#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 1.06 -0.96 -0.43 0.00 -1.26 -4.99 121.76 115.19 1c6o s ALA 2 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 1c6o s ALA 2 Cb 0.00 -1.12 0.08 0.00 0.00 0.00 0.00 23.12 22.07 1c6o s ALA 2 CO 0.00 -1.03 1.31 0.34 0.00 0.00 0.00 175.76 176.39 1c6o s ASP 3 N 1.83 6.51 0.38 0.00 2.15 -1.26 -4.81 116.67 121.47 1c6o s ASP 3 Ca -0.00 -1.58 0.28 0.00 0.43 0.00 0.00 52.55 51.68 1c6o s ASP 3 Cb -0.16 -2.51 1.15 0.00 -0.30 0.00 0.00 42.92 41.10 1c6o s ASP 3 CO -0.07 -1.37 1.83 -0.07 -0.17 0.00 0.00 175.17 175.31 1c6o h LEU 4 N 11.95 0.00 -0.02 -1.34 3.38 -1.97 0.24 115.31 127.54 1c6o h LEU 4 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1c6o h LEU 4 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1c6o h LEU 4 CO 1.30 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 179.71 1c6o h ALA 5 N 2.16 0.04 -0.55 1.53 0.00 -1.95 0.47 119.26 120.96 1c6o h ALA 5 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1c6o h ALA 5 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1c6o h ALA 5 CO 0.00 -0.03 0.14 1.25 0.00 0.00 0.00 179.25 180.61 1c6o h LEU 6 N -0.52 0.78 0.06 0.00 5.85 -1.87 -1.78 115.31 117.84 1c6o h LEU 6 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1c6o h LEU 6 Cb 0.81 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1c6o h LEU 6 CO 0.03 0.77 -0.08 1.23 -0.34 0.00 0.00 178.44 180.05 1c6o h GLY 7 N 0.97 -0.14 0.93 3.75 0.00 -0.30 -0.14 103.07 108.13 1c6o h GLY 7 Ca 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1c6o h GLY 7 CO -0.00 -0.08 0.13 1.70 0.00 0.00 0.00 176.54 178.29 1c6o h LYS 8 N -0.16 0.46 -0.30 4.80 3.64 0.23 0.01 116.57 125.25 1c6o h LYS 8 Ca 0.01 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1c6o h LYS 8 Cb 0.17 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1c6o h LYS 8 CO -0.03 0.46 -0.19 1.96 -2.27 0.00 0.00 179.45 179.38 1c6o h GLN 9 N 0.36 0.56 -0.44 1.90 1.08 -1.26 -0.49 115.11 116.82 1c6o h GLN 9 Ca 0.10 -0.19 -0.12 0.00 -1.45 0.00 0.00 58.65 57.00 1c6o h GLN 9 Cb 0.16 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1c6o h GLN 9 CO -0.01 0.71 -0.19 1.15 -0.95 0.00 0.00 178.83 179.55 1c6o h THR 10 N 0.50 1.27 -0.42 -0.54 2.02 -0.78 -1.38 112.91 113.59 1c6o h THR 10 Ca 0.08 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1c6o h THR 10 Cb 0.60 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1c6o h THR 10 CO 0.04 0.45 0.27 0.15 0.37 0.00 0.00 175.52 176.81 1c6o h PHE 11 N 0.73 0.54 -0.55 3.16 3.57 -0.57 -0.59 116.94 123.22 1c6o h PHE 11 Ca 0.10 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1c6o h PHE 11 Cb 0.75 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1c6o h PHE 11 CO 0.05 0.35 -0.06 0.93 -2.23 0.00 0.00 178.31 177.36 1c6o h GLU 12 N 0.57 1.00 0.00 1.11 5.08 -0.98 0.95 114.58 122.30 1c6o h GLU 12 Ca 0.15 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 1c6o h GLU 12 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1c6o h GLU 12 CO -0.03 1.01 -0.76 0.00 -1.00 0.00 0.00 179.01 178.23 1c6o h ALA 13 N 1.02 0.72 0.00 3.43 0.00 -1.05 -3.37 119.26 120.02 1c6o h ALA 13 Ca 0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1c6o h ALA 13 Cb 0.60 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1c6o h ALA 13 CO 0.04 0.95 -1.07 0.09 0.00 0.00 0.00 179.25 179.26 1c6o n ASN 14 N -3.60 4.73 -0.06 0.00 4.13 -0.25 -4.88 115.26 115.33 1c6o n ASN 14 Ca -0.01 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 1c6o n ASN 14 Cb 0.75 0.58 -0.13 0.00 -1.54 0.00 0.00 39.78 39.44 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 0.93 2.24 -0.86 0.00 0.00 -1.36 0.11 119.26 120.31 1c6o h ALA 16 Ca -0.35 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.75 1c6o h ALA 16 Cb 1.75 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 1c6o h ALA 16 CO 0.02 -0.41 0.58 0.00 0.00 0.00 0.00 179.25 179.44 1c6o h ALA 17 N 1.69 2.28 0.00 0.00 0.00 -1.83 -1.61 119.26 119.78 1c6o h ALA 17 Ca 0.31 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1c6o h ALA 17 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1c6o h ALA 17 CO -0.07 -0.54 -0.71 0.00 0.00 0.00 0.00 179.25 177.92 1c6o n HIS 19 N -1.37 0.00 -1.68 0.00 8.25 0.29 -2.00 115.22 118.70 1c6o n HIS 19 Ca -0.00 -1.23 -0.45 0.00 -0.26 0.00 0.00 57.72 55.78 1c6o n HIS 19 Cb 0.04 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.07 1.42 -1.03 -1.41 0.00 -0.62 -1.29 120.51 116.51 1c6o n ALA 20 Ca 0.17 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 54.02 1c6o n ALA 20 Cb 0.71 -2.33 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.76 0.46 2.01 0.00 0.00 -1.26 -2.74 105.19 106.41 1c6o n GLY 21 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.04 0.44 0.00 -0.02 0.00 -0.41 -4.84 105.19 98.32 1c6o n GLY 22 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.13 0.00 -3.50 1.61 3.02 -1.11 0.04 115.26 116.46 1c6o n ASN 23 Ca -0.00 -0.90 -0.19 0.00 -0.03 0.00 0.00 54.58 53.45 1c6o n ASN 23 Cb 0.01 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.56 0.23 6.41 3.84 -1.25 -4.20 114.94 120.52 1c6o s ASN 24 Ca 0.00 -0.32 0.26 0.00 0.21 0.00 0.00 52.86 53.00 1c6o s ASN 24 Cb 0.00 0.30 0.77 0.00 -0.55 0.00 0.00 41.25 41.77 1c6o s ASN 24 CO 0.00 -0.34 1.76 0.77 -2.79 0.00 0.00 177.10 176.51 1c6o h SER 25 N 8.32 0.00 0.00 -4.21 4.64 -1.76 -2.97 113.55 117.57 1c6o h SER 25 Ca -0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1c6o h SER 25 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1c6o h SER 25 CO 0.29 0.00 -0.76 0.58 -0.87 0.00 0.00 176.83 176.07 1c6o h VAL 26 N 0.00 0.31 -3.37 0.95 2.07 -1.96 -3.42 116.25 110.83 1c6o h VAL 26 Ca 0.00 -1.41 -0.64 0.00 0.82 0.00 0.00 66.70 65.48 1c6o h VAL 26 Cb 0.75 0.76 -0.41 0.00 -1.52 0.00 0.00 31.29 30.88 1c6o h VAL 26 CO 0.00 0.11 -0.64 -0.63 0.02 0.00 0.00 177.57 176.42 1c6o s ILE 27 N -2.27 2.48 0.30 4.57 -1.09 -1.26 -5.01 121.20 118.92 1c6o s ILE 27 Ca -0.19 -3.21 0.19 0.00 -2.23 0.00 0.00 60.65 55.21 1c6o s ILE 27 Cb 0.03 -2.73 0.31 0.00 -1.58 0.00 0.00 42.46 38.49 1c6o s ILE 27 CO 0.34 -0.79 1.17 -2.65 -1.23 0.00 0.00 174.94 171.78 1c6o n PRO 28 N 3.21 -0.04 0.00 2.79 -0.02 -1.12 -1.39 135.00 138.43 1c6o n PRO 28 Ca 0.05 0.99 0.12 0.00 -2.02 0.00 0.00 63.50 62.64 1c6o n PRO 28 Cb 0.33 -1.85 0.28 0.00 -0.02 0.00 0.00 33.50 32.25 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 -4.46 0.57 -3.65 2.55 5.75 -1.26 -4.42 116.55 111.63 1c6o n ASP 29 Ca 0.29 -0.34 -0.41 0.00 -0.01 0.00 0.00 54.79 54.32 1c6o n ASP 29 Cb 1.05 0.21 0.01 0.00 -1.03 0.00 0.00 41.12 41.36 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 -1.36 2.65 -1.88 2.11 8.25 -0.48 -4.87 115.22 119.64 1c6o n HIS 30 Ca 0.07 -2.71 -0.30 0.00 -0.26 0.00 0.00 57.72 54.52 1c6o n HIS 30 Cb 0.34 -1.59 0.18 0.00 1.12 0.00 0.00 29.99 30.04 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 -2.07 1.98 -0.37 1.59 -4.23 -1.26 -4.58 115.64 106.69 1c6o s THR 31 Ca 0.44 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.01 1c6o s THR 31 Cb 0.16 -2.97 0.59 0.00 1.34 0.00 0.00 72.50 71.61 1c6o s THR 31 CO -0.06 0.00 1.69 0.18 -0.54 0.00 0.00 174.62 175.89 1c6o n LEU 32 N -3.80 5.76 -4.94 4.79 4.77 0.11 -4.41 117.00 119.28 1c6o n LEU 32 Ca 0.15 -3.03 -0.24 0.00 -0.03 0.00 0.00 56.01 52.86 1c6o n LEU 32 Cb 0.59 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1c6o n LEU 32 CO 0.46 0.84 0.16 -0.13 -1.33 0.00 0.00 177.39 177.39 1c6o s ARG 33 N -2.64 3.50 0.12 3.23 0.52 -1.26 -4.46 118.95 117.96 1c6o s ARG 33 Ca 0.46 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.05 1c6o s ARG 33 Cb 0.38 -2.68 -0.09 0.00 0.52 0.00 0.00 34.95 33.08 1c6o s ARG 33 CO 0.10 0.18 1.58 -0.22 0.02 0.00 0.00 175.30 176.96 1c6o h LYS 34 N 0.95 -0.55 -0.33 3.54 3.64 -1.92 -2.31 116.57 119.58 1c6o h LYS 34 Ca -0.49 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1c6o h LYS 34 Cb 1.21 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 33.09 1c6o h LYS 34 CO 0.62 -0.37 -0.13 0.00 -2.27 0.00 0.00 179.45 177.30 1c6o h ALA 35 N -0.08 0.14 -0.29 5.00 0.00 -1.95 0.10 119.26 122.18 1c6o h ALA 35 Ca 0.05 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1c6o h ALA 35 Cb 0.66 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1c6o h ALA 35 CO -0.35 -0.51 0.06 0.00 0.00 0.00 0.00 179.25 178.45 1c6o h ALA 36 N 1.21 0.31 -0.62 0.00 0.00 -1.85 -1.83 119.26 116.49 1c6o h ALA 36 Ca 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1c6o h ALA 36 Cb 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1c6o h ALA 36 CO -0.38 -0.35 0.23 0.52 0.00 0.00 0.00 179.25 179.28 1c6o h MET 37 N 0.17 0.94 -0.40 0.00 2.07 -0.82 0.29 114.93 117.18 1c6o h MET 37 Ca 0.14 -0.18 0.06 0.00 -2.07 0.00 0.00 59.70 57.65 1c6o h MET 37 Cb 0.14 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 29.70 1c6o h MET 37 CO -0.17 0.81 0.27 0.93 1.07 0.00 0.00 176.91 179.82 1c6o h GLU 38 N 0.88 0.27 0.15 1.72 5.08 -0.37 -0.58 114.58 121.73 1c6o h GLU 38 Ca 0.21 -0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 58.20 1c6o h GLU 38 Cb 0.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1c6o h GLU 38 CO -0.01 0.18 -1.78 0.37 -1.00 0.00 0.00 179.01 176.77 1c6o h GLN 39 N 0.28 0.33 0.00 2.33 4.15 -0.49 -3.43 115.11 118.27 1c6o h GLN 39 Ca 0.18 -0.56 -0.06 0.00 0.77 0.00 0.00 58.65 58.98 1c6o h GLN 39 Cb 0.35 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1c6o h GLN 39 CO -0.04 1.23 -1.62 1.19 -1.93 0.00 0.00 178.83 177.67 1c6o n PHE 40 N -3.52 0.00 -2.43 3.99 3.72 0.93 -4.99 117.46 115.16 1c6o n PHE 40 Ca -0.25 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.72 1c6o n PHE 40 Cb 1.06 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 39.22 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 -4.12 4.22 -0.14 4.37 2.96 -0.25 -4.97 118.68 120.77 1c6o s LEU 41 Ca -0.05 1.75 -0.29 0.00 -0.22 0.00 0.00 54.13 55.32 1c6o s LEU 41 Cb 0.07 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1c6o s LEU 41 CO 0.50 -0.69 1.67 -1.58 -1.32 0.00 0.00 176.35 174.92 1c6o s GLN 42 N 2.99 3.96 0.00 1.98 0.74 -1.26 -2.03 119.66 126.04 1c6o s GLN 42 Ca 0.55 1.95 0.00 0.00 0.05 0.00 0.00 55.36 57.91 1c6o s GLN 42 Cb -0.23 -4.03 0.00 0.00 1.10 0.00 0.00 33.01 29.85 1c6o s GLN 42 CO 0.18 -1.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.22 1c6o n GLY 43 N 4.45 0.97 0.00 2.59 0.00 -1.26 -4.75 105.19 107.18 1c6o n GLY 43 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.75 0.26 3.50 -0.02 0.00 -0.86 -4.75 105.19 102.57 1c6o n GLY 44 Ca 0.00 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.59 2.79 0.23 1.61 5.36 -1.26 -4.59 117.98 120.53 1c6o s PHE 45 Ca 0.00 -0.99 -0.20 0.00 -0.96 0.00 0.00 56.93 54.78 1c6o s PHE 45 Cb 0.00 -4.47 0.03 0.00 -0.34 0.00 0.00 43.02 38.25 1c6o s PHE 45 CO 0.00 -1.72 0.63 0.54 -1.46 0.00 0.00 175.22 173.21 1c6o s ASN 46 N 4.16 -0.33 0.39 6.13 2.20 -1.26 -5.04 114.94 121.19 1c6o s ASN 46 Ca 0.37 -0.44 0.07 0.00 -0.94 0.00 0.00 52.86 51.92 1c6o s ASN 46 Cb -0.05 0.66 0.79 0.00 -2.00 0.00 0.00 41.25 40.65 1c6o s ASN 46 CO -0.06 -1.17 1.98 0.25 -2.94 0.00 0.00 177.10 175.16 1c6o h LEU 47 N 2.06 0.40 -0.22 3.54 5.85 -1.94 -2.75 115.31 122.25 1c6o h LEU 47 Ca -0.25 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1c6o h LEU 47 Cb 1.27 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1c6o h LEU 47 CO 0.31 0.39 0.12 -0.33 -0.34 0.00 0.00 178.44 178.59 1c6o h GLU 48 N 0.45 0.31 -0.12 1.25 4.39 -1.96 -1.23 114.58 117.66 1c6o h GLU 48 Ca 0.11 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1c6o h GLU 48 Cb 0.14 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1c6o h GLU 48 CO -0.01 0.30 0.07 0.00 -1.16 0.00 0.00 179.01 178.21 1c6o h ALA 49 N 0.99 0.16 -0.16 3.43 0.00 -1.75 -0.95 119.26 120.98 1c6o h ALA 49 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1c6o h ALA 49 Cb 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1c6o h ALA 49 CO -0.01 -0.32 0.06 0.82 0.00 0.00 0.00 179.25 179.79 1c6o h ILE 50 N 0.13 0.97 -0.57 0.00 2.04 -1.46 -1.72 117.51 116.90 1c6o h ILE 50 Ca 0.04 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1c6o h ILE 50 Cb 0.04 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1c6o h ILE 50 CO -0.01 0.03 0.37 0.74 0.00 0.00 0.00 178.15 179.28 1c6o h THR 51 N 0.14 1.15 -0.59 -0.27 2.02 -1.07 -0.94 112.91 113.35 1c6o h THR 51 Ca 0.07 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1c6o h THR 51 Cb 0.04 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1c6o h THR 51 CO -0.07 0.15 0.39 0.22 0.37 0.00 0.00 175.52 176.58 1c6o h TYR 52 N 0.78 0.73 -0.64 3.16 3.20 -0.90 -1.00 116.97 122.30 1c6o h TYR 52 Ca 0.21 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 1c6o h TYR 52 Cb -0.08 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 1c6o h TYR 52 CO -0.03 0.46 0.04 0.37 -1.64 0.00 0.00 178.16 177.36 1c6o h GLN 53 N 0.79 1.09 -0.53 1.82 4.15 -0.85 -0.60 115.11 120.98 1c6o h GLN 53 Ca 0.22 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 1c6o h GLN 53 Cb -0.08 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1c6o h GLN 53 CO -0.05 1.04 0.24 0.28 -1.93 0.00 0.00 178.83 178.40 1c6o h VAL 54 N 1.00 1.21 -0.27 2.39 2.07 -0.92 0.91 116.25 122.64 1c6o h VAL 54 Ca 0.19 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1c6o h VAL 54 Cb 0.52 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1c6o h VAL 54 CO 0.02 0.24 0.03 -0.33 0.02 0.00 0.00 177.57 177.55 1c6o h GLU 55 N 0.72 0.46 0.00 1.57 5.08 -1.04 0.21 114.58 121.58 1c6o h GLU 55 Ca 0.18 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1c6o h GLU 55 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1c6o h GLU 55 CO -0.02 0.60 -1.19 0.09 -1.00 0.00 0.00 179.01 177.48 1c6o n ASN 56 N -4.64 0.78 -0.34 1.42 3.02 -0.25 -2.69 115.26 112.57 1c6o n ASN 56 Ca -0.03 -0.73 0.05 0.00 -0.03 0.00 0.00 54.58 53.84 1c6o n ASN 56 Cb 0.22 1.24 -0.01 0.00 -0.61 0.00 0.00 39.78 40.62 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 1.44 -1.59 3.15 7.41 0.00 0.31 -4.38 105.19 111.53 1c6o n GLY 57 Ca 0.02 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.54 0.33 7.14 1.61 2.47 -0.40 -4.83 119.74 124.52 1c6o s LYS 58 Ca 0.00 0.57 0.00 0.00 -1.56 0.00 0.00 55.97 54.98 1c6o s LYS 58 Cb 0.00 0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.69 1c6o s LYS 58 CO 0.00 -0.36 0.00 0.41 0.16 0.00 0.00 175.35 175.56 1c6o n GLY 59 N 5.46 2.96 0.05 5.54 0.00 -1.26 -1.11 105.19 116.82 1c6o n GLY 59 Ca -0.05 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 11.31 2.37 -2.69 4.61 0.00 -1.26 -4.73 120.51 130.12 1c6o n ALA 60 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1c6o n ALA 60 Cb 0.00 -1.45 -0.03 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 -3.05 4.42 0.87 0.00 0.00 -0.27 -5.04 119.30 116.22 1c6o s MET 61 Ca 0.12 1.19 -0.11 0.00 0.00 0.00 0.00 55.69 56.88 1c6o s MET 61 Cb 0.16 -3.52 0.11 0.00 0.00 0.00 0.00 34.83 31.58 1c6o s MET 61 CO 0.57 -0.19 1.09 -1.25 0.00 0.00 0.00 175.02 175.25 1c6o s PRO 62 N 1.62 1.49 0.07 4.11 0.04 -1.26 -1.28 135.00 139.79 1c6o s PRO 62 Ca 0.44 0.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.12 1c6o s PRO 62 Cb -0.18 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1c6o s PRO 62 CO 0.18 -2.07 0.46 0.00 0.04 0.00 0.00 177.00 175.62 1c6o s ALA 63 N -2.99 3.66 -1.19 8.56 0.00 -1.26 -3.75 121.76 124.78 1c6o s ALA 63 Ca 0.63 -0.21 0.14 0.00 0.00 0.00 0.00 51.96 52.51 1c6o s ALA 63 Cb -0.17 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1c6o s ALA 63 CO 0.56 0.49 0.75 0.91 0.00 0.00 0.00 175.76 178.47 1c6o n TRP 64 N 1.24 0.00 -1.80 0.00 7.02 0.74 -4.90 117.44 119.74 1c6o n TRP 64 Ca -0.09 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.98 1c6o n TRP 64 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1c6o n TRP 64 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1c6o s SER 65 N -1.81 6.25 0.00 -0.99 0.01 -1.09 -0.72 113.70 115.34 1c6o s SER 65 Ca 0.11 3.04 0.00 0.00 1.31 0.00 0.00 55.95 60.40 1c6o s SER 65 Cb 0.11 -2.67 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1c6o s SER 65 CO 0.39 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1c6o n GLY 66 N 0.47 0.54 0.63 3.44 0.00 -1.26 -4.67 105.19 104.35 1c6o n GLY 66 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1c6o n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c6o n THR 67 N -2.27 0.00 -4.13 2.61 -1.04 -0.23 -5.05 114.28 104.17 1c6o n THR 67 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1c6o n THR 67 Cb 0.07 -1.04 -0.05 0.00 -1.82 0.00 0.00 70.33 67.49 1c6o n THR 67 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1c6o s LEU 68 N -5.50 3.75 0.40 -4.42 1.43 0.10 -5.12 118.68 109.32 1c6o s LEU 68 Ca 0.00 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1c6o s LEU 68 Cb 0.00 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1c6o s LEU 68 CO 0.00 -0.03 0.58 1.51 0.23 0.00 0.00 176.35 178.64 1c6o s ASP 69 N -3.80 5.88 0.51 2.29 1.47 -1.26 -4.73 116.67 117.03 1c6o s ASP 69 Ca 0.33 0.07 0.23 0.00 1.18 0.00 0.00 52.55 54.35 1c6o s ASP 69 Cb -0.08 -1.38 1.31 0.00 -0.34 0.00 0.00 42.92 42.43 1c6o s ASP 69 CO 0.24 -0.59 1.99 -2.24 0.68 0.00 0.00 175.17 175.25 1c6o h ASP 70 N 0.61 0.09 -0.27 2.11 2.03 -1.99 0.17 116.42 119.17 1c6o h ASP 70 Ca -0.46 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.75 1c6o h ASP 70 Cb 1.26 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1c6o h ASP 70 CO 0.55 0.05 -0.22 0.44 -1.03 0.00 0.00 179.24 179.03 1c6o h ASP 71 N 0.10 0.66 -0.27 4.15 3.32 -1.98 0.32 116.42 122.72 1c6o h ASP 71 Ca 0.26 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 1c6o h ASP 71 Cb 0.92 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1c6o h ASP 71 CO -0.03 0.98 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.04 1c6o h GLU 72 N 0.36 0.54 -0.81 3.56 5.08 -1.47 0.97 114.58 122.80 1c6o h GLU 72 Ca 0.05 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1c6o h GLU 72 Cb 0.77 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1c6o h GLU 72 CO 0.06 0.77 0.36 0.82 -1.00 0.00 0.00 179.01 180.02 1c6o h ILE 73 N 0.29 1.26 -0.24 3.13 2.04 -0.73 -0.42 117.51 122.83 1c6o h ILE 73 Ca 0.06 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 1c6o h ILE 73 Cb 0.59 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1c6o h ILE 73 CO 0.03 0.32 -0.07 0.00 0.00 0.00 0.00 178.15 178.43 1c6o h ALA 74 N 1.23 0.33 -0.39 1.87 0.00 -0.67 -2.13 119.26 119.49 1c6o h ALA 74 Ca 0.27 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1c6o h ALA 74 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1c6o h ALA 74 CO -0.03 0.13 0.01 0.00 0.00 0.00 0.00 179.25 179.37 1c6o h ALA 75 N 0.75 0.53 -0.32 0.00 0.00 -0.58 -1.63 119.26 118.00 1c6o h ALA 75 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1c6o h ALA 75 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1c6o h ALA 75 CO 0.03 0.29 -0.13 -0.24 0.00 0.00 0.00 179.25 179.20 1c6o h VAL 76 N 0.51 1.24 -0.38 0.00 3.04 -1.12 -0.31 116.25 119.24 1c6o h VAL 76 Ca 0.11 -1.07 -0.05 0.00 -1.01 0.00 0.00 66.70 64.69 1c6o h VAL 76 Cb 0.46 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 1c6o h VAL 76 CO 0.02 0.35 0.06 0.00 -1.01 0.00 0.00 177.57 176.99 1c6o h ALA 77 N 1.35 0.50 -0.78 3.17 0.00 -1.24 -1.03 119.26 121.24 1c6o h ALA 77 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1c6o h ALA 77 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1c6o h ALA 77 CO 0.03 0.21 0.29 0.00 0.00 0.00 0.00 179.25 179.78 1c6o h ALA 78 N 0.91 1.03 0.21 0.00 0.00 -0.82 0.12 119.26 120.73 1c6o h ALA 78 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1c6o h ALA 78 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1c6o h ALA 78 CO 0.01 0.67 -0.10 -0.92 0.00 0.00 0.00 179.25 178.90 1c6o h TYR 79 N 1.14 -0.26 -0.63 0.00 3.20 -0.87 0.21 116.97 119.76 1c6o h TYR 79 Ca 0.26 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.16 1c6o h TYR 79 Cb 0.25 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1c6o h TYR 79 CO 0.02 -0.10 0.37 0.28 -1.64 0.00 0.00 178.16 177.09 1c6o h VAL 80 N -0.38 1.02 -0.42 1.81 2.07 -1.02 0.23 116.25 119.56 1c6o h VAL 80 Ca -0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1c6o h VAL 80 Cb 0.29 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1c6o h VAL 80 CO 0.05 0.13 0.18 0.22 0.02 0.00 0.00 177.57 178.16 1c6o h TYR 81 N 0.71 0.64 -0.46 1.57 3.20 -0.82 -1.26 116.97 120.54 1c6o h TYR 81 Ca 0.27 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 1c6o h TYR 81 Cb 0.10 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1c6o h TYR 81 CO -0.07 0.55 -0.20 0.22 -1.64 0.00 0.00 178.16 177.02 1c6o h ASP 82 N 0.54 0.95 -0.42 -2.11 3.58 -0.18 -0.26 116.42 118.52 1c6o h ASP 82 Ca 0.14 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.21 1c6o h ASP 82 Cb 0.17 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1c6o h ASP 82 CO -0.01 1.12 0.11 1.56 -2.88 0.00 0.00 179.24 179.13 1c6o h GLN 83 N 0.81 0.68 0.30 0.28 1.08 -0.89 -1.76 115.11 115.61 1c6o h GLN 83 Ca 0.11 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1c6o h GLN 83 Cb 0.76 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1c6o h GLN 83 CO 0.06 0.68 -0.14 0.00 -0.95 0.00 0.00 178.83 178.48 1c6o h ALA 84 N 0.96 -0.40 -0.23 3.87 0.00 -1.12 0.23 119.26 122.57 1c6o h ALA 84 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1c6o h ALA 84 Cb 0.30 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1c6o h ALA 84 CO 0.00 -0.59 0.06 0.66 0.00 0.00 0.00 179.25 179.39 1c6o h SER 85 N -0.68 0.28 -0.19 0.00 4.64 -1.08 -2.26 113.55 114.25 1c6o h SER 85 Ca -0.04 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1c6o h SER 85 Cb 0.47 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1c6o h SER 85 CO 0.07 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1c6o n GLY 86 N -1.26 0.45 3.82 -0.77 0.00 -0.66 -4.92 105.19 101.85 1c6o n GLY 86 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 0.45 -3.65 -0.84 1.61 9.92 -0.70 -4.89 116.55 118.45 1c6o n ASP 87 Ca 0.16 -0.78 0.12 0.00 -0.53 0.00 0.00 54.79 53.77 1c6o n ASP 87 Cb 0.36 -4.02 0.27 0.00 -0.64 0.00 0.00 41.12 37.08 1c6o n ASP 87 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1c6o n LYS 88 N -4.57 2.13 0.00 -1.24 5.02 -0.01 -5.05 118.16 114.44 1c6o n LYS 88 Ca -0.08 -1.68 0.10 0.00 -2.02 0.00 0.00 58.31 54.63 1c6o n LYS 88 Cb 0.58 -1.47 0.60 0.00 -0.02 0.00 0.00 35.03 34.73 1c6o n LYS 88 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79