#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 0.00 0.00 -1.46 0.00 -1.26 -4.97 117.38 109.69 1aca n GLN 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1aca n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 -0.76 1.03 0.22 2.61 0.00 -1.26 -2.49 120.51 119.86 1aca n ALA 3 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1aca n ALA 3 Cb 0.00 -0.69 0.41 0.00 0.00 0.00 0.00 19.45 19.17 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 0.00 0.04 0.00 3.07 -1.97 0.29 114.58 116.01 1aca h GLU 4 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 1aca h GLU 4 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1aca h GLU 4 CO 0.00 0.22 -0.77 0.35 -1.40 0.00 0.00 179.01 177.41 1aca h PHE 5 N 0.00 0.14 -0.26 4.33 3.04 -1.84 0.15 116.94 122.51 1aca h PHE 5 Ca -0.00 -0.10 0.05 0.00 3.98 0.00 0.00 57.97 61.89 1aca h PHE 5 Cb 0.82 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.28 1aca h PHE 5 CO 0.00 1.30 -0.02 -0.44 -2.02 0.00 0.00 178.31 177.13 1aca h ASP 6 N -0.80 -0.16 0.06 0.41 5.19 -1.70 0.60 116.42 120.02 1aca h ASP 6 Ca -0.19 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1aca h ASP 6 Cb 1.31 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.90 1aca h ASP 6 CO -0.04 -0.05 -0.48 0.50 -3.12 0.00 0.00 179.24 176.05 1aca h LYS 7 N 0.05 -0.63 -0.47 3.56 3.64 -0.51 0.40 116.57 122.62 1aca h LYS 7 Ca 0.12 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1aca h LYS 7 Cb 0.17 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.04 1aca h LYS 7 CO -0.23 -0.42 -0.41 0.00 -2.27 0.00 0.00 179.45 176.13 1aca h ALA 8 N -0.59 -0.33 -1.06 5.00 0.00 0.98 0.37 119.26 123.64 1aca h ALA 8 Ca 0.00 0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.31 1aca h ALA 8 Cb 0.67 0.87 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 1aca h ALA 8 CO -0.29 -0.82 0.64 0.00 0.00 0.00 0.00 179.25 178.78 1aca h ALA 9 N 0.58 2.09 0.18 0.00 0.00 0.15 0.53 119.26 122.79 1aca h ALA 9 Ca 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1aca h ALA 9 Cb 0.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1aca h ALA 9 CO -0.61 -0.63 -0.09 0.93 0.00 0.00 0.00 179.25 178.85 1aca h GLU 10 N 0.36 -0.23 -0.71 0.00 4.39 0.12 0.96 114.58 119.47 1aca h GLU 10 Ca 0.70 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.48 1aca h GLU 10 Cb 1.67 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 30.29 1aca h GLU 10 CO -0.48 0.03 -0.42 0.39 -1.16 0.00 0.00 179.01 177.37 1aca n GLU 11 N -4.93 -0.31 -0.13 2.33 1.02 0.11 -0.76 120.64 117.97 1aca n GLU 11 Ca -0.05 1.18 -0.11 0.00 -0.02 0.00 0.00 57.16 58.16 1aca n GLU 11 Cb 0.18 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 1.28 0.00 2.62 3.04 -0.15 -2.46 116.25 120.57 1aca h VAL 12 Ca 0.11 -1.15 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 1aca h VAL 12 Cb 0.29 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1aca h VAL 12 CO -0.66 0.38 0.03 0.11 -1.01 0.00 0.00 177.57 176.42 1aca h LYS 13 N 0.52 0.00 -0.39 4.17 1.57 0.14 0.12 116.57 122.69 1aca h LYS 13 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1aca h LYS 13 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1aca h LYS 13 CO 0.04 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.64 1aca n HIS 14 N -2.39 0.52 -1.56 -1.35 8.25 -0.57 -4.73 115.22 113.39 1aca n HIS 14 Ca -0.02 -0.26 -0.41 0.00 -0.26 0.00 0.00 57.72 56.78 1aca n HIS 14 Cb 0.07 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 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 0.71 4.68 -0.01 2.41 4.77 0.40 -4.77 117.00 125.20 1aca n LEU 15 Ca 0.15 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 1aca n LEU 15 Cb 0.36 -1.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1aca n LEU 15 CO 0.10 -0.19 0.01 2.29 -1.33 0.00 0.00 177.39 178.28 1aca n LYS 16 N 7.10 0.00 -3.88 3.23 2.85 -1.26 -3.57 118.16 122.64 1aca n LYS 16 Ca 0.49 0.01 -0.35 0.00 -1.05 0.00 0.00 58.31 57.42 1aca n LYS 16 Cb 0.42 -0.02 -0.13 0.00 -0.65 0.00 0.00 35.03 34.64 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1aca s THR 17 N -2.96 2.99 -0.98 0.58 2.01 -1.26 -5.06 115.64 110.96 1aca s THR 17 Ca -0.00 -1.74 -0.30 0.00 0.31 0.00 0.00 61.69 59.96 1aca s THR 17 Cb 0.00 -2.89 -0.22 0.00 0.01 0.00 0.00 72.50 69.40 1aca s THR 17 CO 0.01 -0.37 2.64 1.17 -0.69 0.00 0.00 174.62 177.38 1aca n LYS 18 N 4.56 0.00 -0.61 4.92 4.81 -1.23 -4.86 118.16 125.75 1aca n LYS 18 Ca -0.07 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.07 1aca n LYS 18 Cb 0.42 -1.46 0.19 0.00 0.02 0.00 0.00 35.03 34.20 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 8.26 -1.99 -1.67 1.64 -0.02 -1.26 -4.80 135.00 135.16 1aca n PRO 19 Ca 0.65 -0.57 -0.47 0.00 -2.02 0.00 0.00 63.50 61.09 1aca n PRO 19 Cb 0.03 -1.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 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 -4.59 1.02 -0.59 3.55 0.00 -1.26 -4.63 120.51 114.02 1aca n ALA 20 Ca 0.02 0.40 0.47 0.00 0.00 0.00 0.00 53.44 54.34 1aca n ALA 20 Cb 0.58 -2.37 0.78 0.00 0.00 0.00 0.00 19.45 18.45 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 6.79 0.04 -0.35 0.00 3.32 -1.97 0.52 116.42 124.76 1aca h ASP 21 Ca -0.46 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.44 1aca h ASP 21 Cb 1.27 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 1aca h ASP 21 CO 0.90 -0.03 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.63 1aca h GLU 22 N 0.01 0.91 -0.16 3.56 5.08 -1.98 0.62 114.58 122.63 1aca h GLU 22 Ca 0.85 -0.51 -0.20 0.00 -1.00 0.00 0.00 59.36 58.50 1aca h GLU 22 Cb 3.30 0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.58 1aca h GLU 22 CO -0.08 1.16 -0.69 0.93 -1.00 0.00 0.00 179.01 179.33 1aca h GLU 23 N 0.71 0.65 -0.08 2.33 5.08 -0.41 0.70 114.58 123.55 1aca h GLU 23 Ca 0.04 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1aca h GLU 23 Cb 1.03 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1aca h GLU 23 CO 0.10 1.11 0.03 0.52 -1.00 0.00 0.00 179.01 179.77 1aca h MET 24 N 0.46 0.13 -0.18 2.33 2.86 -0.75 -1.02 114.93 118.75 1aca h MET 24 Ca -0.03 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1aca h MET 24 Cb 1.29 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.88 1aca h MET 24 CO 0.13 0.29 -0.38 -0.07 1.06 0.00 0.00 176.91 177.94 1aca h LEU 25 N -0.06 -1.23 -0.18 1.22 3.38 0.64 0.47 115.31 119.56 1aca h LEU 25 Ca 0.03 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1aca h LEU 25 Cb 0.21 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1aca h LEU 25 CO -0.00 -0.30 -0.44 0.15 0.09 0.00 0.00 178.44 177.94 1aca h PHE 26 N -0.34 -1.31 -0.48 1.13 3.04 -0.73 0.23 116.94 118.47 1aca h PHE 26 Ca 0.04 0.05 0.09 0.00 3.98 0.00 0.00 57.97 62.13 1aca h PHE 26 Cb 0.44 0.60 -0.10 0.00 2.56 0.00 0.00 35.95 39.44 1aca h PHE 26 CO -0.61 -0.42 -0.36 0.82 -2.02 0.00 0.00 178.31 175.72 1aca h ILE 27 N -0.41 0.17 0.25 1.41 1.08 -0.79 0.80 117.51 120.01 1aca h ILE 27 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1aca h ILE 27 Cb 0.52 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1aca h ILE 27 CO -0.39 0.00 -0.27 0.22 -0.69 0.00 0.00 178.15 177.02 1aca h TYR 28 N -0.23 -0.71 -0.07 1.37 5.03 0.66 0.60 116.97 123.62 1aca h TYR 28 Ca 0.19 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.54 1aca h TYR 28 Cb 0.56 0.28 -0.06 0.00 1.55 0.00 0.00 36.73 39.06 1aca h TYR 28 CO -0.61 -0.39 -0.31 0.66 -1.32 0.00 0.00 178.16 176.19 1aca h SER 29 N -0.56 -0.96 0.48 -2.11 4.64 0.18 0.32 113.55 115.54 1aca h SER 29 Ca -0.00 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1aca h SER 29 Cb 0.52 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1aca h SER 29 CO -0.07 -0.36 -0.23 0.45 -0.87 0.00 0.00 176.83 175.75 1aca h HIS 30 N -0.42 -0.60 -0.46 4.77 3.86 -0.75 -1.15 115.15 120.41 1aca h HIS 30 Ca 0.08 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.36 1aca h HIS 30 Cb 0.54 0.20 -0.10 0.00 1.06 0.00 0.00 27.41 29.11 1aca h HIS 30 CO -0.37 -0.36 -0.33 -0.92 0.86 0.00 0.00 177.93 176.81 1aca h TYR 31 N -0.67 -0.91 0.26 2.45 3.20 0.51 0.25 116.97 122.05 1aca h TYR 31 Ca -0.07 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1aca h TYR 31 Cb 0.51 0.47 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1aca h TYR 31 CO -0.04 -0.38 -0.39 0.87 -1.64 0.00 0.00 178.16 176.58 1aca h LYS 32 N -0.23 -0.69 -0.11 1.82 1.79 -0.24 0.13 116.57 119.04 1aca h LYS 32 Ca 0.19 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1aca h LYS 32 Cb 0.54 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1aca h LYS 32 CO -0.58 -0.46 0.06 0.37 -1.08 0.00 0.00 179.45 177.76 1aca h GLN 33 N -0.72 0.13 -0.49 3.15 -0.00 -0.73 0.95 115.11 117.39 1aca h GLN 33 Ca -0.01 -0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.71 1aca h GLN 33 Cb 0.69 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.08 1aca h GLN 33 CO -0.14 0.09 0.13 0.00 0.00 0.00 0.00 178.83 178.91 1aca h ALA 34 N 1.05 0.58 0.00 3.38 0.00 -0.71 -2.15 119.26 121.41 1aca h ALA 34 Ca 0.04 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1aca h ALA 34 Cb -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1aca h ALA 34 CO -0.02 -0.27 -0.68 1.79 0.00 0.00 0.00 179.25 180.07 1aca h THR 35 N 0.29 1.01 0.00 0.00 1.35 -0.57 -3.44 112.91 111.55 1aca h THR 35 Ca 0.24 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1aca h THR 35 Cb 0.30 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1aca h THR 35 CO -0.29 0.34 0.00 0.52 -0.25 0.00 0.00 175.52 175.85 1aca n VAL 36 N -4.54 0.00 0.00 6.82 0.31 0.32 -5.04 118.33 116.21 1aca n VAL 36 Ca -0.20 0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1aca n VAL 36 Cb 0.52 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 1.87 2.23 3.74 2.92 0.00 -0.81 -4.98 105.19 110.16 1aca n GLY 37 Ca 0.00 -0.70 -0.38 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 6.74 -0.15 1.61 1.11 -1.26 -4.25 116.67 116.47 1aca s ASP 38 Ca 0.00 0.88 -0.29 0.00 0.18 0.00 0.00 52.55 53.32 1aca s ASP 38 Cb 0.00 -2.29 -0.01 0.00 1.07 0.00 0.00 42.92 41.69 1aca s ASP 38 CO 0.00 0.05 1.11 -0.51 1.18 0.00 0.00 175.17 177.00 1aca s ILE 39 N 0.35 4.54 -0.14 0.77 2.07 -1.26 -4.84 121.20 122.69 1aca s ILE 39 Ca 0.27 1.84 0.20 0.00 -1.41 0.00 0.00 60.65 61.55 1aca s ILE 39 Cb -0.16 -4.19 0.45 0.00 0.13 0.00 0.00 42.46 38.70 1aca s ILE 39 CO 0.12 -0.09 1.17 -0.46 -1.91 0.00 0.00 174.94 173.77 1aca n ASN 40 N 5.83 1.72 -3.56 4.50 0.23 -1.26 -5.01 115.26 117.70 1aca n ASN 40 Ca 0.11 -2.59 -0.14 0.00 -0.53 0.00 0.00 54.58 51.43 1aca n ASN 40 Cb 0.46 -0.39 0.01 0.00 -2.08 0.00 0.00 39.78 37.78 1aca n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1aca n THR 41 N -0.23 0.00 -3.34 5.53 -2.24 -1.26 -5.16 114.28 107.58 1aca n THR 41 Ca 0.13 -1.17 -0.21 0.00 -2.27 0.00 0.00 64.05 60.54 1aca n THR 41 Cb 0.95 -0.33 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1aca n THR 41 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aca s GLU 42 N -3.27 2.49 -1.04 -0.78 -1.05 -1.26 -5.10 118.70 108.69 1aca s GLU 42 Ca 0.20 -1.59 -0.06 0.00 -0.15 0.00 0.00 54.97 53.37 1aca s GLU 42 Cb -0.02 -2.49 0.26 0.00 -0.44 0.00 0.00 34.13 31.44 1aca s GLU 42 CO 0.13 -0.48 0.99 0.50 0.95 0.00 0.00 175.26 177.35 1aca s ARG 43 N -4.37 3.87 0.89 -4.83 3.52 -1.26 -4.80 118.95 111.97 1aca s ARG 43 Ca 0.51 -3.26 -0.17 0.00 -0.13 0.00 0.00 55.73 52.68 1aca s ARG 43 Cb -0.05 -4.33 -0.15 0.00 -1.56 0.00 0.00 34.95 28.86 1aca s ARG 43 CO 0.31 -1.25 -0.66 -2.30 -0.81 0.00 0.00 175.30 170.59 1aca n PRO 44 N 2.53 0.00 0.00 5.12 -0.02 -1.26 -4.87 135.00 136.51 1aca n PRO 44 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1aca n PRO 44 Cb 0.38 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 3.25 0.19 0.32 -1.23 0.00 -1.26 -4.38 105.19 102.08 1aca n GLY 45 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.64 -0.06 -0.36 1.61 0.00 -1.26 -0.50 117.12 114.90 1aca n MET 46 Ca 0.00 1.39 0.08 0.00 0.00 0.00 0.00 57.70 59.16 1aca n MET 46 Cb 0.00 -2.41 0.17 0.00 0.00 0.00 0.00 33.22 30.98 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 -5.29 2.47 0.00 3.17 7.99 -1.26 -5.00 117.00 119.08 1aca n LEU 47 Ca 0.34 -3.44 0.00 0.00 -0.01 0.00 0.00 56.01 52.90 1aca n LEU 47 Cb 1.14 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 43.99 1aca n LEU 47 CO -0.01 1.05 0.00 -0.67 -1.51 0.00 0.00 177.39 176.24 1aca n ASP 48 N -1.22 0.00 -0.52 -1.43 -0.08 0.34 -0.08 116.55 113.56 1aca n ASP 48 Ca 0.17 0.00 0.43 0.00 -1.51 0.00 0.00 54.79 53.88 1aca n ASP 48 Cb 0.67 0.00 0.71 0.00 2.34 0.00 0.00 41.12 44.85 1aca n ASP 48 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1aca h PHE 49 N 0.00 0.40 -0.01 -0.67 -5.15 -1.91 0.77 116.94 110.36 1aca h PHE 49 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1aca h PHE 49 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 36.08 1aca h PHE 49 CO 0.00 -0.22 -0.16 1.17 -2.00 0.00 0.00 178.31 177.10 1aca n LYS 50 N -4.56 1.14 0.03 6.09 4.81 0.89 -3.87 118.16 122.69 1aca n LYS 50 Ca 0.41 -0.66 0.00 0.00 -0.87 0.00 0.00 58.31 57.19 1aca n LYS 50 Cb 1.67 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1aca n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aca n GLY 51 N 1.28 -0.03 0.15 3.14 0.00 0.22 -4.89 105.19 105.06 1aca n GLY 51 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -0.26 0.00 1.61 6.56 -0.52 -3.16 116.57 120.81 1aca h LYS 52 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1aca h LYS 52 Cb 0.40 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1aca h LYS 52 CO 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 179.45 177.35 1aca n ALA 53 N -2.71 0.00 0.39 3.86 0.00 -1.25 0.13 120.51 120.92 1aca n ALA 53 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1aca n ALA 53 Cb 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.96 -0.79 0.00 -0.00 -1.79 0.13 116.57 113.16 1aca h LYS 54 Ca 0.00 0.07 0.07 0.00 -0.00 0.00 0.00 60.65 60.79 1aca h LYS 54 Cb 0.00 0.22 -0.09 0.00 -0.00 0.00 0.00 32.23 32.35 1aca h LYS 54 CO 0.00 -0.64 -0.46 1.87 -0.00 0.00 0.00 179.45 180.21 1aca n TRP 55 N -5.53 -0.35 0.00 0.07 -0.00 0.34 0.07 117.44 112.04 1aca n TRP 55 Ca -0.14 0.98 0.00 0.00 -0.00 0.00 0.00 57.50 58.35 1aca n TRP 55 Cb 0.41 -0.56 0.00 0.00 -0.00 0.00 0.00 31.31 31.16 1aca n TRP 55 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1aca n ASP 56 N -4.77 0.00 -0.26 5.87 9.92 0.64 0.44 116.55 128.38 1aca n ASP 56 Ca 0.02 0.96 0.04 0.00 -0.53 0.00 0.00 54.79 55.27 1aca n ASP 56 Cb 0.20 -0.46 0.13 0.00 -0.64 0.00 0.00 41.12 40.35 1aca n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aca h ALA 57 N -1.41 0.65 0.20 2.24 0.00 0.04 0.15 119.26 121.14 1aca h ALA 57 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1aca h ALA 57 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aca h ALA 57 CO 0.00 -0.42 -0.10 2.35 0.00 0.00 0.00 179.25 181.08 1aca h TRP 58 N 0.04 -0.25 -0.33 0.00 7.01 0.07 -1.37 115.95 121.11 1aca h TRP 58 Ca 0.39 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.48 1aca h TRP 58 Cb 0.66 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 1aca h TRP 58 CO -0.52 -0.01 0.54 -0.97 -2.79 0.00 0.00 178.44 174.69 1aca h ASN 59 N -0.47 0.00 -0.21 2.65 -1.24 0.14 1.06 115.58 117.51 1aca h ASN 59 Ca -0.03 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.78 1aca h ASN 59 Cb 0.36 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.41 1aca h ASN 59 CO 0.05 0.00 -0.65 -0.08 -1.29 0.00 0.00 177.43 175.46 1aca h GLU 60 N 0.00 0.81 0.02 6.67 4.81 0.38 -3.23 114.58 124.04 1aca h GLU 60 Ca 0.16 -0.59 -0.21 0.00 -0.13 0.00 0.00 59.36 58.59 1aca h GLU 60 Cb 1.23 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1aca h GLU 60 CO -0.00 1.21 -0.96 -0.07 -0.73 0.00 0.00 179.01 178.46 1aca h LEU 61 N 0.57 0.11 0.00 1.64 3.38 0.12 -3.41 115.31 117.72 1aca h LEU 61 Ca -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1aca h LEU 61 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1aca h LEU 61 CO 0.14 1.00 0.00 1.17 0.09 0.00 0.00 178.44 180.84 1aca n LYS 62 N -3.49 0.00 -1.16 1.13 4.81 0.98 0.19 118.16 120.61 1aca n LYS 62 Ca -0.02 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.16 1aca n LYS 62 Cb 0.88 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.98 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 -0.57 4.92 4.03 3.14 0.00 -1.26 -4.00 105.19 111.45 1aca n GLY 63 Ca 0.00 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.47 2.13 -0.18 2.61 2.01 0.51 -5.08 115.64 114.17 1aca s THR 64 Ca 0.48 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 1aca s THR 64 Cb 0.37 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1aca s THR 64 CO -0.04 0.00 0.31 -0.94 -0.69 0.00 0.00 174.62 173.26 1aca s SER 65 N -4.68 6.40 0.49 3.53 1.04 -1.26 -4.94 113.70 114.29 1aca s SER 65 Ca 0.63 0.47 0.26 0.00 0.48 0.00 0.00 55.95 57.79 1aca s SER 65 Cb -0.06 -2.19 1.34 0.00 0.10 0.00 0.00 66.02 65.21 1aca s SER 65 CO 0.40 0.04 1.88 0.11 0.98 0.00 0.00 173.24 176.65 1aca h LYS 66 N 6.97 0.14 0.11 4.02 1.57 -1.89 -1.28 116.57 126.22 1aca h LYS 66 Ca -0.39 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1aca h LYS 66 Cb 1.16 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1aca h LYS 66 CO 0.74 0.09 -0.05 0.93 -0.57 0.00 0.00 179.45 180.58 1aca h GLU 67 N 0.15 -0.15 -1.00 3.15 5.08 -1.92 0.30 114.58 120.20 1aca h GLU 67 Ca 0.44 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1aca h GLU 67 Cb 1.51 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.74 1aca h GLU 67 CO -0.07 0.30 0.66 -0.44 -1.00 0.00 0.00 179.01 178.46 1aca h ASP 68 N -0.67 1.15 -0.37 1.42 3.32 -1.71 0.38 116.42 119.94 1aca h ASP 68 Ca -0.02 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1aca h ASP 68 Cb 0.52 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 1aca h ASP 68 CO 0.03 0.83 0.05 0.00 -1.72 0.00 0.00 179.24 178.42 1aca h ALA 69 N 1.37 0.37 0.21 3.45 0.00 -1.20 0.95 119.26 124.40 1aca h ALA 69 Ca 0.37 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1aca h ALA 69 Cb -0.15 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1aca h ALA 69 CO -0.08 -0.35 -0.17 0.52 0.00 0.00 0.00 179.25 179.16 1aca h MET 70 N 0.16 -0.38 -0.03 0.00 2.86 0.31 0.60 114.93 118.45 1aca h MET 70 Ca 0.18 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1aca h MET 70 Cb 0.22 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1aca h MET 70 CO -0.26 -0.25 -0.17 1.57 1.06 0.00 0.00 176.91 178.86 1aca h LYS 71 N -0.39 -0.19 -0.81 1.72 2.10 0.40 0.51 116.57 119.91 1aca h LYS 71 Ca -0.01 0.01 0.15 0.00 -2.00 0.00 0.00 60.65 58.81 1aca h LYS 71 Cb 0.35 0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 31.63 1aca h LYS 71 CO -0.02 -0.12 0.37 0.00 -2.00 0.00 0.00 179.45 177.68 1aca h ALA 72 N -1.09 1.20 0.44 0.07 0.00 -0.81 0.34 119.26 119.40 1aca h ALA 72 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1aca h ALA 72 Cb 0.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1aca h ALA 72 CO -0.13 -0.17 -0.23 -0.92 0.00 0.00 0.00 179.25 177.79 1aca h TYR 73 N 0.52 -0.62 -0.50 0.00 3.20 0.13 -0.93 116.97 118.78 1aca h TYR 73 Ca 0.45 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.38 1aca h TYR 73 Cb 0.68 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 39.07 1aca h TYR 73 CO -0.13 -0.37 -0.47 0.82 -1.64 0.00 0.00 178.16 176.37 1aca h ILE 74 N -0.62 0.07 0.00 1.81 2.04 0.36 0.35 117.51 121.52 1aca h ILE 74 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1aca h ILE 74 Cb 0.48 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1aca h ILE 74 CO 0.08 0.00 0.27 0.44 0.00 0.00 0.00 178.15 178.94 1aca h ASP 75 N -0.29 0.00 0.01 1.72 5.19 -0.28 0.38 116.42 123.14 1aca h ASP 75 Ca 0.14 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.15 1aca h ASP 75 Cb 0.57 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.02 1aca h ASP 75 CO -0.64 0.00 -2.44 1.17 -3.12 0.00 0.00 179.24 174.20 1aca n LYS 76 N -2.78 0.65 -0.04 3.56 3.00 0.81 -4.09 118.16 119.28 1aca n LYS 76 Ca -0.02 0.18 -0.08 0.00 -0.00 0.00 0.00 58.31 58.38 1aca n LYS 76 Cb 0.31 -1.53 -0.02 0.00 0.00 0.00 0.00 35.03 33.79 1aca n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1aca h VAL 77 N -0.13 0.70 -0.88 3.15 2.07 0.51 -0.48 116.25 121.19 1aca h VAL 77 Ca -0.58 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.10 1aca h VAL 77 Cb 1.87 0.70 -0.16 0.00 -1.52 0.00 0.00 31.29 32.18 1aca h VAL 77 CO -0.12 0.00 -0.25 -0.62 0.02 0.00 0.00 177.57 176.60 1aca n GLU 78 N -5.25 -0.11 0.16 1.57 -0.58 0.12 -0.17 120.64 116.38 1aca n GLU 78 Ca -0.02 1.36 -0.13 0.00 -0.42 0.00 0.00 57.16 57.96 1aca n GLU 78 Cb 0.17 -2.03 -0.08 0.00 -0.57 0.00 0.00 31.44 28.93 1aca n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1aca h GLU 79 N 0.00 -0.43 -0.74 3.49 5.08 -1.37 -3.27 114.58 117.35 1aca h GLU 79 Ca 0.39 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.90 1aca h GLU 79 Cb 0.61 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.83 1aca h GLU 79 CO -0.90 -0.11 -0.38 -0.07 -1.00 0.00 0.00 179.01 176.56 1aca h LEU 80 N -0.84 -1.34 -0.88 1.33 3.38 0.91 0.16 115.31 118.04 1aca h LEU 80 Ca -0.05 0.26 0.33 0.00 0.09 0.00 0.00 57.88 58.52 1aca h LEU 80 Cb 0.52 0.67 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 1aca h LEU 80 CO 0.08 -0.30 0.34 1.17 0.09 0.00 0.00 178.44 179.81 1aca n LYS 81 N -5.44 -0.06 -0.07 1.13 4.81 0.76 -0.05 118.16 119.25 1aca n LYS 81 Ca 0.06 1.24 -0.10 0.00 -0.87 0.00 0.00 58.31 58.64 1aca n LYS 81 Cb 0.37 -2.15 -0.07 0.00 0.02 0.00 0.00 35.03 33.20 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 0.00 -0.84 1.64 1.57 -0.86 0.47 116.57 118.55 1aca h LYS 82 Ca 0.68 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.61 1aca h LYS 82 Cb 1.71 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.87 1aca h LYS 82 CO -0.72 0.51 -0.29 0.87 -0.57 0.00 0.00 179.45 179.25 1aca h LYS 83 N -1.00 -0.04 0.06 3.15 1.57 0.15 -2.06 116.57 118.40 1aca h LYS 83 Ca -0.07 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.40 1aca h LYS 83 Cb 0.67 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1aca h LYS 83 CO -0.04 -0.02 -1.71 0.66 -0.57 0.00 0.00 179.45 177.76 1aca n TYR 84 N -5.51 1.05 0.00 -1.35 4.01 0.93 -5.06 117.16 111.24 1aca n TYR 84 Ca 0.10 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1aca n TYR 84 Cb 0.41 -1.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 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 0.62 0.00 2.72 0.00 0.12 -4.93 105.19 105.44 1aca n GLY 85 Ca -0.34 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83