#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 1.13 0.00 1.43 10.64 -1.26 -4.84 117.38 124.48 1aca n GLN 2 Ca 0.00 -0.19 0.00 0.00 -1.83 0.00 0.00 57.00 54.98 1aca n GLN 2 Cb 0.00 -1.23 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 1aca n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aca n ALA 3 N 1.74 0.00 -0.12 2.61 0.00 -1.26 -4.26 120.51 119.22 1aca n ALA 3 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1aca n ALA 3 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 1aca n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1aca n GLU 4 N 0.00 0.51 0.07 0.00 2.13 -1.26 -4.37 120.64 117.72 1aca n GLU 4 Ca 0.00 0.22 -0.13 0.00 0.66 0.00 0.00 57.16 57.92 1aca n GLU 4 Cb 0.00 -1.36 -0.09 0.00 0.27 0.00 0.00 31.44 30.26 1aca n GLU 4 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1aca h PHE 5 N -0.88 -0.19 -0.27 4.31 3.04 -1.94 -2.98 116.94 118.04 1aca h PHE 5 Ca -0.58 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.43 1aca h PHE 5 Cb 1.49 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 39.99 1aca h PHE 5 CO -0.10 0.20 -0.33 -0.44 -2.02 0.00 0.00 178.31 175.62 1aca h ASP 6 N -0.64 -1.08 -0.86 0.41 5.19 -1.91 0.35 116.42 117.88 1aca h ASP 6 Ca -0.02 0.17 0.22 0.00 -0.62 0.00 0.00 57.03 56.78 1aca h ASP 6 Cb 0.48 0.48 -0.13 0.00 0.18 0.00 0.00 39.33 40.33 1aca h ASP 6 CO 0.03 -0.34 0.25 0.50 -3.12 0.00 0.00 179.24 176.56 1aca h LYS 7 N -0.33 0.24 0.18 3.56 1.63 -1.76 0.61 116.57 120.70 1aca h LYS 7 Ca 0.13 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1aca h LYS 7 Cb 0.55 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1aca h LYS 7 CO -0.45 0.16 -0.08 0.00 -3.45 0.00 0.00 179.45 175.62 1aca h ALA 8 N 1.74 -0.24 -0.75 5.00 0.00 -0.46 -2.13 119.26 122.43 1aca h ALA 8 Ca 0.53 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.43 1aca h ALA 8 Cb 1.04 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1aca h ALA 8 CO -0.61 -0.46 0.09 0.00 0.00 0.00 0.00 179.25 178.27 1aca h ALA 9 N 0.16 0.88 0.14 0.00 0.00 0.12 0.22 119.26 120.77 1aca h ALA 9 Ca -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1aca h ALA 9 Cb 0.44 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1aca h ALA 9 CO 0.04 -0.40 -0.22 0.93 0.00 0.00 0.00 179.25 179.60 1aca h GLU 10 N 0.17 -0.36 -0.17 0.00 5.08 -0.91 -1.42 114.58 116.97 1aca h GLU 10 Ca 0.42 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 1aca h GLU 10 Cb 0.74 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1aca h GLU 10 CO -0.60 -0.24 -0.10 0.39 -1.00 0.00 0.00 179.01 177.46 1aca n GLU 11 N -3.67 -0.08 -0.07 2.33 -0.58 0.01 -1.55 120.64 117.02 1aca n GLU 11 Ca -0.04 1.00 -0.08 0.00 -0.42 0.00 0.00 57.16 57.62 1aca n GLU 11 Cb 0.19 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 1aca n GLU 11 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1aca h VAL 12 N 0.00 0.33 0.00 2.62 3.04 -0.64 0.39 116.25 122.00 1aca h VAL 12 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1aca h VAL 12 Cb 0.07 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 1aca h VAL 12 CO -0.16 0.00 0.29 0.50 -1.01 0.00 0.00 177.57 177.19 1aca h LYS 13 N -0.25 0.00 -0.16 4.17 3.64 -0.20 -0.62 116.57 123.14 1aca h LYS 13 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1aca h LYS 13 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1aca h LYS 13 CO -0.44 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.46 1aca n HIS 14 N -2.36 0.20 -1.57 1.91 8.25 0.13 -5.04 115.22 116.74 1aca n HIS 14 Ca -0.01 -0.18 -0.50 0.00 -0.26 0.00 0.00 57.72 56.77 1aca n HIS 14 Cb 0.32 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 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 0.72 1.43 0.31 2.41 4.77 -0.24 -4.77 117.00 121.62 1aca n LEU 15 Ca 0.10 1.14 0.15 0.00 -0.03 0.00 0.00 56.01 57.37 1aca n LEU 15 Cb 0.37 -1.19 0.81 0.00 -2.33 0.00 0.00 43.42 41.08 1aca n LEU 15 CO 0.09 -1.30 1.08 0.11 -1.33 0.00 0.00 177.39 176.03 1aca h LYS 16 N 3.57 0.00 -2.17 3.23 6.56 -1.84 -3.38 116.57 122.53 1aca h LYS 16 Ca -0.44 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 58.82 1aca h LYS 16 Cb 1.35 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 32.67 1aca h LYS 16 CO 0.71 0.00 -0.64 0.99 -2.06 0.00 0.00 179.45 178.46 1aca s THR 17 N -3.98 -0.40 -0.03 -0.16 2.01 -1.26 -5.08 115.64 106.74 1aca s THR 17 Ca -0.03 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1aca s THR 17 Cb 0.09 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1aca s THR 17 CO 0.27 -0.46 0.07 1.17 -0.69 0.00 0.00 174.62 174.98 1aca n LYS 18 N 5.31 0.00 -0.57 4.92 4.81 -1.26 -4.80 118.16 126.57 1aca n LYS 18 Ca -0.02 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.21 1aca n LYS 18 Cb 0.46 -0.04 0.14 0.00 0.02 0.00 0.00 35.03 35.62 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1aca n PRO 19 N 0.21 -2.03 -1.79 1.64 -0.02 -1.26 -4.80 135.00 126.95 1aca n PRO 19 Ca 0.02 -0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 60.48 1aca n PRO 19 Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1aca n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aca s ALA 20 N -2.09 3.88 0.63 3.55 0.00 -1.26 -4.75 121.76 121.71 1aca s ALA 20 Ca 0.38 1.53 0.27 0.00 0.00 0.00 0.00 51.96 54.14 1aca s ALA 20 Cb -0.06 -3.67 1.39 0.00 0.00 0.00 0.00 23.12 20.78 1aca s ALA 20 CO 0.39 -0.89 1.80 -0.44 0.00 0.00 0.00 175.76 176.62 1aca h ASP 21 N 6.57 0.00 0.10 0.00 3.32 -1.98 0.49 116.42 124.92 1aca h ASP 21 Ca -0.43 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1aca h ASP 21 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1aca h ASP 21 CO 0.93 0.00 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.07 1aca h GLU 22 N 0.00 -0.13 0.00 3.56 5.08 -1.99 0.37 114.58 121.47 1aca h GLU 22 Ca 0.13 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1aca h GLU 22 Cb 1.15 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1aca h GLU 22 CO -0.00 0.22 -0.05 0.93 -1.00 0.00 0.00 179.01 179.11 1aca h GLU 23 N -0.98 0.00 0.27 2.33 4.39 -1.15 -1.03 114.58 118.41 1aca h GLU 23 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1aca h GLU 23 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1aca h GLU 23 CO 0.02 0.05 -0.13 0.52 -1.16 0.00 0.00 179.01 178.31 1aca h MET 24 N 0.00 -0.35 0.00 2.33 2.86 -0.10 -3.12 114.93 116.54 1aca h MET 24 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1aca h MET 24 Cb 0.20 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1aca h MET 24 CO 0.01 -0.24 0.00 1.28 1.06 0.00 0.00 176.91 179.02 1aca n LEU 25 N -3.58 0.00 0.18 1.22 4.77 0.13 0.17 117.00 119.89 1aca n LEU 25 Ca -0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 1aca n LEU 25 Cb 0.15 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1aca n LEU 25 CO 0.11 0.00 0.71 0.15 -1.33 0.00 0.00 177.39 177.03 1aca h PHE 26 N 0.00 -0.61 -0.20 -1.77 3.04 -1.48 -3.20 116.94 112.72 1aca h PHE 26 Ca 0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1aca h PHE 26 Cb 0.00 0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.69 1aca h PHE 26 CO 0.00 -0.35 -0.39 0.82 -2.02 0.00 0.00 178.31 176.37 1aca h ILE 27 N -0.52 0.00 -0.52 1.41 1.08 0.18 -2.49 117.51 116.64 1aca h ILE 27 Ca -0.02 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 1aca h ILE 27 Cb 0.47 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.11 1aca h ILE 27 CO -0.02 0.00 -0.18 0.22 -0.69 0.00 0.00 178.15 177.48 1aca h TYR 28 N -0.35 -0.42 -0.15 1.37 3.20 -1.61 0.33 116.97 119.35 1aca h TYR 28 Ca 0.04 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1aca h TYR 28 Cb 0.45 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1aca h TYR 28 CO -0.62 -0.27 -0.17 0.77 -1.64 0.00 0.00 178.16 176.23 1aca h SER 29 N -0.05 -0.58 0.21 -2.11 0.02 -1.45 0.20 113.55 109.79 1aca h SER 29 Ca 0.25 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1aca h SER 29 Cb 0.43 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 1aca h SER 29 CO -0.56 -0.11 -0.11 0.45 -1.14 0.00 0.00 176.83 175.35 1aca h HIS 30 N -0.10 -0.29 -0.70 3.45 3.86 -1.20 -0.58 115.15 119.59 1aca h HIS 30 Ca 0.03 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.35 1aca h HIS 30 Cb 0.17 0.10 -0.13 0.00 1.06 0.00 0.00 27.41 28.62 1aca h HIS 30 CO -0.69 -0.18 -0.36 -0.92 0.86 0.00 0.00 177.93 176.64 1aca h TYR 31 N -0.30 -1.00 -0.29 2.45 3.20 0.01 0.15 116.97 121.20 1aca h TYR 31 Ca -0.02 0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1aca h TYR 31 Cb 0.24 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1aca h TYR 31 CO -0.07 -0.39 -0.11 0.87 -1.64 0.00 0.00 178.16 176.82 1aca h LYS 32 N -0.12 0.59 -0.85 1.82 1.57 -0.48 0.20 116.57 119.29 1aca h LYS 32 Ca 0.26 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1aca h LYS 32 Cb 0.56 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1aca h LYS 32 CO -0.76 0.80 0.52 -0.56 -0.57 0.00 0.00 179.45 178.88 1aca h GLN 33 N 0.34 1.15 -0.02 3.15 3.07 -0.65 0.83 115.11 122.98 1aca h GLN 33 Ca 0.07 -0.10 0.02 0.00 0.09 0.00 0.00 58.65 58.73 1aca h GLN 33 Cb 0.61 -0.24 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 1aca h GLN 33 CO 0.04 0.80 -0.08 0.00 0.09 0.00 0.00 178.83 179.68 1aca h ALA 34 N 1.28 -0.07 0.00 0.06 0.00 -0.61 -1.71 119.26 118.21 1aca h ALA 34 Ca 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1aca h ALA 34 Cb -0.06 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1aca h ALA 34 CO -0.06 -0.56 -0.06 1.79 0.00 0.00 0.00 179.25 180.35 1aca h THR 35 N -0.12 1.43 0.00 0.00 1.35 -0.43 -3.43 112.91 111.70 1aca h THR 35 Ca 0.04 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1aca h THR 35 Cb 0.17 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1aca h THR 35 CO -0.09 0.48 0.00 0.52 -0.25 0.00 0.00 175.52 176.18 1aca n VAL 36 N -4.63 0.00 0.00 6.82 0.31 0.28 -5.06 118.33 116.04 1aca n VAL 36 Ca -0.09 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1aca n VAL 36 Cb 0.40 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1aca n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aca n GLY 37 N 2.23 1.91 3.86 2.92 0.00 -0.48 -4.96 105.19 110.67 1aca n GLY 37 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 6.55 -0.22 1.61 1.11 -1.10 -4.35 116.67 116.28 1aca s ASP 38 Ca 0.00 1.35 -0.10 0.00 0.18 0.00 0.00 52.55 53.98 1aca s ASP 38 Cb 0.00 -2.41 -0.05 0.00 1.07 0.00 0.00 42.92 41.53 1aca s ASP 38 CO 0.00 -0.51 0.14 -0.51 1.18 0.00 0.00 175.17 175.47 1aca s ILE 39 N -2.54 5.33 -0.14 0.77 2.07 -1.26 -4.94 121.20 120.49 1aca s ILE 39 Ca 0.55 0.16 0.17 0.00 -1.41 0.00 0.00 60.65 60.12 1aca s ILE 39 Cb -0.10 -3.46 0.43 0.00 0.13 0.00 0.00 42.46 39.46 1aca s ILE 39 CO 0.33 0.39 1.19 -0.46 -1.91 0.00 0.00 174.94 174.48 1aca n ASN 40 N 3.92 1.68 -4.64 4.50 0.23 -1.26 -5.06 115.26 114.63 1aca n ASN 40 Ca -0.16 -3.05 -0.26 0.00 -0.53 0.00 0.00 54.58 50.58 1aca n ASN 40 Cb 0.52 -0.42 -0.09 0.00 -2.08 0.00 0.00 39.78 37.70 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 -2.14 2.25 0.58 5.53 -4.23 -1.26 -5.16 115.64 111.21 1aca s THR 41 Ca 0.37 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 1aca s THR 41 Cb 0.38 -2.90 0.09 0.00 1.34 0.00 0.00 72.50 71.40 1aca s THR 41 CO -0.10 -0.08 0.80 -1.83 -0.54 0.00 0.00 174.62 172.87 1aca s GLU 42 N -3.74 2.28 -0.49 3.99 -1.05 -1.26 -5.07 118.70 113.36 1aca s GLU 42 Ca 0.36 -1.55 -0.18 0.00 -0.15 0.00 0.00 54.97 53.45 1aca s GLU 42 Cb 0.05 -2.62 0.07 0.00 -0.44 0.00 0.00 34.13 31.18 1aca s GLU 42 CO 0.19 -0.88 0.53 0.50 0.95 0.00 0.00 175.26 176.55 1aca s ARG 43 N -4.69 3.06 0.97 -4.83 3.52 -1.26 -4.87 118.95 110.85 1aca s ARG 43 Ca 0.62 -1.11 -0.25 0.00 -0.13 0.00 0.00 55.73 54.86 1aca s ARG 43 Cb -0.06 -4.12 -0.18 0.00 -1.56 0.00 0.00 34.95 29.03 1aca s ARG 43 CO 0.39 -1.15 -1.37 -2.30 -0.81 0.00 0.00 175.30 170.06 1aca n PRO 44 N 5.75 0.00 0.00 5.12 -0.02 -1.26 -4.93 135.00 139.66 1aca n PRO 44 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1aca n PRO 44 Cb 0.44 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 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 3.39 0.12 0.16 -1.23 0.00 -1.26 -4.72 105.19 101.65 1aca n GLY 45 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1aca n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1aca n MET 46 N -1.33 -0.11 -1.27 1.61 0.00 -1.26 -0.67 117.12 114.08 1aca n MET 46 Ca 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 57.70 58.24 1aca n MET 46 Cb 0.00 -0.95 0.12 0.00 0.00 0.00 0.00 33.22 32.39 1aca n MET 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1aca n LEU 47 N -4.60 3.99 0.00 3.17 4.77 -1.26 -5.04 117.00 118.03 1aca n LEU 47 Ca 0.04 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.73 1aca n LEU 47 Cb 0.16 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1aca n LEU 47 CO -0.06 1.71 0.00 -0.67 -1.33 0.00 0.00 177.39 177.04 1aca n ASP 48 N -0.93 0.00 -0.30 -1.43 -0.08 0.15 -0.35 116.55 113.61 1aca n ASP 48 Ca 0.33 0.00 0.26 0.00 -1.51 0.00 0.00 54.79 53.87 1aca n ASP 48 Cb 0.85 0.00 0.49 0.00 2.34 0.00 0.00 41.12 44.79 1aca n ASP 48 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1aca n PHE 49 N 0.00 0.97 0.39 -0.67 -1.74 -1.26 -0.03 117.46 115.12 1aca n PHE 49 Ca 0.00 1.08 0.12 0.00 -0.56 0.00 0.00 57.45 58.09 1aca n PHE 49 Cb 0.00 -1.42 0.50 0.00 1.52 0.00 0.00 39.48 40.08 1aca n PHE 49 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1aca n LYS 50 N -5.11 0.21 -0.03 3.97 0.00 0.52 -1.77 118.16 115.96 1aca n LYS 50 Ca 0.32 0.43 -0.06 0.00 0.00 0.00 0.00 58.31 59.01 1aca n LYS 50 Cb 1.08 -1.89 -0.02 0.00 0.00 0.00 0.00 35.03 34.19 1aca n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aca n GLY 51 N -0.00 -0.09 0.29 3.14 0.00 0.95 -4.48 105.19 105.00 1aca n GLY 51 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.16 -0.70 -0.38 1.61 6.56 -0.90 -0.10 116.57 122.50 1aca h LYS 52 Ca -0.15 0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.52 1aca h LYS 52 Cb 1.15 0.16 -0.05 0.00 -0.57 0.00 0.00 32.23 32.93 1aca h LYS 52 CO -0.07 -0.47 -0.23 0.00 -2.06 0.00 0.00 179.45 176.62 1aca n ALA 53 N -2.39 -0.25 -0.01 3.86 0.00 -0.73 0.52 120.51 121.51 1aca n ALA 53 Ca -0.09 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1aca n ALA 53 Cb 0.29 -0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 1aca n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aca h LYS 54 N 0.00 -0.33 -0.07 0.00 1.79 -1.70 0.37 116.57 116.62 1aca h LYS 54 Ca 0.06 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1aca h LYS 54 Cb 0.16 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 1aca h LYS 54 CO -0.36 -0.22 -0.25 2.35 -1.08 0.00 0.00 179.45 179.89 1aca h TRP 55 N -0.34 -0.74 -0.25 -1.35 7.01 0.18 -2.07 115.95 118.39 1aca h TRP 55 Ca 0.02 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.08 1aca h TRP 55 Cb 0.40 0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 27.75 1aca h TRP 55 CO -0.54 -0.25 -0.23 -0.44 -2.79 0.00 0.00 178.44 174.19 1aca h ASP 56 N -0.26 -0.81 -0.92 2.65 3.32 0.20 0.38 116.42 120.98 1aca h ASP 56 Ca 0.02 0.11 0.21 0.00 0.02 0.00 0.00 57.03 57.38 1aca h ASP 56 Cb 0.30 0.34 -0.17 0.00 0.22 0.00 0.00 39.33 40.02 1aca h ASP 56 CO -0.21 -0.14 -0.16 0.00 -1.72 0.00 0.00 179.24 177.02 1aca n ALA 57 N -2.95 0.30 0.08 3.45 0.00 0.13 -2.19 120.51 119.32 1aca n ALA 57 Ca -0.01 1.01 -0.23 0.00 0.00 0.00 0.00 53.44 54.22 1aca n ALA 57 Cb 0.13 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 1aca n ALA 57 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1aca h TRP 58 N 0.00 0.72 0.00 0.00 7.01 -0.63 -3.38 115.95 119.68 1aca h TRP 58 Ca 0.48 -0.53 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1aca h TRP 58 Cb 0.82 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1aca h TRP 58 CO -0.64 1.66 0.16 -1.71 -2.79 0.00 0.00 178.44 175.11 1aca n ASN 59 N -3.59 0.00 -0.12 2.65 5.15 0.13 0.31 115.26 119.79 1aca n ASN 59 Ca -0.24 0.19 -0.17 0.00 -0.60 0.00 0.00 54.58 53.77 1aca n ASN 59 Cb 1.08 -0.19 -0.13 0.00 -0.53 0.00 0.00 39.78 40.01 1aca n ASN 59 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1aca n GLU 60 N -1.12 0.66 0.18 1.20 4.07 -1.23 -4.40 120.64 120.00 1aca n GLU 60 Ca 0.00 0.13 0.07 0.00 -0.06 0.00 0.00 57.16 57.30 1aca n GLU 60 Cb 0.16 -1.53 0.22 0.00 -0.06 0.00 0.00 31.44 30.22 1aca n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1aca h LEU 61 N 0.00 0.00 0.00 4.31 3.38 -0.35 -3.41 115.31 119.24 1aca h LEU 61 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1aca h LEU 61 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1aca h LEU 61 CO -0.06 0.31 0.00 1.17 0.09 0.00 0.00 178.44 179.95 1aca n LYS 62 N -3.26 0.00 -0.99 1.13 4.81 -0.02 0.11 118.16 119.93 1aca n LYS 62 Ca 0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.40 1aca n LYS 62 Cb 0.58 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.93 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 -0.66 3.80 3.94 3.14 0.00 -1.26 -2.69 105.19 111.45 1aca n GLY 63 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.02 3.72 -0.22 2.61 2.01 0.30 -5.06 115.64 115.98 1aca s THR 64 Ca 0.54 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 1aca s THR 64 Cb 0.44 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1aca s THR 64 CO 0.12 -0.35 0.23 -0.94 -0.69 0.00 0.00 174.62 173.00 1aca s SER 65 N -4.27 6.23 0.05 3.53 1.04 -1.26 -4.86 113.70 114.15 1aca s SER 65 Ca 0.51 0.25 0.04 0.00 0.48 0.00 0.00 55.95 57.23 1aca s SER 65 Cb -0.10 -2.14 0.18 0.00 0.10 0.00 0.00 66.02 64.06 1aca s SER 65 CO 0.41 0.03 0.19 0.29 0.98 0.00 0.00 173.24 175.14 1aca n LYS 66 N 4.27 -0.00 0.10 4.02 5.02 -1.25 -0.37 118.16 129.94 1aca n LYS 66 Ca -0.13 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 1aca n LYS 66 Cb 0.52 -0.30 -0.15 0.00 -0.02 0.00 0.00 35.03 35.07 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 0.44 -0.98 1.97 4.39 -1.87 -3.04 114.58 115.49 1aca h GLU 67 Ca 0.11 -0.74 0.03 0.00 0.34 0.00 0.00 59.36 59.09 1aca h GLU 67 Cb 0.35 0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 1aca h GLU 67 CO -0.06 1.36 0.65 -0.44 -1.16 0.00 0.00 179.01 179.35 1aca h ASP 68 N -0.02 1.09 -1.00 1.42 5.19 -1.12 0.50 116.42 122.48 1aca h ASP 68 Ca -0.25 -0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.22 1aca h ASP 68 Cb 2.00 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 41.18 1aca h ASP 68 CO 0.21 0.77 0.64 0.00 -3.12 0.00 0.00 179.24 177.74 1aca h ALA 69 N 1.38 1.41 0.28 3.45 0.00 -1.58 -2.02 119.26 122.18 1aca h ALA 69 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1aca h ALA 69 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1aca h ALA 69 CO -0.11 0.40 -0.13 0.52 0.00 0.00 0.00 179.25 179.93 1aca h MET 70 N 1.14 -0.36 -0.63 0.00 2.86 0.04 0.58 114.93 118.56 1aca h MET 70 Ca 0.44 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 58.24 1aca h MET 70 Cb 0.23 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 31.85 1aca h MET 70 CO -0.19 -0.06 -0.13 1.63 1.06 0.00 0.00 176.91 179.22 1aca n LYS 71 N -5.13 -0.06 -0.11 1.72 5.02 -0.23 -0.93 118.16 118.45 1aca n LYS 71 Ca -0.09 0.97 -0.22 0.00 -2.02 0.00 0.00 58.31 56.95 1aca n LYS 71 Cb 0.25 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.67 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aca n ALA 72 N -3.70 1.25 -0.39 7.82 0.00 -1.02 -4.06 120.51 120.41 1aca n ALA 72 Ca 0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 1aca n ALA 72 Cb 0.34 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 1aca n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1aca h TYR 73 N -0.30 -1.68 0.05 0.00 3.20 0.13 -0.75 116.97 117.64 1aca h TYR 73 Ca -0.57 0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1aca h TYR 73 Cb 1.81 0.86 -0.01 0.00 1.54 0.00 0.00 36.73 40.93 1aca h TYR 73 CO 0.01 -0.39 -0.15 0.82 -1.64 0.00 0.00 178.16 176.82 1aca h ILE 74 N -0.03 0.00 -0.98 1.81 2.04 -1.23 0.35 117.51 119.46 1aca h ILE 74 Ca 0.20 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.37 1aca h ILE 74 Cb 0.47 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.37 1aca h ILE 74 CO -0.92 0.00 0.16 -0.67 0.00 0.00 0.00 178.15 176.72 1aca n ASP 75 N -3.27 0.02 -0.05 1.72 2.03 -0.76 0.83 116.55 117.08 1aca n ASP 75 Ca -0.03 1.66 -0.12 0.00 0.52 0.00 0.00 54.79 56.82 1aca n ASP 75 Cb 0.12 -0.66 -0.07 0.00 -0.72 0.00 0.00 41.12 39.79 1aca n ASP 75 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1aca h LYS 76 N 0.00 0.30 -0.59 -0.67 1.63 -0.13 -1.90 116.57 115.20 1aca h LYS 76 Ca 0.66 -0.13 0.08 0.00 -0.85 0.00 0.00 60.65 60.42 1aca h LYS 76 Cb 1.50 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 33.06 1aca h LYS 76 CO -0.88 0.61 0.24 0.28 -3.45 0.00 0.00 179.45 176.26 1aca h VAL 77 N -0.03 0.81 -0.98 2.00 2.07 0.45 0.87 116.25 121.44 1aca h VAL 77 Ca 0.03 -0.15 0.21 0.00 0.82 0.00 0.00 66.70 67.61 1aca h VAL 77 Cb 0.52 0.34 -0.18 0.00 -1.52 0.00 0.00 31.29 30.44 1aca h VAL 77 CO 0.02 0.08 -0.20 -0.08 0.02 0.00 0.00 177.57 177.40 1aca h GLU 78 N 0.43 0.00 0.09 1.57 4.22 0.34 0.52 114.58 121.75 1aca h GLU 78 Ca 0.29 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.76 1aca h GLU 78 Cb 0.33 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1aca h GLU 78 CO -0.28 0.00 -0.34 0.93 -2.18 0.00 0.00 179.01 177.14 1aca h GLU 79 N 0.00 -0.53 -0.99 1.92 5.08 -0.04 -2.82 114.58 117.21 1aca h GLU 79 Ca 0.49 0.04 0.34 0.00 -1.00 0.00 0.00 59.36 59.22 1aca h GLU 79 Cb 0.79 0.12 -0.18 0.00 0.50 0.00 0.00 28.75 29.98 1aca h GLU 79 CO -0.99 -0.35 0.29 -0.07 -1.00 0.00 0.00 179.01 176.88 1aca h LEU 80 N -0.55 -0.06 -1.38 1.33 -0.00 -0.80 0.53 115.31 114.37 1aca h LEU 80 Ca 0.04 0.26 0.23 0.00 -0.00 0.00 0.00 57.88 58.41 1aca h LEU 80 Cb 0.60 0.37 -0.08 0.00 -0.00 0.00 0.00 40.66 41.54 1aca h LEU 80 CO -0.22 -0.37 0.63 0.50 -0.00 0.00 0.00 178.44 178.98 1aca h LYS 81 N 0.03 0.44 0.00 1.13 3.64 -1.45 0.67 116.57 121.02 1aca h LYS 81 Ca 0.71 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.91 1aca h LYS 81 Cb 1.69 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 1aca h LYS 81 CO -0.83 0.29 -0.88 0.87 -2.27 0.00 0.00 179.45 176.63 1aca h LYS 82 N 0.45 0.00 0.02 1.90 1.57 -0.17 -1.25 116.57 119.09 1aca h LYS 82 Ca 0.54 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1aca h LYS 82 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1aca h LYS 82 CO -0.25 0.93 -0.01 0.87 -0.57 0.00 0.00 179.45 180.42 1aca h LYS 83 N -1.00 -0.02 0.00 3.15 1.57 -0.40 -3.39 116.57 116.47 1aca h LYS 83 Ca -0.24 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.35 1aca h LYS 83 Cb 1.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1aca h LYS 83 CO -0.14 0.06 -1.69 0.66 -0.57 0.00 0.00 179.45 177.77 1aca n TYR 84 N -5.06 0.00 0.00 -1.35 4.01 0.22 -5.05 117.16 109.92 1aca n TYR 84 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1aca n TYR 84 Cb 0.07 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 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 2.61 0.72 0.67 2.72 0.00 -0.36 -4.69 105.19 106.87 1aca n GLY 85 Ca -0.23 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.20 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83