#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio s SER -2 N 0.00 -0.06 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.56 1iio s SER -2 Ca 0.00 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.38 1iio s SER -2 Cb 0.00 0.29 0.17 0.00 0.10 0.00 0.00 66.02 66.58 1iio s SER -2 CO 0.00 -0.02 1.09 -1.38 0.98 0.00 0.00 173.24 173.91 1iio s HIS -1 N 0.23 -0.39 0.50 5.02 0.00 -1.26 -5.16 115.29 114.23 1iio s HIS -1 Ca 0.04 0.75 -0.20 0.00 -3.00 0.00 0.00 55.06 52.66 1iio s HIS -1 Cb -0.04 0.23 -0.08 0.00 -4.00 0.00 0.00 32.58 28.69 1iio s HIS -1 CO -0.15 -0.19 1.04 1.41 -1.00 0.00 0.00 174.74 175.85 1iio s MET 1 N 1.45 3.73 0.61 -0.38 -2.45 -1.26 -4.90 119.30 116.11 1iio s MET 1 Ca -0.07 1.34 0.28 0.00 -1.25 0.00 0.00 55.69 55.99 1iio s MET 1 Cb -0.03 -2.08 1.42 0.00 1.25 0.00 0.00 34.83 35.38 1iio s MET 1 CO -0.14 -0.49 1.82 -0.22 1.05 0.00 0.00 175.02 177.05 1iio h LYS 2 N 1.41 0.00 -5.26 4.11 3.64 -2.03 -3.43 116.57 115.00 1iio h LYS 2 Ca -0.49 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.21 1iio h LYS 2 Cb 1.22 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 33.09 1iio h LYS 2 CO 0.59 0.00 -0.00 -0.12 -2.27 0.00 0.00 179.45 177.64 1iio n MET 3 N -3.41 0.00 0.00 1.90 1.56 -1.26 -4.80 117.12 111.12 1iio n MET 3 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1iio n MET 3 Cb 0.66 -1.27 0.00 0.00 2.15 0.00 0.00 33.22 34.77 1iio n MET 3 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1iio n GLY 4 N 1.36 0.61 0.00 -5.12 0.00 -1.26 -4.96 105.19 95.83 1iio n GLY 4 Ca 0.17 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.55 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 0.44 -0.24 1.61 3.14 -1.26 -3.60 118.33 118.42 1iio n VAL 5 Ca 0.00 0.11 -0.01 0.00 -2.96 0.00 0.00 64.34 61.48 1iio n VAL 5 Cb 0.00 -0.79 0.06 0.00 -1.06 0.00 0.00 33.84 32.05 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 -1.92 0.74 116.57 120.43 1iio h LYS 6 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1iio h LYS 6 Cb 0.19 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1iio h LYS 6 CO 0.00 -0.03 -0.77 1.49 -2.27 0.00 0.00 179.45 177.88 1iio h GLU 7 N -0.04 0.00 0.19 1.90 4.22 -1.97 -2.55 114.58 116.33 1iio h GLU 7 Ca 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 1iio h GLU 7 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1iio h GLU 7 CO -0.72 0.77 -0.09 0.22 -2.18 0.00 0.00 179.01 177.00 1iio h ASP 8 N 0.00 -0.22 -0.52 1.04 1.82 -0.15 0.41 116.42 118.80 1iio h ASP 8 Ca -0.01 -0.20 -0.07 0.00 -0.39 0.00 0.00 57.03 56.36 1iio h ASP 8 Cb 1.48 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.53 1iio h ASP 8 CO 0.10 0.09 0.07 0.40 -1.61 0.00 0.00 179.24 178.29 1iio h ILE 9 N -0.55 1.25 0.00 2.25 2.04 0.06 -0.20 117.51 122.37 1iio h ILE 9 Ca -0.03 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1iio h ILE 9 Cb 0.41 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1iio h ILE 9 CO 0.04 0.35 -0.01 -0.09 0.00 0.00 0.00 178.15 178.44 1iio h ARG 10 N 0.75 0.00 -0.37 2.37 9.65 -1.39 0.47 114.38 125.86 1iio h ARG 10 Ca 0.16 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1iio h ARG 10 Cb 0.43 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1iio h ARG 10 CO 0.01 0.01 0.07 0.78 2.80 0.00 0.00 179.97 183.64 1iio h GLY 11 N 0.04 0.64 2.00 2.80 0.00 0.17 0.20 103.07 108.92 1iio h GLY 11 Ca -0.00 -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 -0.13 1.46 0.00 0.00 0.00 176.54 178.26 1iio h GLN 12 N 0.45 0.00 -0.01 4.80 4.20 -0.54 -2.58 115.11 121.42 1iio h GLN 12 Ca 0.11 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1iio h GLN 12 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1iio h GLN 12 CO 0.00 0.13 -0.26 0.82 -0.67 0.00 0.00 178.83 178.86 1iio h ILE 13 N 0.00 1.51 0.00 2.54 2.04 -0.13 -0.98 117.51 122.50 1iio h ILE 13 Ca -0.00 -1.87 0.02 0.00 1.00 0.00 0.00 64.86 64.01 1iio h ILE 13 Cb 0.27 2.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 1iio h ILE 13 CO 0.02 0.52 -0.15 0.40 0.00 0.00 0.00 178.15 178.94 1iio h ILE 14 N -0.43 0.64 -0.57 -0.67 1.08 -0.38 0.25 117.51 117.43 1iio h ILE 14 Ca -0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1iio h ILE 14 Cb 0.98 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1iio h ILE 14 CO 0.05 0.00 0.18 1.23 -0.69 0.00 0.00 178.15 178.92 1iio h GLY 15 N -0.25 0.91 2.00 5.37 0.00 -1.58 -1.27 103.07 108.26 1iio h GLY 15 Ca 0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1iio h GLY 15 CO -0.14 0.47 -0.08 0.00 0.00 0.00 0.00 176.54 176.79 1iio h ALA 16 N 1.37 1.60 0.00 3.60 0.00 -0.15 -1.31 119.26 124.37 1iio h ALA 16 Ca 0.19 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1iio h ALA 16 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1iio h ALA 16 CO -0.01 0.10 -0.99 -0.07 0.00 0.00 0.00 179.25 178.29 1iio h LEU 17 N 0.00 0.00 -9.58 0.00 3.38 0.61 -3.07 115.31 106.65 1iio h LEU 17 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1iio h LEU 17 Cb 0.18 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.00 1iio h LEU 17 CO 0.01 0.95 0.69 0.00 0.09 0.00 0.00 178.44 180.19 1iio n ALA 18 N -2.35 1.33 0.00 1.53 0.00 -0.50 -2.51 120.51 118.02 1iio n ALA 18 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1iio n ALA 18 Cb 0.93 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 2.53 1.93 2.69 0.00 0.00 -1.26 -4.74 105.19 106.34 1iio n GLY 19 Ca 0.13 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.71 -1.00 4.61 0.00 -1.04 -4.93 120.51 115.43 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 -2.02 0.00 -3.26 0.00 8.00 -1.26 -4.84 116.55 113.17 1iio n ASP 21 Ca 0.07 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.27 1iio n ASP 21 Cb 0.31 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.70 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 -3.72 -0.55 1.24 1.16 -1.26 -4.61 117.46 109.72 1iio n PHE 22 Ca 0.00 -0.78 -0.24 0.00 -1.87 0.00 0.00 57.45 54.56 1iio n PHE 22 Cb 0.00 -1.35 -0.04 0.00 -1.61 0.00 0.00 39.48 36.48 1iio n PHE 22 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1iio n PRO 23 N -5.66 0.92 0.00 3.97 -0.04 -1.26 -3.56 135.00 129.36 1iio n PRO 23 Ca 0.13 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1iio n PRO 23 Cb 0.59 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 5.36 0.00 -0.45 0.52 2.08 -1.26 -2.30 119.36 123.31 1iio n ILE 24 Ca 0.32 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.35 1iio n ILE 24 Cb 0.20 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.03 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 1.25 -1.47 4.38 4.13 -1.23 -4.07 115.26 118.24 1iio n ASN 25 Ca 0.00 -2.35 0.07 0.00 1.68 0.00 0.00 54.58 53.98 1iio n ASN 25 Cb 0.00 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 37.56 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 7.05 -7.45 -0.30 6.41 3.41 -0.95 -1.97 113.62 119.83 1iio n SER 26 Ca 0.32 1.55 0.29 0.00 -0.26 0.00 0.00 58.87 60.77 1iio n SER 26 Cb 0.26 -4.77 0.65 0.00 -0.26 0.00 0.00 64.21 60.09 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 -0.54 0.15 0.14 4.33 0.11 -1.91 -0.21 132.00 134.06 1iio h PRO 27 Ca -0.08 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.04 1iio h PRO 27 Cb 1.05 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1iio h PRO 27 CO 0.03 0.10 -0.41 0.93 -0.21 0.00 0.00 178.00 178.44 1iio h GLU 28 N 0.15 -0.64 0.15 1.05 5.08 -1.98 0.14 114.58 118.54 1iio h GLU 28 Ca 0.55 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.95 1iio h GLU 28 Cb 1.89 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1iio h GLU 28 CO -0.12 -0.42 -0.07 1.49 -1.00 0.00 0.00 179.01 178.89 1iio h GLU 29 N -0.66 -0.19 -0.85 2.33 4.57 -0.55 -1.91 114.58 117.32 1iio h GLU 29 Ca 0.02 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.39 1iio h GLU 29 Cb 0.68 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.20 1iio h GLU 29 CO -0.22 0.07 0.38 1.37 -1.18 0.00 0.00 179.01 179.43 1iio h LEU 30 N -1.01 0.38 -1.28 1.64 8.10 -1.15 1.83 115.31 123.82 1iio h LEU 30 Ca -0.02 0.12 -0.07 0.00 0.11 0.00 0.00 57.88 58.02 1iio h LEU 30 Cb 0.35 0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 1iio h LEU 30 CO 0.03 0.10 -0.25 -0.03 -4.11 0.00 0.00 178.44 174.18 1iio h MET 31 N 0.48 0.17 -0.06 0.17 4.05 -0.82 -1.57 114.93 117.36 1iio h MET 31 Ca 0.49 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.78 1iio h MET 31 Cb 0.82 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1iio h MET 31 CO -0.45 0.42 -0.33 0.00 0.23 0.00 0.00 176.91 176.78 1iio h ALA 32 N 1.59 1.33 -0.35 0.39 0.00 0.35 -2.97 119.26 119.60 1iio h ALA 32 Ca 0.03 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1iio h ALA 32 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1iio h ALA 32 CO 0.04 0.47 -0.39 0.00 0.00 0.00 0.00 179.25 179.37 1iio h ALA 33 N 1.56 0.63 -0.50 0.00 0.00 0.57 -3.44 119.26 118.08 1iio h ALA 33 Ca 0.01 -0.45 -0.35 0.00 0.00 0.00 0.00 54.91 54.12 1iio h ALA 33 Cb 0.64 -0.12 0.05 0.00 0.00 0.00 0.00 17.79 18.36 1iio h ALA 33 CO 0.05 0.67 -0.19 1.28 0.00 0.00 0.00 179.25 181.06 1iio n LEU 34 N -4.05 -0.46 -0.20 0.00 4.32 -1.05 -4.76 117.00 110.80 1iio n LEU 34 Ca -0.02 0.57 -0.01 0.00 -0.02 0.00 0.00 56.01 56.53 1iio n LEU 34 Cb 0.54 -0.47 0.06 0.00 -1.62 0.00 0.00 43.42 41.93 1iio n LEU 34 CO 0.48 -1.35 0.75 -0.65 -1.22 0.00 0.00 177.39 175.40 1iio h PRO 35 N 0.77 0.01 0.00 3.23 0.11 -1.90 -2.17 132.00 132.04 1iio h PRO 35 Ca -0.17 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.86 1iio h PRO 35 Cb 0.72 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1iio h PRO 35 CO 0.30 0.01 -0.35 -2.95 -0.21 0.00 0.00 178.00 174.79 1iio h ASN 36 N 0.01 0.00 0.00 -2.05 -0.00 -1.96 -3.48 115.58 108.10 1iio h ASN 36 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.59 1iio h ASN 36 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1iio h ASN 36 CO -0.61 0.35 0.00 0.61 -0.00 0.00 0.00 177.43 177.78 1iio n GLY 37 N 0.25 2.30 2.16 9.14 0.00 -0.82 -4.86 105.19 113.36 1iio n GLY 37 Ca -0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1iio n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iio n PRO 38 N 0.00 2.53 -2.86 1.61 -0.04 -1.26 -4.69 135.00 130.30 1iio n PRO 38 Ca 0.00 -1.56 -0.01 0.00 -0.04 0.00 0.00 63.50 61.89 1iio n PRO 38 Cb 0.00 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.24 1iio n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1iio n ASP 39 N 2.45 -6.01 -4.70 3.54 5.68 -1.26 -4.88 116.55 111.37 1iio n ASP 39 Ca 0.52 1.11 -0.42 0.00 -0.50 0.00 0.00 54.79 55.50 1iio n ASP 39 Cb 0.69 -3.93 -0.03 0.00 -1.14 0.00 0.00 41.12 36.72 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1iio s THR 40 N -1.07 3.48 -0.13 2.12 -1.32 -1.26 -4.98 115.64 112.47 1iio s THR 40 Ca -0.06 0.98 -0.25 0.00 -1.21 0.00 0.00 61.69 61.15 1iio s THR 40 Cb 0.00 -3.63 -0.02 0.00 -1.51 0.00 0.00 72.50 67.34 1iio s THR 40 CO 0.50 0.04 0.80 -0.89 -2.21 0.00 0.00 174.62 172.86 1iio s THR 41 N 1.80 4.93 -0.47 5.08 2.01 -1.26 -4.85 115.64 122.88 1iio s THR 41 Ca 0.65 1.61 -0.03 0.00 0.31 0.00 0.00 61.69 64.23 1iio s THR 41 Cb -0.35 -4.12 0.17 0.00 0.01 0.00 0.00 72.50 68.22 1iio s THR 41 CO 0.29 0.10 2.40 0.00 -0.69 0.00 0.00 174.62 176.72 1iio s LYS 43 N -2.18 4.24 -0.04 0.00 -2.85 -1.26 -4.29 119.74 113.36 1iio s LYS 43 Ca 0.51 1.53 -0.00 0.00 -1.00 0.00 0.00 55.97 57.00 1iio s LYS 43 Cb 0.36 -2.62 0.03 0.00 -2.06 0.00 0.00 37.83 33.53 1iio s LYS 43 CO -0.16 -0.08 0.01 -1.12 0.10 0.00 0.00 175.35 174.10 1iio s SER 44 N -1.50 0.65 0.00 0.03 0.01 0.02 -4.90 113.70 108.01 1iio s SER 44 Ca 0.56 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1iio s SER 44 Cb -0.23 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.76 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 4.37 0.77 0.08 3.44 0.00 -1.26 -2.67 105.19 109.92 1iio n GLY 45 Ca -0.22 -0.00 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 1.34 0.00 0.00 0.00 173.32 174.66 1iio n ASP 46 N 1.62 0.00 -4.74 1.61 2.03 -1.26 -5.13 116.55 110.68 1iio n ASP 46 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1iio n ASP 46 Cb 0.00 0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1iio s VAL 47 N -1.08 2.84 -0.07 5.18 1.01 -1.09 -5.02 120.40 122.18 1iio s VAL 47 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1iio s VAL 47 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1iio s VAL 47 CO 0.00 0.11 -0.21 -1.61 0.00 0.00 0.00 175.10 173.39 1iio s GLU 48 N -0.26 2.65 -0.04 2.72 2.02 -1.26 -0.80 118.70 123.74 1iio s GLU 48 Ca 0.59 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 1iio s GLU 48 Cb -0.40 -2.27 0.03 0.00 0.10 0.00 0.00 34.13 31.59 1iio s GLU 48 CO 0.41 0.41 0.08 -0.51 0.02 0.00 0.00 175.26 175.67 1iio s LEU 49 N -0.21 0.84 -0.06 1.80 2.01 -1.26 -4.92 118.68 116.87 1iio s LEU 49 Ca -0.01 0.15 -0.30 0.00 0.01 0.00 0.00 54.13 53.97 1iio s LEU 49 Cb -0.13 0.09 0.11 0.00 0.01 0.00 0.00 46.19 46.27 1iio s LEU 49 CO 0.03 -0.15 0.95 -1.59 1.01 0.00 0.00 176.35 176.60 1iio s LYS 50 N 1.23 0.71 0.38 1.70 -2.85 -1.26 -2.01 119.74 117.63 1iio s LYS 50 Ca -0.08 -0.18 0.17 0.00 -1.00 0.00 0.00 55.97 54.88 1iio s LYS 50 Cb -0.12 0.33 1.08 0.00 -2.06 0.00 0.00 37.83 37.05 1iio s LYS 50 CO -0.04 -0.29 1.73 0.00 0.10 0.00 0.00 175.35 176.85 1iio h ALA 51 N 2.12 2.14 0.21 0.59 0.00 -1.94 0.21 119.26 122.60 1iio h ALA 51 Ca -0.20 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1iio h ALA 51 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1iio h ALA 51 CO 0.30 -0.61 -0.10 1.03 0.00 0.00 0.00 179.25 179.87 1iio h SER 52 N 0.41 -0.23 0.03 0.00 0.87 -1.94 0.83 113.55 113.51 1iio h SER 52 Ca 0.64 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1iio h SER 52 Cb 1.56 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1iio h SER 52 CO -0.38 -0.00 -0.01 0.44 -0.53 0.00 0.00 176.83 176.34 1iio h ASP 53 N -0.47 -0.03 0.03 6.23 3.32 -1.67 -3.33 116.42 120.50 1iio h ASP 53 Ca -0.03 -0.57 -0.31 0.00 0.02 0.00 0.00 57.03 56.15 1iio h ASP 53 Cb 0.35 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1iio h ASP 53 CO 0.05 0.57 -1.68 0.00 -1.72 0.00 0.00 179.24 176.45 1iio n ALA 54 N -2.43 0.90 -0.45 3.45 0.00 0.64 -4.28 120.51 118.34 1iio n ALA 54 Ca -0.09 -0.63 0.41 0.00 0.00 0.00 0.00 53.44 53.14 1iio n ALA 54 Cb 0.30 -0.47 0.76 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.36 0.00 -0.85 0.00 0.00 0.73 0.13 103.07 102.72 1iio h GLY 55 Ca -0.43 0.00 0.41 0.00 0.00 0.00 0.00 47.33 47.31 1iio h GLY 55 CO -0.17 0.00 1.00 0.06 0.00 0.00 0.00 176.54 177.43 1iio h GLN 56 N 0.00 0.03 -1.15 4.80 3.07 -1.55 0.89 115.11 121.21 1iio h GLN 56 Ca 0.69 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.43 1iio h GLN 56 Cb 2.85 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 30.40 1iio h GLN 56 CO -0.01 0.02 0.00 1.33 0.09 0.00 0.00 178.83 180.27 1iio n VAL 57 N -4.18 0.61 -3.82 1.86 0.24 0.45 -4.63 118.33 108.84 1iio n VAL 57 Ca 0.32 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.35 1iio n VAL 57 Cb 1.45 -0.78 -0.17 0.00 -1.47 0.00 0.00 33.84 32.87 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 1.13 0.64 1.34 1.43 0.31 -5.08 118.68 118.45 1iio s LEU 58 Ca 0.00 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 1iio s LEU 58 Cb 0.00 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 1iio s LEU 58 CO 0.00 -0.20 1.07 0.42 0.23 0.00 0.00 176.35 177.87 1iio s THR 59 N 1.80 3.70 0.38 5.49 -4.23 -1.26 -4.89 115.64 116.64 1iio s THR 59 Ca 0.02 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 61.45 1iio s THR 59 Cb -0.14 -3.30 0.38 0.00 1.34 0.00 0.00 72.50 70.78 1iio s THR 59 CO -0.07 -0.55 1.74 0.00 -0.54 0.00 0.00 174.62 175.20 1iio h ALA 60 N 0.04 2.19 -0.83 3.99 0.00 -2.00 0.77 119.26 123.41 1iio h ALA 60 Ca -0.46 0.09 0.24 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 60 Cb 1.22 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1iio h ALA 60 CO 0.56 -0.66 0.63 -0.44 0.00 0.00 0.00 179.25 179.35 1iio h ASP 61 N 0.38 0.00 0.00 0.00 3.32 -2.03 0.94 116.42 119.03 1iio h ASP 61 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 1iio h ASP 61 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1iio h ASP 61 CO -0.37 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.62 1iio n ASP 62 N -4.15 0.00 -0.35 6.45 9.92 0.27 -4.16 116.55 124.52 1iio n ASP 62 Ca 0.17 -0.82 0.03 0.00 -0.53 0.00 0.00 54.79 53.64 1iio n ASP 62 Cb 0.93 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.50 1iio n ASP 62 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1iio n PHE 63 N -0.82 0.20 -2.80 1.24 7.35 0.32 -2.63 117.46 120.33 1iio n PHE 63 Ca 0.09 1.16 -0.44 0.00 -0.76 0.00 0.00 57.45 57.51 1iio n PHE 63 Cb 0.04 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 38.91 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 -5.48 3.35 -2.61 -7.13 -0.04 -1.26 -2.23 135.00 119.59 1iio n PRO 64 Ca 0.13 -3.69 -0.40 0.00 -0.04 0.00 0.00 63.50 59.50 1iio n PRO 64 Cb 0.43 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.72 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 1.99 3.74 -0.47 0.54 0.08 -1.08 -4.90 117.98 117.88 1iio s PHE 65 Ca 0.45 1.80 -0.25 0.00 0.12 0.00 0.00 56.93 59.04 1iio s PHE 65 Cb -0.00 -3.12 -0.24 0.00 -0.57 0.00 0.00 43.02 39.08 1iio s PHE 65 CO 0.02 -0.08 1.80 1.17 -0.10 0.00 0.00 175.22 178.03 1iio n LYS 66 N 1.21 0.93 -1.39 0.44 3.00 -1.26 -4.76 118.16 116.32 1iio n LYS 66 Ca -0.01 -1.52 0.16 0.00 -0.00 0.00 0.00 58.31 56.95 1iio n LYS 66 Cb 0.46 -2.75 -0.09 0.00 0.00 0.00 0.00 35.03 32.65 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1iio n SER 67 N 8.04 -7.43 -0.15 3.14 7.64 -1.20 -2.55 113.62 121.11 1iio n SER 67 Ca 0.49 1.30 0.27 0.00 1.01 0.00 0.00 58.87 61.93 1iio n SER 67 Cb 0.41 -4.73 0.71 0.00 -1.01 0.00 0.00 64.21 59.59 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 -1.42 2.77 -0.34 -0.43 0.00 -1.76 -1.43 119.26 116.66 1iio h ALA 68 Ca -0.17 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1iio h ALA 68 Cb 1.30 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1iio h ALA 68 CO 0.07 -1.01 0.13 1.05 0.00 0.00 0.00 179.25 179.49 1iio h GLU 69 N 0.01 0.28 -0.15 0.00 4.11 -1.90 0.57 114.58 117.49 1iio h GLU 69 Ca 0.39 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.61 1iio h GLU 69 Cb 1.57 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1iio h GLU 69 CO -0.01 0.18 -0.70 1.05 0.07 0.00 0.00 179.01 179.60 1iio h GLU 70 N 0.28 0.65 -0.46 1.06 4.11 -0.98 -2.84 114.58 116.41 1iio h GLU 70 Ca 0.15 -0.50 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1iio h GLU 70 Cb 0.11 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1iio h GLU 70 CO -0.14 1.12 0.30 0.28 0.07 0.00 0.00 179.01 180.64 1iio h VAL 71 N 0.46 1.12 0.35 -1.06 2.07 -1.22 0.31 116.25 118.28 1iio h VAL 71 Ca -0.03 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1iio h VAL 71 Cb 1.30 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1iio h VAL 71 CO 0.14 0.12 -0.17 0.00 0.02 0.00 0.00 177.57 177.68 1iio h ALA 72 N 1.71 -0.47 -0.31 1.67 0.00 -0.78 -2.45 119.26 118.64 1iio h ALA 72 Ca 0.17 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1iio h ALA 72 Cb -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1iio h ALA 72 CO -0.04 -0.54 -0.15 -0.44 0.00 0.00 0.00 179.25 178.08 1iio h ASP 73 N -0.90 0.54 -0.00 0.00 5.19 -1.35 -2.77 116.42 117.13 1iio h ASP 73 Ca -0.05 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1iio h ASP 73 Cb 0.53 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 1iio h ASP 73 CO 0.08 0.72 0.00 0.74 -3.12 0.00 0.00 179.24 177.66 1iio h THR 74 N 0.50 1.10 0.08 0.35 2.02 -0.43 -2.51 112.91 114.03 1iio h THR 74 Ca 0.09 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1iio h THR 74 Cb 0.56 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1iio h THR 74 CO 0.04 0.08 -0.04 0.40 0.37 0.00 0.00 175.52 176.37 1iio h ILE 75 N -0.13 1.05 -0.97 3.11 2.04 -1.41 -2.74 117.51 118.46 1iio h ILE 75 Ca 0.00 -0.46 0.17 0.00 1.00 0.00 0.00 64.86 65.58 1iio h ILE 75 Cb 0.13 1.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 1iio h ILE 75 CO -0.00 0.11 0.61 -0.37 0.00 0.00 0.00 178.15 178.50 1iio h VAL 76 N -0.32 0.76 0.52 1.67 -1.51 -1.53 0.92 116.25 116.77 1iio h VAL 76 Ca -0.01 -0.25 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1iio h VAL 76 Cb 0.27 -0.03 0.01 0.00 -2.13 0.00 0.00 31.29 29.41 1iio h VAL 76 CO 0.02 0.13 -0.25 0.78 -1.23 0.00 0.00 177.57 177.02 1iio h ASN 77 N 0.72 -0.59 -0.14 4.19 -0.26 -1.26 0.32 115.58 118.56 1iio h ASN 77 Ca 0.52 0.01 -0.19 0.00 -0.56 0.00 0.00 56.30 56.08 1iio h ASN 77 Cb 0.86 0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.28 1iio h ASN 77 CO -0.29 -0.40 -0.61 0.11 -1.06 0.00 0.00 177.43 175.17 1iio h LYS 78 N -0.73 0.75 -0.01 0.81 1.57 -1.08 -3.21 116.57 114.67 1iio h LYS 78 Ca -0.07 -0.51 -0.07 0.00 -1.87 0.00 0.00 60.65 58.12 1iio h LYS 78 Cb 0.55 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1iio h LYS 78 CO 0.12 1.14 -0.34 0.00 -0.57 0.00 0.00 179.45 179.79 1iio h ALA 79 N 0.75 1.43 0.00 3.86 0.00 0.87 -3.47 119.26 122.69 1iio h ALA 79 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1iio h ALA 79 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1iio h ALA 79 CO 0.13 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1iio n GLY 80 N -0.55 1.43 0.00 0.00 0.00 -0.15 -5.04 105.19 100.88 1iio n GLY 80 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36