#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio n SER -2 N 0.00 -3.95 -4.63 1.61 7.64 -1.26 -4.87 113.62 108.16 1iio n SER -2 Ca 0.00 -0.64 -0.49 0.00 1.01 0.00 0.00 58.87 58.75 1iio n SER -2 Cb 0.00 -5.05 -0.05 0.00 -1.01 0.00 0.00 64.21 58.10 1iio n SER -2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1iio n HIS -1 N -3.68 1.84 0.05 1.43 8.25 -1.26 -4.87 115.22 116.99 1iio n HIS -1 Ca -0.19 0.48 -0.02 0.00 -0.26 0.00 0.00 57.72 57.73 1iio n HIS -1 Cb 0.64 -2.42 0.23 0.00 1.12 0.00 0.00 29.99 29.57 1iio n HIS -1 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1iio h MET 1 N 5.05 0.38 -3.39 -0.41 0.00 -1.99 -3.44 114.93 111.13 1iio h MET 1 Ca -0.46 -0.14 -0.18 0.00 0.00 0.00 0.00 59.70 58.91 1iio h MET 1 Cb 1.30 -0.02 -0.26 0.00 0.00 0.00 0.00 31.60 32.62 1iio h MET 1 CO 0.82 0.63 -0.54 0.21 0.00 0.00 0.00 176.91 178.03 1iio s LYS 2 N -4.44 0.21 -0.29 1.72 2.47 -1.26 -4.54 119.74 113.61 1iio s LYS 2 Ca -0.06 0.13 0.11 0.00 -1.56 0.00 0.00 55.97 54.59 1iio s LYS 2 Cb 0.14 0.10 0.35 0.00 -1.46 0.00 0.00 37.83 36.96 1iio s LYS 2 CO 0.78 -0.03 1.47 -0.12 0.16 0.00 0.00 175.35 177.60 1iio n MET 3 N 2.81 1.17 0.00 4.03 0.00 -1.26 -5.01 117.12 118.86 1iio n MET 3 Ca -0.14 -1.18 0.00 0.00 -0.00 0.00 0.00 57.70 56.39 1iio n MET 3 Cb 0.59 0.44 0.00 0.00 0.00 0.00 0.00 33.22 34.24 1iio n MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1iio n GLY 4 N -1.33 0.87 0.00 -5.12 0.00 -1.26 -4.70 105.19 93.65 1iio n GLY 4 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1iio n GLY 4 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1iio n VAL 5 N 0.00 1.16 -0.24 1.61 3.14 -1.26 -3.05 118.33 119.69 1iio n VAL 5 Ca 0.00 0.31 -0.01 0.00 -2.96 0.00 0.00 64.34 61.68 1iio n VAL 5 Cb 0.00 -1.31 0.06 0.00 -1.06 0.00 0.00 33.84 31.53 1iio n VAL 5 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1iio h LYS 6 N 0.00 -0.04 0.00 1.45 3.64 -1.97 0.75 116.57 120.39 1iio h LYS 6 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1iio h LYS 6 Cb 0.04 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1iio h LYS 6 CO 0.00 -0.03 -0.53 1.49 -2.27 0.00 0.00 179.45 178.11 1iio h GLU 7 N -0.04 0.00 0.15 1.90 4.81 -1.95 -2.47 114.58 116.99 1iio h GLU 7 Ca 0.32 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1iio h GLU 7 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1iio h GLU 7 CO -0.72 0.53 -0.07 -0.44 -0.73 0.00 0.00 179.01 177.57 1iio h ASP 8 N 0.00 -0.18 -0.48 1.04 5.19 0.05 0.36 116.42 122.41 1iio h ASP 8 Ca -0.01 -0.30 -0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1iio h ASP 8 Cb 1.30 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 1iio h ASP 8 CO 0.07 0.23 0.02 0.40 -3.12 0.00 0.00 179.24 176.84 1iio h ILE 9 N -0.62 1.26 -0.01 0.35 2.04 -0.06 -0.58 117.51 119.89 1iio h ILE 9 Ca -0.02 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1iio h ILE 9 Cb 0.46 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1iio h ILE 9 CO 0.03 0.36 0.01 -0.09 0.00 0.00 0.00 178.15 178.47 1iio h ARG 10 N 0.69 0.00 -0.43 2.37 9.65 -1.44 0.67 114.38 125.90 1iio h ARG 10 Ca 0.14 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1iio h ARG 10 Cb 0.49 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1iio h ARG 10 CO 0.02 0.00 0.13 0.78 2.80 0.00 0.00 179.97 183.70 1iio h GLY 11 N 0.00 0.71 2.00 2.80 0.00 0.13 0.22 103.07 108.93 1iio h GLY 11 Ca 0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1iio h GLY 11 CO -0.00 0.39 -0.16 1.46 0.00 0.00 0.00 176.54 178.24 1iio h GLN 12 N 0.55 0.00 0.01 4.80 4.20 -0.51 -2.75 115.11 121.40 1iio h GLN 12 Ca 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1iio h GLN 12 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1iio h GLN 12 CO -0.00 0.16 -0.00 0.82 -0.67 0.00 0.00 178.83 179.13 1iio h ILE 13 N 0.00 1.55 -0.37 2.54 2.04 0.04 -1.64 117.51 121.68 1iio h ILE 13 Ca -0.00 -1.71 0.07 0.00 1.00 0.00 0.00 64.86 64.21 1iio h ILE 13 Cb 0.33 2.71 -0.06 0.00 -0.74 0.00 0.00 36.82 39.05 1iio h ILE 13 CO 0.02 0.44 -0.02 0.40 0.00 0.00 0.00 178.15 178.99 1iio h ILE 14 N -0.75 0.70 -0.55 -0.67 1.08 -0.48 0.33 117.51 117.18 1iio h ILE 14 Ca -0.00 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1iio h ILE 14 Cb 0.73 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1iio h ILE 14 CO 0.00 0.01 0.18 1.23 -0.69 0.00 0.00 178.15 178.89 1iio h GLY 15 N 0.08 0.87 2.00 5.37 0.00 -1.59 -1.16 103.07 108.63 1iio h GLY 15 Ca 0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1iio h GLY 15 CO -0.32 0.44 -0.15 0.00 0.00 0.00 0.00 176.54 176.51 1iio h ALA 16 N 1.41 1.56 0.00 3.60 0.00 0.10 -1.90 119.26 124.02 1iio h ALA 16 Ca 0.18 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1iio h ALA 16 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1iio h ALA 16 CO -0.01 0.18 -0.89 -0.07 0.00 0.00 0.00 179.25 178.46 1iio h LEU 17 N 0.00 0.00 -9.61 0.00 3.38 0.76 -3.00 115.31 106.85 1iio h LEU 17 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 1iio h LEU 17 Cb 0.29 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.13 1iio h LEU 17 CO 0.02 0.89 0.53 0.00 0.09 0.00 0.00 178.44 179.97 1iio n ALA 18 N -2.35 0.96 0.00 1.53 0.00 -0.72 -2.39 120.51 117.55 1iio n ALA 18 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1iio n ALA 18 Cb 0.87 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1iio n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iio n GLY 19 N 1.72 2.43 2.83 0.00 0.00 -1.26 -4.69 105.19 106.22 1iio n GLY 19 Ca 0.10 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 1iio n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iio n ALA 20 N 0.00 -2.73 -1.00 4.61 0.00 -1.01 -4.93 120.51 115.46 1iio n ALA 20 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1iio n ALA 20 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1iio n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iio n ASP 21 N -1.79 0.00 -3.09 0.00 8.00 -1.26 -4.86 116.55 113.55 1iio n ASP 21 Ca 0.07 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.42 1iio n ASP 21 Cb 0.31 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.55 1iio n ASP 21 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1iio n PHE 22 N 0.00 -3.06 -0.51 1.24 -1.74 -1.26 -4.62 117.46 107.50 1iio n PHE 22 Ca 0.00 -0.44 -0.18 0.00 -0.56 0.00 0.00 57.45 56.27 1iio n PHE 22 Cb 0.00 -0.62 -0.02 0.00 1.52 0.00 0.00 39.48 40.36 1iio n PHE 22 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1iio n PRO 23 N -3.75 1.17 0.00 3.97 -0.04 -1.26 -3.79 135.00 131.29 1iio n PRO 23 Ca 0.07 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1iio n PRO 23 Cb 0.30 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1iio n PRO 23 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1iio n ILE 24 N 4.86 0.00 -0.50 0.52 2.08 -1.26 -1.62 119.36 123.43 1iio n ILE 24 Ca 0.30 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.34 1iio n ILE 24 Cb 0.13 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.97 1iio n ILE 24 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1iio n ASN 25 N 0.00 1.63 -1.58 4.38 4.13 -1.25 -4.10 115.26 118.47 1iio n ASN 25 Ca 0.00 -2.35 0.03 0.00 1.68 0.00 0.00 54.58 53.95 1iio n ASN 25 Cb 0.00 -0.72 -0.02 0.00 -1.54 0.00 0.00 39.78 37.51 1iio n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1iio n SER 26 N 6.63 -8.40 -0.36 6.41 3.41 -0.98 -2.07 113.62 118.26 1iio n SER 26 Ca 0.32 1.82 0.37 0.00 -0.26 0.00 0.00 58.87 61.12 1iio n SER 26 Cb 0.23 -5.15 0.75 0.00 -0.26 0.00 0.00 64.21 59.79 1iio n SER 26 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1iio h PRO 27 N -0.13 0.00 0.30 4.33 0.11 -1.90 -0.35 132.00 134.37 1iio h PRO 27 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1iio h PRO 27 Cb 1.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1iio h PRO 27 CO 0.01 0.00 -0.38 0.93 -0.21 0.00 0.00 178.00 178.35 1iio h GLU 28 N 0.00 -0.71 0.24 1.05 5.08 -1.97 0.11 114.58 118.38 1iio h GLU 28 Ca 0.60 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 59.00 1iio h GLU 28 Cb 2.47 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.88 1iio h GLU 28 CO -0.01 -0.47 -0.12 1.49 -1.00 0.00 0.00 179.01 178.91 1iio h GLU 29 N -0.73 -0.32 -0.99 2.33 4.57 -0.51 -2.02 114.58 116.91 1iio h GLU 29 Ca -0.01 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.40 1iio h GLU 29 Cb 0.69 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.25 1iio h GLU 29 CO -0.12 -0.02 0.62 1.37 -1.18 0.00 0.00 179.01 179.68 1iio h LEU 30 N -1.00 0.64 -1.14 1.64 8.10 -1.40 2.33 115.31 124.47 1iio h LEU 30 Ca -0.03 0.08 -0.08 0.00 0.11 0.00 0.00 57.88 57.96 1iio h LEU 30 Cb 0.44 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1iio h LEU 30 CO 0.05 0.21 -0.31 0.24 -4.11 0.00 0.00 178.44 174.53 1iio h MET 31 N 0.61 0.21 0.00 0.17 2.86 -0.83 -1.89 114.93 116.06 1iio h MET 31 Ca 0.56 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 58.03 1iio h MET 31 Cb 1.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1iio h MET 31 CO -0.32 0.50 -0.43 0.00 1.06 0.00 0.00 176.91 177.71 1iio h ALA 32 N 1.50 1.25 -0.25 6.32 0.00 0.45 -3.05 119.26 125.49 1iio h ALA 32 Ca 0.03 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 1iio h ALA 32 Cb 0.64 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iio h ALA 32 CO 0.05 0.54 -0.57 0.00 0.00 0.00 0.00 179.25 179.27 1iio h ALA 33 N 1.57 0.52 -1.26 0.00 0.00 0.19 -3.41 119.26 116.86 1iio h ALA 33 Ca -0.00 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 1iio h ALA 33 Cb 0.78 -0.07 0.13 0.00 0.00 0.00 0.00 17.79 18.63 1iio h ALA 33 CO 0.06 0.69 -0.70 1.28 0.00 0.00 0.00 179.25 180.57 1iio n LEU 34 N -3.98 -1.98 -0.34 0.00 4.32 -1.00 -4.73 117.00 109.29 1iio n LEU 34 Ca -0.04 0.87 0.18 0.00 -0.02 0.00 0.00 56.01 57.01 1iio n LEU 34 Cb 0.63 -0.84 0.39 0.00 -1.62 0.00 0.00 43.42 41.99 1iio n LEU 34 CO 0.50 -3.37 1.14 1.55 -1.22 0.00 0.00 177.39 175.99 1iio h PRO 35 N 0.57 0.49 0.00 3.23 0.13 -1.90 0.20 132.00 134.72 1iio h PRO 35 Ca -0.30 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1iio h PRO 35 Cb 1.33 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1iio h PRO 35 CO 0.47 0.33 0.00 -2.95 -0.23 0.00 0.00 178.00 175.62 1iio h ASN 36 N 0.51 0.00 0.00 1.44 -0.00 -1.93 -3.48 115.58 112.11 1iio h ASN 36 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.95 1iio h ASN 36 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 1iio h ASN 36 CO -0.51 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.53 1iio n GLY 37 N 0.23 2.21 0.08 9.14 0.00 0.70 -4.79 105.19 112.76 1iio n GLY 37 Ca 0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1iio n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iio h PRO 38 N 0.00 -0.06 0.00 1.61 0.13 -1.82 -3.31 132.00 128.55 1iio h PRO 38 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iio h PRO 38 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1iio h PRO 38 CO 0.00 0.49 0.00 -0.40 -0.23 0.00 0.00 178.00 177.86 1iio n ASP 39 N -4.75 0.00 -4.74 1.44 5.75 -1.19 -3.49 116.55 109.57 1iio n ASP 39 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.30 1iio n ASP 39 Cb 0.28 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1iio s THR 40 N 0.00 3.37 -0.10 2.12 -1.32 -1.26 -4.95 115.64 113.50 1iio s THR 40 Ca 0.00 1.16 -0.27 0.00 -1.21 0.00 0.00 61.69 61.37 1iio s THR 40 Cb 0.00 -3.74 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 1iio s THR 40 CO 0.00 0.19 0.90 -0.89 -2.21 0.00 0.00 174.62 172.61 1iio s THR 41 N -0.08 4.87 -0.55 5.08 2.01 -1.26 -4.85 115.64 120.85 1iio s THR 41 Ca 0.54 1.83 -0.03 0.00 0.31 0.00 0.00 61.69 64.34 1iio s THR 41 Cb -0.35 -4.22 0.19 0.00 0.01 0.00 0.00 72.50 68.13 1iio s THR 41 CO 0.38 0.08 2.42 0.00 -0.69 0.00 0.00 174.62 176.81 1iio s LYS 43 N -2.49 4.21 -0.04 0.00 -2.85 -1.26 -4.24 119.74 113.07 1iio s LYS 43 Ca 0.54 1.53 -0.00 0.00 -1.00 0.00 0.00 55.97 57.04 1iio s LYS 43 Cb 0.39 -2.60 0.03 0.00 -2.06 0.00 0.00 37.83 33.59 1iio s LYS 43 CO -0.22 -0.10 0.00 -1.12 0.10 0.00 0.00 175.35 174.01 1iio s SER 44 N -1.51 0.73 0.00 0.03 0.01 0.03 -4.93 113.70 108.06 1iio s SER 44 Ca 0.57 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1iio s SER 44 Cb -0.23 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1iio s SER 44 CO 0.29 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1iio n GLY 45 N 4.39 0.66 0.54 3.44 0.00 -1.26 -2.64 105.19 110.32 1iio n GLY 45 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1iio n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iio n ASP 46 N 1.65 0.00 -4.73 1.61 8.00 -1.26 -5.12 116.55 116.70 1iio n ASP 46 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1iio n ASP 46 Cb 0.00 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1iio s VAL 47 N -1.27 2.87 -0.08 2.53 1.01 -1.08 -5.02 120.40 119.36 1iio s VAL 47 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1iio s VAL 47 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1iio s VAL 47 CO 0.00 0.09 -0.17 -1.61 0.00 0.00 0.00 175.10 173.41 1iio s GLU 48 N 0.17 2.82 -0.01 2.72 2.02 -1.26 -0.79 118.70 124.36 1iio s GLU 48 Ca 0.61 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1iio s GLU 48 Cb -0.40 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.44 1iio s GLU 48 CO 0.38 0.41 -0.01 -0.51 0.02 0.00 0.00 175.26 175.55 1iio s LEU 49 N -0.18 1.76 -0.25 1.80 2.01 -1.26 -4.92 118.68 117.64 1iio s LEU 49 Ca -0.01 -0.02 -0.35 0.00 0.01 0.00 0.00 54.13 53.75 1iio s LEU 49 Cb -0.13 -0.11 0.16 0.00 0.01 0.00 0.00 46.19 46.11 1iio s LEU 49 CO 0.03 -0.02 1.31 -1.59 1.01 0.00 0.00 176.35 177.10 1iio s LYS 50 N 0.26 0.14 0.37 1.70 -2.85 -1.26 -1.25 119.74 116.85 1iio s LYS 50 Ca -0.02 -0.04 0.16 0.00 -1.00 0.00 0.00 55.97 55.07 1iio s LYS 50 Cb -0.04 0.07 1.06 0.00 -2.06 0.00 0.00 37.83 36.86 1iio s LYS 50 CO -0.01 -0.06 1.74 0.00 0.10 0.00 0.00 175.35 177.12 1iio h ALA 51 N 2.02 2.11 0.18 0.59 0.00 -1.93 0.21 119.26 122.44 1iio h ALA 51 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1iio h ALA 51 Cb 1.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1iio h ALA 51 CO 0.21 -0.58 -0.09 1.03 0.00 0.00 0.00 179.25 179.82 1iio h SER 52 N 0.42 -0.21 0.16 0.00 0.87 -1.93 0.90 113.55 113.76 1iio h SER 52 Ca 0.64 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.13 1iio h SER 52 Cb 1.53 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1iio h SER 52 CO -0.39 -0.07 -0.08 0.44 -0.53 0.00 0.00 176.83 176.20 1iio h ASP 53 N -0.33 -0.19 0.06 6.23 3.32 -1.59 -3.35 116.42 120.58 1iio h ASP 53 Ca -0.03 -0.35 -0.33 0.00 0.02 0.00 0.00 57.03 56.35 1iio h ASP 53 Cb 0.26 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1iio h ASP 53 CO 0.04 0.36 -1.80 0.00 -1.72 0.00 0.00 179.24 176.12 1iio n ALA 54 N -2.55 0.91 -0.35 3.45 0.00 0.59 -4.23 120.51 118.32 1iio n ALA 54 Ca -0.08 -0.62 0.37 0.00 0.00 0.00 0.00 53.44 53.11 1iio n ALA 54 Cb 0.27 -0.54 0.71 0.00 0.00 0.00 0.00 19.45 19.88 1iio n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iio h GLY 55 N 0.24 0.00 -1.05 0.00 0.00 0.89 0.11 103.07 103.24 1iio h GLY 55 Ca -0.43 0.00 0.44 0.00 0.00 0.00 0.00 47.33 47.34 1iio h GLY 55 CO -0.07 0.00 1.05 0.06 0.00 0.00 0.00 176.54 177.57 1iio h GLN 56 N 0.00 0.04 -1.08 4.80 3.07 -1.54 0.35 115.11 120.75 1iio h GLN 56 Ca 0.61 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.34 1iio h GLN 56 Cb 2.67 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 30.23 1iio h GLN 56 CO -0.01 0.03 0.00 1.33 0.09 0.00 0.00 178.83 180.27 1iio n VAL 57 N -4.21 0.66 -3.61 1.86 0.24 0.37 -4.47 118.33 109.17 1iio n VAL 57 Ca 0.34 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.35 1iio n VAL 57 Cb 1.53 -0.81 -0.13 0.00 -1.47 0.00 0.00 33.84 32.96 1iio n VAL 57 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1iio s LEU 58 N 0.00 1.87 0.81 1.34 1.43 0.12 -5.05 118.68 119.20 1iio s LEU 58 Ca 0.00 -2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 50.72 1iio s LEU 58 Cb 0.00 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.52 1iio s LEU 58 CO 0.00 -0.32 0.84 0.35 0.23 0.00 0.00 176.35 177.45 1iio n THR 59 N 4.03 1.60 -0.35 5.49 -2.24 -1.26 -4.76 114.28 116.78 1iio n THR 59 Ca 0.07 -0.27 0.26 0.00 -2.27 0.00 0.00 64.05 61.84 1iio n THR 59 Cb 0.37 -0.94 0.53 0.00 -2.10 0.00 0.00 70.33 68.19 1iio n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iio h ALA 60 N -0.85 2.31 -0.92 6.98 0.00 -1.99 0.58 119.26 125.37 1iio h ALA 60 Ca -0.46 0.08 0.26 0.00 0.00 0.00 0.00 54.91 54.80 1iio h ALA 60 Cb 1.31 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1iio h ALA 60 CO 0.43 -0.78 0.66 0.22 0.00 0.00 0.00 179.25 179.77 1iio h ASP 61 N 0.33 0.02 0.00 0.00 3.58 -2.04 0.86 116.42 119.17 1iio h ASP 61 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.11 1iio h ASP 61 Cb 1.75 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.80 1iio h ASP 61 CO -0.35 0.01 0.00 0.47 -2.88 0.00 0.00 179.24 176.49 1iio n ASP 62 N -4.27 0.00 -0.34 2.28 8.00 0.20 -4.19 116.55 118.23 1iio n ASP 62 Ca 0.19 -0.88 0.02 0.00 0.71 0.00 0.00 54.79 54.84 1iio n ASP 62 Cb 0.98 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 42.16 1iio n ASP 62 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1iio n PHE 63 N -0.81 0.17 -2.71 1.24 7.35 0.30 -2.47 117.46 120.53 1iio n PHE 63 Ca 0.09 1.10 -0.43 0.00 -0.76 0.00 0.00 57.45 57.45 1iio n PHE 63 Cb 0.04 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 38.94 1iio n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1iio n PRO 64 N -5.40 3.32 -2.61 -7.13 -0.04 -1.26 -2.33 135.00 119.56 1iio n PRO 64 Ca 0.12 -3.59 -0.38 0.00 -0.04 0.00 0.00 63.50 59.61 1iio n PRO 64 Cb 0.41 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.64 1iio n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1iio s PHE 65 N 2.28 3.53 -0.57 0.54 0.08 -1.03 -4.90 117.98 117.91 1iio s PHE 65 Ca 0.46 1.72 -0.25 0.00 0.12 0.00 0.00 56.93 58.98 1iio s PHE 65 Cb 0.01 -3.10 -0.22 0.00 -0.57 0.00 0.00 43.02 39.14 1iio s PHE 65 CO 0.02 -0.28 1.83 1.63 -0.10 0.00 0.00 175.22 178.32 1iio n LYS 66 N 0.59 1.03 -1.45 0.44 4.76 -1.26 -4.75 118.16 117.52 1iio n LYS 66 Ca 0.02 -1.62 0.15 0.00 -2.87 0.00 0.00 58.31 53.98 1iio n LYS 66 Cb 0.48 -2.85 -0.08 0.00 -1.84 0.00 0.00 35.03 30.74 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1iio n SER 67 N 8.50 -7.65 -0.05 4.39 7.64 -1.23 -2.56 113.62 122.67 1iio n SER 67 Ca 0.48 1.47 0.24 0.00 1.01 0.00 0.00 58.87 62.08 1iio n SER 67 Cb 0.41 -4.92 0.72 0.00 -1.01 0.00 0.00 64.21 59.41 1iio n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iio h ALA 68 N -1.24 2.51 -0.28 -0.43 0.00 -1.60 -1.18 119.26 117.04 1iio h ALA 68 Ca -0.17 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 68 Cb 1.29 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1iio h ALA 68 CO 0.07 -0.89 0.17 1.05 0.00 0.00 0.00 179.25 179.64 1iio h GLU 69 N 0.00 0.34 -0.18 0.00 4.11 -1.89 -0.39 114.58 116.58 1iio h GLU 69 Ca 0.31 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.54 1iio h GLU 69 Cb 1.41 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1iio h GLU 69 CO -0.00 0.22 -0.62 1.05 0.07 0.00 0.00 179.01 179.73 1iio h GLU 70 N 0.35 0.63 -0.64 1.06 4.11 -0.94 -2.84 114.58 116.30 1iio h GLU 70 Ca 0.11 -0.44 0.01 0.00 0.07 0.00 0.00 59.36 59.11 1iio h GLU 70 Cb -0.01 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1iio h GLU 70 CO -0.04 1.06 0.43 0.28 0.07 0.00 0.00 179.01 180.80 1iio h VAL 71 N 0.47 1.15 0.48 -1.06 2.07 -1.24 0.34 116.25 118.46 1iio h VAL 71 Ca -0.01 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1iio h VAL 71 Cb 1.20 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1iio h VAL 71 CO 0.12 0.16 -0.23 0.00 0.02 0.00 0.00 177.57 177.63 1iio h ALA 72 N 1.60 -0.65 -0.59 1.67 0.00 -0.95 -2.71 119.26 117.64 1iio h ALA 72 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1iio h ALA 72 Cb -0.07 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1iio h ALA 72 CO -0.06 -0.67 0.20 -0.44 0.00 0.00 0.00 179.25 178.29 1iio h ASP 73 N -1.04 0.85 -0.11 0.00 5.19 -1.39 -2.80 116.42 117.12 1iio h ASP 73 Ca -0.07 -0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1iio h ASP 73 Cb 0.58 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.82 1iio h ASP 73 CO 0.11 0.82 -0.19 0.74 -3.12 0.00 0.00 179.24 177.60 1iio h THR 74 N 0.83 0.52 0.05 0.35 2.02 -0.41 0.36 112.91 116.62 1iio h THR 74 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 1iio h THR 74 Cb 0.27 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1iio h THR 74 CO -0.01 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.26 1iio h ILE 75 N -0.25 0.96 -0.99 3.11 2.04 -1.44 -2.68 117.51 118.25 1iio h ILE 75 Ca 0.09 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1iio h ILE 75 Cb 0.39 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1iio h ILE 75 CO -0.26 0.00 0.65 -0.37 0.00 0.00 0.00 178.15 178.17 1iio h VAL 76 N -0.06 1.15 0.05 1.67 -1.51 -1.28 0.85 116.25 117.12 1iio h VAL 76 Ca -0.01 -0.42 0.03 0.00 -1.23 0.00 0.00 66.70 65.07 1iio h VAL 76 Cb 0.05 -0.18 -0.05 0.00 -2.13 0.00 0.00 31.29 28.98 1iio h VAL 76 CO 0.01 0.22 -0.35 0.78 -1.23 0.00 0.00 177.57 177.00 1iio h ASN 77 N 1.23 -1.05 0.02 4.19 -0.26 -0.60 0.50 115.58 119.61 1iio h ASN 77 Ca 0.40 0.13 -0.25 0.00 -0.56 0.00 0.00 56.30 56.02 1iio h ASN 77 Cb 0.04 0.41 0.01 0.00 -1.06 0.00 0.00 38.32 37.72 1iio h ASN 77 CO -0.13 -0.42 -0.94 0.11 -1.06 0.00 0.00 177.43 174.99 1iio h LYS 78 N -0.54 0.68 -1.65 0.81 1.57 -1.23 -3.30 116.57 112.91 1iio h LYS 78 Ca 0.05 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1iio h LYS 78 Cb 0.60 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1iio h LYS 78 CO -0.25 1.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.89 1iio n ALA 79 N -2.61 2.08 0.00 3.86 0.00 0.29 -4.76 120.51 119.37 1iio n ALA 79 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1iio n ALA 79 Cb 0.83 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1iio n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iio n GLY 80 N 0.98 2.10 0.00 0.00 0.00 -1.17 -4.88 105.19 102.22 1iio n GLY 80 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36