#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 3.84 -3.65 1.61 2.88 -1.26 -5.01 113.62 112.04 1iio n SER -2 Ca 0.00 1.19 -0.09 0.00 -1.33 0.00 0.00 58.87 58.64 1iio n SER -2 Cb 0.00 -1.61 -0.07 0.00 -0.75 0.00 0.00 64.21 61.78 1iio n SER -2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1iio s HIS -1 N -0.58 -0.95 0.05 0.66 4.02 -1.26 -5.06 115.29 112.17 1iio s HIS -1 Ca 0.58 1.99 -0.22 0.00 1.02 0.00 0.00 55.06 58.43 1iio s HIS -1 Cb -0.48 0.52 -0.14 0.00 -1.02 0.00 0.00 32.58 31.46 1iio s HIS -1 CO 0.56 -0.47 1.48 0.52 1.02 0.00 0.00 174.74 177.85 1iio h MET 1 N 6.57 0.20 -3.92 1.40 2.86 -2.04 -3.49 114.93 116.50 1iio h MET 1 Ca -0.30 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1iio h MET 1 Cb 1.21 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1iio h MET 1 CO 0.15 0.44 -0.91 1.63 1.06 0.00 0.00 176.91 179.28 1iio n LYS 2 N -4.81 -4.99 0.12 1.72 4.76 -1.26 -4.88 118.16 108.82 1iio n LYS 2 Ca -0.06 3.60 -0.12 0.00 -2.87 0.00 0.00 58.31 58.86 1iio n LYS 2 Cb 0.20 -3.95 -0.08 0.00 -1.84 0.00 0.00 35.03 29.36 1iio n LYS 2 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1iio h MET 3 N 3.01 -0.32 0.00 1.97 2.86 -2.02 -3.49 114.93 116.94 1iio h MET 3 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1iio h MET 3 Cb 0.00 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1iio h MET 3 CO 0.00 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1iio n GLY 4 N -0.02 2.84 0.00 8.32 0.00 -1.26 -4.97 105.19 110.10 1iio n GLY 4 Ca -0.09 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 0.77 -0.28 1.61 3.14 -1.26 -3.46 118.33 118.84 1iio n VAL 5 Ca 0.00 0.19 0.09 0.00 -2.96 0.00 0.00 64.34 61.66 1iio n VAL 5 Cb 0.00 -1.03 0.22 0.00 -1.06 0.00 0.00 33.84 31.97 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 0.11 0.03 1.45 3.64 -1.98 0.91 116.57 120.74 1iio h LYS 6 Ca 0.00 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1iio h LYS 6 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1iio h LYS 6 CO 0.00 0.07 -0.98 0.93 -2.27 0.00 0.00 179.45 177.21 1iio h GLU 7 N 0.12 0.19 0.16 1.90 5.08 -1.97 -2.59 114.58 117.46 1iio h GLU 7 Ca 0.48 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1iio h GLU 7 Cb 0.92 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1iio h GLU 7 CO -0.71 1.02 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.80 1iio h ASP 8 N 0.09 -0.18 -0.25 1.42 5.19 0.32 0.22 116.42 123.23 1iio h ASP 8 Ca -0.06 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 1iio h ASP 8 Cb 1.65 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.20 1iio h ASP 8 CO 0.15 0.09 0.03 0.40 -3.12 0.00 0.00 179.24 176.79 1iio h ILE 9 N -0.46 1.24 -0.44 0.35 2.04 0.12 -1.45 117.51 118.91 1iio h ILE 9 Ca -0.02 -0.81 0.12 0.00 1.00 0.00 0.00 64.86 65.15 1iio h ILE 9 Cb 0.36 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1iio h ILE 9 CO 0.04 0.26 0.32 -0.09 0.00 0.00 0.00 178.15 178.67 1iio h ARG 10 N 0.22 0.06 -0.70 2.37 2.43 -1.44 0.58 114.38 117.89 1iio h ARG 10 Ca 0.07 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1iio h ARG 10 Cb 0.35 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1iio h ARG 10 CO 0.01 0.04 0.18 0.78 -1.51 0.00 0.00 179.97 179.46 1iio h GLY 11 N 0.06 1.19 1.90 2.80 0.00 0.50 0.16 103.07 109.68 1iio h GLY 11 Ca 0.21 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1iio h GLY 11 CO -0.01 0.69 -0.42 1.46 0.00 0.00 0.00 176.54 178.26 1iio h GLN 12 N 1.04 0.12 -0.12 4.80 4.20 0.56 -2.76 115.11 122.95 1iio h GLN 12 Ca 0.22 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1iio h GLN 12 Cb 0.36 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1iio h GLN 12 CO 0.00 0.52 -0.23 0.82 -0.67 0.00 0.00 178.83 179.27 1iio h ILE 13 N 0.10 1.38 0.16 2.54 2.04 0.24 0.71 117.51 124.68 1iio h ILE 13 Ca 0.01 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1iio h ILE 13 Cb 0.79 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1iio h ILE 13 CO 0.06 0.44 -0.17 0.40 0.00 0.00 0.00 178.15 178.88 1iio h ILE 14 N -0.05 0.63 -0.46 -0.67 1.08 -0.65 0.25 117.51 117.64 1iio h ILE 14 Ca 0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.41 1iio h ILE 14 Cb 0.82 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1iio h ILE 14 CO 0.05 0.00 0.00 1.23 -0.69 0.00 0.00 178.15 178.74 1iio h GLY 15 N -0.36 0.81 2.00 5.37 0.00 -1.56 -1.92 103.07 107.41 1iio h GLY 15 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1iio h GLY 15 CO -0.05 0.49 -0.13 0.00 0.00 0.00 0.00 176.54 176.85 1iio h ALA 16 N 1.30 1.76 0.00 3.60 0.00 -0.25 -2.02 119.26 123.65 1iio h ALA 16 Ca 0.14 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 16 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 16 CO 0.02 0.16 -1.03 -0.07 0.00 0.00 0.00 179.25 178.33 1iio h LEU 17 N 0.00 0.00 -9.57 0.00 3.38 0.12 -3.04 115.31 106.20 1iio h LEU 17 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1iio h LEU 17 Cb 0.23 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.05 1iio h LEU 17 CO 0.02 0.94 0.80 0.00 0.09 0.00 0.00 178.44 180.29 1iio n ALA 18 N -2.36 1.64 0.00 1.53 0.00 -0.76 -2.56 120.51 118.01 1iio n ALA 18 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1iio n ALA 18 Cb 0.93 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 3.11 1.96 2.91 0.00 0.00 -1.26 -4.73 105.19 107.17 1iio n GLY 19 Ca 0.15 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.84 -1.00 4.61 0.00 -1.06 -4.93 120.51 115.29 1iio n ALA 20 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 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 -1.87 0.00 -3.40 0.00 8.00 -1.26 -4.83 116.55 113.19 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 0.32 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.72 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 -3.49 -0.62 1.24 1.16 -1.26 -4.62 117.46 109.87 1iio n PHE 22 Ca 0.00 -0.73 -0.30 0.00 -1.87 0.00 0.00 57.45 54.55 1iio n PHE 22 Cb 0.00 -1.39 -0.05 0.00 -1.61 0.00 0.00 39.48 36.43 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 -5.75 0.87 0.00 3.97 -0.04 -1.26 -3.58 135.00 129.21 1iio n PRO 23 Ca 0.12 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1iio n PRO 23 Cb 0.60 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 5.67 0.00 -0.53 0.52 2.08 -1.26 -2.54 119.36 123.31 1iio n ILE 24 Ca 0.37 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.41 1iio n ILE 24 Cb 0.26 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.10 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 1.77 -1.43 4.38 4.13 -1.23 -4.08 115.26 118.80 1iio n ASN 25 Ca 0.00 -2.35 0.10 0.00 1.68 0.00 0.00 54.58 54.01 1iio n ASN 25 Cb 0.00 -0.74 -0.06 0.00 -1.54 0.00 0.00 39.78 37.44 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 6.56 -7.26 -0.27 6.41 3.41 -1.08 -2.04 113.62 119.34 1iio n SER 26 Ca 0.33 1.46 0.27 0.00 -0.26 0.00 0.00 58.87 60.66 1iio n SER 26 Cb 0.23 -4.72 0.63 0.00 -0.26 0.00 0.00 64.21 60.10 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 -0.87 0.17 0.14 4.33 0.11 -1.91 -0.08 132.00 133.90 1iio h PRO 27 Ca -0.12 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.00 1iio h PRO 27 Cb 1.12 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1iio h PRO 27 CO 0.05 0.12 -0.43 0.93 -0.21 0.00 0.00 178.00 178.46 1iio h GLU 28 N 0.18 -0.65 0.15 1.05 5.08 -1.98 0.17 114.58 118.58 1iio h GLU 28 Ca 0.52 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 1iio h GLU 28 Cb 1.70 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1iio h GLU 28 CO -0.12 -0.43 -0.07 1.49 -1.00 0.00 0.00 179.01 178.88 1iio h GLU 29 N -0.67 -0.19 -0.75 2.33 4.57 -0.67 -1.99 114.58 117.21 1iio h GLU 29 Ca 0.02 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.36 1iio h GLU 29 Cb 0.69 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.22 1iio h GLU 29 CO -0.24 0.03 0.26 1.37 -1.18 0.00 0.00 179.01 179.25 1iio h LEU 30 N -1.02 0.19 -1.41 1.64 8.10 -1.12 1.51 115.31 123.21 1iio h LEU 30 Ca -0.02 0.12 -0.06 0.00 0.11 0.00 0.00 57.88 58.04 1iio h LEU 30 Cb 0.31 0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 1iio h LEU 30 CO 0.03 0.05 -0.21 -0.03 -4.11 0.00 0.00 178.44 174.17 1iio h MET 31 N 0.38 0.12 -0.07 0.17 4.05 -0.78 -1.55 114.93 117.25 1iio h MET 31 Ca 0.42 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.71 1iio h MET 31 Cb 0.67 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1iio h MET 31 CO -0.44 0.34 -0.39 0.00 0.23 0.00 0.00 176.91 176.64 1iio h ALA 32 N 1.67 1.22 -0.33 0.39 0.00 0.27 -3.06 119.26 119.42 1iio h ALA 32 Ca 0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1iio h ALA 32 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1iio h ALA 32 CO 0.03 0.55 -0.41 0.00 0.00 0.00 0.00 179.25 179.42 1iio h ALA 33 N 1.48 0.65 -0.35 0.00 0.00 0.65 -3.45 119.26 118.24 1iio h ALA 33 Ca 0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 1iio h ALA 33 Cb 0.75 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1iio h ALA 33 CO 0.06 0.67 0.03 1.28 0.00 0.00 0.00 179.25 181.28 1iio n LEU 34 N -4.04 0.01 0.11 0.00 4.32 -1.05 -4.76 117.00 111.58 1iio n LEU 34 Ca -0.02 0.40 0.17 0.00 -0.02 0.00 0.00 56.01 56.54 1iio n LEU 34 Cb 0.55 -0.32 0.72 0.00 -1.62 0.00 0.00 43.42 42.75 1iio n LEU 34 CO 0.48 -0.65 1.16 1.55 -1.22 0.00 0.00 177.39 178.70 1iio h PRO 35 N 1.05 0.00 0.00 3.23 0.13 -1.88 -1.80 132.00 132.73 1iio h PRO 35 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.86 1iio h PRO 35 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1iio h PRO 35 CO 0.23 0.00 -0.44 -0.97 -0.23 0.00 0.00 178.00 176.59 1iio h ASN 36 N 0.00 0.00 0.00 1.44 -1.24 -1.95 -3.48 115.58 110.35 1iio h ASN 36 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1iio h ASN 36 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.76 1iio h ASN 36 CO -0.00 0.44 0.00 0.61 -1.29 0.00 0.00 177.43 177.18 1iio n GLY 37 N 0.20 1.90 2.02 1.57 0.00 -0.68 -4.78 105.19 105.41 1iio n GLY 37 Ca -0.01 -0.62 -0.14 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 1.88 -2.29 1.61 -0.04 -1.26 -4.80 135.00 130.10 1iio n PRO 38 Ca 0.00 -1.25 -0.02 0.00 -0.04 0.00 0.00 63.50 62.19 1iio n PRO 38 Cb 0.00 -1.79 -0.02 0.00 -0.04 0.00 0.00 33.50 31.66 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 1.54 -3.45 -4.77 3.54 8.00 -1.26 -4.96 116.55 115.20 1iio n ASP 39 Ca 0.34 0.96 -0.38 0.00 0.71 0.00 0.00 54.79 56.42 1iio n ASP 39 Cb 0.69 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 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 -0.79 2.76 -0.24 -3.53 -1.32 -1.26 -4.98 115.64 106.28 1iio s THR 40 Ca -0.10 0.61 -0.07 0.00 -1.21 0.00 0.00 61.69 60.92 1iio s THR 40 Cb 0.01 -3.33 -0.03 0.00 -1.51 0.00 0.00 72.50 67.64 1iio s THR 40 CO 0.55 0.03 0.06 -0.89 -2.21 0.00 0.00 174.62 172.15 1iio s THR 41 N -1.40 4.26 -0.27 5.08 2.01 -1.26 -4.61 115.64 119.46 1iio s THR 41 Ca 0.62 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 1iio s THR 41 Cb -0.34 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.21 1iio s THR 41 CO 0.42 0.36 2.68 0.00 -0.69 0.00 0.00 174.62 177.39 1iio s LYS 43 N -0.95 3.88 -0.18 0.00 -2.85 -1.26 -4.07 119.74 114.31 1iio s LYS 43 Ca 0.47 1.32 -0.08 0.00 -1.00 0.00 0.00 55.97 56.68 1iio s LYS 43 Cb 0.29 -2.11 0.07 0.00 -2.06 0.00 0.00 37.83 34.02 1iio s LYS 43 CO -0.09 -0.36 0.41 -1.12 0.10 0.00 0.00 175.35 174.29 1iio s SER 44 N -2.01 -0.41 0.00 0.03 0.01 0.14 -4.95 113.70 106.51 1iio s SER 44 Ca 0.66 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1iio s SER 44 Cb -0.15 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.01 1iio s SER 44 CO 0.19 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1iio n GLY 45 N 4.61 0.83 0.01 3.44 0.00 -1.26 -2.66 105.19 110.16 1iio n GLY 45 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1iio n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iio n ASP 46 N 1.74 0.00 -4.76 1.61 5.68 -1.26 -5.13 116.55 114.42 1iio n ASP 46 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 1iio n ASP 46 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1iio s VAL 47 N -1.01 2.75 -0.06 2.12 1.01 -1.09 -5.03 120.40 119.09 1iio s VAL 47 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.74 1iio s VAL 47 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1iio s VAL 47 CO 0.00 0.16 -0.17 -1.61 0.00 0.00 0.00 175.10 173.49 1iio s GLU 48 N -1.53 1.99 -0.03 2.72 2.02 -1.26 -0.69 118.70 121.92 1iio s GLU 48 Ca 0.50 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.87 1iio s GLU 48 Cb -0.40 -1.64 0.01 0.00 0.10 0.00 0.00 34.13 32.20 1iio s GLU 48 CO 0.51 0.16 0.08 -0.51 0.02 0.00 0.00 175.26 175.52 1iio s LEU 49 N 0.30 1.65 0.00 1.80 2.01 -1.26 -4.91 118.68 118.27 1iio s LEU 49 Ca -0.10 0.17 -0.16 0.00 0.01 0.00 0.00 54.13 54.05 1iio s LEU 49 Cb -0.14 0.28 0.05 0.00 0.01 0.00 0.00 46.19 46.39 1iio s LEU 49 CO 0.04 -0.03 0.73 2.29 1.01 0.00 0.00 176.35 180.39 1iio n LYS 50 N 3.08 0.22 -0.16 1.70 2.85 -1.26 -0.60 118.16 123.99 1iio n LYS 50 Ca -0.13 -0.63 -0.10 0.00 -1.05 0.00 0.00 58.31 56.40 1iio n LYS 50 Cb 0.59 0.95 -0.00 0.00 -0.65 0.00 0.00 35.03 35.92 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 0.61 0.15 0.58 0.00 -1.95 0.17 119.26 120.82 1iio h ALA 51 Ca -0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1iio h ALA 51 Cb 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1iio h ALA 51 CO 0.20 0.41 -0.07 1.03 0.00 0.00 0.00 179.25 180.82 1iio h SER 52 N 0.65 -0.17 -0.01 0.00 0.87 -1.93 0.49 113.55 113.45 1iio h SER 52 Ca 0.13 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1iio h SER 52 Cb 0.51 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1iio h SER 52 CO 0.03 0.22 -0.01 0.44 -0.53 0.00 0.00 176.83 176.97 1iio h ASP 53 N -0.59 0.02 0.05 6.23 5.19 -1.95 -3.30 116.42 122.07 1iio h ASP 53 Ca -0.02 -0.55 -0.23 0.00 -0.62 0.00 0.00 57.03 55.60 1iio h ASP 53 Cb 0.45 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1iio h ASP 53 CO 0.03 0.57 -1.25 0.00 -3.12 0.00 0.00 179.24 175.48 1iio h ALA 54 N 0.45 0.23 -0.96 3.45 0.00 -0.80 -3.36 119.26 118.27 1iio h ALA 54 Ca 0.00 -1.12 0.28 0.00 0.00 0.00 0.00 54.91 54.07 1iio h ALA 54 Cb 0.57 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1iio h ALA 54 CO 0.00 0.73 0.92 0.78 0.00 0.00 0.00 179.25 181.68 1iio h GLY 55 N -0.44 0.00 -1.06 0.00 0.00 0.51 -1.38 103.07 100.70 1iio h GLY 55 Ca -0.30 0.00 0.43 0.00 0.00 0.00 0.00 47.33 47.45 1iio h GLY 55 CO -0.07 0.00 0.79 0.06 0.00 0.00 0.00 176.54 177.31 1iio h GLN 56 N 0.00 0.09 -0.21 4.80 3.07 -1.63 0.94 115.11 122.17 1iio h GLN 56 Ca 0.46 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 59.12 1iio h GLN 56 Cb 2.28 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.81 1iio h GLN 56 CO -0.00 0.06 -0.16 -0.39 0.09 0.00 0.00 178.83 178.42 1iio h VAL 57 N 0.09 1.22 -2.80 1.86 -1.51 -1.55 -3.42 116.25 110.14 1iio h VAL 57 Ca 0.82 -0.99 -0.54 0.00 -1.23 0.00 0.00 66.70 64.76 1iio h VAL 57 Cb 2.46 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.87 1iio h VAL 57 CO -0.49 0.31 0.92 -0.76 -1.23 0.00 0.00 177.57 176.32 1iio s LEU 58 N -8.74 4.33 0.00 4.19 1.43 0.33 -5.01 118.68 115.21 1iio s LEU 58 Ca -0.06 2.25 -0.04 0.00 -1.03 0.00 0.00 54.13 55.24 1iio s LEU 58 Cb 0.15 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.89 1iio s LEU 58 CO 0.76 -0.80 0.48 0.35 0.23 0.00 0.00 176.35 177.36 1iio n THR 59 N 4.78 0.00 -0.14 5.49 -2.24 -1.26 -4.93 114.28 115.98 1iio n THR 59 Ca 0.15 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 1iio n THR 59 Cb 0.42 -1.60 -0.01 0.00 -2.10 0.00 0.00 70.33 67.04 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 -1.45 0.52 -0.18 6.98 0.00 -1.98 -2.43 119.26 120.72 1iio h ALA 60 Ca -0.16 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1iio h ALA 60 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1iio h ALA 60 CO 0.13 0.17 0.26 -0.44 0.00 0.00 0.00 179.25 179.36 1iio h ASP 61 N 0.50 0.00 0.22 0.00 3.32 -2.02 -0.57 116.42 117.86 1iio h ASP 61 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1iio h ASP 61 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1iio h ASP 61 CO -0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1iio n ASP 62 N -3.53 0.00 0.00 6.45 9.92 -0.91 -4.02 116.55 124.45 1iio n ASP 62 Ca 0.02 0.49 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 1iio n ASP 62 Cb 0.37 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.49 0.00 -1.41 1.24 3.01 -0.22 -2.79 117.46 115.79 1iio n PHE 63 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 1iio n PHE 63 Cb 0.08 -0.45 -0.07 0.00 -0.01 0.00 0.00 39.48 39.03 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 -2.80 1.19 -2.63 -1.08 -0.04 -1.26 -2.63 135.00 125.75 1iio n PRO 64 Ca 0.00 -1.93 -0.38 0.00 -0.04 0.00 0.00 63.50 61.16 1iio n PRO 64 Cb 0.00 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.18 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 8.53 3.52 -0.66 0.54 0.08 -1.12 -4.91 117.98 123.97 1iio s PHE 65 Ca 0.65 1.72 -0.20 0.00 0.12 0.00 0.00 56.93 59.22 1iio s PHE 65 Cb 0.08 -3.07 -0.17 0.00 -0.57 0.00 0.00 43.02 39.28 1iio s PHE 65 CO 0.17 -0.24 1.88 1.63 -0.10 0.00 0.00 175.22 178.55 1iio n LYS 66 N 0.48 1.33 -1.46 0.44 5.02 -1.26 -4.78 118.16 117.93 1iio n LYS 66 Ca 0.02 -1.64 0.18 0.00 -2.02 0.00 0.00 58.31 54.85 1iio n LYS 66 Cb 0.49 -2.77 -0.09 0.00 -0.02 0.00 0.00 35.03 32.63 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1iio n SER 67 N 7.17 -8.00 -0.16 4.39 7.64 -1.20 -2.57 113.62 120.89 1iio n SER 67 Ca 0.47 1.42 0.26 0.00 1.01 0.00 0.00 58.87 62.03 1iio n SER 67 Cb 0.36 -5.00 0.70 0.00 -1.01 0.00 0.00 64.21 59.25 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 -1.45 2.72 -0.26 -0.43 0.00 -1.80 -1.28 119.26 116.77 1iio h ALA 68 Ca -0.19 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1iio h ALA 68 Cb 1.39 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1iio h ALA 68 CO 0.07 -0.97 0.08 1.05 0.00 0.00 0.00 179.25 179.48 1iio h GLU 69 N 0.05 0.18 -0.09 0.00 4.11 -1.91 0.10 114.58 117.03 1iio h GLU 69 Ca 0.41 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.69 1iio h GLU 69 Cb 1.55 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1iio h GLU 69 CO -0.03 0.12 -0.55 1.05 0.07 0.00 0.00 179.01 179.68 1iio h GLU 70 N 0.19 0.27 -0.57 1.06 4.11 -0.97 -2.86 114.58 115.82 1iio h GLU 70 Ca 0.11 -0.17 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1iio h GLU 70 Cb 0.09 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1iio h GLU 70 CO -0.13 0.75 0.12 0.28 0.07 0.00 0.00 179.01 180.10 1iio h VAL 71 N 0.21 1.25 0.03 -1.06 2.07 -1.14 0.28 116.25 117.89 1iio h VAL 71 Ca 0.00 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1iio h VAL 71 Cb 1.03 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1iio h VAL 71 CO 0.09 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 178.00 1iio h ALA 72 N 1.02 -0.05 -0.36 1.67 0.00 -0.71 0.15 119.26 120.98 1iio h ALA 72 Ca 0.18 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1iio h ALA 72 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 72 CO 0.01 -0.51 -0.29 -0.44 0.00 0.00 0.00 179.25 178.02 1iio h ASP 73 N -0.07 0.77 0.13 0.00 3.32 -1.41 -2.76 116.42 116.41 1iio h ASP 73 Ca -0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1iio h ASP 73 Cb 0.06 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1iio h ASP 73 CO 0.01 1.01 -0.06 0.74 -1.72 0.00 0.00 179.24 179.22 1iio h THR 74 N 0.64 1.02 0.08 0.35 2.02 -0.24 -2.49 112.91 114.29 1iio h THR 74 Ca 0.08 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.56 1iio h THR 74 Cb 0.81 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1iio h THR 74 CO 0.07 0.17 -0.11 0.40 0.37 0.00 0.00 175.52 176.41 1iio h ILE 75 N -0.52 0.73 -0.96 3.11 2.04 -0.76 -2.28 117.51 118.88 1iio h ILE 75 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1iio h ILE 75 Cb 0.41 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1iio h ILE 75 CO 0.03 0.00 0.62 -0.37 0.00 0.00 0.00 178.15 178.43 1iio h VAL 76 N -0.24 1.01 0.30 1.67 -1.51 -1.56 0.39 116.25 116.31 1iio h VAL 76 Ca 0.02 -0.35 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1iio h VAL 76 Cb 0.24 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.30 1iio h VAL 76 CO -0.06 0.19 -0.14 0.78 -1.23 0.00 0.00 177.57 177.11 1iio h ASN 77 N 1.02 -0.34 -0.40 4.19 -0.26 -1.06 0.88 115.58 119.61 1iio h ASN 77 Ca 0.44 -0.04 -0.14 0.00 -0.56 0.00 0.00 56.30 56.00 1iio h ASN 77 Cb 0.33 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1iio h ASN 77 CO -0.19 -0.18 -0.31 0.11 -1.06 0.00 0.00 177.43 175.80 1iio h LYS 78 N -0.47 0.92 0.00 0.81 1.57 -1.08 -3.09 116.57 115.23 1iio h LYS 78 Ca -0.04 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 1iio h LYS 78 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1iio h LYS 78 CO 0.07 1.11 -0.35 0.00 -0.57 0.00 0.00 179.45 179.70 1iio h ALA 79 N 0.79 1.40 0.00 3.86 0.00 -0.19 -3.47 119.26 121.65 1iio h ALA 79 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iio h ALA 79 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1iio h ALA 79 CO 0.08 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1iio n GLY 80 N -0.50 1.47 0.00 0.00 0.00 0.25 -5.05 105.19 101.36 1iio n GLY 80 Ca -0.02 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.01 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36