 -1.85 -3.22 113.55 108.83 2jua h SER 81 Ca 0.00 -0.92 0.09 0.00 -0.84 0.00 0.00 61.79 60.12 2jua h SER 81 Cb 0.53 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2jua h SER 81 CO 0.00 1.61 0.52 -0.07 -1.14 0.00 0.00 176.83 177.75 2jua h LEU 82 N -0.12 0.67 -1.71 5.07 4.07 -0.03 0.48 115.31 123.75 2jua h LEU 82 Ca -0.25 0.02 0.36 0.00 0.08 0.00 0.00 57.88 58.09 2jua h LEU 82 Cb 1.91 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 43.47 2jua h LEU 82 CO 0.18 0.41 1.05 -0.74 -1.08 0.00 0.00 178.44 178.26 2jua h HIS 83 N 0.75 0.00 0.04 1.13 2.76 -1.49 3.18 115.15 121.53 2jua h HIS 83 Ca 0.36 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 58.19 2jua h HIS 83 Cb 0.42 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.33 2jua h HIS 83 CO -0.00 0.00 -2.07 0.09 -1.30 0.00 0.00 177.93 174.65 2jua n ASN 84 N -3.75 1.34 -0.08 3.26 4.13 0.16 -3.97 115.26 116.35 2jua n ASN 84 Ca 0.27 0.17 -0.17 0.00 1.68 0.00 0.00 54.58 56.53 2jua n ASN 84 Cb 1.44 -0.20 -0.13 0.00 -1.54 0.00 0.00 39.78 39.36 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2jua h VAL 85 N 0.02 1.50 0.00 2.41 2.07 0.21 -3.26 116.25 119.21 2jua h VAL 85 Ca -0.43 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.79 2jua h VAL 85 Cb 2.04 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 34.82 2jua h VAL 85 CO 0.04 0.51 0.34 -0.74 0.02 0.00 0.00 177.57 177.74 2jua h HIS 86 N -1.00 0.00 0.00 1.57 -0.00 0.50 1.30 115.15 117.52 2jua h HIS 86 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2jua h HIS 86 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2jua h HIS 86 CO 0.22 0.00 -0.12 0.39 -0.00 0.00 0.00 177.93 178.41 2jua n GLU 87 N -2.47 0.23 0.08 5.26 -0.58 -1.23 -3.95 120.64 117.99 2jua n GLU 87 Ca -0.01 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.85 2jua n GLU 87 Cb 0.37 -1.74 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 2jua n GLU 87 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2jua h ASN 88 N 0.00 -0.22 -0.89 1.62 2.35 0.16 -3.21 115.58 115.40 2jua h ASN 88 Ca 0.00 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 55.90 2jua h ASN 88 Cb 0.71 0.06 -0.14 0.00 0.05 0.00 0.00 38.32 38.99 2jua h ASN 88 CO 0.00 0.05 -0.34 -0.38 -1.65 0.00 0.00 177.43 175.10 2jua n ILE 89 N -3.81 -0.47 -0.24 2.81 5.41 -1.25 0.22 119.36 122.04 2jua n ILE 89 Ca -0.03 2.08 -0.08 0.00 1.00 0.00 0.00 62.75 65.72 2jua n ILE 89 Cb 0.10 -2.76 -0.07 0.00 -0.71 0.00 0.00 39.64 36.20 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 -0.08 -0.05 0.38 3.64 -1.68 2.76 116.57 121.53 2jua h LYS 90 Ca 0.31 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2jua h LYS 90 Cb 0.54 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2jua h LYS 90 CO -0.89 -0.05 -0.21 1.49 -2.27 0.00 0.00 179.45 177.52 2jua h GLU 91 N -0.08 0.24 0.51 1.90 4.81 -0.60 -2.64 114.58 118.71 2jua h GLU 91 Ca 0.09 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2jua h GLU 91 Cb 0.33 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2jua h GLU 91 CO -0.59 0.82 -0.41 0.82 -0.73 0.00 0.00 179.01 178.92 2jua h ILE 92 N -0.29 0.00 -0.92 2.32 1.08 0.34 0.11 117.51 120.15 2jua h ILE 92 Ca -0.01 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.68 2jua h ILE 92 Cb 0.85 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.54 2jua h ILE 92 CO 0.04 0.00 0.61 0.15 -0.69 0.00 0.00 178.15 178.27 2jua h PHE 93 N -0.89 0.46 -0.07 1.37 3.57 0.48 1.32 116.94 123.17 2jua h PHE 93 Ca -0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2jua h PHE 93 Cb 0.74 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2jua h PHE 93 CO -0.16 0.11 0.00 0.72 -2.23 0.00 0.00 178.31 176.75 2jua n HIS 94 N -4.48 0.09 -0.02 0.41 8.25 -0.78 -3.54 115.22 115.14 2jua n HIS 94 Ca 0.20 -0.04 -0.10 0.00 -0.26 0.00 0.00 57.72 57.51 2jua n HIS 94 Cb 0.77 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.74 2jua n HIS 94 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jua n HIS 95 N -0.14 0.97 0.18 4.41 8.25 0.45 -3.83 115.22 125.51 2jua n HIS 95 Ca 0.17 0.33 -0.11 0.00 -0.26 0.00 0.00 57.72 57.85 2jua n HIS 95 Cb 0.25 -1.17 -0.06 0.00 1.12 0.00 0.00 29.99 30.12 2jua n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jua h LEU 96 N 0.01 -0.43 0.00 2.41 6.46 -1.56 -1.88 115.31 120.32 2jua h LEU 96 Ca -0.32 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2jua h LEU 96 Cb 2.03 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 2jua h LEU 96 CO 0.08 0.00 0.12 1.21 -0.62 0.00 0.00 178.44 179.23 2jua n GLU 97 N -5.13 0.00 0.00 1.25 0.00 -1.25 0.11 120.64 115.61 2jua n GLU 97 Ca -0.09 0.19 -0.15 0.00 0.00 0.00 0.00 57.16 57.11 2jua n GLU 97 Cb 0.27 -1.62 -0.14 0.00 0.00 0.00 0.00 31.44 29.95 2jua n GLU 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2jua h GLU 98 N 0.00 0.14 0.00 5.31 4.57 -1.45 -1.43 114.58 121.72 2jua h GLU 98 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2jua h GLU 98 Cb 0.24 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2jua h GLU 98 CO 0.00 0.88 0.00 1.28 -1.18 0.00 0.00 179.01 179.99 2jua n LEU 99 N -3.28 0.00 -0.02 1.64 4.77 0.29 -3.37 117.00 117.03 2jua n LEU 99 Ca -0.23 0.09 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 2jua n LEU 99 Cb 1.05 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 42.03 2jua n LEU 99 CO 0.45 -0.02 -0.61 1.33 -1.33 0.00 0.00 177.39 177.21 2jua n VAL 100 N -1.09 0.21 0.02 4.08 0.24 -1.15 -4.59 118.33 116.05 2jua n VAL 100 Ca 0.17 -0.09 0.22 0.00 -2.04 0.00 0.00 64.34 62.60 2jua n VAL 100 Cb 0.12 -0.72 0.64 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.01 6.34 6.17 -1.26 -3.51 115.15 122.88 2jua h HIS 101 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.00 2jua h HIS 101 Cb 1.14 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.07 2jua h HIS 101 CO 0.00 0.00 0.00 2.89 0.71 0.00 0.00 177.93 181.53