#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c6o s ALA 2 N 0.00 3.28 -0.19 -1.46 0.00 -1.26 -5.00 121.76 117.12 1c6o s ALA 2 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1c6o s ALA 2 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1c6o s ALA 2 CO 0.00 -0.13 1.70 0.34 0.00 0.00 0.00 175.76 177.67 1c6o s ASP 3 N 0.80 6.30 0.44 0.00 2.15 -1.26 -4.90 116.67 120.20 1c6o s ASP 3 Ca 0.43 1.75 0.30 0.00 0.43 0.00 0.00 52.55 55.45 1c6o s ASP 3 Cb -0.19 -2.53 1.20 0.00 -0.30 0.00 0.00 42.92 41.10 1c6o s ASP 3 CO 0.22 -1.30 1.88 -0.07 -0.17 0.00 0.00 175.17 175.72 1c6o h LEU 4 N 11.89 0.00 -0.05 -1.34 3.38 -1.94 -1.07 115.31 126.18 1c6o h LEU 4 Ca -0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1c6o h LEU 4 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1c6o h LEU 4 CO 0.99 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 179.37 1c6o h ALA 5 N 2.11 0.08 -0.59 1.53 0.00 -1.95 -1.24 119.26 119.20 1c6o h ALA 5 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1c6o h ALA 5 Cb 0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1c6o h ALA 5 CO 0.00 0.01 0.31 1.25 0.00 0.00 0.00 179.25 180.82 1c6o h LEU 6 N -0.36 0.72 -0.49 0.00 5.85 -1.86 -1.81 115.31 117.36 1c6o h LEU 6 Ca -0.01 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1c6o h LEU 6 Cb 0.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1c6o h LEU 6 CO 0.03 0.59 0.22 1.23 -0.34 0.00 0.00 178.44 180.18 1c6o h GLY 7 N 0.89 0.76 0.91 3.75 0.00 -1.12 -1.03 103.07 107.23 1c6o h GLY 7 Ca 0.21 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1c6o h GLY 7 CO -0.03 0.37 0.04 1.70 0.00 0.00 0.00 176.54 178.62 1c6o h LYS 8 N 0.65 0.58 -0.28 4.80 3.64 -0.56 -1.53 116.57 123.87 1c6o h LYS 8 Ca 0.17 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1c6o h LYS 8 Cb 0.14 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1c6o h LYS 8 CO -0.02 0.67 -0.26 1.96 -2.27 0.00 0.00 179.45 179.54 1c6o h GLN 9 N 0.41 0.54 -0.46 1.90 1.08 -1.32 -1.60 115.11 115.67 1c6o h GLN 9 Ca 0.10 -0.21 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 1c6o h GLN 9 Cb 0.39 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1c6o h GLN 9 CO 0.01 0.75 -0.13 1.15 -0.95 0.00 0.00 178.83 179.66 1c6o h THR 10 N 0.47 1.27 -0.43 -0.54 2.02 -1.13 -1.86 112.91 112.72 1c6o h THR 10 Ca 0.07 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1c6o h THR 10 Cb 0.70 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1c6o h THR 10 CO 0.05 0.43 0.17 0.15 0.37 0.00 0.00 175.52 176.69 1c6o h PHE 11 N 0.73 0.65 -0.48 3.16 3.57 -1.08 -1.21 116.94 122.29 1c6o h PHE 11 Ca 0.11 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1c6o h PHE 11 Cb 0.68 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1c6o h PHE 11 CO 0.05 0.57 0.09 0.93 -2.23 0.00 0.00 178.31 177.72 1c6o h GLU 12 N 0.54 0.78 -0.37 1.11 5.08 -1.21 0.33 114.58 120.85 1c6o h GLU 12 Ca 0.14 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1c6o h GLU 12 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1c6o h GLU 12 CO -0.01 0.78 -0.35 0.00 -1.00 0.00 0.00 179.01 178.44 1c6o h ALA 13 N 0.97 0.69 0.00 3.43 0.00 -1.22 -3.34 119.26 119.78 1c6o h ALA 13 Ca 0.15 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1c6o h ALA 13 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1c6o h ALA 13 CO 0.01 0.67 -1.49 0.09 0.00 0.00 0.00 179.25 178.52 1c6o n ASN 14 N -4.06 2.94 -0.03 0.00 4.13 -0.47 -4.85 115.26 112.92 1c6o n ASN 14 Ca -0.01 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.24 1c6o n ASN 14 Cb 0.51 1.06 -0.07 0.00 -1.54 0.00 0.00 39.78 39.74 1c6o n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c6o h ALA 16 N 0.59 2.28 -0.82 0.00 0.00 -1.26 -0.48 119.26 119.57 1c6o h ALA 16 Ca -0.14 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1c6o h ALA 16 Cb 1.10 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 1c6o h ALA 16 CO 0.01 -0.51 0.31 0.00 0.00 0.00 0.00 179.25 179.06 1c6o h ALA 17 N 1.64 1.21 0.00 0.00 0.00 -1.82 -1.23 119.26 119.05 1c6o h ALA 17 Ca 0.39 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1c6o h ALA 17 Cb 1.07 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1c6o h ALA 17 CO -0.11 -0.30 -1.08 0.00 0.00 0.00 0.00 179.25 177.76 1c6o n HIS 19 N -1.62 0.00 -1.71 0.00 8.25 -0.24 -2.06 115.22 117.85 1c6o n HIS 19 Ca -0.00 -1.38 -0.43 0.00 -0.26 0.00 0.00 57.72 55.65 1c6o n HIS 19 Cb 0.24 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 1c6o n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c6o n ALA 20 N -0.99 2.11 -1.54 -1.41 0.00 -0.48 -1.29 120.51 116.90 1c6o n ALA 20 Ca 0.18 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.91 1c6o n ALA 20 Cb 0.73 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1c6o n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c6o n GLY 21 N 2.80 0.87 2.39 0.00 0.00 -1.26 -2.41 105.19 107.58 1c6o n GLY 21 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 1c6o n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6o n GLY 22 N -1.51 0.36 0.00 -0.02 0.00 -0.41 -4.87 105.19 98.73 1c6o n GLY 22 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1c6o n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c6o n ASN 23 N -0.31 0.00 -3.41 1.61 3.02 -1.01 0.12 115.26 115.28 1c6o n ASN 23 Ca -0.01 -0.61 -0.15 0.00 -0.03 0.00 0.00 54.58 53.78 1c6o n ASN 23 Cb 0.21 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.28 1c6o n ASN 23 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1c6o s ASN 24 N -1.00 1.24 0.21 6.41 3.84 -1.25 -4.25 114.94 120.13 1c6o s ASN 24 Ca 0.00 -0.41 0.24 0.00 0.21 0.00 0.00 52.86 52.91 1c6o s ASN 24 Cb 0.00 0.63 0.91 0.00 -0.55 0.00 0.00 41.25 42.24 1c6o s ASN 24 CO 0.00 -0.35 1.73 -1.54 -2.79 0.00 0.00 177.10 174.15 1c6o n SER 25 N 5.33 0.63 -0.07 -4.21 3.41 -0.87 -2.27 113.62 115.57 1c6o n SER 25 Ca -0.03 0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 59.14 1c6o n SER 25 Cb 0.48 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1c6o n SER 25 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1c6o n VAL 26 N -2.15 1.32 -3.87 -3.33 0.31 -1.26 -4.70 118.33 104.65 1c6o n VAL 26 Ca 0.04 0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 64.28 1c6o n VAL 26 Cb 0.31 -2.31 -0.12 0.00 -0.91 0.00 0.00 33.84 30.81 1c6o n VAL 26 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1c6o s ILE 27 N -2.29 3.02 0.16 2.52 1.01 -1.26 -5.00 121.20 119.36 1c6o s ILE 27 Ca -0.17 -3.63 0.03 0.00 0.00 0.00 0.00 60.65 56.88 1c6o s ILE 27 Cb 0.02 -3.01 0.20 0.00 0.01 0.00 0.00 42.46 39.68 1c6o s ILE 27 CO 0.25 -0.90 0.77 -2.65 0.00 0.00 0.00 174.94 172.41 1c6o n PRO 28 N 2.72 -0.04 0.02 2.79 -0.02 -0.96 -0.03 135.00 139.49 1c6o n PRO 28 Ca 0.12 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.45 1c6o n PRO 28 Cb 0.34 -1.18 0.43 0.00 -0.02 0.00 0.00 33.50 33.07 1c6o n PRO 28 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1c6o n ASP 29 N -4.45 0.33 -3.54 2.55 5.75 -1.26 -4.25 116.55 111.68 1c6o n ASP 29 Ca 0.13 0.23 -0.40 0.00 -0.01 0.00 0.00 54.79 54.74 1c6o n ASP 29 Cb 0.44 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1c6o n ASP 29 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1c6o n HIS 30 N -1.66 2.65 -1.93 2.11 8.25 0.96 -4.87 115.22 120.73 1c6o n HIS 30 Ca 0.06 -2.83 -0.30 0.00 -0.26 0.00 0.00 57.72 54.39 1c6o n HIS 30 Cb 0.36 -1.90 0.19 0.00 1.12 0.00 0.00 29.99 29.77 1c6o n HIS 30 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1c6o s THR 31 N -0.67 2.00 -0.38 1.59 -4.23 -1.26 -4.56 115.64 108.13 1c6o s THR 31 Ca 0.52 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 1c6o s THR 31 Cb 0.17 -3.00 0.54 0.00 1.34 0.00 0.00 72.50 71.55 1c6o s THR 31 CO -0.08 0.00 1.77 0.18 -0.54 0.00 0.00 174.62 175.96 1c6o n LEU 32 N -3.80 6.15 -4.93 4.79 4.77 0.12 -4.38 117.00 119.72 1c6o n LEU 32 Ca 0.16 -3.28 -0.28 0.00 -0.03 0.00 0.00 56.01 52.58 1c6o n LEU 32 Cb 0.59 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1c6o n LEU 32 CO 0.45 0.98 -0.04 -0.13 -1.33 0.00 0.00 177.39 177.31 1c6o s ARG 33 N -2.74 3.48 0.18 3.23 0.52 -1.26 -4.45 118.95 117.91 1c6o s ARG 33 Ca 0.47 -0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 55.09 1c6o s ARG 33 Cb 0.40 -2.91 0.14 0.00 0.52 0.00 0.00 34.95 33.09 1c6o s ARG 33 CO 0.08 0.48 1.69 1.57 0.02 0.00 0.00 175.30 179.15 1c6o h LYS 34 N 2.24 0.11 -0.08 3.54 2.10 -1.92 -1.42 116.57 121.15 1c6o h LYS 34 Ca -0.48 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.19 1c6o h LYS 34 Cb 1.19 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 1c6o h LYS 34 CO 0.70 0.07 -0.08 0.00 -2.00 0.00 0.00 179.45 178.14 1c6o h ALA 35 N 1.39 -0.01 -0.05 0.07 0.00 -1.95 0.23 119.26 118.93 1c6o h ALA 35 Ca 0.22 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1c6o h ALA 35 Cb 0.32 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1c6o h ALA 35 CO -0.36 -0.55 -0.19 0.00 0.00 0.00 0.00 179.25 178.16 1c6o h ALA 36 N 0.96 -0.19 -0.71 0.00 0.00 -1.82 -1.57 119.26 115.93 1c6o h ALA 36 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1c6o h ALA 36 Cb 0.18 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1c6o h ALA 36 CO -0.14 -0.67 0.39 0.52 0.00 0.00 0.00 179.25 179.35 1c6o h MET 37 N -0.28 0.98 -0.85 0.00 2.86 -0.85 0.23 114.93 117.03 1c6o h MET 37 Ca 0.07 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1c6o h MET 37 Cb 0.38 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1c6o h MET 37 CO -0.21 0.72 0.53 0.93 1.06 0.00 0.00 176.91 179.94 1c6o h GLU 38 N 0.99 0.95 0.09 1.72 5.08 0.16 -1.04 114.58 122.53 1c6o h GLU 38 Ca 0.25 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1c6o h GLU 38 Cb 0.02 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.07 1c6o h GLU 38 CO -0.04 0.63 -0.61 0.37 -1.00 0.00 0.00 179.01 178.36 1c6o h GLN 39 N 0.98 0.26 0.00 2.33 4.15 -0.36 -3.42 115.11 119.04 1c6o h GLN 39 Ca 0.36 -0.40 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1c6o h GLN 39 Cb 0.13 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1c6o h GLN 39 CO -0.16 1.16 -1.91 1.19 -1.93 0.00 0.00 178.83 177.18 1c6o n PHE 40 N -4.25 0.00 -2.75 3.99 3.72 0.72 -4.97 117.46 113.93 1c6o n PHE 40 Ca -0.12 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 1c6o n PHE 40 Cb 0.72 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1c6o n PHE 40 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1c6o s LEU 41 N -4.44 4.27 -0.00 4.37 2.96 -0.40 -4.99 118.68 120.46 1c6o s LEU 41 Ca -0.07 1.48 -0.30 0.00 -0.22 0.00 0.00 54.13 55.02 1c6o s LEU 41 Cb 0.11 -3.48 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 1c6o s LEU 41 CO 0.78 -0.38 1.94 -1.58 -1.32 0.00 0.00 176.35 175.79 1c6o s GLN 42 N 1.72 4.06 0.00 1.98 0.74 -1.26 -1.12 119.66 125.78 1c6o s GLN 42 Ca 0.47 2.49 0.00 0.00 0.05 0.00 0.00 55.36 58.37 1c6o s GLN 42 Cb -0.19 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 29.77 1c6o s GLN 42 CO 0.19 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.31 1c6o n GLY 43 N 4.58 0.85 0.00 2.59 0.00 -1.26 -4.77 105.19 107.18 1c6o n GLY 43 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1c6o n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6o n GLY 44 N -1.39 -1.14 3.55 -0.02 0.00 -0.28 -4.75 105.19 101.16 1c6o n GLY 44 Ca 0.00 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1c6o n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c6o s PHE 45 N -1.42 2.09 0.11 1.61 5.36 -1.26 -4.63 117.98 119.84 1c6o s PHE 45 Ca 0.00 0.16 -0.25 0.00 -0.96 0.00 0.00 56.93 55.88 1c6o s PHE 45 Cb 0.00 -4.43 0.08 0.00 -0.34 0.00 0.00 43.02 38.32 1c6o s PHE 45 CO 0.00 -2.11 0.66 0.54 -1.46 0.00 0.00 175.22 172.85 1c6o s ASN 46 N 5.50 -0.54 0.25 6.13 2.20 -1.26 -5.02 114.94 122.20 1c6o s ASN 46 Ca 0.48 0.08 -0.03 0.00 -0.94 0.00 0.00 52.86 52.45 1c6o s ASN 46 Cb -0.08 0.56 0.42 0.00 -2.00 0.00 0.00 41.25 40.15 1c6o s ASN 46 CO 0.13 -0.87 1.81 0.25 -2.94 0.00 0.00 177.10 175.48 1c6o h LEU 47 N 2.11 0.70 -0.69 3.54 5.85 -1.93 -2.78 115.31 122.11 1c6o h LEU 47 Ca -0.31 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1c6o h LEU 47 Cb 1.28 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1c6o h LEU 47 CO 0.37 0.39 0.03 -0.33 -0.34 0.00 0.00 178.44 178.56 1c6o h GLU 48 N 0.81 1.04 -0.60 1.25 3.07 -1.97 -1.39 114.58 116.79 1c6o h GLU 48 Ca 0.41 -0.31 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1c6o h GLU 48 Cb 0.39 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1c6o h GLU 48 CO -0.25 1.00 0.21 0.00 -1.40 0.00 0.00 179.01 178.57 1c6o h ALA 49 N 1.06 0.78 -0.31 3.43 0.00 -1.76 -1.52 119.26 120.94 1c6o h ALA 49 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1c6o h ALA 49 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1c6o h ALA 49 CO 0.02 0.42 0.13 0.82 0.00 0.00 0.00 179.25 180.64 1c6o h ILE 50 N 0.84 1.18 -0.79 0.00 2.04 -1.29 -2.41 117.51 117.08 1c6o h ILE 50 Ca 0.20 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1c6o h ILE 50 Cb 0.24 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1c6o h ILE 50 CO -0.01 0.19 0.52 0.74 0.00 0.00 0.00 178.15 179.58 1c6o h THR 51 N 0.36 1.19 -0.44 -0.27 2.02 -1.00 -1.94 112.91 112.83 1c6o h THR 51 Ca 0.10 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1c6o h THR 51 Cb 0.17 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1c6o h THR 51 CO -0.01 0.19 0.19 0.22 0.37 0.00 0.00 175.52 176.48 1c6o h TYR 52 N 1.05 0.66 -0.38 3.16 3.20 -1.08 -0.26 116.97 123.31 1c6o h TYR 52 Ca 0.29 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 1c6o h TYR 52 Cb -0.10 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1c6o h TYR 52 CO -0.02 0.56 -0.13 0.37 -1.64 0.00 0.00 178.16 177.30 1c6o h GLN 53 N 0.57 0.68 -0.36 1.82 4.15 -1.20 -0.03 115.11 120.74 1c6o h GLN 53 Ca 0.15 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1c6o h GLN 53 Cb 0.17 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1c6o h GLN 53 CO -0.01 0.79 -0.06 0.28 -1.93 0.00 0.00 178.83 177.90 1c6o h VAL 54 N 0.62 1.27 -0.32 2.39 2.07 -1.04 0.62 116.25 121.86 1c6o h VAL 54 Ca 0.11 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1c6o h VAL 54 Cb 0.58 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1c6o h VAL 54 CO 0.04 0.36 0.04 -0.33 0.02 0.00 0.00 177.57 177.70 1c6o h GLU 55 N 0.48 0.53 0.00 1.57 5.08 -0.84 -0.47 114.58 120.93 1c6o h GLU 55 Ca 0.10 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1c6o h GLU 55 Cb 0.55 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1c6o h GLU 55 CO 0.03 0.63 -1.78 0.09 -1.00 0.00 0.00 179.01 176.98 1c6o n ASN 56 N -4.60 0.21 0.00 1.42 3.02 -0.04 -2.79 115.26 112.48 1c6o n ASN 56 Ca -0.02 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1c6o n ASN 56 Cb 0.22 1.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.94 1c6o n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c6o n GLY 57 N 1.27 -0.99 3.29 7.41 0.00 0.21 -4.38 105.19 112.00 1c6o n GLY 57 Ca -0.05 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.35 1c6o n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c6o s LYS 58 N -1.21 0.25 5.74 1.61 2.47 -0.22 -4.84 119.74 123.54 1c6o s LYS 58 Ca 0.00 0.56 0.00 0.00 -1.56 0.00 0.00 55.97 54.97 1c6o s LYS 58 Cb 0.00 0.33 0.00 0.00 -1.46 0.00 0.00 37.83 36.70 1c6o s LYS 58 CO 0.00 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 175.77 1c6o n GLY 59 N 5.10 3.28 0.08 5.54 0.00 -1.26 -0.10 105.19 117.83 1c6o n GLY 59 Ca -0.08 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1c6o n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c6o n ALA 60 N 11.62 2.15 -2.66 4.61 0.00 -1.26 -4.71 120.51 130.27 1c6o n ALA 60 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1c6o n ALA 60 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 1c6o n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1c6o s MET 61 N -3.11 4.24 1.01 0.00 0.00 0.86 -5.04 119.30 117.26 1c6o s MET 61 Ca 0.10 1.00 -0.12 0.00 0.00 0.00 0.00 55.69 56.67 1c6o s MET 61 Cb 0.13 -3.61 0.20 0.00 0.00 0.00 0.00 34.83 31.55 1c6o s MET 61 CO 0.53 -0.44 1.08 -1.25 0.00 0.00 0.00 175.02 174.94 1c6o s PRO 62 N 2.55 0.30 0.11 4.11 0.04 -1.26 -1.05 135.00 139.80 1c6o s PRO 62 Ca 0.37 0.91 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 1c6o s PRO 62 Cb -0.16 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1c6o s PRO 62 CO 0.09 -2.92 0.42 0.00 0.04 0.00 0.00 177.00 174.63 1c6o s ALA 63 N -2.72 3.71 -0.75 8.56 0.00 -1.26 -3.90 121.76 125.40 1c6o s ALA 63 Ca 0.66 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1c6o s ALA 63 Cb -0.21 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1c6o s ALA 63 CO 0.60 0.57 0.59 0.91 0.00 0.00 0.00 175.76 178.43 1c6o n TRP 64 N 0.61 0.00 -0.17 0.00 7.02 -0.18 -4.69 117.44 120.02 1c6o n TRP 64 Ca -0.06 0.00 0.29 0.00 -1.02 0.00 0.00 57.50 56.72 1c6o n TRP 64 Cb 0.52 0.00 0.72 0.00 -2.42 0.00 0.00 31.31 30.13 1c6o n TRP 64 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1c6o h SER 65 N 1.00 0.00 0.00 -0.99 0.02 -1.71 0.74 113.55 112.61 1c6o h SER 65 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1c6o h SER 65 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1c6o h SER 65 CO 0.00 0.00 -0.19 1.23 -1.14 0.00 0.00 176.83 176.73 1c6o h GLY 66 N 0.00 0.00 0.23 -3.77 0.00 -1.89 -3.40 103.07 94.24 1c6o h GLY 66 Ca 0.43 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.94 1c6o h GLY 66 CO -0.00 0.00 0.61 -0.84 0.00 0.00 0.00 176.54 176.31 1c6o h THR 67 N -0.98 0.74 -3.53 4.70 2.02 -1.63 -3.43 112.91 110.81 1c6o h THR 67 Ca 0.00 -0.25 -0.67 0.00 0.77 0.00 0.00 66.41 66.27 1c6o h THR 67 Cb 0.19 -0.05 -0.19 0.00 -1.74 0.00 0.00 68.15 66.37 1c6o h THR 67 CO 0.00 0.13 -0.81 -0.76 0.37 0.00 0.00 175.52 174.45 1c6o s LEU 68 N -10.08 2.59 0.59 2.58 1.43 0.17 -5.14 118.68 110.83 1c6o s LEU 68 Ca -0.11 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1c6o s LEU 68 Cb 0.24 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 45.10 1c6o s LEU 68 CO 0.80 0.15 0.84 1.51 0.23 0.00 0.00 176.35 179.89 1c6o s ASP 69 N -2.36 5.19 0.35 2.29 1.47 -1.26 -4.61 116.67 117.74 1c6o s ASP 69 Ca 0.19 0.17 0.09 0.00 1.18 0.00 0.00 52.55 54.18 1c6o s ASP 69 Cb -0.10 -1.01 0.82 0.00 -0.34 0.00 0.00 42.92 42.29 1c6o s ASP 69 CO 0.10 -1.25 1.86 0.44 0.68 0.00 0.00 175.17 177.00 1c6o h ASP 70 N -0.11 0.66 -0.26 2.11 5.19 -1.98 0.43 116.42 122.46 1c6o h ASP 70 Ca -0.43 0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 55.86 1c6o h ASP 70 Cb 1.30 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 1c6o h ASP 70 CO 0.55 0.32 -0.44 0.44 -3.12 0.00 0.00 179.24 176.99 1c6o h ASP 71 N 0.69 0.88 -0.26 6.45 3.32 -1.98 -0.09 116.42 125.43 1c6o h ASP 71 Ca 0.47 -0.42 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1c6o h ASP 71 Cb 0.76 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1c6o h ASP 71 CO -0.22 1.19 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.77 1c6o h GLU 72 N 0.66 0.80 -0.24 3.56 5.08 -1.72 0.73 114.58 123.45 1c6o h GLU 72 Ca 0.04 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1c6o h GLU 72 Cb 1.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1c6o h GLU 72 CO 0.10 1.05 0.00 0.82 -1.00 0.00 0.00 179.01 179.98 1c6o h ILE 73 N 0.66 1.25 -0.40 3.13 2.04 -0.82 0.16 117.51 123.53 1c6o h ILE 73 Ca 0.05 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1c6o h ILE 73 Cb 0.96 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1c6o h ILE 73 CO 0.09 0.28 0.26 0.00 0.00 0.00 0.00 178.15 178.78 1c6o h ALA 74 N 0.81 0.50 -0.38 1.87 0.00 -0.89 -1.01 119.26 120.16 1c6o h ALA 74 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1c6o h ALA 74 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1c6o h ALA 74 CO 0.01 -0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.38 1c6o h ALA 75 N 1.14 0.50 -0.20 0.00 0.00 -0.72 -1.44 119.26 118.54 1c6o h ALA 75 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1c6o h ALA 75 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1c6o h ALA 75 CO -0.03 0.11 -0.36 -0.24 0.00 0.00 0.00 179.25 178.73 1c6o h VAL 76 N 0.48 1.29 -0.52 0.00 3.04 -0.82 -1.19 116.25 118.54 1c6o h VAL 76 Ca 0.13 -1.46 -0.05 0.00 -1.01 0.00 0.00 66.70 64.30 1c6o h VAL 76 Cb 0.20 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 1c6o h VAL 76 CO -0.01 0.45 0.14 0.00 -1.01 0.00 0.00 177.57 177.14 1c6o h ALA 77 N 1.25 0.69 -0.59 3.17 0.00 -0.97 -1.43 119.26 121.37 1c6o h ALA 77 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1c6o h ALA 77 Cb 0.81 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1c6o h ALA 77 CO 0.07 0.37 0.27 0.00 0.00 0.00 0.00 179.25 179.96 1c6o h ALA 78 N 1.01 0.76 -0.00 0.00 0.00 -0.90 -0.04 119.26 120.08 1c6o h ALA 78 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c6o h ALA 78 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1c6o h ALA 78 CO 0.00 0.34 0.00 -0.92 0.00 0.00 0.00 179.25 178.67 1c6o h TYR 79 N 0.80 0.00 -0.54 0.00 3.20 -1.05 0.63 116.97 120.01 1c6o h TYR 79 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1c6o h TYR 79 Cb 0.14 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1c6o h TYR 79 CO 0.00 0.06 0.34 0.28 -1.64 0.00 0.00 178.16 177.20 1c6o h VAL 80 N -0.05 1.16 -0.44 1.81 2.07 -1.15 -1.18 116.25 118.46 1c6o h VAL 80 Ca 0.00 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1c6o h VAL 80 Cb 0.06 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1c6o h VAL 80 CO -0.00 0.16 0.27 0.22 0.02 0.00 0.00 177.57 178.24 1c6o h TYR 81 N 0.73 0.51 -0.53 1.57 3.20 -0.68 -1.02 116.97 120.75 1c6o h TYR 81 Ca 0.20 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 1c6o h TYR 81 Cb -0.04 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1c6o h TYR 81 CO -0.03 0.30 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.29 1c6o h ASP 82 N 0.55 0.94 -0.29 -2.11 3.32 -0.64 -0.57 116.42 117.62 1c6o h ASP 82 Ca 0.17 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1c6o h ASP 82 Cb -0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1c6o h ASP 82 CO -0.06 1.04 0.10 1.56 -1.72 0.00 0.00 179.24 180.15 1c6o h GLN 83 N 0.87 0.44 -0.18 3.56 1.08 -1.00 -1.59 115.11 118.28 1c6o h GLN 83 Ca 0.15 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1c6o h GLN 83 Cb 0.59 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1c6o h GLN 83 CO 0.04 0.49 -0.04 0.00 -0.95 0.00 0.00 178.83 178.37 1c6o h ALA 84 N 0.93 0.25 -0.76 3.87 0.00 -1.08 0.39 119.26 122.85 1c6o h ALA 84 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1c6o h ALA 84 Cb 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1c6o h ALA 84 CO -0.00 0.01 0.44 0.66 0.00 0.00 0.00 179.25 180.36 1c6o h SER 85 N 0.06 0.94 0.07 0.00 4.64 -1.05 -1.14 113.55 117.06 1c6o h SER 85 Ca 0.05 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1c6o h SER 85 Cb 0.48 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1c6o h SER 85 CO 0.02 0.75 -0.00 0.61 -0.87 0.00 0.00 176.83 177.33 1c6o n GLY 86 N -1.14 -0.98 2.84 -0.77 0.00 -0.60 -4.86 105.19 99.69 1c6o n GLY 86 Ca 0.07 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1c6o n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c6o n ASP 87 N -0.97 -5.77 0.00 1.61 8.00 -0.43 -4.87 116.55 114.12 1c6o n ASP 87 Ca 0.23 -0.19 0.09 0.00 0.71 0.00 0.00 54.79 55.62 1c6o n ASP 87 Cb 0.14 -4.72 0.54 0.00 -0.02 0.00 0.00 41.12 37.06 1c6o n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1c6o n LYS 88 N -3.66 0.77 0.00 -1.24 4.76 0.13 -5.00 118.16 113.91 1c6o n LYS 88 Ca -0.15 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.44 1c6o n LYS 88 Cb 0.63 -1.37 0.59 0.00 -1.84 0.00 0.00 35.03 33.05 1c6o n LYS 88 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94