#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aca n GLN 2 N 0.00 -2.56 0.00 1.43 0.00 -1.26 -4.94 117.38 110.05 1aca n GLN 2 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.00 57.02 1aca n GLN 2 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 30.24 30.38 1aca n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aca n ALA 3 N -0.16 1.72 0.06 2.61 0.00 -1.26 -2.71 120.51 120.77 1aca n ALA 3 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.42 1aca n ALA 3 Cb 0.00 -1.08 0.34 0.00 0.00 0.00 0.00 19.45 18.71 1aca n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1aca h GLU 4 N 0.00 0.39 -0.05 0.00 5.08 -1.99 0.14 114.58 118.15 1aca h GLU 4 Ca 0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1aca h GLU 4 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1aca h GLU 4 CO 0.00 0.47 -0.02 0.35 -1.00 0.00 0.00 179.01 178.82 1aca h PHE 5 N 0.37 0.12 -0.53 4.33 3.04 -1.91 0.61 116.94 122.98 1aca h PHE 5 Ca 0.08 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.02 1aca h PHE 5 Cb 0.36 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1aca h PHE 5 CO 0.01 0.46 0.33 -0.44 -2.02 0.00 0.00 178.31 176.65 1aca h ASP 6 N -0.25 0.54 -0.03 0.41 3.32 -1.45 0.42 116.42 119.38 1aca h ASP 6 Ca 0.01 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1aca h ASP 6 Cb 0.43 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1aca h ASP 6 CO 0.01 0.38 -0.28 0.50 -1.72 0.00 0.00 179.24 178.13 1aca h LYS 7 N 0.65 -0.39 -0.31 3.56 1.63 -0.65 0.39 116.57 121.44 1aca h LYS 7 Ca 0.21 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 60.10 1aca h LYS 7 Cb -0.01 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.63 1aca h LYS 7 CO -0.08 -0.26 -0.22 0.00 -3.45 0.00 0.00 179.45 175.44 1aca h ALA 8 N 0.40 -0.04 -0.99 5.00 0.00 0.93 0.16 119.26 124.73 1aca h ALA 8 Ca 0.07 0.10 0.29 0.00 0.00 0.00 0.00 54.91 55.37 1aca h ALA 8 Cb 0.51 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1aca h ALA 8 CO -0.26 -0.63 0.72 0.00 0.00 0.00 0.00 179.25 179.08 1aca h ALA 9 N 0.94 2.93 0.20 0.00 0.00 0.28 0.64 119.26 124.24 1aca h ALA 9 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1aca h ALA 9 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1aca h ALA 9 CO -0.42 -1.23 -0.09 0.93 0.00 0.00 0.00 179.25 178.44 1aca h GLU 10 N 0.00 -0.25 -0.37 0.00 5.08 0.20 -2.08 114.58 117.16 1aca h GLU 10 Ca 0.47 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.89 1aca h GLU 10 Cb 1.90 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 31.13 1aca h GLU 10 CO -0.00 -0.10 -0.55 0.93 -1.00 0.00 0.00 179.01 178.29 1aca h GLU 11 N -1.05 -0.40 -0.99 2.33 5.08 0.95 0.44 114.58 120.94 1aca h GLU 11 Ca -0.03 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1aca h GLU 11 Cb 0.27 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1aca h GLU 11 CO 0.04 -0.27 0.63 -0.24 -1.00 0.00 0.00 179.01 178.18 1aca h VAL 12 N -0.42 0.98 0.00 3.13 3.04 0.08 0.40 116.25 123.46 1aca h VAL 12 Ca 0.07 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1aca h VAL 12 Cb 0.60 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 1aca h VAL 12 CO -0.57 0.19 0.00 0.29 -1.01 0.00 0.00 177.57 176.47 1aca n LYS 13 N -4.56 0.05 -0.08 4.17 5.02 0.15 -0.50 118.16 122.41 1aca n LYS 13 Ca 0.17 0.29 0.07 0.00 -2.02 0.00 0.00 58.31 56.82 1aca n LYS 13 Cb 0.29 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.91 1aca n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1aca n HIS 14 N -1.34 0.21 -1.75 2.13 8.25 0.14 -4.92 115.22 117.94 1aca n HIS 14 Ca 0.02 -0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.11 1aca n HIS 14 Cb 0.04 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 1aca n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1aca s LEU 15 N -1.14 3.00 0.00 2.41 1.43 0.35 -4.46 118.68 120.26 1aca s LEU 15 Ca 0.22 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1aca s LEU 15 Cb 0.13 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1aca s LEU 15 CO 0.19 -3.42 0.00 0.29 0.23 0.00 0.00 176.35 173.64 1aca n LYS 16 N 8.85 0.00 -3.69 1.70 5.02 -1.22 -3.25 118.16 125.57 1aca n LYS 16 Ca 0.44 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.43 1aca n LYS 16 Cb 0.45 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.31 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1aca s THR 17 N -3.60 0.69 0.00 -0.18 2.01 -1.21 -5.05 115.64 108.30 1aca s THR 17 Ca 0.00 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.70 1aca s THR 17 Cb 0.00 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1aca s THR 17 CO 0.00 -0.70 0.00 2.29 -0.69 0.00 0.00 174.62 175.52 1aca n LYS 18 N 4.89 0.00 -0.85 4.92 2.85 -1.20 -4.75 118.16 124.03 1aca n LYS 18 Ca -0.02 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.89 1aca n LYS 18 Cb 0.42 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.90 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1aca n PRO 19 N 0.00 -0.40 -1.59 -1.58 -0.02 -1.26 -4.73 135.00 125.42 1aca n PRO 19 Ca 0.00 -0.09 -0.58 0.00 -2.02 0.00 0.00 63.50 60.81 1aca n PRO 19 Cb 0.00 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1aca n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aca n ALA 20 N -3.43 -2.02 -0.20 3.55 0.00 -1.26 -4.49 120.51 112.66 1aca n ALA 20 Ca 0.03 0.53 0.30 0.00 0.00 0.00 0.00 53.44 54.30 1aca n ALA 20 Cb 0.57 -1.95 0.66 0.00 0.00 0.00 0.00 19.45 18.74 1aca n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1aca h ASP 21 N 4.31 0.00 -0.07 0.00 3.32 -1.98 1.10 116.42 123.09 1aca h ASP 21 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1aca h ASP 21 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1aca h ASP 21 CO 0.77 0.00 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.69 1aca h GLU 22 N 0.00 0.31 0.00 3.56 3.07 -1.99 0.49 114.58 120.03 1aca h GLU 22 Ca 0.46 -0.24 -0.04 0.00 -0.50 0.00 0.00 59.36 59.04 1aca h GLU 22 Cb 2.26 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 30.21 1aca h GLU 22 CO -0.00 0.87 -0.21 0.93 -1.40 0.00 0.00 179.01 179.20 1aca h GLU 23 N -0.18 0.00 0.41 2.33 5.08 0.76 -1.19 114.58 121.79 1aca h GLU 23 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1aca h GLU 23 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1aca h GLU 23 CO 0.06 0.21 -0.20 0.52 -1.00 0.00 0.00 179.01 178.60 1aca h MET 24 N 0.00 -0.54 -0.66 2.33 2.86 -0.35 -0.31 114.93 118.26 1aca h MET 24 Ca -0.00 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1aca h MET 24 Cb 0.46 0.12 -0.10 0.00 0.06 0.00 0.00 31.60 32.15 1aca h MET 24 CO 0.03 -0.28 -0.31 1.28 1.06 0.00 0.00 176.91 178.69 1aca n LEU 25 N -5.15 -0.54 0.15 1.22 4.77 0.17 0.12 117.00 117.73 1aca n LEU 25 Ca -0.08 1.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.99 1aca n LEU 25 Cb 0.26 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1aca n LEU 25 CO 0.22 -1.01 0.51 0.15 -1.33 0.00 0.00 177.39 175.93 1aca h PHE 26 N 0.00 -0.60 -0.04 -1.77 3.04 -1.16 -0.51 116.94 115.90 1aca h PHE 26 Ca 0.18 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1aca h PHE 26 Cb 0.35 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 1aca h PHE 26 CO -0.62 -0.30 -0.13 0.82 -2.02 0.00 0.00 178.31 176.06 1aca h ILE 27 N -0.47 0.00 -0.96 1.41 1.08 0.15 0.11 117.51 118.83 1aca h ILE 27 Ca -0.03 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.53 1aca h ILE 27 Cb 0.39 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.02 1aca h ILE 27 CO -0.00 0.00 -0.56 0.00 -0.69 0.00 0.00 178.15 176.90 1aca n TYR 28 N -3.24 -0.39 0.22 1.37 9.36 0.32 -0.15 117.16 124.64 1aca n TYR 28 Ca -0.01 1.20 -0.17 0.00 3.32 0.00 0.00 57.90 62.25 1aca n TYR 28 Cb 0.08 -0.60 -0.09 0.00 -0.63 0.00 0.00 39.34 38.11 1aca n TYR 28 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1aca h SER 29 N 0.00 -1.38 -0.29 2.98 4.64 -0.60 0.27 113.55 119.17 1aca h SER 29 Ca 0.17 0.12 0.07 0.00 -0.47 0.00 0.00 61.79 61.68 1aca h SER 29 Cb 0.41 0.47 -0.07 0.00 -0.31 0.00 0.00 62.40 62.90 1aca h SER 29 CO -0.91 -0.59 -0.15 0.45 -0.87 0.00 0.00 176.83 174.76 1aca h HIS 30 N -0.86 -0.38 0.27 4.77 3.86 -0.28 0.17 115.15 122.70 1aca h HIS 30 Ca -0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1aca h HIS 30 Cb 0.78 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 1aca h HIS 30 CO -0.32 -0.23 -0.27 -0.92 0.86 0.00 0.00 177.93 177.05 1aca h TYR 31 N -0.11 -0.76 -0.86 2.45 3.20 -0.26 0.20 116.97 120.83 1aca h TYR 31 Ca 0.15 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.24 1aca h TYR 31 Cb 0.35 0.30 -0.15 0.00 1.54 0.00 0.00 36.73 38.76 1aca h TYR 31 CO -0.35 -0.36 0.00 0.87 -1.64 0.00 0.00 178.16 176.68 1aca h LYS 32 N -0.54 0.07 -0.35 1.82 1.79 -0.07 0.37 116.57 119.65 1aca h LYS 32 Ca -0.03 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1aca h LYS 32 Cb 0.47 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1aca h LYS 32 CO -0.04 0.04 -0.05 0.37 -1.08 0.00 0.00 179.45 178.70 1aca h GLN 33 N 0.07 0.66 -0.87 3.15 -0.00 -0.45 0.47 115.11 118.14 1aca h GLN 33 Ca 0.49 -0.23 0.01 0.00 -0.00 0.00 0.00 58.65 58.91 1aca h GLN 33 Cb 0.91 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.30 1aca h GLN 33 CO -0.78 0.80 0.57 0.00 0.00 0.00 0.00 178.83 179.42 1aca h ALA 34 N 0.84 1.11 0.00 3.38 0.00 0.28 -2.27 119.26 122.60 1aca h ALA 34 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1aca h ALA 34 Cb 0.54 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1aca h ALA 34 CO 0.03 0.50 -0.06 1.79 0.00 0.00 0.00 179.25 181.51 1aca h THR 35 N 1.17 0.00 0.00 0.00 1.35 -0.55 -3.42 112.91 111.46 1aca h THR 35 Ca 0.32 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1aca h THR 35 Cb -0.12 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.30 1aca h THR 35 CO -0.07 0.00 -0.03 0.58 -0.25 0.00 0.00 175.52 175.75 1aca h VAL 36 N -0.83 0.00 0.00 6.82 2.07 -0.22 -3.50 116.25 120.58 1aca h VAL 36 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1aca h VAL 36 Cb 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1aca h VAL 36 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1aca n GLY 37 N 1.89 2.43 3.94 2.17 0.00 -0.53 -4.98 105.19 110.10 1aca n GLY 37 Ca -0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1aca n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aca s ASP 38 N -4.00 6.33 -0.41 1.61 1.01 -1.26 -4.20 116.67 115.76 1aca s ASP 38 Ca 0.00 0.45 -0.19 0.00 0.71 0.00 0.00 52.55 53.52 1aca s ASP 38 Cb 0.00 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.91 1aca s ASP 38 CO 0.00 -0.22 0.57 -0.51 0.21 0.00 0.00 175.17 175.22 1aca s ILE 39 N -2.18 4.93 -0.33 0.77 2.07 -1.26 -4.85 121.20 120.34 1aca s ILE 39 Ca 0.40 0.11 0.10 0.00 -1.41 0.00 0.00 60.65 59.85 1aca s ILE 39 Cb -0.10 -4.10 0.45 0.00 0.13 0.00 0.00 42.46 38.84 1aca s ILE 39 CO 0.33 -0.44 1.13 -0.46 -1.91 0.00 0.00 174.94 173.59 1aca n ASN 40 N 5.98 4.10 -4.18 4.50 6.94 -1.26 -5.04 115.26 126.31 1aca n ASN 40 Ca -0.04 -3.41 -0.22 0.00 -0.02 0.00 0.00 54.58 50.89 1aca n ASN 40 Cb 0.48 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.40 1aca n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1aca s THR 41 N -4.65 0.65 0.42 5.53 -4.23 -1.26 -5.17 115.64 106.94 1aca s THR 41 Ca 0.45 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1aca s THR 41 Cb 0.40 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1aca s THR 41 CO -0.04 0.00 0.53 -1.61 -0.54 0.00 0.00 174.62 172.96 1aca s GLU 42 N -3.81 2.77 -0.79 3.99 2.02 -1.26 -5.10 118.70 116.52 1aca s GLU 42 Ca 0.31 -1.30 -0.12 0.00 0.02 0.00 0.00 54.97 53.88 1aca s GLU 42 Cb 0.05 -2.68 0.21 0.00 0.10 0.00 0.00 34.13 31.81 1aca s GLU 42 CO 0.16 -0.25 0.70 0.50 0.02 0.00 0.00 175.26 176.39 1aca s ARG 43 N -4.30 3.41 0.55 1.61 3.52 -1.26 -4.89 118.95 117.59 1aca s ARG 43 Ca 0.54 -2.45 -0.08 0.00 -0.13 0.00 0.00 55.73 53.60 1aca s ARG 43 Cb -0.09 -4.31 -0.06 0.00 -1.56 0.00 0.00 34.95 28.94 1aca s ARG 43 CO 0.32 -1.27 -0.46 -2.30 -0.81 0.00 0.00 175.30 170.78 1aca n PRO 44 N 3.93 0.00 0.00 5.12 -0.02 -1.26 -4.93 135.00 137.83 1aca n PRO 44 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1aca n PRO 44 Cb 0.45 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1aca n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aca n GLY 45 N 2.58 0.02 0.00 -1.23 0.00 -1.26 -4.80 105.19 100.50 1aca n GLY 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1aca n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aca n MET 46 N -2.39 0.00 -3.12 1.61 2.00 -1.26 -1.58 117.12 112.37 1aca n MET 46 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 1aca n MET 46 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1aca n MET 46 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1aca n LEU 47 N -0.32 2.86 0.00 4.03 -0.00 -1.26 -5.04 117.00 117.27 1aca n LEU 47 Ca 0.00 -5.34 0.00 0.00 -0.00 0.00 0.00 56.01 50.67 1aca n LEU 47 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1aca n LEU 47 CO 0.00 2.25 0.00 0.47 -0.00 0.00 0.00 177.39 180.11 1aca n ASP 48 N 0.29 0.00 -0.18 1.45 9.92 -0.61 -1.22 116.55 126.19 1aca n ASP 48 Ca 0.28 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.56 1aca n ASP 48 Cb 0.48 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.02 1aca n ASP 48 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1aca n PHE 49 N 0.00 0.13 0.32 1.24 -1.74 -1.26 0.04 117.46 116.18 1aca n PHE 49 Ca 0.00 0.61 0.13 0.00 -0.56 0.00 0.00 57.45 57.64 1aca n PHE 49 Cb 0.00 -0.76 0.72 0.00 1.52 0.00 0.00 39.48 40.96 1aca n PHE 49 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1aca h LYS 50 N 0.00 0.00 0.00 3.97 3.11 -1.59 2.13 116.57 124.19 1aca h LYS 50 Ca 0.22 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.89 1aca h LYS 50 Cb 0.34 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 1aca h LYS 50 CO -0.51 0.00 -1.57 0.41 -2.81 0.00 0.00 179.45 174.97 1aca n GLY 51 N -1.24 -0.16 0.11 5.01 0.00 0.99 -4.77 105.19 105.14 1aca n GLY 51 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1aca n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aca h LYS 52 N -0.28 -0.24 -0.01 1.61 6.56 0.19 -3.12 116.57 121.28 1aca h LYS 52 Ca -0.25 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 1aca h LYS 52 Cb 1.25 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.97 1aca h LYS 52 CO -0.13 -0.16 -0.00 0.00 -2.06 0.00 0.00 179.45 177.10 1aca n ALA 53 N -2.34 -0.00 -0.11 3.86 0.00 0.70 0.21 120.51 122.82 1aca n ALA 53 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1aca n ALA 53 Cb 0.10 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.58 1aca n ALA 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1aca h LYS 54 N 0.00 -0.06 0.53 0.00 2.10 -1.73 0.42 116.57 117.84 1aca h LYS 54 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1aca h LYS 54 Cb 0.00 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 1aca h LYS 54 CO -0.01 -0.04 -0.49 2.35 -2.00 0.00 0.00 179.45 179.27 1aca h TRP 55 N -0.06 -1.35 -0.13 0.07 7.01 0.25 0.27 115.95 122.00 1aca h TRP 55 Ca 0.18 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.20 1aca h TRP 55 Cb 0.34 0.52 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 1aca h TRP 55 CO -0.37 -0.66 -0.16 -0.44 -2.79 0.00 0.00 178.44 174.02 1aca h ASP 56 N -1.01 -0.54 -0.35 2.65 3.32 0.25 0.31 116.42 121.04 1aca h ASP 56 Ca -0.07 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1aca h ASP 56 Cb 0.86 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.58 1aca h ASP 56 CO -0.04 -0.11 -0.03 0.00 -1.72 0.00 0.00 179.24 177.34 1aca h ALA 57 N -0.90 0.29 0.31 3.45 0.00 -0.08 -2.81 119.26 119.52 1aca h ALA 57 Ca 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1aca h ALA 57 Cb 0.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1aca h ALA 57 CO -0.18 -0.42 -0.15 2.35 0.00 0.00 0.00 179.25 180.85 1aca h TRP 58 N 0.06 -0.39 -0.50 0.00 7.01 -0.03 -2.27 115.95 119.83 1aca h TRP 58 Ca 0.17 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.31 1aca h TRP 58 Cb 0.25 0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 1aca h TRP 58 CO -0.27 -0.23 0.96 -0.97 -2.79 0.00 0.00 178.44 175.14 1aca h ASN 59 N -0.44 0.00 0.79 2.65 -1.24 -0.14 0.41 115.58 117.60 1aca h ASN 59 Ca -0.04 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.72 1aca h ASN 59 Cb 0.34 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1aca h ASN 59 CO 0.07 0.00 -1.15 -0.33 -1.29 0.00 0.00 177.43 174.73 1aca h GLU 60 N 0.00 0.13 0.04 6.67 3.07 -1.25 -3.28 114.58 119.96 1aca h GLU 60 Ca 0.24 -0.23 -0.22 0.00 -0.50 0.00 0.00 59.36 58.65 1aca h GLU 60 Cb 2.15 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 30.14 1aca h GLU 60 CO -0.00 1.09 -1.01 -0.07 -1.40 0.00 0.00 179.01 177.61 1aca h LEU 61 N 0.04 0.24 -4.29 1.33 3.38 -0.25 -3.47 115.31 112.30 1aca h LEU 61 Ca -0.08 -0.23 -0.34 0.00 0.09 0.00 0.00 57.88 57.32 1aca h LEU 61 Cb 1.88 -0.08 0.04 0.00 0.09 0.00 0.00 40.66 42.60 1aca h LEU 61 CO 0.16 1.11 -0.16 1.17 0.09 0.00 0.00 178.44 180.81 1aca n LYS 62 N -3.55 0.00 -0.50 1.13 0.00 -0.86 -1.49 118.16 112.90 1aca n LYS 62 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.27 1aca n LYS 62 Cb 0.90 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 35.38 1aca n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aca n GLY 63 N 0.88 0.75 3.98 3.14 0.00 -1.26 -5.04 105.19 107.63 1aca n GLY 63 Ca 0.09 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1aca n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aca s THR 64 N -2.00 4.03 -0.13 2.61 2.01 -0.56 -5.06 115.64 116.55 1aca s THR 64 Ca 0.00 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.95 1aca s THR 64 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1aca s THR 64 CO 0.00 -0.21 0.63 -0.94 -0.69 0.00 0.00 174.62 173.41 1aca s SER 65 N -4.19 6.81 0.37 3.53 1.04 -1.26 -4.88 113.70 115.12 1aca s SER 65 Ca 0.46 0.97 0.23 0.00 0.48 0.00 0.00 55.95 58.09 1aca s SER 65 Cb -0.10 -2.36 1.31 0.00 0.10 0.00 0.00 66.02 64.97 1aca s SER 65 CO 0.33 -0.16 1.49 0.29 0.98 0.00 0.00 173.24 176.17 1aca n LYS 66 N 4.30 -0.05 0.08 4.02 5.02 -1.26 -1.00 118.16 129.28 1aca n LYS 66 Ca -0.02 1.27 -0.12 0.00 -2.02 0.00 0.00 58.31 57.42 1aca n LYS 66 Cb 0.51 -2.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.09 1aca n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1aca h GLU 67 N 0.00 -0.24 -0.71 1.97 5.08 -1.87 0.13 114.58 118.95 1aca h GLU 67 Ca 0.81 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 59.14 1aca h GLU 67 Cb 2.27 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.54 1aca h GLU 67 CO -0.65 0.16 0.26 -0.44 -1.00 0.00 0.00 179.01 177.34 1aca h ASP 68 N -0.73 0.98 -0.08 1.42 3.32 -1.47 0.18 116.42 120.04 1aca h ASP 68 Ca -0.03 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 56.90 1aca h ASP 68 Cb 0.50 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1aca h ASP 68 CO 0.04 0.88 -0.11 0.00 -1.72 0.00 0.00 179.24 178.34 1aca h ALA 69 N 1.25 -0.05 0.20 3.45 0.00 -1.08 -2.35 119.26 120.69 1aca h ALA 69 Ca 0.24 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1aca h ALA 69 Cb 0.23 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1aca h ALA 69 CO -0.02 -0.57 -0.53 0.52 0.00 0.00 0.00 179.25 178.65 1aca h MET 70 N -0.14 -0.79 -0.29 0.00 2.86 0.11 0.35 114.93 117.03 1aca h MET 70 Ca 0.07 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1aca h MET 70 Cb 0.24 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1aca h MET 70 CO -0.17 -0.52 -0.17 1.63 1.06 0.00 0.00 176.91 178.74 1aca n LYS 71 N -5.50 -0.13 -0.11 1.72 5.02 -0.25 0.14 118.16 119.06 1aca n LYS 71 Ca -0.09 0.75 -0.11 0.00 -2.02 0.00 0.00 58.31 56.83 1aca n LYS 71 Cb 0.43 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aca h ALA 72 N -0.15 0.42 -0.24 7.82 0.00 -1.29 -0.44 119.26 125.37 1aca h ALA 72 Ca 0.05 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1aca h ALA 72 Cb 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1aca h ALA 72 CO -0.28 0.20 -0.51 -0.92 0.00 0.00 0.00 179.25 177.74 1aca h TYR 73 N 0.35 -1.54 0.23 0.00 3.20 0.32 0.20 116.97 119.73 1aca h TYR 73 Ca 0.08 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1aca h TYR 73 Cb 0.49 0.70 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 1aca h TYR 73 CO 0.04 -0.48 -0.46 0.82 -1.64 0.00 0.00 178.16 176.44 1aca h ILE 74 N -0.46 0.00 -0.95 1.81 2.04 -0.27 0.37 117.51 120.04 1aca h ILE 74 Ca 0.05 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.16 1aca h ILE 74 Cb 0.59 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.54 1aca h ILE 74 CO -0.47 0.00 0.49 0.44 0.00 0.00 0.00 178.15 178.61 1aca h ASP 75 N -0.74 0.47 -0.22 1.72 3.32 -0.67 0.54 116.42 120.85 1aca h ASP 75 Ca -0.02 0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1aca h ASP 75 Cb 0.70 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1aca h ASP 75 CO -0.18 0.01 -0.16 0.50 -1.72 0.00 0.00 179.24 177.69 1aca h LYS 76 N 0.44 0.50 -0.68 3.56 1.63 0.46 0.18 116.57 122.65 1aca h LYS 76 Ca 0.62 -0.24 0.06 0.00 -0.85 0.00 0.00 60.65 60.24 1aca h LYS 76 Cb 1.24 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.81 1aca h LYS 76 CO -0.53 0.80 0.38 0.28 -3.45 0.00 0.00 179.45 176.93 1aca h VAL 77 N 0.19 0.97 0.06 2.00 2.07 0.21 0.16 116.25 121.91 1aca h VAL 77 Ca 0.04 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1aca h VAL 77 Cb 0.68 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1aca h VAL 77 CO 0.04 0.13 -0.51 -0.08 0.02 0.00 0.00 177.57 177.17 1aca h GLU 78 N 0.70 -0.67 -0.46 1.57 4.22 0.51 -1.83 114.58 118.63 1aca h GLU 78 Ca 0.30 0.05 0.08 0.00 0.08 0.00 0.00 59.36 59.87 1aca h GLU 78 Cb 0.19 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 1aca h GLU 78 CO -0.18 -0.45 -0.38 0.93 -2.18 0.00 0.00 179.01 176.75 1aca h GLU 79 N -0.69 -0.25 -0.32 1.92 4.39 0.74 -2.69 114.58 117.68 1aca h GLU 79 Ca 0.01 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.78 1aca h GLU 79 Cb 0.73 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.36 1aca h GLU 79 CO -0.32 -0.17 -0.50 -0.07 -1.16 0.00 0.00 179.01 176.80 1aca h LEU 80 N -0.26 -1.63 -0.46 1.33 3.38 -0.12 -2.75 115.31 114.81 1aca h LEU 80 Ca 0.17 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.42 1aca h LEU 80 Cb 0.56 0.67 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1aca h LEU 80 CO -0.60 -0.42 -0.20 1.17 0.09 0.00 0.00 178.44 178.48 1aca n LYS 81 N -5.41 -0.13 -0.08 1.13 4.81 -0.74 0.68 118.16 118.41 1aca n LYS 81 Ca -0.03 0.70 -0.07 0.00 -0.87 0.00 0.00 58.31 58.04 1aca n LYS 81 Cb 0.36 -1.03 -0.00 0.00 0.02 0.00 0.00 35.03 34.37 1aca n LYS 81 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1aca h LYS 82 N 0.00 0.07 0.64 1.64 6.56 -1.57 -2.00 116.57 121.90 1aca h LYS 82 Ca 0.14 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.69 1aca h LYS 82 Cb 0.25 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1aca h LYS 82 CO -0.45 0.05 -0.31 0.87 -2.06 0.00 0.00 179.45 177.56 1aca h LYS 83 N 0.08 -0.82 0.00 3.15 1.57 0.27 -3.43 116.57 117.38 1aca h LYS 83 Ca 0.14 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1aca h LYS 83 Cb 0.19 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1aca h LYS 83 CO -0.24 -0.51 -0.98 0.66 -0.57 0.00 0.00 179.45 177.81 1aca n TYR 84 N -5.40 0.00 0.00 -1.35 4.02 0.11 -5.05 117.16 109.49 1aca n TYR 84 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1aca n TYR 84 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1aca n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1aca n GLY 85 N 2.49 0.04 0.18 2.72 0.00 -0.76 -3.35 105.19 106.53 1aca n GLY 85 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83