#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 -0.07 -0.20 1.61 0.15 -1.26 -5.08 113.70 108.85 1iio s SER -2 Ca 0.00 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.80 1iio s SER -2 Cb 0.00 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.83 1iio s SER -2 CO 0.00 -0.02 0.88 0.00 1.20 0.00 0.00 173.24 175.30 1iio n HIS -1 N 2.16 -0.37 -1.56 3.44 -0.00 -1.26 -5.13 115.22 112.50 1iio n HIS -1 Ca -0.13 -0.53 0.00 0.00 -0.00 0.00 0.00 57.72 57.07 1iio n HIS -1 Cb 0.57 0.97 0.00 0.00 -0.00 0.00 0.00 29.99 31.53 1iio n HIS -1 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1iio n MET 1 N -0.40 -4.41 -2.33 -1.40 0.00 -1.26 -4.86 117.12 102.46 1iio n MET 1 Ca -0.16 3.23 -0.41 0.00 0.00 0.00 0.00 57.70 60.36 1iio n MET 1 Cb 0.61 -3.60 -0.03 0.00 0.00 0.00 0.00 33.22 30.20 1iio n MET 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1iio s LYS 2 N -3.14 4.49 0.13 0.03 2.47 -1.26 -4.97 119.74 117.48 1iio s LYS 2 Ca 0.00 1.94 -0.31 0.00 -1.56 0.00 0.00 55.97 56.04 1iio s LYS 2 Cb 0.00 -3.20 -0.08 0.00 -1.46 0.00 0.00 37.83 33.09 1iio s LYS 2 CO 0.00 -0.07 1.40 -1.64 0.16 0.00 0.00 175.35 175.21 1iio s MET 3 N -0.70 4.31 0.40 4.03 -1.94 -1.26 -4.91 119.30 119.23 1iio s MET 3 Ca 0.51 2.11 0.18 0.00 -1.71 0.00 0.00 55.69 56.78 1iio s MET 3 Cb -0.34 -3.23 0.82 0.00 2.01 0.00 0.00 34.83 34.09 1iio s MET 3 CO 0.40 -0.44 1.82 0.78 -0.01 0.00 0.00 175.02 177.57 1iio h GLY 4 N 6.65 0.00 1.71 -0.03 0.00 -2.02 -2.96 103.07 106.43 1iio h GLY 4 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1iio h GLY 4 CO 0.86 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.95 1iio n VAL 5 N -3.76 1.35 -0.31 4.60 3.14 -1.26 -3.02 118.33 119.07 1iio n VAL 5 Ca -0.01 0.34 0.16 0.00 -2.96 0.00 0.00 64.34 61.87 1iio n VAL 5 Cb 0.43 -1.31 0.34 0.00 -1.06 0.00 0.00 33.84 32.24 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 0.23 0.08 1.45 3.64 -1.92 1.03 116.57 121.08 1iio h LYS 6 Ca 0.00 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1iio h LYS 6 Cb 0.02 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1iio h LYS 6 CO 0.00 0.15 -1.14 1.05 -2.27 0.00 0.00 179.45 177.24 1iio h GLU 7 N 0.24 0.46 0.16 1.90 -0.00 -1.84 -2.66 114.58 112.83 1iio h GLU 7 Ca 0.61 -0.60 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 1iio h GLU 7 Cb 1.28 0.20 0.00 0.00 -0.00 0.00 0.00 28.75 30.23 1iio h GLU 7 CO -0.65 1.24 -0.08 -0.44 -0.00 0.00 0.00 179.01 179.09 1iio h ASP 8 N 0.21 -0.18 -0.32 3.06 3.32 0.58 0.20 116.42 123.29 1iio h ASP 8 Ca -0.14 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1iio h ASP 8 Cb 1.81 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 1iio h ASP 8 CO 0.20 -0.01 0.10 0.40 -1.72 0.00 0.00 179.24 178.22 1iio h ILE 9 N -0.34 1.20 -0.37 0.35 2.04 0.16 -0.91 117.51 119.63 1iio h ILE 9 Ca -0.02 -0.65 0.11 0.00 1.00 0.00 0.00 64.86 65.30 1iio h ILE 9 Cb 0.27 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1iio h ILE 9 CO 0.04 0.22 0.27 -0.09 0.00 0.00 0.00 178.15 178.59 1iio h ARG 10 N 0.37 0.00 -0.65 2.37 2.43 -1.37 0.44 114.38 117.96 1iio h ARG 10 Ca 0.10 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1iio h ARG 10 Cb 0.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1iio h ARG 10 CO -0.00 0.00 0.17 0.78 -1.51 0.00 0.00 179.97 179.41 1iio h GLY 11 N 0.00 1.11 1.99 2.80 0.00 0.80 0.14 103.07 109.91 1iio h GLY 11 Ca 0.18 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1iio h GLY 11 CO -0.00 0.63 -0.44 1.46 0.00 0.00 0.00 176.54 178.19 1iio h GLN 12 N 0.95 0.01 -0.13 4.80 4.20 0.29 -2.63 115.11 122.59 1iio h GLN 12 Ca 0.21 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 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 0.45 -0.24 0.82 -0.67 0.00 0.00 178.83 179.20 1iio h ILE 13 N 0.01 1.37 0.15 2.54 2.04 0.15 0.16 117.51 123.92 1iio h ILE 13 Ca -0.00 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1iio h ILE 13 Cb 0.79 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1iio h ILE 13 CO 0.06 0.44 -0.14 0.40 0.00 0.00 0.00 178.15 178.90 1iio h ILE 14 N -0.01 0.68 -0.54 -0.67 1.08 -0.66 0.22 117.51 117.61 1iio h ILE 14 Ca 0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.42 1iio h ILE 14 Cb 0.82 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1iio h ILE 14 CO 0.05 0.00 0.09 1.23 -0.69 0.00 0.00 178.15 178.83 1iio h GLY 15 N -0.32 0.93 1.90 5.37 0.00 -1.53 -1.53 103.07 107.90 1iio h GLY 15 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1iio h GLY 15 CO -0.04 0.54 0.03 0.00 0.00 0.00 0.00 176.54 177.07 1iio h ALA 16 N 1.27 1.88 0.00 3.60 0.00 -0.07 -1.38 119.26 124.56 1iio h ALA 16 Ca 0.17 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1iio h ALA 16 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1iio h ALA 16 CO 0.01 0.10 -1.00 -0.07 0.00 0.00 0.00 179.25 178.29 1iio h LEU 17 N 0.13 0.00 -9.71 0.00 3.38 0.20 -3.06 115.31 106.25 1iio h LEU 17 Ca 0.03 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.44 1iio h LEU 17 Cb 0.04 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.89 1iio h LEU 17 CO -0.00 0.93 0.58 0.00 0.09 0.00 0.00 178.44 180.04 1iio n ALA 18 N -2.35 1.40 0.00 1.53 0.00 -0.52 -2.62 120.51 117.95 1iio n ALA 18 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1iio n ALA 18 Cb 0.92 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.27 2.35 2.32 0.00 0.00 -1.26 -4.69 105.19 105.18 1iio n GLY 19 Ca 0.07 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.35 -1.00 4.61 0.00 -1.08 -4.94 120.51 115.75 1iio n ALA 20 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1iio n ALA 20 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.99 0.00 -3.03 0.00 9.92 -1.26 -4.86 116.55 115.33 1iio n ASP 21 Ca 0.06 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.28 1iio n ASP 21 Cb 0.27 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.79 1iio n ASP 21 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1iio n PHE 22 N 0.00 -2.24 -0.78 1.24 1.16 -1.26 -4.59 117.46 110.99 1iio n PHE 22 Ca 0.00 -0.12 -0.26 0.00 -1.87 0.00 0.00 57.45 55.20 1iio n PHE 22 Cb 0.00 -0.19 -0.03 0.00 -1.61 0.00 0.00 39.48 37.65 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 -2.54 1.74 0.00 3.97 -0.04 -1.26 -3.96 135.00 132.92 1iio n PRO 23 Ca 0.02 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 1iio n PRO 23 Cb 0.09 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 4.76 0.00 -0.51 0.52 2.08 -1.26 -2.39 119.36 122.56 1iio n ILE 24 Ca 0.42 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.46 1iio n ILE 24 Cb 0.19 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 1.58 -1.55 4.38 5.03 -1.25 -3.99 115.26 119.45 1iio n ASN 25 Ca 0.00 -2.35 0.08 0.00 0.87 0.00 0.00 54.58 53.18 1iio n ASN 25 Cb 0.00 -0.71 -0.05 0.00 -1.02 0.00 0.00 39.78 38.01 1iio n ASN 25 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1iio n SER 26 N 6.75 -8.39 -0.28 6.41 3.41 -0.61 -2.03 113.62 118.87 1iio n SER 26 Ca 0.33 1.74 0.27 0.00 -0.26 0.00 0.00 58.87 60.94 1iio n SER 26 Cb 0.24 -5.18 0.61 0.00 -0.26 0.00 0.00 64.21 59.63 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 -0.57 0.21 0.05 4.33 0.11 -1.89 -0.80 132.00 133.44 1iio h PRO 27 Ca -0.09 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.03 1iio h PRO 27 Cb 1.19 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1iio h PRO 27 CO 0.04 0.14 -0.29 0.93 -0.21 0.00 0.00 178.00 178.60 1iio h GLU 28 N 0.22 -0.45 0.19 1.05 5.08 -1.98 0.19 114.58 118.88 1iio h GLU 28 Ca 0.54 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.92 1iio h GLU 28 Cb 1.69 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1iio h GLU 28 CO -0.15 -0.30 -0.09 1.49 -1.00 0.00 0.00 179.01 178.96 1iio h GLU 29 N -0.47 -0.25 -0.91 2.33 4.57 -0.59 -2.04 114.58 117.23 1iio h GLU 29 Ca 0.05 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.43 1iio h GLU 29 Cb 0.53 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.07 1iio h GLU 29 CO -0.22 0.01 0.47 1.37 -1.18 0.00 0.00 179.01 179.46 1iio h LEU 30 N -1.02 0.53 -1.38 1.64 8.10 -1.27 1.82 115.31 123.74 1iio h LEU 30 Ca -0.03 0.12 -0.05 0.00 0.11 0.00 0.00 57.88 58.03 1iio h LEU 30 Cb 0.37 0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1iio h LEU 30 CO 0.04 0.15 -0.12 -0.03 -4.11 0.00 0.00 178.44 174.37 1iio h MET 31 N 0.57 0.27 0.00 0.17 4.05 -0.70 -0.95 114.93 118.34 1iio h MET 31 Ca 0.53 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.80 1iio h MET 31 Cb 0.89 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1iio h MET 31 CO -0.43 0.40 -0.45 0.00 0.23 0.00 0.00 176.91 176.66 1iio h ALA 32 N 1.63 1.13 -0.18 0.39 0.00 0.34 -3.08 119.26 119.48 1iio h ALA 32 Ca 0.05 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1iio h ALA 32 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1iio h ALA 32 CO 0.02 0.56 -0.53 0.00 0.00 0.00 0.00 179.25 179.30 1iio h ALA 33 N 1.55 0.73 -0.46 0.00 0.00 0.90 -3.44 119.26 118.54 1iio h ALA 33 Ca -0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 1iio h ALA 33 Cb 0.86 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.61 1iio h ALA 33 CO 0.06 0.68 -0.23 1.28 0.00 0.00 0.00 179.25 181.05 1iio n LEU 34 N -3.96 -0.54 -0.27 0.00 4.32 -0.99 -4.72 117.00 110.83 1iio n LEU 34 Ca -0.03 0.52 0.08 0.00 -0.02 0.00 0.00 56.01 56.57 1iio n LEU 34 Cb 0.59 -0.44 0.22 0.00 -1.62 0.00 0.00 43.42 42.17 1iio n LEU 34 CO 0.47 -1.35 0.94 1.55 -1.22 0.00 0.00 177.39 177.77 1iio h PRO 35 N 0.53 0.25 0.00 3.23 0.13 -1.89 -1.64 132.00 132.61 1iio h PRO 35 Ca -0.14 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.91 1iio h PRO 35 Cb 0.67 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1iio h PRO 35 CO 0.27 0.16 -0.33 -2.95 -0.23 0.00 0.00 178.00 174.92 1iio h ASN 36 N 0.25 0.00 0.00 1.44 -0.00 -1.96 -3.48 115.58 111.83 1iio h ASN 36 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.76 1iio h ASN 36 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.16 1iio h ASN 36 CO -0.56 0.33 0.00 0.61 -0.00 0.00 0.00 177.43 177.80 1iio n GLY 37 N 0.23 2.27 1.90 9.14 0.00 -0.62 -4.86 105.19 113.26 1iio n GLY 37 Ca -0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 1.74 -2.39 1.61 -0.04 -1.26 -4.69 135.00 129.96 1iio n PRO 38 Ca 0.00 -0.88 -0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1iio n PRO 38 Cb 0.00 -1.70 -0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1iio n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iio n ASP 39 N 1.92 -6.23 -4.73 3.54 8.00 -1.26 -4.96 116.55 112.84 1iio n ASP 39 Ca 0.30 1.06 -0.41 0.00 0.71 0.00 0.00 54.79 56.46 1iio n ASP 39 Cb 0.74 -4.21 -0.04 0.00 -0.02 0.00 0.00 41.12 37.59 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1iio s THR 40 N -1.18 4.05 -0.19 -3.53 -1.32 -1.26 -5.02 115.64 107.18 1iio s THR 40 Ca -0.01 1.69 -0.17 0.00 -1.21 0.00 0.00 61.69 61.98 1iio s THR 40 Cb 0.00 -4.08 -0.04 0.00 -1.51 0.00 0.00 72.50 66.88 1iio s THR 40 CO 0.58 0.25 0.47 -0.89 -2.21 0.00 0.00 174.62 172.82 1iio s THR 41 N 0.07 5.15 -0.47 5.08 2.01 -1.26 -4.80 115.64 121.42 1iio s THR 41 Ca 0.51 0.86 -0.02 0.00 0.31 0.00 0.00 61.69 63.35 1iio s THR 41 Cb -0.28 -3.80 0.28 0.00 0.01 0.00 0.00 72.50 68.72 1iio s THR 41 CO 0.33 0.22 2.10 0.00 -0.69 0.00 0.00 174.62 176.57 1iio s LYS 43 N -2.55 4.45 -0.27 0.00 -2.85 -1.26 -4.43 119.74 112.83 1iio s LYS 43 Ca 0.45 1.67 -0.08 0.00 -1.00 0.00 0.00 55.97 57.01 1iio s LYS 43 Cb 0.35 -3.41 -0.02 0.00 -2.06 0.00 0.00 37.83 32.69 1iio s LYS 43 CO -0.04 -0.24 0.09 -1.12 0.10 0.00 0.00 175.35 174.13 1iio s SER 44 N 1.12 5.19 1.92 0.03 0.01 -0.61 -4.94 113.70 116.42 1iio s SER 44 Ca 0.56 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1iio s SER 44 Cb -0.26 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1iio s SER 44 CO 0.28 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1iio n GLY 45 N 4.92 3.36 0.18 3.44 0.00 -1.26 -2.26 105.19 113.57 1iio n GLY 45 Ca -0.15 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1iio n GLY 45 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1iio h ASP 46 N 0.02 0.63 -3.95 1.61 2.03 -2.04 -3.45 116.42 111.26 1iio h ASP 46 Ca 0.00 -0.45 -0.52 0.00 -0.73 0.00 0.00 57.03 55.33 1iio h ASP 46 Cb 0.00 -0.19 0.08 0.00 -0.83 0.00 0.00 39.33 38.39 1iio h ASP 46 CO 0.00 1.23 0.58 -0.69 -1.03 0.00 0.00 179.24 179.33 1iio s VAL 47 N -3.48 2.74 -0.03 4.15 1.01 -0.96 -5.04 120.40 118.79 1iio s VAL 47 Ca -0.07 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 1iio s VAL 47 Cb 0.09 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1iio s VAL 47 CO 0.87 0.08 0.01 -1.61 0.00 0.00 0.00 175.10 174.45 1iio s GLU 48 N -2.31 0.26 -0.04 2.72 2.02 -1.26 -1.58 118.70 118.52 1iio s GLU 48 Ca 0.58 0.13 -0.02 0.00 0.02 0.00 0.00 54.97 55.67 1iio s GLU 48 Cb -0.36 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.37 1iio s GLU 48 CO 0.46 -0.18 0.09 -0.51 0.02 0.00 0.00 175.26 175.14 1iio s LEU 49 N 1.26 1.28 0.00 1.80 2.01 -1.26 -4.87 118.68 118.91 1iio s LEU 49 Ca -0.06 0.18 -0.05 0.00 0.01 0.00 0.00 54.13 54.20 1iio s LEU 49 Cb -0.13 0.23 0.02 0.00 0.01 0.00 0.00 46.19 46.31 1iio s LEU 49 CO -0.02 -0.08 0.22 2.29 1.01 0.00 0.00 176.35 179.77 1iio n LYS 50 N 3.61 0.09 -0.01 1.70 2.85 -1.26 -2.93 118.16 122.22 1iio n LYS 50 Ca -0.20 -0.24 -0.13 0.00 -1.05 0.00 0.00 58.31 56.69 1iio n LYS 50 Cb 0.55 0.34 -0.10 0.00 -0.65 0.00 0.00 35.03 35.18 1iio n LYS 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iio h ALA 51 N 2.00 -0.01 -0.08 0.58 0.00 -1.93 0.25 119.26 120.07 1iio h ALA 51 Ca -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1iio h ALA 51 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1iio h ALA 51 CO 0.07 -0.27 -0.00 1.03 0.00 0.00 0.00 179.25 180.07 1iio h SER 52 N -0.48 0.15 0.20 0.00 0.87 -1.93 0.59 113.55 112.95 1iio h SER 52 Ca -0.00 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1iio h SER 52 Cb 0.47 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1iio h SER 52 CO 0.00 0.44 -0.10 0.44 -0.53 0.00 0.00 176.83 177.08 1iio h ASP 53 N -0.14 -0.23 0.02 6.23 5.19 -1.96 -3.31 116.42 122.22 1iio h ASP 53 Ca 0.02 -0.29 -0.35 0.00 -0.62 0.00 0.00 57.03 55.79 1iio h ASP 53 Cb 0.36 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.88 1iio h ASP 53 CO 0.01 0.24 -1.98 0.00 -3.12 0.00 0.00 179.24 174.39 1iio n ALA 54 N -2.51 1.03 -0.09 3.45 0.00 0.49 -4.30 120.51 118.57 1iio n ALA 54 Ca -0.08 -0.79 0.26 0.00 0.00 0.00 0.00 53.44 52.83 1iio n ALA 54 Cb 0.26 -0.29 0.64 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.21 0.00 -1.25 0.00 0.00 0.32 -0.97 103.07 100.96 1iio h GLY 55 Ca -0.51 0.00 0.47 0.00 0.00 0.00 0.00 47.33 47.29 1iio h GLY 55 CO -0.21 0.00 1.17 0.06 0.00 0.00 0.00 176.54 177.55 1iio h GLN 56 N 0.00 0.00 -1.18 4.80 3.07 -1.38 0.12 115.11 120.55 1iio h GLN 56 Ca 0.37 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 1iio h GLN 56 Cb 1.99 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.55 1iio h GLN 56 CO -0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.83 180.25 1iio n VAL 57 N -4.06 0.57 -3.81 1.86 0.24 -0.37 -4.63 118.33 108.13 1iio n VAL 57 Ca 0.36 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.40 1iio n VAL 57 Cb 1.67 -0.76 -0.17 0.00 -1.47 0.00 0.00 33.84 33.12 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 1.09 0.67 1.34 1.43 0.03 -5.08 118.68 118.16 1iio s LEU 58 Ca 0.00 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1iio s LEU 58 Cb 0.00 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.56 1iio s LEU 58 CO 0.00 -0.21 1.10 0.42 0.23 0.00 0.00 176.35 177.89 1iio s THR 59 N 1.82 3.40 0.33 5.49 -4.23 -1.26 -4.88 115.64 116.30 1iio s THR 59 Ca 0.02 0.61 0.11 0.00 -1.18 0.00 0.00 61.69 61.26 1iio s THR 59 Cb -0.14 -3.14 0.33 0.00 1.34 0.00 0.00 72.50 70.88 1iio s THR 59 CO -0.07 -0.44 1.73 0.00 -0.54 0.00 0.00 174.62 175.30 1iio h ALA 60 N -0.10 1.88 -0.70 3.99 0.00 -2.00 0.50 119.26 122.83 1iio h ALA 60 Ca -0.46 0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.77 1iio h ALA 60 Cb 1.24 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1iio h ALA 60 CO 0.54 -0.35 0.61 0.22 0.00 0.00 0.00 179.25 180.27 1iio h ASP 61 N 0.53 0.00 0.00 0.00 3.58 -2.04 0.52 116.42 119.02 1iio h ASP 61 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.10 1iio h ASP 61 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1iio h ASP 61 CO -0.46 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.37 1iio n ASP 62 N -3.92 0.00 -0.33 2.28 9.92 0.18 -4.22 116.55 120.46 1iio n ASP 62 Ca 0.14 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.64 1iio n ASP 62 Cb 0.87 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.40 1iio n ASP 62 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1iio n PHE 63 N -0.84 0.07 -2.59 1.24 3.01 0.18 -2.64 117.46 115.89 1iio n PHE 63 Ca 0.10 1.06 -0.43 0.00 1.01 0.00 0.00 57.45 59.18 1iio n PHE 63 Cb 0.04 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.66 1iio n PHE 63 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1iio n PRO 64 N -5.29 3.24 -2.63 -1.08 -0.05 -1.26 -1.57 135.00 126.35 1iio n PRO 64 Ca 0.10 -3.39 -0.38 0.00 -0.05 0.00 0.00 63.50 59.78 1iio n PRO 64 Cb 0.36 -3.32 -0.05 0.00 -0.05 0.00 0.00 33.50 30.44 1iio n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1iio s PHE 65 N 3.15 3.56 -0.65 0.54 0.40 -1.08 -4.91 117.98 118.99 1iio s PHE 65 Ca 0.49 1.73 -0.18 0.00 -0.60 0.00 0.00 56.93 58.38 1iio s PHE 65 Cb 0.03 -3.07 -0.15 0.00 0.51 0.00 0.00 43.02 40.34 1iio s PHE 65 CO 0.04 -0.20 1.86 1.63 0.70 0.00 0.00 175.22 179.24 1iio n LYS 66 N 0.58 1.34 -1.45 0.44 4.01 -1.26 -4.78 118.16 117.03 1iio n LYS 66 Ca 0.02 -1.56 0.18 0.00 -0.51 0.00 0.00 58.31 56.43 1iio n LYS 66 Cb 0.48 -2.70 -0.09 0.00 -0.51 0.00 0.00 35.03 32.21 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1iio n SER 67 N 6.79 -7.94 -0.18 4.39 7.64 -1.18 -2.51 113.62 120.62 1iio n SER 67 Ca 0.45 1.44 0.26 0.00 1.01 0.00 0.00 58.87 62.02 1iio n SER 67 Cb 0.32 -4.97 0.67 0.00 -1.01 0.00 0.00 64.21 59.22 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 -1.43 2.68 -0.40 -0.43 0.00 -1.78 -0.81 119.26 117.10 1iio h ALA 68 Ca -0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1iio h ALA 68 Cb 1.39 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1iio h ALA 68 CO 0.08 -0.93 0.18 1.05 0.00 0.00 0.00 179.25 179.62 1iio h GLU 69 N 0.09 0.36 -0.22 0.00 4.11 -1.90 0.94 114.58 117.96 1iio h GLU 69 Ca 0.43 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.70 1iio h GLU 69 Cb 1.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1iio h GLU 69 CO -0.05 0.24 -0.43 1.05 0.07 0.00 0.00 179.01 179.89 1iio h GLU 70 N 0.37 0.53 -0.37 1.06 4.11 -0.84 -2.84 114.58 116.60 1iio h GLU 70 Ca 0.17 -0.28 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 1iio h GLU 70 Cb 0.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1iio h GLU 70 CO -0.14 0.87 0.19 0.28 0.07 0.00 0.00 179.01 180.28 1iio h VAL 71 N 0.44 1.15 -0.19 -1.06 2.07 -1.15 0.29 116.25 117.80 1iio h VAL 71 Ca 0.03 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1iio h VAL 71 Cb 0.93 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1iio h VAL 71 CO 0.08 0.16 -0.04 0.00 0.02 0.00 0.00 177.57 177.79 1iio h ALA 72 N 1.05 0.13 -0.39 1.67 0.00 -0.74 0.16 119.26 121.14 1iio h ALA 72 Ca 0.13 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1iio h ALA 72 Cb 0.08 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1iio h ALA 72 CO -0.02 -0.47 -0.28 -0.44 0.00 0.00 0.00 179.25 178.04 1iio h ASP 73 N 0.01 0.86 0.11 0.00 5.19 -1.34 -2.74 116.42 118.50 1iio h ASP 73 Ca 0.09 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1iio h ASP 73 Cb 0.14 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1iio h ASP 73 CO -0.19 1.08 -0.05 0.74 -3.12 0.00 0.00 179.24 177.69 1iio h THR 74 N 0.71 1.00 0.18 0.35 2.02 0.05 -1.07 112.91 116.14 1iio h THR 74 Ca 0.08 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1iio h THR 74 Cb 0.82 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1iio h THR 74 CO 0.07 0.10 -0.11 0.40 0.37 0.00 0.00 175.52 176.35 1iio h ILE 75 N -0.34 0.76 -1.00 3.11 2.04 -0.74 -1.72 117.51 119.61 1iio h ILE 75 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1iio h ILE 75 Cb 0.28 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1iio h ILE 75 CO 0.03 0.00 0.66 -0.37 0.00 0.00 0.00 178.15 178.47 1iio h VAL 76 N -0.29 1.23 0.55 1.67 -1.51 -1.52 0.44 116.25 116.82 1iio h VAL 76 Ca -0.01 -0.45 -0.03 0.00 -1.23 0.00 0.00 66.70 64.97 1iio h VAL 76 Cb 0.24 -0.21 0.01 0.00 -2.13 0.00 0.00 31.29 29.19 1iio h VAL 76 CO 0.01 0.24 -0.26 0.78 -1.23 0.00 0.00 177.57 177.11 1iio h ASN 77 N 1.32 -0.62 -0.39 4.19 -0.26 -0.94 0.72 115.58 119.60 1iio h ASN 77 Ca 0.38 -0.02 -0.15 0.00 -0.56 0.00 0.00 56.30 55.94 1iio h ASN 77 Cb -0.10 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1iio h ASN 77 CO -0.10 -0.36 -0.35 0.11 -1.06 0.00 0.00 177.43 175.67 1iio h LYS 78 N -0.85 0.94 0.00 0.81 1.57 -1.23 -3.13 116.57 114.68 1iio h LYS 78 Ca -0.08 -0.48 -0.07 0.00 -1.87 0.00 0.00 60.65 58.16 1iio h LYS 78 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1iio h LYS 78 CO 0.12 1.13 -0.35 0.00 -0.57 0.00 0.00 179.45 179.79 1iio h ALA 79 N 0.81 1.41 0.00 3.86 0.00 -0.14 -3.47 119.26 121.72 1iio h ALA 79 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1iio h ALA 79 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1iio h ALA 79 CO 0.09 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1iio n GLY 80 N -0.51 1.36 0.00 0.00 0.00 -0.23 -5.05 105.19 100.76 1iio n GLY 80 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.00 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36