#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 5.58 -0.09 1.61 3.41 -1.26 -4.59 113.62 118.29 1iio n SER -2 Ca 0.00 -2.44 -0.07 0.00 -0.26 0.00 0.00 58.87 56.10 1iio n SER -2 Cb 0.00 -1.37 0.01 0.00 -0.26 0.00 0.00 64.21 62.59 1iio n SER -2 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1iio h HIS -1 N 3.56 0.11 -6.24 7.33 -0.00 -2.08 -3.46 115.15 114.37 1iio h HIS -1 Ca 0.30 0.02 -0.45 0.00 -0.00 0.00 0.00 60.37 60.24 1iio h HIS -1 Cb 1.21 -0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.62 1iio h HIS -1 CO 1.77 0.02 -0.83 -1.33 -0.00 0.00 0.00 177.93 177.57 1iio n MET 1 N -5.09 -4.59 -0.64 5.12 2.81 -1.26 -4.85 117.12 108.62 1iio n MET 1 Ca 0.00 0.56 -0.10 0.00 -1.81 0.00 0.00 57.70 56.35 1iio n MET 1 Cb 0.14 -5.08 0.04 0.00 -0.71 0.00 0.00 33.22 27.61 1iio n MET 1 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iio n LYS 2 N -4.37 1.50 -2.56 0.03 4.76 -1.26 -4.92 118.16 111.35 1iio n LYS 2 Ca -0.24 -1.05 -0.42 0.00 -2.87 0.00 0.00 58.31 53.73 1iio n LYS 2 Cb 0.65 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.40 1iio n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iio s MET 3 N -1.20 4.42 0.00 1.97 0.23 -1.26 -4.57 119.30 118.89 1iio s MET 3 Ca 0.20 1.57 0.00 0.00 -1.03 0.00 0.00 55.69 56.44 1iio s MET 3 Cb 0.16 -3.50 0.00 0.00 -1.53 0.00 0.00 34.83 29.97 1iio s MET 3 CO 0.01 -0.30 0.00 0.41 -2.03 0.00 0.00 175.02 173.11 1iio n GLY 4 N 3.18 -0.39 0.00 3.16 0.00 -1.26 -4.90 105.19 104.98 1iio n GLY 4 Ca 0.09 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.17 -0.29 1.61 3.14 -1.26 -3.82 118.33 117.88 1iio n VAL 5 Ca 0.00 0.04 0.09 0.00 -2.96 0.00 0.00 64.34 61.51 1iio n VAL 5 Cb 0.00 -0.61 0.22 0.00 -1.06 0.00 0.00 33.84 32.39 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 0.12 0.04 1.45 3.11 -1.90 0.94 116.57 120.32 1iio h LYS 6 Ca 0.00 -0.01 -0.22 0.00 -2.81 0.00 0.00 60.65 57.61 1iio h LYS 6 Cb 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1iio h LYS 6 CO 0.00 0.08 -1.00 1.49 -2.81 0.00 0.00 179.45 177.21 1iio h GLU 7 N 0.13 0.22 0.19 1.90 4.81 -1.88 -2.52 114.58 117.43 1iio h GLU 7 Ca 0.49 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1iio h GLU 7 Cb 0.94 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1iio h GLU 7 CO -0.71 1.05 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.10 1iio h ASP 8 N 0.10 -0.21 -0.20 1.04 3.32 0.38 0.21 116.42 121.06 1iio h ASP 8 Ca -0.07 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1iio h ASP 8 Cb 1.67 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.27 1iio h ASP 8 CO 0.16 0.03 -0.02 0.40 -1.72 0.00 0.00 179.24 178.09 1iio h ILE 9 N -0.46 1.27 -0.49 0.35 2.04 0.13 -1.76 117.51 118.59 1iio h ILE 9 Ca -0.03 -0.93 0.14 0.00 1.00 0.00 0.00 64.86 65.05 1iio h ILE 9 Cb 0.35 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1iio h ILE 9 CO 0.04 0.28 0.36 -0.09 0.00 0.00 0.00 178.15 178.74 1iio h ARG 10 N 0.12 0.00 -0.51 2.37 2.43 -1.44 0.49 114.38 117.84 1iio h ARG 10 Ca 0.06 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1iio h ARG 10 Cb 0.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1iio h ARG 10 CO 0.01 0.00 0.07 0.78 -1.51 0.00 0.00 179.97 179.33 1iio h GLY 11 N 0.00 0.91 1.94 2.80 0.00 0.30 0.15 103.07 109.17 1iio h GLY 11 Ca 0.23 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1iio h GLY 11 CO -0.00 0.57 -0.44 1.46 0.00 0.00 0.00 176.54 178.13 1iio h GLN 12 N 0.72 0.07 -0.13 4.80 4.20 0.27 -2.75 115.11 122.29 1iio h GLN 12 Ca 0.15 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1iio h GLN 12 Cb 0.41 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1iio h GLN 12 CO 0.01 0.50 -0.28 0.82 -0.67 0.00 0.00 178.83 179.21 1iio h ILE 13 N 0.06 1.37 0.10 2.54 2.04 0.02 0.13 117.51 123.77 1iio h ILE 13 Ca 0.00 -1.56 0.01 0.00 1.00 0.00 0.00 64.86 64.31 1iio h ILE 13 Cb 0.81 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1iio h ILE 13 CO 0.06 0.46 -0.12 0.40 0.00 0.00 0.00 178.15 178.95 1iio h ILE 14 N 0.02 0.73 -0.48 -0.67 1.08 -0.65 0.24 117.51 117.78 1iio h ILE 14 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.40 1iio h ILE 14 Cb 0.88 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1iio h ILE 14 CO 0.06 0.00 -0.01 1.23 -0.69 0.00 0.00 178.15 178.74 1iio h GLY 15 N -0.25 0.87 2.00 5.37 0.00 -1.55 -1.64 103.07 107.86 1iio h GLY 15 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1iio h GLY 15 CO -0.04 0.55 -0.06 0.00 0.00 0.00 0.00 176.54 176.98 1iio h ALA 16 N 1.24 1.75 0.00 3.60 0.00 -0.11 -1.80 119.26 123.93 1iio h ALA 16 Ca 0.14 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1iio h ALA 16 Cb 0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1iio h ALA 16 CO 0.02 0.08 -1.22 -0.07 0.00 0.00 0.00 179.25 178.06 1iio h LEU 17 N 0.00 0.00 -9.50 0.00 3.38 0.19 -2.91 115.31 106.47 1iio h LEU 17 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1iio h LEU 17 Cb 0.13 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.92 1iio h LEU 17 CO 0.01 0.96 1.05 0.00 0.09 0.00 0.00 178.44 180.54 1iio n ALA 18 N -2.41 2.00 0.00 1.53 0.00 -0.68 -2.74 120.51 118.21 1iio n ALA 18 Ca -0.06 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1iio n ALA 18 Cb 0.96 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 4.09 2.06 1.54 0.00 0.00 -1.26 -4.77 105.19 106.85 1iio n GLY 19 Ca 0.18 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.72 -1.00 4.61 0.00 -1.11 -4.93 120.51 116.37 1iio n ALA 20 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1iio n ALA 20 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.29 0.00 -3.33 0.00 9.92 -1.26 -4.84 116.55 114.75 1iio n ASP 21 Ca 0.04 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.00 1iio n ASP 21 Cb 0.20 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 40.97 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 -3.59 -0.67 1.24 1.16 -1.26 -4.60 117.46 109.74 1iio n PHE 22 Ca 0.00 -0.74 -0.35 0.00 -1.87 0.00 0.00 57.45 54.49 1iio n PHE 22 Cb 0.00 -1.37 -0.07 0.00 -1.61 0.00 0.00 39.48 36.44 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 -5.62 0.77 0.00 3.97 -0.04 -1.26 -3.59 135.00 129.23 1iio n PRO 23 Ca 0.13 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1iio n PRO 23 Cb 0.59 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 6.00 0.00 -0.50 0.52 2.08 -1.26 -2.64 119.36 123.56 1iio n ILE 24 Ca 0.40 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.44 1iio n ILE 24 Cb 0.31 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.15 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 1.56 -1.33 4.38 4.13 -1.24 -4.09 115.26 118.67 1iio n ASN 25 Ca 0.00 -2.35 0.13 0.00 1.68 0.00 0.00 54.58 54.04 1iio n ASN 25 Cb 0.00 -0.70 -0.07 0.00 -1.54 0.00 0.00 39.78 37.47 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 6.75 -6.65 -0.25 6.41 3.41 -1.01 -2.06 113.62 120.22 1iio n SER 26 Ca 0.32 1.28 0.22 0.00 -0.26 0.00 0.00 58.87 60.44 1iio n SER 26 Cb 0.24 -4.48 0.55 0.00 -0.26 0.00 0.00 64.21 60.27 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 -1.18 0.31 0.04 4.33 0.11 -1.90 0.12 132.00 133.83 1iio h PRO 27 Ca -0.15 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.97 1iio h PRO 27 Cb 1.12 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1iio h PRO 27 CO 0.06 0.21 -0.43 0.93 -0.21 0.00 0.00 178.00 178.55 1iio h GLU 28 N 0.32 -0.59 0.16 1.05 5.08 -1.98 0.18 114.58 118.79 1iio h GLU 28 Ca 0.49 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1iio h GLU 28 Cb 1.36 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1iio h GLU 28 CO -0.17 -0.39 -0.07 1.49 -1.00 0.00 0.00 179.01 178.87 1iio h GLU 29 N -0.61 -0.20 -0.80 2.33 4.57 -0.75 -2.27 114.58 116.85 1iio h GLU 29 Ca 0.04 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.39 1iio h GLU 29 Cb 0.67 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.20 1iio h GLU 29 CO -0.30 0.02 0.32 1.37 -1.18 0.00 0.00 179.01 179.24 1iio h LEU 30 N -1.02 0.28 -1.41 1.64 8.10 -1.05 1.55 115.31 123.40 1iio h LEU 30 Ca -0.02 0.12 -0.05 0.00 0.11 0.00 0.00 57.88 58.04 1iio h LEU 30 Cb 0.31 0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1iio h LEU 30 CO 0.04 0.08 -0.11 -0.03 -4.11 0.00 0.00 178.44 174.31 1iio h MET 31 N 0.43 0.26 0.00 0.17 4.05 -0.76 -1.28 114.93 117.80 1iio h MET 31 Ca 0.45 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.72 1iio h MET 31 Cb 0.74 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1iio h MET 31 CO -0.44 0.37 -0.47 0.00 0.23 0.00 0.00 176.91 176.60 1iio h ALA 32 N 1.65 1.17 -0.36 0.39 0.00 0.26 -3.05 119.26 119.32 1iio h ALA 32 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1iio h ALA 32 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1iio h ALA 32 CO 0.02 0.59 -0.31 0.00 0.00 0.00 0.00 179.25 179.55 1iio h ALA 33 N 1.53 0.77 -0.87 0.00 0.00 0.77 -3.40 119.26 118.05 1iio h ALA 33 Ca -0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 54.91 54.12 1iio h ALA 33 Cb 0.86 -0.13 0.08 0.00 0.00 0.00 0.00 17.79 18.60 1iio h ALA 33 CO 0.06 0.65 -0.49 1.28 0.00 0.00 0.00 179.25 180.76 1iio n LEU 34 N -4.07 -1.43 -0.32 0.00 4.32 -1.06 -4.63 117.00 109.81 1iio n LEU 34 Ca -0.01 0.52 0.15 0.00 -0.02 0.00 0.00 56.01 56.65 1iio n LEU 34 Cb 0.49 -0.52 0.34 0.00 -1.62 0.00 0.00 43.42 42.11 1iio n LEU 34 CO 0.46 -2.26 1.07 1.55 -1.22 0.00 0.00 177.39 177.00 1iio h PRO 35 N 0.29 0.41 0.00 3.23 0.13 -1.90 0.29 132.00 134.45 1iio h PRO 35 Ca -0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1iio h PRO 35 Cb 0.84 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1iio h PRO 35 CO 0.29 0.27 0.00 -2.95 -0.23 0.00 0.00 178.00 175.38 1iio h ASN 36 N 0.42 0.00 0.00 1.44 -0.00 -1.94 -3.48 115.58 112.02 1iio h ASN 36 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.90 1iio h ASN 36 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1iio h ASN 36 CO -0.53 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.51 1iio n GLY 37 N 0.25 2.27 0.07 9.14 0.00 0.10 -4.80 105.19 112.22 1iio n GLY 37 Ca 0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -0.03 1.61 0.13 -1.78 -3.33 132.00 128.61 1iio h PRO 38 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1iio h PRO 38 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1iio h PRO 38 CO 0.00 0.81 -0.03 0.16 -0.23 0.00 0.00 178.00 178.71 1iio s ASP 39 N -6.12 -0.04 0.24 1.44 -4.77 -1.24 -3.86 116.67 102.33 1iio s ASP 39 Ca -0.16 -0.02 -0.30 0.00 -3.30 0.00 0.00 52.55 48.77 1iio s ASP 39 Cb -0.02 0.05 -0.09 0.00 -1.09 0.00 0.00 42.92 41.77 1iio s ASP 39 CO 0.56 -0.00 1.22 0.28 0.70 0.00 0.00 175.17 177.92 1iio s THR 40 N 1.84 3.29 -0.17 2.11 -1.32 -1.26 -4.94 115.64 115.19 1iio s THR 40 Ca 0.15 1.17 -0.19 0.00 -1.21 0.00 0.00 61.69 61.61 1iio s THR 40 Cb 0.06 -3.75 -0.03 0.00 -1.51 0.00 0.00 72.50 67.27 1iio s THR 40 CO -0.16 0.23 0.55 -0.89 -2.21 0.00 0.00 174.62 172.14 1iio s THR 41 N -0.54 5.10 -0.85 5.08 2.01 -1.26 -4.76 115.64 120.41 1iio s THR 41 Ca 0.51 1.05 -0.02 0.00 0.31 0.00 0.00 61.69 63.53 1iio s THR 41 Cb -0.35 -3.88 0.35 0.00 0.01 0.00 0.00 72.50 68.64 1iio s THR 41 CO 0.42 0.20 2.01 0.00 -0.69 0.00 0.00 174.62 176.55 1iio s LYS 43 N -4.08 4.32 -0.23 0.00 -2.85 -1.26 -4.22 119.74 111.42 1iio s LYS 43 Ca 0.51 1.58 -0.19 0.00 -1.00 0.00 0.00 55.97 56.87 1iio s LYS 43 Cb 0.43 -2.74 0.06 0.00 -2.06 0.00 0.00 37.83 33.52 1iio s LYS 43 CO -0.40 -0.02 0.61 -1.12 0.10 0.00 0.00 175.35 174.52 1iio s SER 44 N -1.38 -0.68 -1.03 0.03 0.01 0.42 -4.92 113.70 106.14 1iio s SER 44 Ca 0.54 1.26 -0.00 0.00 1.31 0.00 0.00 55.95 59.05 1iio s SER 44 Cb -0.25 1.24 -0.00 0.00 0.21 0.00 0.00 66.02 67.22 1iio s SER 44 CO 0.31 -0.22 0.86 0.61 0.41 0.00 0.00 173.24 175.22 1iio n GLY 45 N 3.15 -0.28 2.48 3.44 0.00 -1.26 -2.15 105.19 110.58 1iio n GLY 45 Ca -0.16 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.85 -5.38 -4.10 1.61 9.92 -1.26 -4.96 116.55 109.54 1iio n ASP 46 Ca -0.24 0.33 -0.24 0.00 -0.53 0.00 0.00 54.79 54.10 1iio n ASP 46 Cb 0.65 -4.67 -0.16 0.00 -0.64 0.00 0.00 41.12 36.30 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1iio s VAL 47 N -2.79 1.25 -0.09 2.53 1.01 -0.91 -5.14 120.40 116.27 1iio s VAL 47 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1iio s VAL 47 Cb 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 1iio s VAL 47 CO 0.00 0.37 -0.24 -1.61 0.00 0.00 0.00 175.10 173.62 1iio s GLU 48 N 0.09 2.90 -0.04 2.72 2.02 -1.26 0.16 118.70 125.29 1iio s GLU 48 Ca -0.04 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 1iio s GLU 48 Cb -0.11 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.90 1iio s GLU 48 CO 0.02 0.21 0.09 -0.51 0.02 0.00 0.00 175.26 175.09 1iio s LEU 49 N 0.25 1.41 0.05 1.80 2.01 -1.26 -4.93 118.68 118.01 1iio s LEU 49 Ca -0.16 0.18 -0.26 0.00 0.01 0.00 0.00 54.13 53.90 1iio s LEU 49 Cb -0.17 0.27 0.09 0.00 0.01 0.00 0.00 46.19 46.39 1iio s LEU 49 CO 0.08 -0.07 1.20 -1.59 1.01 0.00 0.00 176.35 176.98 1iio s LYS 50 N 0.40 0.71 0.19 1.70 -2.85 -1.26 -2.30 119.74 116.33 1iio s LYS 50 Ca -0.03 -0.45 -0.08 0.00 -1.00 0.00 0.00 55.97 54.40 1iio s LYS 50 Cb -0.04 0.20 0.11 0.00 -2.06 0.00 0.00 37.83 36.03 1iio s LYS 50 CO -0.02 -0.33 1.68 0.00 0.10 0.00 0.00 175.35 176.78 1iio h ALA 51 N 2.00 0.89 0.10 0.59 0.00 -1.94 0.20 119.26 121.10 1iio h ALA 51 Ca -0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1iio h ALA 51 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1iio h ALA 51 CO 0.33 0.67 -0.05 1.03 0.00 0.00 0.00 179.25 181.22 1iio h SER 52 N 1.00 -0.12 0.06 0.00 0.87 -1.93 0.52 113.55 113.95 1iio h SER 52 Ca 0.19 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1iio h SER 52 Cb 0.50 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1iio h SER 52 CO 0.02 0.23 -0.03 0.44 -0.53 0.00 0.00 176.83 176.96 1iio h ASP 53 N -0.48 -0.06 0.06 6.23 5.19 -1.95 -3.33 116.42 122.08 1iio h ASP 53 Ca -0.01 -0.52 -0.26 0.00 -0.62 0.00 0.00 57.03 55.61 1iio h ASP 53 Cb 0.40 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 1iio h ASP 53 CO 0.02 0.52 -1.41 0.00 -3.12 0.00 0.00 179.24 175.26 1iio h ALA 54 N 0.17 0.27 -1.13 3.45 0.00 -0.75 -3.36 119.26 117.90 1iio h ALA 54 Ca -0.01 -1.18 0.33 0.00 0.00 0.00 0.00 54.91 54.05 1iio h ALA 54 Cb 0.58 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1iio h ALA 54 CO 0.01 0.84 1.00 0.78 0.00 0.00 0.00 179.25 181.89 1iio h GLY 55 N -0.22 0.00 -0.96 0.00 0.00 0.50 -0.26 103.07 102.12 1iio h GLY 55 Ca -0.34 0.00 0.41 0.00 0.00 0.00 0.00 47.33 47.40 1iio h GLY 55 CO -0.06 0.00 0.84 0.06 0.00 0.00 0.00 176.54 177.39 1iio h GLN 56 N 0.00 0.12 -0.20 4.80 3.07 -1.64 1.00 115.11 122.27 1iio h GLN 56 Ca 0.54 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 59.20 1iio h GLN 56 Cb 2.54 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 30.06 1iio h GLN 56 CO -0.01 0.08 -0.17 -0.39 0.09 0.00 0.00 178.83 178.44 1iio h VAL 57 N 0.13 1.22 -2.58 1.86 -1.51 -1.33 -3.42 116.25 110.61 1iio h VAL 57 Ca 0.78 -0.99 -0.55 0.00 -1.23 0.00 0.00 66.70 64.72 1iio h VAL 57 Cb 2.44 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 32.85 1iio h VAL 57 CO -0.37 0.31 1.12 -0.76 -1.23 0.00 0.00 177.57 176.64 1iio s LEU 58 N -8.72 4.26 0.58 4.19 1.43 0.35 -4.98 118.68 115.78 1iio s LEU 58 Ca -0.06 2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 55.09 1iio s LEU 58 Cb 0.15 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 1iio s LEU 58 CO 0.75 -1.01 1.03 0.42 0.23 0.00 0.00 176.35 177.77 1iio s THR 59 N 4.35 4.22 0.33 5.49 -4.23 -1.26 -4.90 115.64 119.65 1iio s THR 59 Ca 0.76 0.98 0.12 0.00 -1.18 0.00 0.00 61.69 62.36 1iio s THR 59 Cb -0.33 -3.57 0.32 0.00 1.34 0.00 0.00 72.50 70.25 1iio s THR 59 CO 0.31 -0.70 1.69 0.00 -0.54 0.00 0.00 174.62 175.38 1iio h ALA 60 N 0.39 1.86 -0.39 3.99 0.00 -1.96 0.70 119.26 123.85 1iio h ALA 60 Ca -0.46 0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1iio h ALA 60 Cb 1.20 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1iio h ALA 60 CO 0.59 -0.44 0.39 -0.44 0.00 0.00 0.00 179.25 179.35 1iio h ASP 61 N 0.42 0.00 0.00 0.00 5.19 -2.02 0.41 116.42 120.43 1iio h ASP 61 Ca 0.69 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.10 1iio h ASP 61 Cb 1.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.98 1iio h ASP 61 CO -0.56 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.03 1iio n ASP 62 N -3.82 0.00 -0.20 6.45 9.92 0.24 -4.21 116.55 124.93 1iio n ASP 62 Ca 0.07 -0.68 -0.05 0.00 -0.53 0.00 0.00 54.79 53.59 1iio n ASP 62 Cb 0.57 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.83 -0.20 -2.12 1.24 3.01 0.13 -2.74 117.46 115.94 1iio n PHE 63 Ca 0.08 0.58 -0.36 0.00 1.01 0.00 0.00 57.45 58.76 1iio n PHE 63 Cb 0.04 -0.54 -0.04 0.00 -0.01 0.00 0.00 39.48 38.94 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 -4.05 2.23 -2.61 -1.08 -0.04 -1.26 -2.41 135.00 125.78 1iio n PRO 64 Ca 0.01 -2.69 -0.38 0.00 -0.04 0.00 0.00 63.50 60.40 1iio n PRO 64 Cb 0.12 -3.54 -0.05 0.00 -0.04 0.00 0.00 33.50 30.00 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 7.52 3.52 -0.71 0.54 0.08 -1.11 -4.90 117.98 122.92 1iio s PHE 65 Ca 0.61 1.72 -0.20 0.00 0.12 0.00 0.00 56.93 59.18 1iio s PHE 65 Cb 0.04 -3.09 -0.16 0.00 -0.57 0.00 0.00 43.02 39.24 1iio s PHE 65 CO 0.10 -0.27 1.90 1.63 -0.10 0.00 0.00 175.22 178.48 1iio n LYS 66 N 0.53 1.43 -1.47 0.44 4.76 -1.26 -4.78 118.16 117.81 1iio n LYS 66 Ca 0.02 -1.69 0.18 0.00 -2.87 0.00 0.00 58.31 53.95 1iio n LYS 66 Cb 0.48 -2.80 -0.10 0.00 -1.84 0.00 0.00 35.03 30.78 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 7.08 -8.02 0.05 4.39 7.64 -1.20 -2.62 113.62 120.93 1iio n SER 67 Ca 0.48 1.45 0.22 0.00 1.01 0.00 0.00 58.87 62.02 1iio n SER 67 Cb 0.36 -5.05 0.71 0.00 -1.01 0.00 0.00 64.21 59.23 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 -1.46 2.24 -0.13 -0.43 0.00 -1.81 -1.14 119.26 116.54 1iio h ALA 68 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1iio h ALA 68 Cb 1.40 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1iio h ALA 68 CO 0.08 -0.80 0.07 1.05 0.00 0.00 0.00 179.25 179.65 1iio h GLU 69 N 0.00 0.15 -0.02 0.00 4.11 -1.91 -0.71 114.58 116.20 1iio h GLU 69 Ca 0.24 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.49 1iio h GLU 69 Cb 1.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1iio h GLU 69 CO -0.00 0.10 -0.74 1.05 0.07 0.00 0.00 179.01 179.49 1iio h GLU 70 N 0.15 0.17 -0.28 1.06 4.11 -0.96 -2.82 114.58 116.01 1iio h GLU 70 Ca 0.05 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1iio h GLU 70 Cb -0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1iio h GLU 70 CO -0.03 0.83 0.15 0.28 0.07 0.00 0.00 179.01 180.32 1iio h VAL 71 N 0.11 1.12 -0.57 -1.06 2.07 -1.25 0.34 116.25 117.01 1iio h VAL 71 Ca -0.02 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1iio h VAL 71 Cb 1.30 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1iio h VAL 71 CO 0.11 0.12 0.35 0.00 0.02 0.00 0.00 177.57 178.17 1iio h ALA 72 N 1.03 0.73 -0.62 1.67 0.00 -1.13 0.16 119.26 121.11 1iio h ALA 72 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1iio h ALA 72 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1iio h ALA 72 CO -0.02 0.08 0.28 0.22 0.00 0.00 0.00 179.25 179.81 1iio h ASP 73 N 0.69 0.83 0.06 0.00 3.58 -1.20 -2.25 116.42 118.12 1iio h ASP 73 Ca 0.23 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1iio h ASP 73 Cb 0.01 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1iio h ASP 73 CO -0.09 0.74 -0.03 0.74 -2.88 0.00 0.00 179.24 177.73 1iio h THR 74 N 0.85 1.07 0.16 2.25 2.02 0.37 -1.96 112.91 117.67 1iio h THR 74 Ca 0.21 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1iio h THR 74 Cb 0.15 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1iio h THR 74 CO -0.02 0.11 -0.14 0.40 0.37 0.00 0.00 175.52 176.23 1iio h ILE 75 N -0.26 0.68 -0.68 3.11 2.04 -0.65 -1.62 117.51 120.13 1iio h ILE 75 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1iio h ILE 75 Cb 0.23 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1iio h ILE 75 CO 0.01 0.00 0.42 -0.37 0.00 0.00 0.00 178.15 178.22 1iio h VAL 76 N -0.32 1.09 0.37 1.67 -1.51 -1.44 0.84 116.25 116.94 1iio h VAL 76 Ca -0.00 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 1iio h VAL 76 Cb 0.30 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1iio h VAL 76 CO -0.03 0.15 -0.18 0.78 -1.23 0.00 0.00 177.57 177.06 1iio h ASN 77 N 0.83 -0.43 -0.34 4.19 2.35 -1.18 1.17 115.58 122.17 1iio h ASN 77 Ca 0.27 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 1iio h ASN 77 Cb 0.02 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1iio h ASN 77 CO -0.11 -0.22 -0.36 0.11 -1.65 0.00 0.00 177.43 175.20 1iio h LYS 78 N -0.61 0.85 0.00 0.81 1.57 -1.19 -3.12 116.57 114.88 1iio h LYS 78 Ca -0.05 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.20 1iio h LYS 78 Cb 0.45 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1iio h LYS 78 CO 0.08 1.09 -0.35 0.00 -0.57 0.00 0.00 179.45 179.71 1iio h ALA 79 N 0.74 1.42 0.00 3.86 0.00 0.71 -3.47 119.26 122.51 1iio h ALA 79 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1iio h ALA 79 Cb 0.95 -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 0.00 179.25 180.18 1iio n GLY 80 N -0.52 1.79 0.00 0.00 0.00 0.33 -5.04 105.19 101.75 1iio n GLY 80 Ca -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36