#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 -1.69 0.00 1.43 10.64 -1.26 -4.01 117.38 122.49 1aca n GLN 2 Ca 0.00 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1aca n GLN 2 Cb 0.00 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.50 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 -1.18 0.00 -0.12 2.61 0.00 -1.26 -4.37 120.51 116.20 1aca n ALA 3 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1aca n ALA 3 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 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 0.54 -0.03 0.00 1.02 -1.26 -4.46 120.64 116.45 1aca n GLU 4 Ca 0.00 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 1aca n GLU 4 Cb 0.00 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1aca n GLU 4 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1aca h PHE 5 N -0.36 0.10 -0.63 -0.32 3.04 -1.83 -3.25 116.94 113.68 1aca h PHE 5 Ca -0.55 -0.04 0.13 0.00 3.98 0.00 0.00 57.97 61.48 1aca h PHE 5 Cb 1.68 -0.01 -0.12 0.00 2.56 0.00 0.00 35.95 40.06 1aca h PHE 5 CO -0.02 0.74 -0.18 -0.44 -2.02 0.00 0.00 178.31 176.40 1aca h ASP 6 N -0.57 -0.65 -0.91 0.41 5.19 -1.86 0.62 116.42 118.64 1aca h ASP 6 Ca -0.01 0.20 0.22 0.00 -0.62 0.00 0.00 57.03 56.82 1aca h ASP 6 Cb 0.75 0.41 -0.06 0.00 0.18 0.00 0.00 39.33 40.61 1aca h ASP 6 CO 0.02 -0.22 0.61 0.50 -3.12 0.00 0.00 179.24 177.02 1aca h LYS 7 N -0.02 0.34 0.02 3.56 1.63 -1.78 -1.47 116.57 118.84 1aca h LYS 7 Ca 0.30 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.97 1aca h LYS 7 Cb 0.48 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1aca h LYS 7 CO -0.66 0.22 -0.46 0.00 -3.45 0.00 0.00 179.45 175.10 1aca h ALA 8 N 1.60 0.03 0.00 5.00 0.00 0.14 -3.32 119.26 122.72 1aca h ALA 8 Ca 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1aca h ALA 8 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1aca h ALA 8 CO -0.16 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1aca n ALA 9 N -2.58 1.02 -0.01 0.00 0.00 -0.31 -0.54 120.51 118.10 1aca n ALA 9 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1aca n ALA 9 Cb 0.61 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 1aca n ALA 9 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1aca n GLU 10 N -0.45 0.23 -0.31 0.00 0.28 -1.25 -3.95 120.64 115.20 1aca n GLU 10 Ca 0.00 0.09 -0.09 0.00 -0.16 0.00 0.00 57.16 57.01 1aca n GLU 10 Cb 0.00 -0.90 -0.05 0.00 1.43 0.00 0.00 31.44 31.92 1aca n GLU 10 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1aca h GLU 11 N -0.44 -0.12 -0.20 3.44 5.08 -0.91 0.94 114.58 122.37 1aca h GLU 11 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aca h GLU 11 Cb 0.44 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1aca h GLU 11 CO 0.00 -0.08 0.10 -0.24 -1.00 0.00 0.00 179.01 177.79 1aca h VAL 12 N -0.13 1.11 0.00 3.13 3.04 -1.31 -0.19 116.25 121.92 1aca h VAL 12 Ca 0.19 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1aca h VAL 12 Cb 0.52 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1aca h VAL 12 CO -0.82 0.11 0.00 0.11 -1.01 0.00 0.00 177.57 175.95 1aca h LYS 13 N 0.21 0.00 -0.20 4.17 1.79 -0.72 -0.32 116.57 121.50 1aca h LYS 13 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1aca h LYS 13 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1aca h LYS 13 CO -0.01 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.08 1aca n HIS 14 N -2.45 0.25 -1.53 -1.35 8.25 0.29 -4.91 115.22 113.77 1aca n HIS 14 Ca -0.01 -0.18 -0.14 0.00 -0.26 0.00 0.00 57.72 57.13 1aca n HIS 14 Cb 0.09 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.09 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 0.94 0.93 0.00 2.41 4.77 -0.13 -4.69 117.00 121.23 1aca n LEU 15 Ca 0.12 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1aca n LEU 15 Cb 0.44 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1aca n LEU 15 CO 0.11 -2.52 0.00 1.17 -1.33 0.00 0.00 177.39 174.81 1aca n LYS 16 N 7.88 0.00 -3.86 3.23 4.81 -1.26 -3.77 118.16 125.19 1aca n LYS 16 Ca 0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.64 1aca n LYS 16 Cb 0.38 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.27 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1aca s THR 17 N -3.24 1.00 -0.16 3.15 2.01 -1.26 -5.06 115.64 112.08 1aca s THR 17 Ca 0.00 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 1aca s THR 17 Cb 0.00 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1aca s THR 17 CO 0.00 0.04 0.39 2.29 -0.69 0.00 0.00 174.62 176.65 1aca n LYS 18 N 4.90 0.00 -0.52 4.92 2.85 -1.25 -4.82 118.16 124.25 1aca n LYS 18 Ca -0.11 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.86 1aca n LYS 18 Cb 0.47 -0.20 0.22 0.00 -0.65 0.00 0.00 35.03 34.87 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 1.14 -2.52 -1.66 -1.58 -0.02 -1.26 -4.80 135.00 124.30 1aca n PRO 19 Ca 0.10 -0.72 -0.48 0.00 -2.02 0.00 0.00 63.50 60.38 1aca n PRO 19 Cb 0.01 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 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 -4.85 0.78 -0.36 3.55 0.00 -1.26 -4.58 120.51 113.78 1aca n ALA 20 Ca 0.03 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 1aca n ALA 20 Cb 0.56 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.70 1aca n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1aca n ASP 21 N 3.95 -0.66 -0.31 0.00 9.92 -1.26 0.52 116.55 128.72 1aca n ASP 21 Ca 0.19 1.60 0.15 0.00 -0.53 0.00 0.00 54.79 56.20 1aca n ASP 21 Cb 0.26 -0.34 0.33 0.00 -0.64 0.00 0.00 41.12 40.73 1aca n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1aca h GLU 22 N 0.00 0.26 -0.18 -1.24 5.08 -1.98 0.72 114.58 117.24 1aca h GLU 22 Ca 0.29 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1aca h GLU 22 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1aca h GLU 22 CO -0.90 0.18 -0.39 0.93 -1.00 0.00 0.00 179.01 177.83 1aca h GLU 23 N 0.27 0.58 -0.36 2.33 5.08 -0.25 -0.15 114.58 122.07 1aca h GLU 23 Ca 0.59 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1aca h GLU 23 Cb 1.20 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1aca h GLU 23 CO -0.62 1.00 0.04 0.52 -1.00 0.00 0.00 179.01 178.95 1aca h MET 24 N 0.24 0.15 0.00 2.33 2.86 0.91 0.17 114.93 121.60 1aca h MET 24 Ca 0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1aca h MET 24 Cb 0.99 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1aca h MET 24 CO 0.09 0.10 -0.18 -0.07 1.06 0.00 0.00 176.91 177.91 1aca h LEU 25 N 0.15 -0.55 -0.47 1.22 3.38 0.48 0.39 115.31 119.91 1aca h LEU 25 Ca 0.18 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1aca h LEU 25 Cb 0.22 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 1aca h LEU 25 CO -0.26 -0.18 -0.42 0.15 0.09 0.00 0.00 178.44 177.83 1aca h PHE 26 N -0.23 -1.21 -0.15 1.13 3.04 -0.72 0.19 116.94 119.00 1aca h PHE 26 Ca 0.00 0.07 0.04 0.00 3.98 0.00 0.00 57.97 62.07 1aca h PHE 26 Cb 0.24 0.60 -0.07 0.00 2.56 0.00 0.00 35.95 39.28 1aca h PHE 26 CO -0.41 -0.43 -0.44 0.82 -2.02 0.00 0.00 178.31 175.84 1aca h ILE 27 N -0.28 0.12 0.15 1.41 1.08 -0.72 0.93 117.51 120.20 1aca h ILE 27 Ca 0.16 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1aca h ILE 27 Cb 0.57 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 1aca h ILE 27 CO -0.61 0.00 -0.21 0.22 -0.69 0.00 0.00 178.15 176.86 1aca h TYR 28 N -0.49 -0.59 -0.69 1.37 5.03 0.11 0.50 116.97 122.20 1aca h TYR 28 Ca 0.07 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.49 1aca h TYR 28 Cb 0.63 0.24 -0.11 0.00 1.55 0.00 0.00 36.73 39.04 1aca h TYR 28 CO -0.51 -0.26 -0.46 0.77 -1.32 0.00 0.00 178.16 176.38 1aca h SER 29 N -0.37 -1.62 -0.34 -2.11 0.02 -0.37 0.23 113.55 109.00 1aca h SER 29 Ca -0.02 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1aca h SER 29 Cb 0.34 0.74 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1aca h SER 29 CO -0.06 -0.32 0.18 0.45 -1.14 0.00 0.00 176.83 175.95 1aca h HIS 30 N -0.17 0.46 0.37 3.45 3.86 -0.72 -1.30 115.15 121.10 1aca h HIS 30 Ca 0.19 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1aca h HIS 30 Cb 0.55 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 1aca h HIS 30 CO -0.78 0.37 -0.41 -0.92 0.86 0.00 0.00 177.93 177.05 1aca h TYR 31 N 0.42 -1.11 -0.10 2.45 3.20 0.14 0.14 116.97 122.11 1aca h TYR 31 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1aca h TYR 31 Cb 0.06 0.44 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 1aca h TYR 31 CO -0.03 -0.55 -0.23 0.87 -1.64 0.00 0.00 178.16 176.58 1aca h LYS 32 N -0.80 -0.30 0.59 1.82 1.79 -0.57 -0.50 116.57 118.60 1aca h LYS 32 Ca -0.03 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1aca h LYS 32 Cb 0.73 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1aca h LYS 32 CO -0.09 -0.20 -0.48 0.37 -1.08 0.00 0.00 179.45 177.97 1aca h GLN 33 N -0.31 -1.01 -0.99 3.15 -0.00 -1.02 0.57 115.11 115.50 1aca h GLN 33 Ca 0.09 0.07 0.20 0.00 -0.00 0.00 0.00 58.65 59.01 1aca h GLN 33 Cb 0.44 0.23 -0.19 0.00 0.00 0.00 0.00 27.48 27.96 1aca h GLN 33 CO -0.28 -0.67 -0.25 0.00 0.00 0.00 0.00 178.83 177.63 1aca n ALA 34 N -2.76 0.24 -0.06 3.38 0.00 0.49 -0.45 120.51 121.34 1aca n ALA 34 Ca -0.13 1.09 -0.21 0.00 0.00 0.00 0.00 53.44 54.19 1aca n ALA 34 Cb 0.46 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.14 1aca n ALA 34 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aca h THR 35 N 0.00 0.90 0.00 0.00 1.35 -1.03 -3.43 112.91 110.70 1aca h THR 35 Ca 0.48 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1aca h THR 35 Cb 0.72 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1aca h THR 35 CO -1.02 0.52 0.00 0.52 -0.25 0.00 0.00 175.52 175.29 1aca n VAL 36 N -4.14 0.00 0.00 6.82 0.31 0.20 -5.06 118.33 116.45 1aca n VAL 36 Ca -0.30 0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1aca n VAL 36 Cb 0.79 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 2.04 1.61 3.80 2.92 0.00 0.40 -5.00 105.19 110.97 1aca n GLY 37 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 6.89 -0.08 1.61 1.11 -1.26 -4.40 116.67 116.53 1aca s ASP 38 Ca 0.00 1.05 -0.30 0.00 0.18 0.00 0.00 52.55 53.48 1aca s ASP 38 Cb 0.00 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 1aca s ASP 38 CO 0.00 0.24 1.22 -0.51 1.18 0.00 0.00 175.17 177.31 1aca s ILE 39 N -0.76 4.24 -0.05 0.77 2.07 -1.26 -4.83 121.20 121.38 1aca s ILE 39 Ca 0.26 1.55 0.22 0.00 -1.41 0.00 0.00 60.65 61.28 1aca s ILE 39 Cb -0.17 -4.00 0.42 0.00 0.13 0.00 0.00 42.46 38.84 1aca s ILE 39 CO 0.15 -0.04 1.18 -0.46 -1.91 0.00 0.00 174.94 173.86 1aca n ASN 40 N 5.57 1.16 -4.82 4.50 0.23 -1.26 -5.06 115.26 115.57 1aca n ASN 40 Ca 0.12 -2.45 -0.27 0.00 -0.53 0.00 0.00 54.58 51.44 1aca n ASN 40 Cb 0.46 -0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 37.76 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 -0.77 1.73 0.63 5.53 -4.23 -1.26 -5.15 115.64 112.12 1aca s THR 41 Ca 0.34 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1aca s THR 41 Cb 0.38 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.89 1aca s THR 41 CO -0.14 0.00 0.88 -1.61 -0.54 0.00 0.00 174.62 173.21 1aca s GLU 42 N -4.07 2.16 -0.47 3.99 2.02 -1.26 -5.09 118.70 115.98 1aca s GLU 42 Ca 0.29 -0.92 -0.16 0.00 0.02 0.00 0.00 54.97 54.19 1aca s GLU 42 Cb 0.00 -2.41 0.06 0.00 0.10 0.00 0.00 34.13 31.88 1aca s GLU 42 CO 0.17 -1.05 0.44 0.50 0.02 0.00 0.00 175.26 175.34 1aca s ARG 43 N -4.94 3.02 0.87 1.61 3.52 -1.26 -4.99 118.95 116.77 1aca s ARG 43 Ca 0.61 -1.17 -0.17 0.00 -0.13 0.00 0.00 55.73 54.88 1aca s ARG 43 Cb -0.08 -4.10 -0.13 0.00 -1.56 0.00 0.00 34.95 29.08 1aca s ARG 43 CO 0.41 -1.03 -0.52 -2.30 -0.81 0.00 0.00 175.30 171.05 1aca n PRO 44 N 5.45 -0.00 0.00 5.12 -0.02 -1.26 -4.99 135.00 139.30 1aca n PRO 44 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1aca n PRO 44 Cb 0.45 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 3.07 1.00 0.08 -1.23 0.00 -1.26 -4.79 105.19 102.05 1aca n GLY 45 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.47 -1.93 1.61 0.00 -1.26 -4.57 117.12 111.43 1aca n MET 46 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 57.70 57.62 1aca n MET 46 Cb 0.13 -1.36 0.03 0.00 0.00 0.00 0.00 33.22 32.03 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 -4.26 5.98 0.00 3.17 4.77 -1.26 -4.94 117.00 120.47 1aca n LEU 47 Ca -0.12 -4.75 0.00 0.00 -0.03 0.00 0.00 56.01 51.11 1aca n LEU 47 Cb 0.44 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1aca n LEU 47 CO 0.18 1.92 0.00 0.47 -1.33 0.00 0.00 177.39 178.63 1aca n ASP 48 N -0.69 0.00 -0.09 -1.43 9.92 -1.26 0.10 116.55 123.10 1aca n ASP 48 Ca 0.49 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.66 1aca n ASP 48 Cb 0.71 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.15 1aca n ASP 48 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1aca h PHE 49 N 0.00 -1.10 0.00 1.24 -0.00 -1.94 0.29 116.94 115.43 1aca h PHE 49 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.97 58.03 1aca h PHE 49 Cb 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 35.95 36.48 1aca h PHE 49 CO 0.00 -0.43 0.11 1.17 -0.00 0.00 0.00 178.31 179.16 1aca n LYS 50 N -5.42 0.00 0.02 6.09 4.81 0.12 -1.28 118.16 122.49 1aca n LYS 50 Ca -0.01 0.30 -0.01 0.00 -0.87 0.00 0.00 58.31 57.72 1aca n LYS 50 Cb 0.35 -1.61 -0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 -0.06 0.19 3.14 0.00 -0.53 -4.74 105.19 101.91 1aca n GLY 51 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.07 -0.44 -0.16 1.61 6.56 -0.20 -2.43 116.57 121.43 1aca h LYS 52 Ca -0.02 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 1aca h LYS 52 Cb 0.50 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.23 1aca h LYS 52 CO -0.01 -0.30 -0.06 0.00 -2.06 0.00 0.00 179.45 177.02 1aca n ALA 53 N -2.36 -0.01 0.09 3.86 0.00 -0.40 0.14 120.51 121.83 1aca n ALA 53 Ca -0.06 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 1aca n ALA 53 Cb 0.18 -0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 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 0.28 0.18 0.00 2.10 -1.73 -3.04 116.57 114.35 1aca h LYS 54 Ca 0.06 -0.47 -0.01 0.00 -2.00 0.00 0.00 60.65 58.23 1aca h LYS 54 Cb 0.10 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1aca h LYS 54 CO -0.16 1.19 -0.08 2.35 -2.00 0.00 0.00 179.45 180.74 1aca h TRP 55 N 0.08 -0.22 -1.02 0.07 7.01 0.18 0.27 115.95 122.31 1aca h TRP 55 Ca -0.18 -0.01 0.36 0.00 2.11 0.00 0.00 58.89 61.17 1aca h TRP 55 Cb 2.00 0.07 -0.11 0.00 -2.10 0.00 0.00 29.16 29.02 1aca h TRP 55 CO 0.07 -0.14 0.65 -0.25 -2.79 0.00 0.00 178.44 175.98 1aca n ASP 56 N -2.79 0.16 -0.07 2.65 8.00 0.31 0.70 116.55 125.51 1aca n ASP 56 Ca -0.03 1.05 -0.13 0.00 0.71 0.00 0.00 54.79 56.39 1aca n ASP 56 Cb 0.09 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 1aca n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aca h ALA 57 N 1.21 0.06 -0.96 2.24 0.00 -1.38 -3.11 119.26 117.31 1aca h ALA 57 Ca 0.66 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1aca h ALA 57 Cb 2.10 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 20.00 1aca h ALA 57 CO -0.36 0.17 0.61 2.35 0.00 0.00 0.00 179.25 182.02 1aca h TRP 58 N -1.00 1.12 0.00 0.00 7.01 0.40 0.39 115.95 123.87 1aca h TRP 58 Ca -0.07 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1aca h TRP 58 Cb 0.92 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1aca h TRP 58 CO 0.18 0.53 0.27 -0.97 -2.79 0.00 0.00 178.44 175.67 1aca h ASN 59 N 1.06 0.00 0.02 2.65 -0.00 -0.10 0.68 115.58 119.89 1aca h ASN 59 Ca 0.44 0.00 -0.38 0.00 -0.00 0.00 0.00 56.30 56.36 1aca h ASN 59 Cb 0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.52 1aca h ASN 59 CO -0.20 0.00 -2.40 1.21 -0.00 0.00 0.00 177.43 176.04 1aca n GLU 60 N -2.36 0.67 0.23 6.67 2.13 0.13 -4.39 120.64 123.72 1aca n GLU 60 Ca -0.01 0.10 0.14 0.00 0.66 0.00 0.00 57.16 58.05 1aca n GLU 60 Cb 0.31 -1.54 0.35 0.00 0.27 0.00 0.00 31.44 30.83 1aca n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1aca h LEU 61 N 0.00 0.00 -9.21 4.31 3.38 0.11 -3.46 115.31 110.44 1aca h LEU 61 Ca -0.55 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.81 1aca h LEU 61 Cb 2.03 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.93 1aca h LEU 61 CO -0.03 0.00 -0.61 1.17 0.09 0.00 0.00 178.44 179.06 1aca n LYS 62 N -3.01 0.34 0.00 1.13 4.81 0.72 -0.13 118.16 122.01 1aca n LYS 62 Ca 0.03 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1aca n LYS 62 Cb 0.45 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.18 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 2.00 2.89 3.75 3.14 0.00 -1.26 -5.02 105.19 110.69 1aca n GLY 63 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.45 3.04 -0.52 2.61 2.01 0.81 -4.95 115.64 117.19 1aca s THR 64 Ca 0.00 0.37 -0.16 0.00 0.31 0.00 0.00 61.69 62.21 1aca s THR 64 Cb 0.00 -2.79 0.11 0.00 0.01 0.00 0.00 72.50 69.83 1aca s THR 64 CO 0.00 -0.41 0.49 -0.94 -0.69 0.00 0.00 174.62 173.07 1aca s SER 65 N -3.05 6.18 0.00 3.53 1.04 -1.26 -4.94 113.70 115.20 1aca s SER 65 Ca 0.64 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1aca s SER 65 Cb -0.19 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1aca s SER 65 CO 0.53 -0.82 0.00 0.29 0.98 0.00 0.00 173.24 174.22 1aca n LYS 66 N 5.34 0.00 -0.22 4.02 5.02 -1.26 -0.18 118.16 130.87 1aca n LYS 66 Ca -0.13 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.20 1aca n LYS 66 Cb 0.41 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.72 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 0.87 0.00 1.97 3.07 -1.92 0.12 114.58 118.68 1aca h GLU 67 Ca 0.00 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1aca h GLU 67 Cb 0.00 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1aca h GLU 67 CO 0.00 0.57 -0.33 -0.44 -1.40 0.00 0.00 179.01 177.41 1aca h ASP 68 N 0.89 0.00 -0.09 1.42 3.32 -0.98 -1.38 116.42 119.60 1aca h ASP 68 Ca 0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1aca h ASP 68 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1aca h ASP 68 CO -0.11 0.33 0.02 0.00 -1.72 0.00 0.00 179.24 177.76 1aca h ALA 69 N 1.67 0.12 -0.45 3.45 0.00 -0.90 -3.09 119.26 120.06 1aca h ALA 69 Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1aca h ALA 69 Cb 0.62 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1aca h ALA 69 CO 0.04 -0.24 -0.49 0.52 0.00 0.00 0.00 179.25 179.09 1aca h MET 70 N -0.07 -0.32 -0.26 0.00 2.86 -0.42 -0.27 114.93 116.45 1aca h MET 70 Ca 0.03 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1aca h MET 70 Cb 0.27 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1aca h MET 70 CO 0.00 -0.21 0.01 1.63 1.06 0.00 0.00 176.91 179.40 1aca n LYS 71 N -5.39 -0.02 -0.13 1.72 5.02 -0.63 0.18 118.16 118.91 1aca n LYS 71 Ca -0.01 0.39 -0.26 0.00 -2.02 0.00 0.00 58.31 56.41 1aca n LYS 71 Cb 0.35 -0.62 -0.11 0.00 -0.02 0.00 0.00 35.03 34.63 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 -3.51 1.20 -0.28 7.82 0.00 -1.01 -4.09 120.51 120.63 1aca n ALA 72 Ca 0.06 -1.02 -0.07 0.00 0.00 0.00 0.00 53.44 52.41 1aca n ALA 72 Cb 0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 1aca n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1aca n TYR 73 N -3.99 -0.29 0.00 0.00 9.36 0.13 -0.26 117.16 122.11 1aca n TYR 73 Ca -0.49 0.83 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1aca n TYR 73 Cb 0.90 -0.55 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 1aca n TYR 73 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1aca n ILE 74 N -4.79 0.00 -0.35 2.97 5.41 -0.05 0.33 119.36 122.89 1aca n ILE 74 Ca 0.01 1.39 0.10 0.00 1.00 0.00 0.00 62.75 65.26 1aca n ILE 74 Cb 0.17 -2.08 0.21 0.00 -0.71 0.00 0.00 39.64 37.24 1aca n ILE 74 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1aca n ASP 75 N -2.25 -0.23 -0.35 4.38 9.92 -0.11 0.12 116.55 128.03 1aca n ASP 75 Ca 0.00 1.67 -0.02 0.00 -0.53 0.00 0.00 54.79 55.92 1aca n ASP 75 Cb 0.00 -0.56 0.11 0.00 -0.64 0.00 0.00 41.12 40.04 1aca n ASP 75 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1aca h LYS 76 N 0.00 1.20 -0.20 -1.24 3.11 0.51 0.22 116.57 120.17 1aca h LYS 76 Ca 0.53 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 58.25 1aca h LYS 76 Cb 0.97 -0.27 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 1aca h LYS 76 CO -0.97 0.79 -0.06 0.28 -2.81 0.00 0.00 179.45 176.69 1aca h VAL 77 N 1.24 1.29 -0.47 2.00 2.07 0.57 -2.12 116.25 120.83 1aca h VAL 77 Ca 0.36 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.86 1aca h VAL 77 Cb -0.07 1.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1aca h VAL 77 CO -0.10 0.32 -0.52 -0.08 0.02 0.00 0.00 177.57 177.21 1aca h GLU 78 N 0.10 -0.29 -0.48 1.57 4.22 0.14 -1.03 114.58 118.81 1aca h GLU 78 Ca 0.05 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.56 1aca h GLU 78 Cb 0.52 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 1aca h GLU 78 CO 0.02 -0.20 -0.38 0.93 -2.18 0.00 0.00 179.01 177.20 1aca h GLU 79 N -0.31 -0.12 -0.62 1.92 5.08 -0.56 -2.67 114.58 117.31 1aca h GLU 79 Ca 0.08 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1aca h GLU 79 Cb 0.52 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 1aca h GLU 79 CO -0.61 -0.08 -0.47 -0.07 -1.00 0.00 0.00 179.01 176.78 1aca h LEU 80 N -0.13 -1.63 -0.68 1.33 3.38 -0.60 -1.43 115.31 115.55 1aca h LEU 80 Ca 0.08 0.26 0.26 0.00 0.09 0.00 0.00 57.88 58.57 1aca h LEU 80 Cb 0.33 0.73 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1aca h LEU 80 CO -0.52 -0.33 0.39 1.17 0.09 0.00 0.00 178.44 179.24 1aca n LYS 81 N -5.39 -0.03 -0.09 1.13 4.81 -0.48 0.06 118.16 118.16 1aca n LYS 81 Ca 0.01 0.80 -0.18 0.00 -0.87 0.00 0.00 58.31 58.07 1aca n LYS 81 Cb 0.34 -1.49 -0.10 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.86 1.64 1.57 -1.36 0.36 116.57 117.92 1aca h LYS 82 Ca 0.52 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.47 1aca h LYS 82 Cb 1.47 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.62 1aca h LYS 82 CO -0.40 0.85 -0.22 0.87 -0.57 0.00 0.00 179.45 179.97 1aca h LYS 83 N -1.00 -0.00 0.04 3.15 1.57 0.10 -2.34 116.57 118.08 1aca h LYS 83 Ca -0.26 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.15 1aca h LYS 83 Cb 1.14 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 1aca h LYS 83 CO -0.16 -0.00 -2.19 0.66 -0.57 0.00 0.00 179.45 177.19 1aca n TYR 84 N -5.55 0.50 0.00 -1.35 4.01 0.30 -5.07 117.16 110.00 1aca n TYR 84 Ca 0.13 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1aca n TYR 84 Cb 0.43 -1.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 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 1.88 0.56 0.00 2.72 0.00 0.83 -4.76 105.19 106.41 1aca n GLY 85 Ca -0.42 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61