#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 1.16 0.00 4.33 0.00 -1.26 -5.02 117.38 116.59 1aca n GLN 2 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 57.00 55.04 1aca n GLN 2 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 30.24 29.09 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 -0.91 0.00 -0.13 2.61 0.00 -1.26 -4.44 120.51 116.38 1aca n ALA 3 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 1aca n ALA 3 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.63 -0.02 0.00 -0.58 -1.26 -4.17 120.64 115.24 1aca n GLU 4 Ca 0.00 0.18 -0.17 0.00 -0.42 0.00 0.00 57.16 56.75 1aca n GLU 4 Cb 0.00 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 29.27 1aca n GLU 4 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1aca h PHE 5 N -0.27 0.79 -0.39 -0.32 3.04 -1.93 -2.88 116.94 114.98 1aca h PHE 5 Ca -0.61 -0.37 0.08 0.00 3.98 0.00 0.00 57.97 61.04 1aca h PHE 5 Cb 1.82 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 40.15 1aca h PHE 5 CO -0.00 1.17 -0.09 -0.44 -2.02 0.00 0.00 178.31 176.93 1aca h ASP 6 N 0.19 -0.34 -0.16 0.41 5.19 -1.93 0.30 116.42 120.08 1aca h ASP 6 Ca -0.05 0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1aca h ASP 6 Cb 1.27 0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.97 1aca h ASP 6 CO 0.13 -0.12 -0.34 0.50 -3.12 0.00 0.00 179.24 176.28 1aca h LYS 7 N 0.01 -0.30 -0.51 3.56 3.64 -1.72 -1.04 116.57 120.21 1aca h LYS 7 Ca 0.19 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 1aca h LYS 7 Cb 0.28 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 1aca h LYS 7 CO -0.39 -0.20 -0.37 0.00 -2.27 0.00 0.00 179.45 176.22 1aca h ALA 8 N -0.64 -0.19 0.00 5.00 0.00 -0.98 0.41 119.26 122.86 1aca h ALA 8 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1aca h ALA 8 Cb 0.40 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aca h ALA 8 CO -0.31 -0.75 0.53 0.00 0.00 0.00 0.00 179.25 178.72 1aca h ALA 9 N 0.78 1.52 0.00 0.00 0.00 0.80 0.33 119.26 122.67 1aca h ALA 9 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1aca h ALA 9 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1aca h ALA 9 CO -0.63 -0.52 -0.92 0.39 0.00 0.00 0.00 179.25 177.57 1aca n GLU 10 N -2.69 0.52 -0.38 0.00 -0.58 0.76 -3.97 120.64 114.30 1aca n GLU 10 Ca -0.01 0.26 -0.10 0.00 -0.42 0.00 0.00 57.16 56.89 1aca n GLU 10 Cb 0.56 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.87 1aca n GLU 10 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1aca h GLU 11 N -1.00 -0.00 -0.58 3.49 5.08 0.90 0.18 114.58 122.65 1aca h GLU 11 Ca -0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1aca h GLU 11 Cb 0.92 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 1aca h GLU 11 CO -0.00 -0.00 -0.01 -0.24 -1.00 0.00 0.00 179.01 177.76 1aca h VAL 12 N -0.00 0.52 0.00 3.13 3.04 -0.65 0.62 116.25 122.91 1aca h VAL 12 Ca 0.14 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1aca h VAL 12 Cb 0.37 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1aca h VAL 12 CO -0.84 0.02 0.00 0.11 -1.01 0.00 0.00 177.57 175.85 1aca h LYS 13 N 0.11 0.00 -0.06 4.17 1.57 -0.83 0.18 116.57 121.72 1aca h LYS 13 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1aca h LYS 13 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1aca h LYS 13 CO -0.50 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.10 1aca n HIS 14 N -2.41 0.04 -2.10 -1.35 8.25 0.21 -4.75 115.22 113.11 1aca n HIS 14 Ca -0.01 -0.02 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 1aca n HIS 14 Cb 0.09 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.94 3.17 0.00 2.41 1.43 0.05 -4.71 118.68 119.08 1aca s LEU 15 Ca 0.29 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1aca s LEU 15 Cb 0.20 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1aca s LEU 15 CO 0.30 -2.75 0.00 0.29 0.23 0.00 0.00 176.35 174.42 1aca n LYS 16 N 8.64 0.00 -3.88 1.70 4.76 -1.26 -3.41 118.16 124.72 1aca n LYS 16 Ca 0.42 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.51 1aca n LYS 16 Cb 0.47 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.53 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1aca s THR 17 N -3.00 2.90 -0.34 -0.18 2.01 -1.26 -5.05 115.64 110.73 1aca s THR 17 Ca 0.00 -2.10 -0.14 0.00 0.31 0.00 0.00 61.69 59.76 1aca s THR 17 Cb 0.00 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.42 1aca s THR 17 CO 0.00 -0.61 1.01 2.29 -0.69 0.00 0.00 174.62 176.62 1aca n LYS 18 N 4.47 0.00 -0.72 4.92 2.85 -1.22 -4.75 118.16 123.71 1aca n LYS 18 Ca -0.01 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.93 1aca n LYS 18 Cb 0.42 -0.60 0.15 0.00 -0.65 0.00 0.00 35.03 34.35 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 3.27 -0.88 -1.58 -1.58 -0.02 -1.26 -4.77 135.00 128.18 1aca n PRO 19 Ca 0.25 -0.22 -0.52 0.00 -2.02 0.00 0.00 63.50 60.99 1aca n PRO 19 Cb 0.00 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 -4.03 -1.19 -0.40 3.55 0.00 -1.26 -4.56 120.51 112.62 1aca n ALA 20 Ca 0.05 0.51 0.39 0.00 0.00 0.00 0.00 53.44 54.39 1aca n ALA 20 Cb 0.56 -2.03 0.77 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 4.14 0.00 -0.14 0.00 3.32 -1.98 0.78 116.42 122.54 1aca h ASP 21 Ca -0.47 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.38 1aca h ASP 21 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1aca h ASP 21 CO 0.75 -0.00 -0.66 -0.33 -1.72 0.00 0.00 179.24 177.28 1aca h GLU 22 N 0.00 0.76 -0.02 3.56 3.07 -1.98 0.48 114.58 120.45 1aca h GLU 22 Ca 0.64 -0.55 -0.13 0.00 -0.50 0.00 0.00 59.36 58.81 1aca h GLU 22 Cb 2.56 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 30.54 1aca h GLU 22 CO -0.01 1.17 -0.61 0.93 -1.40 0.00 0.00 179.01 179.09 1aca h GLU 23 N 0.56 0.06 0.45 2.33 4.39 0.08 -1.77 114.58 120.68 1aca h GLU 23 Ca -0.02 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1aca h GLU 23 Cb 1.27 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1aca h GLU 23 CO 0.14 0.65 -0.22 0.52 -1.16 0.00 0.00 179.01 178.94 1aca h MET 24 N 0.04 -0.58 -0.49 2.33 2.86 -0.24 -0.76 114.93 118.09 1aca h MET 24 Ca -0.01 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1aca h MET 24 Cb 1.09 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.82 1aca h MET 24 CO 0.08 -0.31 -0.29 1.28 1.06 0.00 0.00 176.91 178.74 1aca n LEU 25 N -5.28 -0.52 0.06 1.22 4.77 0.16 0.13 117.00 117.55 1aca n LEU 25 Ca -0.11 1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.89 1aca n LEU 25 Cb 0.29 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1aca n LEU 25 CO 0.34 -0.84 0.82 0.15 -1.33 0.00 0.00 177.39 176.52 1aca h PHE 26 N 0.00 -0.19 0.03 -1.77 3.04 -1.22 -2.96 116.94 113.87 1aca h PHE 26 Ca 0.08 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.06 1aca h PHE 26 Cb 0.20 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.74 1aca h PHE 26 CO -0.76 -0.12 -0.45 0.82 -2.02 0.00 0.00 178.31 175.78 1aca h ILE 27 N -0.15 0.11 -0.52 1.41 1.08 0.81 -3.04 117.51 117.22 1aca h ILE 27 Ca 0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 1aca h ILE 27 Cb 0.17 0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 33.95 1aca h ILE 27 CO -0.05 0.00 -0.45 0.22 -0.69 0.00 0.00 178.15 177.17 1aca h TYR 28 N -0.63 -1.42 -0.47 1.37 3.20 -0.19 0.55 116.97 119.39 1aca h TYR 28 Ca 0.03 0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1aca h TYR 28 Cb 0.68 0.69 -0.06 0.00 1.54 0.00 0.00 36.73 39.59 1aca h TYR 28 CO -0.43 -0.35 -0.28 -1.13 -1.64 0.00 0.00 178.16 174.33 1aca n SER 29 N -4.81 -0.50 0.08 -2.11 3.41 -1.13 -0.33 113.62 108.24 1aca n SER 29 Ca -0.01 1.28 -0.12 0.00 -0.26 0.00 0.00 58.87 59.77 1aca n SER 29 Cb 0.25 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 1aca n SER 29 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1aca h HIS 30 N 0.00 -0.47 -0.27 7.33 3.86 -1.45 -0.30 115.15 123.85 1aca h HIS 30 Ca 0.07 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1aca h HIS 30 Cb 0.19 0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.78 1aca h HIS 30 CO -0.91 -0.26 -0.44 -0.92 0.86 0.00 0.00 177.93 176.26 1aca h TYR 31 N -0.33 -1.29 0.59 2.45 3.20 0.30 0.40 116.97 122.30 1aca h TYR 31 Ca 0.04 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1aca h TYR 31 Cb 0.36 0.60 0.01 0.00 1.54 0.00 0.00 36.73 39.24 1aca h TYR 31 CO -0.20 -0.47 -0.29 0.87 -1.64 0.00 0.00 178.16 176.44 1aca h LYS 32 N -0.42 -0.77 -0.19 1.82 1.79 -0.57 0.13 116.57 118.35 1aca h LYS 32 Ca 0.10 0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 1aca h LYS 32 Cb 0.61 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 31.40 1aca h LYS 32 CO -0.49 -0.51 -0.04 0.37 -1.08 0.00 0.00 179.45 177.69 1aca h GLN 33 N -0.80 0.01 -0.76 3.15 -0.00 -0.83 0.95 115.11 116.84 1aca h GLN 33 Ca -0.08 -0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.69 1aca h GLN 33 Cb 0.62 -0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.01 1aca h GLN 33 CO 0.13 0.00 0.36 0.00 0.00 0.00 0.00 178.83 179.33 1aca h ALA 34 N 1.19 1.07 0.00 3.38 0.00 -0.69 -0.68 119.26 123.53 1aca h ALA 34 Ca 0.09 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1aca h ALA 34 Cb 0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1aca h ALA 34 CO -0.19 -0.10 -1.07 1.79 0.00 0.00 0.00 179.25 179.67 1aca h THR 35 N 0.57 0.93 0.00 0.00 1.35 -0.46 -3.44 112.91 111.85 1aca h THR 35 Ca 0.39 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1aca h THR 35 Cb 0.50 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1aca h THR 35 CO -0.33 0.31 0.00 0.52 -0.25 0.00 0.00 175.52 175.78 1aca n VAL 36 N -4.47 0.00 0.00 6.82 0.31 0.33 -5.07 118.33 116.25 1aca n VAL 36 Ca -0.28 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1aca n VAL 36 Cb 0.63 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 2.16 1.32 3.86 2.92 0.00 -0.27 -4.97 105.19 110.21 1aca n GLY 37 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 4.71 -0.21 1.61 1.11 -1.08 -4.15 116.67 114.67 1aca s ASP 38 Ca 0.00 1.05 -0.06 0.00 0.18 0.00 0.00 52.55 53.73 1aca s ASP 38 Cb 0.00 -1.73 -0.03 0.00 1.07 0.00 0.00 42.92 42.23 1aca s ASP 38 CO 0.00 -1.80 0.03 -0.51 1.18 0.00 0.00 175.17 174.07 1aca s ILE 39 N -3.36 4.20 -0.16 0.77 2.07 -1.26 -4.94 121.20 118.52 1aca s ILE 39 Ca 0.61 -0.23 0.18 0.00 -1.41 0.00 0.00 60.65 59.80 1aca s ILE 39 Cb -0.12 -2.91 0.45 0.00 0.13 0.00 0.00 42.46 40.01 1aca s ILE 39 CO 0.52 0.42 1.18 -0.46 -1.91 0.00 0.00 174.94 174.68 1aca n ASN 40 N 4.23 1.95 -4.80 4.50 0.23 -1.26 -5.06 115.26 115.05 1aca n ASN 40 Ca -0.17 -2.82 -0.28 0.00 -0.53 0.00 0.00 54.58 50.78 1aca n ASN 40 Cb 0.52 -0.41 -0.01 0.00 -2.08 0.00 0.00 39.78 37.80 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 -0.37 0.00 -4.14 5.53 -2.24 -1.26 -5.16 114.28 106.64 1aca n THR 41 Ca 0.16 -2.23 -0.24 0.00 -2.27 0.00 0.00 64.05 59.47 1aca n THR 41 Cb 0.92 0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 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 -4.17 2.27 -0.80 -0.78 -1.05 -1.26 -5.12 118.70 107.80 1aca s GLU 42 Ca 0.24 -1.68 -0.11 0.00 -0.15 0.00 0.00 54.97 53.27 1aca s GLU 42 Cb -0.02 -2.07 0.21 0.00 -0.44 0.00 0.00 34.13 31.81 1aca s GLU 42 CO 0.16 0.03 0.72 0.50 0.95 0.00 0.00 175.26 177.61 1aca s ARG 43 N -3.85 3.41 0.42 -4.83 3.52 -1.26 -4.84 118.95 111.52 1aca s ARG 43 Ca 0.39 -2.53 -0.12 0.00 -0.13 0.00 0.00 55.73 53.34 1aca s ARG 43 Cb -0.00 -4.28 -0.08 0.00 -1.56 0.00 0.00 34.95 29.03 1aca s ARG 43 CO 0.22 -1.26 -0.65 -2.30 -0.81 0.00 0.00 175.30 170.49 1aca n PRO 44 N 3.77 0.00 0.12 5.12 -0.02 -1.26 -4.85 135.00 137.88 1aca n PRO 44 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1aca n PRO 44 Cb 0.45 -0.42 0.00 0.00 -0.02 0.00 0.00 33.50 33.51 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 1.47 -0.24 0.05 -1.23 0.00 -1.26 -4.69 105.19 99.29 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 -0.05 -2.93 1.61 -0.00 -2.02 -2.88 114.93 108.66 1aca h MET 46 Ca 0.00 0.00 -0.76 0.00 -0.00 0.00 0.00 59.70 58.94 1aca h MET 46 Cb 0.02 0.01 -0.31 0.00 -0.00 0.00 0.00 31.60 31.32 1aca h MET 46 CO 0.00 -0.03 0.41 1.28 -0.00 0.00 0.00 176.91 178.56 1aca n LEU 47 N -2.99 5.60 0.00 -0.10 4.32 -1.26 -4.94 117.00 117.63 1aca n LEU 47 Ca -0.01 -5.22 0.00 0.00 -0.02 0.00 0.00 56.01 50.76 1aca n LEU 47 Cb 0.04 -1.18 0.00 0.00 -1.62 0.00 0.00 43.42 40.66 1aca n LEU 47 CO 0.00 1.69 0.03 -0.90 -1.22 0.00 0.00 177.39 177.00 1aca n ASP 48 N 1.54 0.00 0.05 -1.43 5.68 -1.09 -0.66 116.55 120.64 1aca n ASP 48 Ca 0.26 0.06 -0.11 0.00 -0.50 0.00 0.00 54.79 54.50 1aca n ASP 48 Cb 0.36 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.26 1aca n ASP 48 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1aca h PHE 49 N 0.00 -1.07 0.00 2.11 -0.00 -1.92 0.39 116.94 116.45 1aca h PHE 49 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 1aca h PHE 49 Cb 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 35.95 36.41 1aca h PHE 49 CO -0.01 -0.40 0.51 -0.22 -0.00 0.00 0.00 178.31 178.18 1aca h LYS 50 N -0.48 0.00 0.00 6.09 3.11 -1.65 0.25 116.57 123.89 1aca h LYS 50 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1aca h LYS 50 Cb 0.51 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.70 1aca h LYS 50 CO -0.22 0.00 -1.82 0.41 -2.81 0.00 0.00 179.45 175.00 1aca n GLY 51 N -1.30 -0.47 0.07 5.01 0.00 0.16 -4.76 105.19 103.92 1aca n GLY 51 Ca -0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.95 0.00 -0.02 1.61 1.57 0.51 -3.36 116.57 115.93 1aca h LYS 52 Ca -0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1aca h LYS 52 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 1aca h LYS 52 CO -0.23 1.00 -0.01 0.00 -0.57 0.00 0.00 179.45 179.64 1aca n ALA 53 N -2.70 -0.01 0.02 3.86 0.00 0.83 0.10 120.51 122.61 1aca n ALA 53 Ca -0.12 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1aca n ALA 53 Cb 0.50 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.59 0.11 0.00 2.10 -1.77 0.34 116.57 116.76 1aca h LYS 54 Ca 0.00 0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.70 1aca h LYS 54 Cb 0.01 0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 31.43 1aca h LYS 54 CO -0.02 -0.39 -0.47 2.35 -2.00 0.00 0.00 179.45 178.91 1aca h TRP 55 N -0.61 -1.38 -0.23 0.07 7.01 0.51 0.13 115.95 121.44 1aca h TRP 55 Ca 0.03 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1aca h TRP 55 Cb 0.70 0.59 -0.05 0.00 -2.10 0.00 0.00 29.16 28.29 1aca h TRP 55 CO -0.55 -0.54 -0.34 -0.44 -2.79 0.00 0.00 178.44 173.78 1aca h ASP 56 N -0.67 -1.14 -0.50 2.65 3.32 -0.51 0.37 116.42 119.93 1aca h ASP 56 Ca -0.01 0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.29 1aca h ASP 56 Cb 0.68 0.47 -0.10 0.00 0.22 0.00 0.00 39.33 40.59 1aca h ASP 56 CO -0.26 -0.26 -0.19 0.00 -1.72 0.00 0.00 179.24 176.81 1aca h ALA 57 N -0.55 0.20 -0.03 3.45 0.00 -0.08 -2.94 119.26 119.31 1aca h ALA 57 Ca 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1aca h ALA 57 Cb 0.37 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1aca h ALA 57 CO -0.36 -0.52 -0.01 2.35 0.00 0.00 0.00 179.25 180.72 1aca h TRP 58 N -0.08 0.06 -0.65 0.00 7.01 -0.02 -3.13 115.95 119.15 1aca h TRP 58 Ca 0.24 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.41 1aca h TRP 58 Cb 0.44 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 1aca h TRP 58 CO -0.48 0.40 0.93 -0.97 -2.79 0.00 0.00 178.44 175.53 1aca h ASN 59 N -0.29 0.00 0.25 2.65 -1.24 -0.10 0.37 115.58 117.22 1aca h ASN 59 Ca 0.01 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1aca h ASN 59 Cb 0.38 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1aca h ASN 59 CO 0.00 0.00 -0.34 -0.08 -1.29 0.00 0.00 177.43 175.72 1aca h GLU 60 N 0.00 0.14 0.00 6.67 4.81 -1.52 -2.98 114.58 121.70 1aca h GLU 60 Ca 0.31 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1aca h GLU 60 Cb 2.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.54 1aca h GLU 60 CO -0.00 0.47 -1.57 1.28 -0.73 0.00 0.00 179.01 178.46 1aca n LEU 61 N -4.10 0.40 0.00 1.64 4.77 0.12 -4.81 117.00 115.02 1aca n LEU 61 Ca -0.01 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1aca n LEU 61 Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1aca n LEU 61 CO 0.40 0.08 0.00 1.17 -1.33 0.00 0.00 177.39 177.71 1aca n LYS 62 N -2.00 0.00 -1.36 3.23 4.81 -0.78 0.10 118.16 122.16 1aca n LYS 62 Ca -0.01 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.08 1aca n LYS 62 Cb 0.48 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.61 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 -0.65 5.85 3.88 3.14 0.00 -1.26 -2.64 105.19 113.51 1aca n GLY 63 Ca 0.00 -2.31 -0.20 0.00 0.00 0.00 0.00 46.02 43.50 1aca n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aca n THR 64 N -0.90 0.00 -3.19 2.61 -1.04 0.29 -5.08 114.28 106.97 1aca n THR 64 Ca 0.62 -1.83 -0.39 0.00 -2.04 0.00 0.00 64.05 60.42 1aca n THR 64 Cb 0.64 -0.62 -0.05 0.00 -1.82 0.00 0.00 70.33 68.47 1aca n THR 64 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1aca s SER 65 N -4.70 6.94 0.46 8.00 1.04 -1.26 -4.92 113.70 119.26 1aca s SER 65 Ca 0.62 1.12 0.19 0.00 0.48 0.00 0.00 55.95 58.36 1aca s SER 65 Cb -0.05 -2.36 1.17 0.00 0.10 0.00 0.00 66.02 64.88 1aca s SER 65 CO 0.40 0.05 1.92 0.11 0.98 0.00 0.00 173.24 176.70 1aca h LYS 66 N 5.98 0.28 0.48 4.02 1.57 -1.88 -1.72 116.57 125.31 1aca h LYS 66 Ca -0.44 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1aca h LYS 66 Cb 1.20 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1aca h LYS 66 CO 0.71 0.19 -0.23 0.93 -0.57 0.00 0.00 179.45 180.48 1aca h GLU 67 N 0.29 -0.62 -0.87 3.15 3.07 -1.91 0.15 114.58 117.85 1aca h GLU 67 Ca 0.37 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.33 1aca h GLU 67 Cb 1.01 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 29.00 1aca h GLU 67 CO -0.09 -0.31 0.54 0.22 -1.40 0.00 0.00 179.01 177.96 1aca h ASP 68 N -0.90 0.84 -0.40 1.42 3.58 -1.79 0.22 116.42 119.39 1aca h ASP 68 Ca -0.07 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.48 1aca h ASP 68 Cb 0.59 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.40 1aca h ASP 68 CO 0.11 0.54 -0.09 0.00 -2.88 0.00 0.00 179.24 176.91 1aca h ALA 69 N 1.41 0.28 0.35 -0.78 0.00 -1.21 -1.17 119.26 118.14 1aca h ALA 69 Ca 0.38 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 1aca h ALA 69 Cb 0.18 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1aca h ALA 69 CO -0.18 -0.45 -0.36 0.52 0.00 0.00 0.00 179.25 178.79 1aca h MET 70 N 0.01 -0.71 -0.96 0.00 2.86 0.23 0.36 114.93 116.72 1aca h MET 70 Ca 0.19 0.05 0.13 0.00 -2.06 0.00 0.00 59.70 58.01 1aca h MET 70 Cb 0.29 0.16 -0.14 0.00 0.06 0.00 0.00 31.60 31.98 1aca h MET 70 CO -0.41 -0.47 -0.45 1.63 1.06 0.00 0.00 176.91 178.27 1aca n LYS 71 N -5.46 -0.30 -0.03 1.72 4.76 -0.17 0.17 118.16 118.85 1aca n LYS 71 Ca -0.10 1.47 -0.16 0.00 -2.87 0.00 0.00 58.31 56.65 1aca n LYS 71 Cb 0.36 -2.18 -0.08 0.00 -1.84 0.00 0.00 35.03 31.29 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 1.02 0.21 -0.17 7.82 0.00 -1.23 -1.99 119.26 124.91 1aca h ALA 72 Ca 0.27 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1aca h ALA 72 Cb 0.51 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1aca h ALA 72 CO -0.94 0.41 -0.37 -0.92 0.00 0.00 0.00 179.25 177.44 1aca h TYR 73 N 0.16 -1.12 -0.11 0.00 3.20 0.20 0.13 116.97 119.44 1aca h TYR 73 Ca -0.04 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1aca h TYR 73 Cb 1.18 0.51 -0.03 0.00 1.54 0.00 0.00 36.73 39.93 1aca h TYR 73 CO 0.11 -0.35 -0.20 0.82 -1.64 0.00 0.00 178.16 176.90 1aca h ILE 74 N -0.34 0.00 -1.23 1.81 2.04 -0.35 0.31 117.51 119.76 1aca h ILE 74 Ca 0.03 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.33 1aca h ILE 74 Cb 0.43 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.37 1aca h ILE 74 CO -0.34 0.00 0.75 0.44 0.00 0.00 0.00 178.15 179.00 1aca h ASP 75 N -0.17 0.27 0.55 1.72 5.19 -0.89 0.75 116.42 123.85 1aca h ASP 75 Ca 0.02 0.18 -0.27 0.00 -0.62 0.00 0.00 57.03 56.34 1aca h ASP 75 Cb 0.23 0.18 0.01 0.00 0.18 0.00 0.00 39.33 39.92 1aca h ASP 75 CO -0.19 -0.27 -1.22 0.50 -3.12 0.00 0.00 179.24 174.94 1aca h LYS 76 N 0.06 0.32 -0.48 3.56 1.63 0.21 0.15 116.57 122.02 1aca h LYS 76 Ca 0.84 -0.50 -0.05 0.00 -0.85 0.00 0.00 60.65 60.08 1aca h LYS 76 Cb 2.49 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 34.29 1aca h LYS 76 CO -0.55 1.22 0.09 0.28 -3.45 0.00 0.00 179.45 177.05 1aca h VAL 77 N 0.11 1.25 0.14 2.00 2.07 0.37 -1.47 116.25 120.71 1aca h VAL 77 Ca -0.14 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1aca h VAL 77 Cb 1.93 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 1aca h VAL 77 CO 0.20 0.32 -0.36 -0.33 0.02 0.00 0.00 177.57 177.43 1aca h GLU 78 N 0.66 -0.58 -0.81 1.57 4.39 0.18 -1.04 114.58 118.95 1aca h GLU 78 Ca 0.15 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.97 1aca h GLU 78 Cb 0.37 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.05 1aca h GLU 78 CO 0.01 -0.39 -0.45 0.39 -1.16 0.00 0.00 179.01 177.41 1aca n GLU 79 N -5.44 -0.33 -0.09 2.33 -0.58 0.51 -1.67 120.64 115.38 1aca n GLU 79 Ca -0.07 1.23 -0.12 0.00 -0.42 0.00 0.00 57.16 57.78 1aca n GLU 79 Cb 0.35 -1.81 -0.07 0.00 -0.57 0.00 0.00 31.44 29.34 1aca n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1aca h LEU 80 N 0.00 -1.53 -0.40 -4.62 3.38 -0.24 -2.91 115.31 108.99 1aca h LEU 80 Ca 0.16 0.21 0.14 0.00 0.09 0.00 0.00 57.88 58.48 1aca h LEU 80 Cb 0.36 0.64 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1aca h LEU 80 CO -0.77 -0.40 0.25 1.17 0.09 0.00 0.00 178.44 178.78 1aca n LYS 81 N -5.42 -0.01 -0.07 1.13 4.81 -0.67 0.10 118.16 118.04 1aca n LYS 81 Ca -0.03 0.38 -0.08 0.00 -0.87 0.00 0.00 58.31 57.72 1aca n LYS 81 Cb 0.36 -0.74 -0.05 0.00 0.02 0.00 0.00 35.03 34.61 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 -0.46 1.64 1.57 -1.63 -0.24 116.57 117.45 1aca h LYS 82 Ca 0.26 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 1aca h LYS 82 Cb 0.83 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.05 1aca h LYS 82 CO -0.15 0.37 -0.13 0.87 -0.57 0.00 0.00 179.45 179.84 1aca h LYS 83 N -1.00 -0.02 0.00 3.15 1.57 0.71 -3.35 116.57 117.63 1aca h LYS 83 Ca -0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1aca h LYS 83 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1aca h LYS 83 CO -0.03 -0.01 -1.65 0.66 -0.57 0.00 0.00 179.45 177.84 1aca n TYR 84 N -5.35 0.00 0.00 -1.35 4.01 0.49 -5.10 117.16 109.86 1aca n TYR 84 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1aca n TYR 84 Cb 0.26 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 2.62 1.96 0.09 2.72 0.00 -0.10 -4.88 105.19 107.60 1aca n GLY 85 Ca -0.22 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 45.79 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83