#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aca s GLN 2 N 0.00 1.22 0.00 4.33 0.00 -1.26 -5.02 119.66 118.93 1aca s GLN 2 Ca 0.00 -1.59 -0.01 0.00 -0.00 0.00 0.00 55.36 53.76 1aca s GLN 2 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 33.01 32.43 1aca s GLN 2 CO 0.00 -0.07 1.42 0.00 0.00 0.00 0.00 175.29 176.64 1aca n ALA 3 N -0.33 3.16 -0.10 2.60 0.00 -1.26 -3.23 120.51 121.36 1aca n ALA 3 Ca -0.07 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 1aca n ALA 3 Cb 0.63 -1.72 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 1aca n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aca n GLU 4 N 2.05 0.67 -0.13 0.00 1.02 -1.26 -3.95 120.64 119.04 1aca n GLU 4 Ca 0.07 0.15 -0.27 0.00 -0.02 0.00 0.00 57.16 57.09 1aca n GLU 4 Cb 0.34 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 1aca n GLU 4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1aca n PHE 5 N -3.23 0.22 -0.23 -0.32 -0.00 -1.20 -3.30 117.46 109.40 1aca n PHE 5 Ca -0.41 0.09 0.03 0.00 -0.00 0.00 0.00 57.45 57.16 1aca n PHE 5 Cb 1.02 -1.02 0.13 0.00 -0.00 0.00 0.00 39.48 39.61 1aca n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1aca h ASP 6 N -0.88 -0.26 -0.19 -2.13 3.32 -1.81 0.32 116.42 114.79 1aca h ASP 6 Ca -0.63 0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.61 1aca h ASP 6 Cb 1.60 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 41.41 1aca h ASP 6 CO -0.35 -0.13 -0.16 0.50 -1.72 0.00 0.00 179.24 177.38 1aca h LYS 7 N 0.13 -0.07 -0.58 3.56 3.64 -1.74 0.17 116.57 121.68 1aca h LYS 7 Ca 0.37 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.87 1aca h LYS 7 Cb 0.63 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.35 1aca h LYS 7 CO -0.58 -0.04 -0.27 0.00 -2.27 0.00 0.00 179.45 176.29 1aca h ALA 8 N -0.78 0.10 -0.47 5.00 0.00 -0.65 0.39 119.26 122.85 1aca h ALA 8 Ca 0.03 0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1aca h ALA 8 Cb 0.15 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1aca h ALA 8 CO -0.21 -0.59 0.55 0.00 0.00 0.00 0.00 179.25 179.00 1aca h ALA 9 N 1.19 2.18 0.00 0.00 0.00 0.23 0.75 119.26 123.61 1aca h ALA 9 Ca 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1aca h ALA 9 Cb 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1aca h ALA 9 CO -0.65 -0.79 -0.55 1.05 0.00 0.00 0.00 179.25 178.31 1aca h GLU 10 N 0.00 0.00 0.00 0.00 4.11 0.11 -3.06 114.58 115.74 1aca h GLU 10 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1aca h GLU 10 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1aca h GLU 10 CO -0.00 0.18 0.00 0.39 0.07 0.00 0.00 179.01 179.65 1aca n GLU 11 N -4.61 0.00 -0.31 1.06 1.02 0.65 -0.43 120.64 118.02 1aca n GLU 11 Ca -0.10 0.77 0.08 0.00 -0.02 0.00 0.00 57.16 57.88 1aca n GLU 11 Cb 0.30 -1.20 0.23 0.00 -0.02 0.00 0.00 31.44 30.75 1aca n GLU 11 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1aca h VAL 12 N 0.00 0.75 0.00 2.62 3.04 0.24 0.35 116.25 123.25 1aca h VAL 12 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1aca h VAL 12 Cb 0.00 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.29 1aca h VAL 12 CO 0.00 0.12 0.00 0.29 -1.01 0.00 0.00 177.57 176.97 1aca n LYS 13 N -4.83 0.29 -0.05 4.17 5.02 0.42 -0.59 118.16 122.59 1aca n LYS 13 Ca 0.18 0.06 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 1aca n LYS 13 Cb 0.44 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.10 0.14 -1.43 2.13 8.25 0.12 -4.93 115.22 118.40 1aca n HIS 14 Ca 0.07 -0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 1aca n HIS 14 Cb 0.06 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 1aca n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1aca n LEU 15 N 0.84 0.32 0.00 2.41 4.77 0.24 -4.76 117.00 120.82 1aca n LEU 15 Ca 0.10 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 1aca n LEU 15 Cb 0.40 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1aca n LEU 15 CO 0.10 -2.69 0.00 1.17 -1.33 0.00 0.00 177.39 174.64 1aca n LYS 16 N 7.13 0.00 -4.00 3.23 3.00 -1.26 -3.77 118.16 122.48 1aca n LYS 16 Ca 0.37 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.36 1aca n LYS 16 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.30 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1aca s THR 17 N -3.88 2.05 0.00 3.15 2.01 -1.26 -5.06 115.64 112.65 1aca s THR 17 Ca 0.00 -1.94 0.00 0.00 0.31 0.00 0.00 61.69 60.06 1aca s THR 17 Cb 0.00 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1aca s THR 17 CO 0.00 -0.39 0.00 2.29 -0.69 0.00 0.00 174.62 175.83 1aca n LYS 18 N 4.40 0.00 -0.79 4.92 2.85 -1.25 -4.80 118.16 123.50 1aca n LYS 18 Ca -0.03 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.88 1aca n LYS 18 Cb 0.42 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.93 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 -0.92 -1.63 -1.58 -0.02 -1.26 -4.84 135.00 124.75 1aca n PRO 19 Ca 0.00 -0.25 -0.49 0.00 -2.02 0.00 0.00 63.50 60.74 1aca n PRO 19 Cb 0.00 -1.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 -3.94 0.21 -0.35 3.55 0.00 -1.26 -4.58 120.51 114.14 1aca n ALA 20 Ca 0.01 0.48 -0.00 0.00 0.00 0.00 0.00 53.44 53.93 1aca n ALA 20 Cb 0.63 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.93 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 5.11 -1.28 -1.01 0.00 5.19 -1.97 0.53 116.42 122.98 1aca h ASP 21 Ca -0.46 0.30 0.24 0.00 -0.62 0.00 0.00 57.03 56.49 1aca h ASP 21 Cb 1.30 0.70 -0.12 0.00 0.18 0.00 0.00 39.33 41.39 1aca h ASP 21 CO 0.82 -0.30 0.61 -0.33 -3.12 0.00 0.00 179.24 176.92 1aca h GLU 22 N -0.02 0.55 -0.09 3.56 5.08 -1.98 1.07 114.58 122.76 1aca h GLU 22 Ca 0.36 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.51 1aca h GLU 22 Cb 0.61 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1aca h GLU 22 CO -0.95 0.37 -0.64 0.93 -1.00 0.00 0.00 179.01 177.71 1aca h GLU 23 N 0.57 0.59 0.00 2.33 5.08 -0.38 0.25 114.58 123.03 1aca h GLU 23 Ca 0.63 -0.52 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1aca h GLU 23 Cb 1.24 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1aca h GLU 23 CO -0.44 1.14 -0.23 0.52 -1.00 0.00 0.00 179.01 178.99 1aca h MET 24 N 0.22 0.00 0.42 2.33 2.86 0.79 0.14 114.93 121.69 1aca h MET 24 Ca -0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1aca h MET 24 Cb 1.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1aca h MET 24 CO 0.13 0.23 -0.20 -0.07 1.06 0.00 0.00 176.91 178.06 1aca h LEU 25 N 0.00 -0.48 -0.08 1.22 3.38 0.14 0.44 115.31 119.94 1aca h LEU 25 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1aca h LEU 25 Cb 0.44 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1aca h LEU 25 CO 0.03 -0.23 -0.16 0.15 0.09 0.00 0.00 178.44 178.32 1aca h PHE 26 N -0.78 -0.48 -0.12 1.13 3.04 -0.72 0.14 116.94 119.16 1aca h PHE 26 Ca -0.06 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.93 1aca h PHE 26 Cb 0.43 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.12 1aca h PHE 26 CO 0.06 -0.15 -0.26 0.82 -2.02 0.00 0.00 178.31 176.76 1aca h ILE 27 N -0.14 0.00 -0.44 1.41 1.08 -0.81 0.04 117.51 118.65 1aca h ILE 27 Ca 0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 1aca h ILE 27 Cb 0.18 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.86 1aca h ILE 27 CO -0.15 0.00 -0.49 0.22 -0.69 0.00 0.00 178.15 177.04 1aca h TYR 28 N -0.24 -1.51 -0.32 1.37 3.20 0.15 0.42 116.97 120.05 1aca h TYR 28 Ca 0.02 0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1aca h TYR 28 Cb 0.30 0.72 -0.08 0.00 1.54 0.00 0.00 36.73 39.21 1aca h TYR 28 CO -0.58 -0.41 -0.36 0.66 -1.64 0.00 0.00 178.16 175.83 1aca h SER 29 N -0.29 -1.19 0.06 -2.11 4.64 -0.44 0.16 113.55 114.39 1aca h SER 29 Ca 0.08 0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1aca h SER 29 Cb 0.49 0.53 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 1aca h SER 29 CO -0.57 -0.35 -0.12 0.45 -0.87 0.00 0.00 176.83 175.36 1aca h HIS 30 N -0.33 -0.32 0.10 4.77 3.86 -0.49 -0.94 115.15 121.80 1aca h HIS 30 Ca 0.14 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1aca h HIS 30 Cb 0.56 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1aca h HIS 30 CO -0.53 -0.19 -0.47 -0.92 0.86 0.00 0.00 177.93 176.68 1aca h TYR 31 N -0.24 -1.36 -0.24 2.45 3.20 0.62 0.16 116.97 121.56 1aca h TYR 31 Ca 0.02 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1aca h TYR 31 Cb 0.27 0.58 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 1aca h TYR 31 CO -0.15 -0.53 -0.18 0.87 -1.64 0.00 0.00 178.16 176.53 1aca h LYS 32 N -0.66 -0.17 -0.47 1.82 1.79 -0.59 0.18 116.57 118.48 1aca h LYS 32 Ca -0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1aca h LYS 32 Cb 0.67 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1aca h LYS 32 CO -0.26 -0.11 0.25 0.37 -1.08 0.00 0.00 179.45 178.62 1aca h GLN 33 N -0.17 0.65 -0.82 3.15 -0.00 -0.96 0.92 115.11 117.88 1aca h GLN 33 Ca 0.13 -0.08 0.12 0.00 -0.00 0.00 0.00 58.65 58.83 1aca h GLN 33 Cb 0.38 -0.13 -0.09 0.00 0.00 0.00 0.00 27.48 27.64 1aca h GLN 33 CO -0.34 0.52 0.43 0.00 0.00 0.00 0.00 178.83 179.44 1aca h ALA 34 N 1.10 1.20 0.00 3.38 0.00 0.27 -2.95 119.26 122.27 1aca h ALA 34 Ca 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1aca h ALA 34 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aca h ALA 34 CO -0.03 -0.04 -0.88 0.25 0.00 0.00 0.00 179.25 178.55 1aca n THR 35 N -4.84 1.46 0.01 0.00 -2.24 0.54 -4.58 114.28 104.63 1aca n THR 35 Ca 0.15 0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 62.03 1aca n THR 35 Cb 0.37 -2.28 -0.01 0.00 -2.10 0.00 0.00 70.33 66.31 1aca n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1aca h VAL 36 N -1.00 0.00 0.00 2.28 2.07 0.73 -3.50 116.25 116.83 1aca h VAL 36 Ca -0.12 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1aca h VAL 36 Cb 0.83 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1aca h VAL 36 CO -0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.13 1aca n GLY 37 N 1.48 1.45 3.92 2.17 0.00 -0.61 -4.99 105.19 108.62 1aca n GLY 37 Ca -0.01 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 5.71 -0.20 1.61 1.11 -1.25 -4.31 116.67 115.35 1aca s ASP 38 Ca 0.00 0.65 -0.07 0.00 0.18 0.00 0.00 52.55 53.31 1aca s ASP 38 Cb 0.00 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.22 1aca s ASP 38 CO 0.00 -0.94 0.05 -0.51 1.18 0.00 0.00 175.17 174.96 1aca s ILE 39 N -2.88 4.58 -0.30 0.77 2.07 -1.26 -4.98 121.20 119.21 1aca s ILE 39 Ca 0.52 -0.10 0.14 0.00 -1.41 0.00 0.00 60.65 59.80 1aca s ILE 39 Cb -0.10 -3.08 0.47 0.00 0.13 0.00 0.00 42.46 39.88 1aca s ILE 39 CO 0.44 0.43 1.12 -0.46 -1.91 0.00 0.00 174.94 174.56 1aca n ASN 40 N 3.88 3.23 -3.83 4.50 0.23 -1.26 -5.06 115.26 116.95 1aca n ASN 40 Ca -0.16 -2.98 -0.25 0.00 -0.53 0.00 0.00 54.58 50.66 1aca n ASN 40 Cb 0.52 -0.43 -0.08 0.00 -2.08 0.00 0.00 39.78 37.71 1aca n ASN 40 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1aca s THR 41 N -4.24 0.36 0.44 5.53 -4.23 -1.26 -5.18 115.64 107.06 1aca s THR 41 Ca 0.39 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1aca s THR 41 Cb 0.38 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 1aca s THR 41 CO -0.02 0.00 0.36 -1.61 -0.54 0.00 0.00 174.62 172.81 1aca s GLU 42 N -3.58 2.41 -0.85 3.99 2.02 -1.26 -5.13 118.70 116.30 1aca s GLU 42 Ca 0.27 -1.70 -0.11 0.00 0.02 0.00 0.00 54.97 53.46 1aca s GLU 42 Cb 0.01 -2.25 0.22 0.00 0.10 0.00 0.00 34.13 32.21 1aca s GLU 42 CO 0.19 -0.28 0.78 0.50 0.02 0.00 0.00 175.26 176.47 1aca s ARG 43 N -4.13 3.53 0.72 1.61 3.52 -1.26 -4.81 118.95 118.13 1aca s ARG 43 Ca 0.44 -2.67 -0.14 0.00 -0.13 0.00 0.00 55.73 53.24 1aca s ARG 43 Cb -0.02 -4.31 -0.10 0.00 -1.56 0.00 0.00 34.95 28.97 1aca s ARG 43 CO 0.26 -1.26 -0.76 -2.30 -0.81 0.00 0.00 175.30 170.42 1aca n PRO 44 N 3.55 0.00 0.00 5.12 -0.02 -1.26 -4.88 135.00 137.51 1aca n PRO 44 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1aca n PRO 44 Cb 0.43 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 3.12 0.00 0.05 -1.23 0.00 -1.26 -4.72 105.19 101.15 1aca n GLY 45 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1aca n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aca h MET 46 N 0.00 0.00 0.00 1.61 -0.00 -2.04 -3.43 114.93 111.06 1aca h MET 46 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.46 1aca h MET 46 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.56 1aca h MET 46 CO 0.00 0.00 -1.75 1.28 -0.00 0.00 0.00 176.91 176.44 1aca n LEU 47 N -4.13 1.71 -2.85 -0.10 7.99 -1.26 -4.90 117.00 113.47 1aca n LEU 47 Ca -0.03 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 1aca n LEU 47 Cb 0.12 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 1aca n LEU 47 CO 0.05 0.17 0.00 0.47 -1.51 0.00 0.00 177.39 176.56 1aca n ASP 48 N -4.15 0.00 -0.07 -1.43 9.92 -1.26 -4.45 116.55 115.11 1aca n ASP 48 Ca -0.33 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 53.91 1aca n ASP 48 Cb 0.68 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.14 1aca n ASP 48 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1aca n PHE 49 N -0.90 -0.07 0.14 1.24 3.72 -1.26 0.11 117.46 120.43 1aca n PHE 49 Ca 0.00 0.21 0.02 0.00 -0.05 0.00 0.00 57.45 57.63 1aca n PHE 49 Cb 0.00 -0.37 0.09 0.00 -0.94 0.00 0.00 39.48 38.26 1aca n PHE 49 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1aca n LYS 50 N -3.19 0.00 -0.13 -1.08 4.01 -1.26 -1.41 118.16 115.09 1aca n LYS 50 Ca 0.00 0.43 -0.28 0.00 -0.51 0.00 0.00 58.31 57.95 1aca n LYS 50 Cb 0.04 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 32.96 1aca n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aca n GLY 51 N -1.08 -0.42 0.10 0.72 0.00 0.30 -4.80 105.19 100.01 1aca n GLY 51 Ca 0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 1aca n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aca n LYS 52 N -4.17 0.53 -0.03 1.61 4.01 0.65 -4.21 118.16 116.55 1aca n LYS 52 Ca -0.52 0.49 -0.01 0.00 -0.51 0.00 0.00 58.31 57.76 1aca n LYS 52 Cb 0.87 -1.67 -0.01 0.00 -0.51 0.00 0.00 35.03 33.71 1aca n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aca n ALA 53 N -3.68 -0.05 -0.17 7.82 0.00 -0.50 0.21 120.51 124.14 1aca n ALA 53 Ca -0.27 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 1aca n ALA 53 Cb 0.58 0.07 0.03 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.10 0.13 0.00 2.10 -1.81 0.36 116.57 117.25 1aca h LYS 54 Ca 0.01 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1aca h LYS 54 Cb 0.03 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 1aca h LYS 54 CO -0.07 -0.06 -0.28 2.35 -2.00 0.00 0.00 179.45 179.38 1aca h TRP 55 N -0.10 -0.81 -0.11 0.07 7.01 0.22 0.44 115.95 122.66 1aca h TRP 55 Ca 0.24 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.27 1aca h TRP 55 Cb 0.48 0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 1aca h TRP 55 CO -0.52 -0.34 -0.17 -0.44 -2.79 0.00 0.00 178.44 174.19 1aca h ASP 56 N -0.45 -0.56 -0.87 2.65 3.32 -0.15 0.46 116.42 120.81 1aca h ASP 56 Ca -0.01 0.07 0.18 0.00 0.02 0.00 0.00 57.03 57.29 1aca h ASP 56 Cb 0.43 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 1aca h ASP 56 CO -0.12 -0.12 0.57 0.00 -1.72 0.00 0.00 179.24 177.85 1aca h ALA 57 N -0.94 2.10 0.01 3.45 0.00 -0.20 -2.80 119.26 120.88 1aca h ALA 57 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1aca h ALA 57 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1aca h ALA 57 CO -0.17 -0.36 -0.06 2.35 0.00 0.00 0.00 179.25 181.00 1aca h TRP 58 N 0.47 0.02 -0.48 0.00 7.01 0.68 -3.29 115.95 120.37 1aca h TRP 58 Ca 0.45 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.57 1aca h TRP 58 Cb 1.01 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.05 1aca h TRP 58 CO -0.00 1.02 0.82 -0.97 -2.79 0.00 0.00 178.44 176.52 1aca h ASN 59 N -0.97 0.00 0.38 2.65 -1.24 0.15 0.54 115.58 117.08 1aca h ASN 59 Ca -0.01 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.76 1aca h ASN 59 Cb 1.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.09 1aca h ASN 59 CO 0.00 0.00 -1.00 -0.08 -1.29 0.00 0.00 177.43 175.06 1aca h GLU 60 N 0.00 0.39 0.07 6.67 4.81 -1.59 -3.31 114.58 121.62 1aca h GLU 60 Ca 0.23 -0.46 -0.28 0.00 -0.13 0.00 0.00 59.36 58.72 1aca h GLU 60 Cb 1.86 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 31.36 1aca h GLU 60 CO -0.00 1.13 -1.44 -0.07 -0.73 0.00 0.00 179.01 177.90 1aca h LEU 61 N 0.20 0.23 0.00 1.64 3.38 -0.13 -3.42 115.31 117.20 1aca h LEU 61 Ca -0.09 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1aca h LEU 61 Cb 1.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1aca h LEU 61 CO 0.17 1.27 0.00 1.17 0.09 0.00 0.00 178.44 181.14 1aca n LYS 62 N -3.36 0.00 -1.04 1.13 4.81 -0.30 0.14 118.16 119.55 1aca n LYS 62 Ca -0.13 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.09 1aca n LYS 62 Cb 1.02 0.00 0.11 0.00 0.02 0.00 0.00 35.03 36.18 1aca n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aca n GLY 63 N -0.43 4.40 4.02 3.14 0.00 -1.26 -3.83 105.19 111.22 1aca n GLY 63 Ca 0.00 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.03 2.10 -0.18 2.61 2.01 0.38 -5.10 115.64 114.44 1aca s THR 64 Ca 0.47 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 1aca s THR 64 Cb 0.39 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1aca s THR 64 CO 0.05 0.00 0.17 -0.94 -0.69 0.00 0.00 174.62 173.21 1aca s SER 65 N -4.71 6.29 0.29 3.53 1.04 -1.26 -4.98 113.70 113.90 1aca s SER 65 Ca 0.64 0.34 0.10 0.00 0.48 0.00 0.00 55.95 57.51 1aca s SER 65 Cb -0.05 -2.11 0.91 0.00 0.10 0.00 0.00 66.02 64.87 1aca s SER 65 CO 0.41 0.21 1.33 0.29 0.98 0.00 0.00 173.24 176.45 1aca n LYS 66 N 3.25 -0.06 0.01 4.02 4.76 -1.26 -1.59 118.16 127.29 1aca n LYS 66 Ca -0.16 1.21 -0.19 0.00 -2.87 0.00 0.00 58.31 56.30 1aca n LYS 66 Cb 0.52 -2.05 -0.14 0.00 -1.84 0.00 0.00 35.03 31.52 1aca n LYS 66 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1aca h GLU 67 N 0.00 0.21 -0.96 1.97 3.07 -1.90 -1.39 114.58 115.58 1aca h GLU 67 Ca 0.62 -0.36 0.08 0.00 -0.50 0.00 0.00 59.36 59.20 1aca h GLU 67 Cb 1.50 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 29.48 1aca h GLU 67 CO -0.72 1.17 0.62 -0.44 -1.40 0.00 0.00 179.01 178.24 1aca h ASP 68 N -0.54 0.93 -0.22 1.42 3.32 -1.71 0.84 116.42 120.45 1aca h ASP 68 Ca -0.12 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1aca h ASP 68 Cb 1.48 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 1aca h ASP 68 CO 0.10 0.56 0.06 0.00 -1.72 0.00 0.00 179.24 178.24 1aca h ALA 69 N 1.51 0.24 0.24 3.45 0.00 -1.44 -2.06 119.26 121.20 1aca h ALA 69 Ca 0.43 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1aca h ALA 69 Cb 0.30 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1aca h ALA 69 CO -0.19 -0.36 -0.47 0.52 0.00 0.00 0.00 179.25 178.76 1aca h MET 70 N 0.16 -0.75 -0.62 0.00 2.86 0.17 0.38 114.93 117.12 1aca h MET 70 Ca 0.10 0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.84 1aca h MET 70 Cb 0.08 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 1aca h MET 70 CO -0.11 -0.50 -0.37 1.63 1.06 0.00 0.00 176.91 178.62 1aca n LYS 71 N -5.50 -0.27 -0.03 1.72 4.76 0.92 0.40 118.16 120.15 1aca n LYS 71 Ca -0.09 1.13 -0.15 0.00 -2.87 0.00 0.00 58.31 56.33 1aca n LYS 71 Cb 0.41 -1.67 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aca h ALA 72 N 0.12 0.41 0.10 7.82 0.00 -1.24 -2.32 119.26 124.15 1aca h ALA 72 Ca 0.10 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1aca h ALA 72 Cb 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1aca h ALA 72 CO -0.59 0.69 -0.33 -0.92 0.00 0.00 0.00 179.25 178.10 1aca h TYR 73 N 0.54 -0.95 -0.08 0.00 3.20 0.24 0.12 116.97 120.05 1aca h TYR 73 Ca -0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1aca h TYR 73 Cb 1.31 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.97 1aca h TYR 73 CO 0.08 -0.38 -0.09 0.82 -1.64 0.00 0.00 178.16 176.95 1aca h ILE 74 N -0.49 0.00 -0.94 1.81 2.04 -0.14 0.23 117.51 120.03 1aca h ILE 74 Ca -0.01 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.08 1aca h ILE 74 Cb 0.48 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.39 1aca h ILE 74 CO -0.17 0.00 -0.07 0.44 0.00 0.00 0.00 178.15 178.35 1aca h ASP 75 N -0.05 -0.60 -0.21 1.72 5.19 -1.24 0.28 116.42 121.51 1aca h ASP 75 Ca 0.01 0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1aca h ASP 75 Cb 0.09 0.50 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1aca h ASP 75 CO -0.10 -0.31 -0.00 0.50 -3.12 0.00 0.00 179.24 176.20 1aca h LYS 76 N 0.02 0.37 -0.40 3.56 1.63 0.46 -2.56 116.57 119.65 1aca h LYS 76 Ca 0.52 -0.12 0.08 0.00 -0.85 0.00 0.00 60.65 60.28 1aca h LYS 76 Cb 0.95 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.48 1aca h LYS 76 CO -0.90 0.57 -0.08 0.28 -3.45 0.00 0.00 179.45 175.86 1aca h VAL 77 N 0.13 0.62 -0.85 2.00 2.07 0.14 0.82 116.25 121.18 1aca h VAL 77 Ca 0.06 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 67.71 1aca h VAL 77 Cb 0.40 0.60 -0.14 0.00 -1.52 0.00 0.00 31.29 30.63 1aca h VAL 77 CO 0.01 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 177.17 1aca h GLU 78 N 0.02 -0.06 0.31 1.57 4.57 -0.14 -0.89 114.58 119.97 1aca h GLU 78 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1aca h GLU 78 Cb 0.29 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1aca h GLU 78 CO -0.39 -0.04 -0.49 0.93 -1.18 0.00 0.00 179.01 177.84 1aca h GLU 79 N -0.06 -0.83 -0.84 1.92 5.08 -0.63 -3.02 114.58 116.21 1aca h GLU 79 Ca 0.31 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.87 1aca h GLU 79 Cb 0.58 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.88 1aca h GLU 79 CO -0.88 -0.55 -0.28 1.28 -1.00 0.00 0.00 179.01 177.58 1aca n LEU 80 N -5.52 -0.44 -0.19 1.33 4.77 -0.38 -1.05 117.00 115.52 1aca n LEU 80 Ca -0.10 1.45 0.08 0.00 -0.03 0.00 0.00 56.01 57.41 1aca n LEU 80 Cb 0.43 -0.37 0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1aca n LEU 80 CO 0.22 -1.34 0.42 1.17 -1.33 0.00 0.00 177.39 176.54 1aca n LYS 81 N -5.28 -0.04 -0.05 3.23 4.81 -0.92 -0.45 118.16 119.45 1aca n LYS 81 Ca 0.10 0.80 -0.22 0.00 -0.87 0.00 0.00 58.31 58.13 1aca n LYS 81 Cb 0.37 -1.27 -0.13 0.00 0.02 0.00 0.00 35.03 34.02 1aca n LYS 81 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1aca n LYS 82 N -4.66 0.67 -0.30 1.64 5.02 -0.21 0.40 118.16 120.72 1aca n LYS 82 Ca 0.12 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1aca n LYS 82 Cb 0.40 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1aca n LYS 82 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1aca h LYS 83 N -0.42 -0.04 0.01 1.97 1.57 -0.75 -2.90 116.57 116.01 1aca h LYS 83 Ca -0.41 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 57.95 1aca h LYS 83 Cb 1.71 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.97 1aca h LYS 83 CO -0.06 -0.03 -2.42 0.66 -0.57 0.00 0.00 179.45 177.03 1aca n TYR 84 N -5.50 0.12 0.00 -1.35 4.01 0.40 -5.08 117.16 109.76 1aca n TYR 84 Ca 0.10 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1aca n TYR 84 Cb 0.40 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 1aca n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aca n GLY 85 N 1.71 0.22 0.00 2.72 0.00 0.16 -4.77 105.19 105.23 1aca n GLY 85 Ca -0.49 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61