#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio h SER -2 N 0.00 0.43 -4.17 1.61 0.87 -2.08 -3.49 113.55 106.72 1iio h SER -2 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1iio h SER -2 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1iio h SER -2 CO 0.00 0.34 -0.86 1.41 -0.53 0.00 0.00 176.83 177.19 1iio n HIS -1 N -4.81 -4.26 -1.80 2.24 -0.00 -1.26 -4.85 115.22 100.48 1iio n HIS -1 Ca -0.00 2.24 -0.40 0.00 -0.00 0.00 0.00 57.72 59.56 1iio n HIS -1 Cb 0.04 -3.44 0.01 0.00 -0.00 0.00 0.00 29.99 26.60 1iio n HIS -1 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1iio s MET 1 N -3.04 3.89 0.09 -0.41 0.00 -1.26 -4.89 119.30 113.68 1iio s MET 1 Ca 0.00 2.50 -0.31 0.00 0.00 0.00 0.00 55.69 57.88 1iio s MET 1 Cb 0.00 -2.81 -0.10 0.00 0.00 0.00 0.00 34.83 31.92 1iio s MET 1 CO 0.00 -0.69 1.88 0.21 0.00 0.00 0.00 175.02 176.42 1iio s LYS 2 N -2.28 4.14 0.20 3.16 2.20 -1.26 -4.96 119.74 120.94 1iio s LYS 2 Ca 0.57 2.60 -0.19 0.00 -0.36 0.00 0.00 55.97 58.59 1iio s LYS 2 Cb -0.45 -3.81 -0.08 0.00 -1.51 0.00 0.00 37.83 31.98 1iio s LYS 2 CO 0.60 -0.88 0.69 -1.64 -0.36 0.00 0.00 175.35 173.76 1iio s MET 3 N 3.38 4.22 0.54 4.03 -1.94 -1.26 -4.94 119.30 123.33 1iio s MET 3 Ca 0.84 0.82 0.32 0.00 -1.71 0.00 0.00 55.69 55.95 1iio s MET 3 Cb -0.45 -2.91 1.75 0.00 2.01 0.00 0.00 34.83 35.23 1iio s MET 3 CO 0.38 0.42 1.97 0.78 -0.01 0.00 0.00 175.02 178.57 1iio h GLY 4 N 3.51 0.00 1.23 -0.03 0.00 -2.05 -2.55 103.07 103.19 1iio h GLY 4 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1iio h GLY 4 CO 0.65 0.00 0.06 1.55 0.00 0.00 0.00 176.54 178.80 1iio n VAL 5 N -2.71 0.89 -0.31 4.60 3.14 -1.26 -3.09 118.33 119.59 1iio n VAL 5 Ca -0.02 0.28 0.15 0.00 -2.96 0.00 0.00 64.34 61.79 1iio n VAL 5 Cb 0.15 -1.28 0.32 0.00 -1.06 0.00 0.00 33.84 31.98 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 0.17 0.05 1.45 3.64 -1.87 1.10 116.57 121.12 1iio h LYS 6 Ca 0.00 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1iio h LYS 6 Cb 0.12 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1iio h LYS 6 CO 0.00 0.11 -1.06 1.49 -2.27 0.00 0.00 179.45 177.72 1iio h GLU 7 N 0.17 0.36 0.15 1.90 4.81 -1.87 -2.52 114.58 117.59 1iio h GLU 7 Ca 0.59 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1iio h GLU 7 Cb 1.25 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1iio h GLU 7 CO -0.70 1.15 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.22 1iio h ASP 8 N 0.17 -0.17 -0.28 1.04 5.19 0.69 0.17 116.42 123.24 1iio h ASP 8 Ca -0.10 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.12 1iio h ASP 8 Cb 1.73 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 41.27 1iio h ASP 8 CO 0.18 0.06 0.05 0.40 -3.12 0.00 0.00 179.24 176.81 1iio h ILE 9 N -0.40 1.23 -0.49 0.35 2.04 0.17 -1.29 117.51 119.13 1iio h ILE 9 Ca -0.02 -0.78 0.13 0.00 1.00 0.00 0.00 64.86 65.19 1iio h ILE 9 Cb 0.32 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1iio h ILE 9 CO 0.03 0.25 0.35 -0.09 0.00 0.00 0.00 178.15 178.70 1iio h ARG 10 N 0.28 0.04 -0.59 2.37 2.43 -1.40 0.58 114.38 118.08 1iio h ARG 10 Ca 0.09 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1iio h ARG 10 Cb 0.33 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1iio h ARG 10 CO 0.01 0.03 0.15 0.78 -1.51 0.00 0.00 179.97 179.42 1iio h GLY 11 N 0.04 1.02 2.00 2.80 0.00 0.50 -0.13 103.07 109.30 1iio h GLY 11 Ca 0.23 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1iio h GLY 11 CO -0.01 0.59 -0.30 1.46 0.00 0.00 0.00 176.54 178.28 1iio h GLN 12 N 0.86 0.00 -0.16 4.80 4.20 0.56 -2.78 115.11 122.60 1iio h GLN 12 Ca 0.19 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 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 0.30 -0.20 0.82 -0.67 0.00 0.00 178.83 179.09 1iio h ILE 13 N 0.00 1.35 0.09 2.54 2.04 0.16 0.18 117.51 123.87 1iio h ILE 13 Ca -0.00 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.48 1iio h ILE 13 Cb 0.54 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1iio h ILE 13 CO 0.04 0.41 -0.18 0.40 0.00 0.00 0.00 178.15 178.83 1iio h ILE 14 N 0.04 0.59 -0.41 -0.67 1.08 -0.86 0.20 117.51 117.47 1iio h ILE 14 Ca 0.02 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.39 1iio h ILE 14 Cb 0.75 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1iio h ILE 14 CO 0.05 0.00 -0.14 1.23 -0.69 0.00 0.00 178.15 178.59 1iio h GLY 15 N -0.34 0.82 1.95 5.37 0.00 -1.55 -2.09 103.07 107.23 1iio h GLY 15 Ca 0.03 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1iio h GLY 15 CO -0.11 0.59 0.01 0.00 0.00 0.00 0.00 176.54 177.03 1iio h ALA 16 N 1.16 1.92 0.00 3.60 0.00 -0.06 -1.72 119.26 124.16 1iio h ALA 16 Ca 0.11 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 16 Cb 0.63 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1iio h ALA 16 CO 0.04 0.06 -1.14 -0.07 0.00 0.00 0.00 179.25 178.15 1iio h LEU 17 N 0.07 0.00 -9.65 0.00 3.38 -0.19 -2.83 115.31 106.09 1iio h LEU 17 Ca 0.02 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.43 1iio h LEU 17 Cb 0.03 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.86 1iio h LEU 17 CO -0.00 0.95 0.82 0.00 0.09 0.00 0.00 178.44 180.30 1iio n ALA 18 N -2.39 1.99 0.00 1.53 0.00 -0.65 -2.67 120.51 118.33 1iio n ALA 18 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1iio n ALA 18 Cb 0.95 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 2.82 1.91 2.06 0.00 0.00 -1.26 -4.71 105.19 106.01 1iio n GLY 19 Ca 0.13 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.18 -1.00 4.61 0.00 -1.09 -4.93 120.51 115.92 1iio n ALA 20 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 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 -2.15 0.00 -3.62 0.00 8.00 -1.26 -4.83 116.55 112.69 1iio n ASP 21 Ca 0.06 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 1iio n ASP 21 Cb 0.25 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.63 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 -3.05 -0.74 1.24 1.16 -1.26 -4.62 117.46 110.19 1iio n PHE 22 Ca 0.00 -0.61 -0.41 0.00 -1.87 0.00 0.00 57.45 54.56 1iio n PHE 22 Cb 0.00 -1.44 -0.08 0.00 -1.61 0.00 0.00 39.48 36.34 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 -5.47 0.69 0.00 3.97 -0.04 -1.26 -3.52 135.00 129.37 1iio n PRO 23 Ca 0.10 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1iio n PRO 23 Cb 0.58 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 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 6.38 0.00 -0.58 0.52 2.08 -1.26 -2.85 119.36 123.65 1iio n ILE 24 Ca 0.45 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.49 1iio n ILE 24 Cb 0.38 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.22 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 2.03 -1.39 4.38 4.13 -1.23 -3.96 115.26 119.22 1iio n ASN 25 Ca 0.00 -2.37 0.11 0.00 1.68 0.00 0.00 54.58 54.01 1iio n ASN 25 Cb 0.00 -0.79 -0.06 0.00 -1.54 0.00 0.00 39.78 37.39 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 6.42 -7.03 -0.22 6.41 3.41 -0.93 -2.05 113.62 119.62 1iio n SER 26 Ca 0.34 1.39 0.25 0.00 -0.26 0.00 0.00 58.87 60.60 1iio n SER 26 Cb 0.23 -4.63 0.64 0.00 -0.26 0.00 0.00 64.21 60.19 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 -1.01 0.16 0.13 4.33 0.11 -1.90 -0.53 132.00 133.29 1iio h PRO 27 Ca -0.13 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.98 1iio h PRO 27 Cb 1.13 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1iio h PRO 27 CO 0.05 0.11 -0.42 0.93 -0.21 0.00 0.00 178.00 178.46 1iio h GLU 28 N 0.17 -0.64 0.16 1.05 5.08 -1.97 0.17 114.58 118.59 1iio h GLU 28 Ca 0.47 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 1iio h GLU 28 Cb 1.56 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1iio h GLU 28 CO -0.09 -0.43 -0.08 1.49 -1.00 0.00 0.00 179.01 178.91 1iio h GLU 29 N -0.66 -0.21 -0.85 2.33 4.57 -0.73 -2.23 114.58 116.81 1iio h GLU 29 Ca 0.02 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.38 1iio h GLU 29 Cb 0.69 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.22 1iio h GLU 29 CO -0.24 0.01 0.39 1.37 -1.18 0.00 0.00 179.01 179.37 1iio h LEU 30 N -1.02 0.41 -1.41 1.64 8.10 -1.20 1.81 115.31 123.64 1iio h LEU 30 Ca -0.02 0.12 -0.04 0.00 0.11 0.00 0.00 57.88 58.05 1iio h LEU 30 Cb 0.31 0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1iio h LEU 30 CO 0.04 0.12 -0.02 -0.03 -4.11 0.00 0.00 178.44 174.44 1iio h MET 31 N 0.51 0.37 0.00 0.17 4.05 -0.77 -0.55 114.93 118.71 1iio h MET 31 Ca 0.49 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.76 1iio h MET 31 Cb 0.79 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 1iio h MET 31 CO -0.43 0.41 -0.37 0.00 0.23 0.00 0.00 176.91 176.75 1iio h ALA 32 N 1.63 1.22 -0.21 0.39 0.00 0.32 -3.05 119.26 119.57 1iio h ALA 32 Ca 0.08 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1iio h ALA 32 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iio h ALA 32 CO 0.01 0.46 -0.54 0.00 0.00 0.00 0.00 179.25 179.18 1iio h ALA 33 N 1.63 0.66 -0.36 0.00 0.00 0.12 -3.44 119.26 117.87 1iio h ALA 33 Ca -0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 54.91 54.14 1iio h ALA 33 Cb 0.73 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.47 1iio h ALA 33 CO 0.05 0.69 -0.13 1.28 0.00 0.00 0.00 179.25 181.14 1iio n LEU 34 N -3.97 -0.32 -0.33 0.00 4.32 -1.03 -4.73 117.00 110.94 1iio n LEU 34 Ca -0.03 0.41 0.13 0.00 -0.02 0.00 0.00 56.01 56.50 1iio n LEU 34 Cb 0.61 -0.34 0.31 0.00 -1.62 0.00 0.00 43.42 42.37 1iio n LEU 34 CO 0.48 -0.97 1.13 1.55 -1.22 0.00 0.00 177.39 178.36 1iio h PRO 35 N 0.58 0.60 0.00 3.23 0.13 -1.88 -1.70 132.00 132.96 1iio h PRO 35 Ca -0.13 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.90 1iio h PRO 35 Cb 0.52 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1iio h PRO 35 CO 0.22 0.39 -0.32 -2.95 -0.23 0.00 0.00 178.00 175.11 1iio h ASN 36 N 0.61 0.00 0.00 1.44 -0.00 -1.96 -3.48 115.58 112.19 1iio h ASN 36 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.86 1iio h ASN 36 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.27 1iio h ASN 36 CO -0.43 0.32 0.00 0.61 -0.00 0.00 0.00 177.43 177.93 1iio n GLY 37 N 0.20 2.23 2.02 9.14 0.00 -0.64 -4.85 105.19 113.29 1iio n GLY 37 Ca -0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 1.91 -2.41 1.61 -0.04 -1.26 -4.74 135.00 130.06 1iio n PRO 38 Ca 0.00 -1.21 -0.02 0.00 -0.04 0.00 0.00 63.50 62.23 1iio n PRO 38 Cb 0.00 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 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 1.72 -4.68 -4.74 3.54 8.00 -1.26 -4.95 116.55 114.18 1iio n ASP 39 Ca 0.36 1.10 -0.41 0.00 0.71 0.00 0.00 54.79 56.55 1iio n ASP 39 Cb 0.72 -4.37 -0.04 0.00 -0.02 0.00 0.00 41.12 37.41 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 -1.02 3.82 -0.21 -3.53 -1.32 -1.26 -5.01 115.64 107.11 1iio s THR 40 Ca -0.08 1.66 -0.18 0.00 -1.21 0.00 0.00 61.69 61.89 1iio s THR 40 Cb 0.01 -4.06 -0.03 0.00 -1.51 0.00 0.00 72.50 66.90 1iio s THR 40 CO 0.62 0.33 0.48 -0.89 -2.21 0.00 0.00 174.62 172.95 1iio s THR 41 N -0.58 5.13 -0.46 5.08 2.01 -1.26 -4.67 115.64 120.88 1iio s THR 41 Ca 0.47 0.87 -0.03 0.00 0.31 0.00 0.00 61.69 63.32 1iio s THR 41 Cb -0.29 -3.81 0.18 0.00 0.01 0.00 0.00 72.50 68.59 1iio s THR 41 CO 0.36 0.19 2.38 0.00 -0.69 0.00 0.00 174.62 176.85 1iio s LYS 43 N -2.17 3.73 -0.16 0.00 -2.85 -1.26 -4.10 119.74 112.93 1iio s LYS 43 Ca 0.50 1.28 -0.08 0.00 -1.00 0.00 0.00 55.97 56.67 1iio s LYS 43 Cb 0.35 -2.09 0.06 0.00 -2.06 0.00 0.00 37.83 34.10 1iio s LYS 43 CO -0.14 -0.48 0.38 -1.12 0.10 0.00 0.00 175.35 174.09 1iio s SER 44 N -2.25 -0.36 0.00 0.03 0.01 -0.01 -4.97 113.70 106.15 1iio s SER 44 Ca 0.65 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1iio s SER 44 Cb -0.15 0.82 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1iio s SER 44 CO 0.24 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1iio n GLY 45 N 4.56 0.60 0.67 3.44 0.00 -1.26 -2.57 105.19 110.63 1iio n GLY 45 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.54 0.00 -4.76 1.61 8.00 -1.26 -5.12 116.55 116.56 1iio n ASP 46 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1iio n ASP 46 Cb 0.00 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.34 2.76 -0.07 2.53 1.01 -1.06 -5.03 120.40 119.21 1iio s VAL 47 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1iio s VAL 47 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1iio s VAL 47 CO 0.00 0.14 -0.18 -1.61 0.00 0.00 0.00 175.10 173.45 1iio s GLU 48 N -1.08 2.29 -0.04 2.72 2.02 -1.26 -0.83 118.70 122.52 1iio s GLU 48 Ca 0.53 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 1iio s GLU 48 Cb -0.40 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.03 1iio s GLU 48 CO 0.48 0.14 0.08 -0.51 0.02 0.00 0.00 175.26 175.47 1iio s LEU 49 N 0.38 1.22 0.00 1.80 2.01 -1.26 -4.89 118.68 117.95 1iio s LEU 49 Ca -0.14 0.15 -0.15 0.00 0.01 0.00 0.00 54.13 54.01 1iio s LEU 49 Cb -0.16 0.17 0.05 0.00 0.01 0.00 0.00 46.19 46.26 1iio s LEU 49 CO 0.06 -0.10 0.72 2.29 1.01 0.00 0.00 176.35 180.33 1iio n LYS 50 N 3.77 0.63 -0.20 1.70 2.85 -1.26 -1.75 118.16 123.90 1iio n LYS 50 Ca -0.22 -1.34 -0.10 0.00 -1.05 0.00 0.00 58.31 55.61 1iio n LYS 50 Cb 0.54 1.75 0.02 0.00 -0.65 0.00 0.00 35.03 36.68 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 0.76 0.66 0.58 0.00 -1.94 0.15 119.26 121.47 1iio h ALA 51 Ca -0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1iio h ALA 51 Cb 0.93 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1iio h ALA 51 CO 0.30 0.62 -0.32 1.03 0.00 0.00 0.00 179.25 180.88 1iio h SER 52 N 0.90 -0.75 0.23 0.00 0.87 -1.93 0.34 113.55 113.22 1iio h SER 52 Ca 0.15 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1iio h SER 52 Cb 0.59 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1iio h SER 52 CO 0.04 -0.36 -0.11 0.44 -0.53 0.00 0.00 176.83 176.31 1iio h ASP 53 N -1.23 -0.26 0.02 6.23 3.32 -1.97 -3.02 116.42 119.50 1iio h ASP 53 Ca -0.09 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1iio h ASP 53 Cb 0.68 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1iio h ASP 53 CO 0.15 0.16 -0.01 0.00 -1.72 0.00 0.00 179.24 177.82 1iio h ALA 54 N -0.16 -0.03 -0.71 3.45 0.00 -0.87 -3.17 119.26 117.76 1iio h ALA 54 Ca -0.03 -0.30 0.21 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 54 Cb 0.50 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1iio h ALA 54 CO 0.05 -0.20 0.71 0.78 0.00 0.00 0.00 179.25 180.59 1iio h GLY 55 N -0.65 0.00 -0.88 0.00 0.00 0.29 -1.14 103.07 100.69 1iio h GLY 55 Ca -0.00 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.65 1iio h GLY 55 CO 0.00 0.00 0.27 -1.61 0.00 0.00 0.00 176.54 175.20 1iio h GLN 56 N 0.00 0.05 -0.17 4.80 5.75 -1.50 0.96 115.11 125.00 1iio h GLN 56 Ca 0.34 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.76 1iio h GLN 56 Cb 1.75 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.27 1iio h GLN 56 CO -0.00 0.03 -0.22 -0.39 -2.65 0.00 0.00 178.83 175.61 1iio h VAL 57 N 0.05 1.23 -2.70 2.39 -1.51 -1.42 -3.42 116.25 110.86 1iio h VAL 57 Ca 0.69 -1.06 -0.56 0.00 -1.23 0.00 0.00 66.70 64.54 1iio h VAL 57 Cb 1.60 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 32.09 1iio h VAL 57 CO -0.81 0.33 1.11 -0.76 -1.23 0.00 0.00 177.57 176.20 1iio s LEU 58 N -8.63 4.05 0.66 4.19 1.43 0.33 -4.98 118.68 115.72 1iio s LEU 58 Ca -0.05 1.84 -0.14 0.00 -1.03 0.00 0.00 54.13 54.74 1iio s LEU 58 Cb 0.15 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 1iio s LEU 58 CO 0.75 -1.13 1.09 0.42 0.23 0.00 0.00 176.35 177.71 1iio s THR 59 N 4.77 3.48 0.31 5.49 -4.23 -1.26 -4.90 115.64 119.31 1iio s THR 59 Ca 0.72 0.65 0.07 0.00 -1.18 0.00 0.00 61.69 61.95 1iio s THR 59 Cb -0.28 -3.19 0.30 0.00 1.34 0.00 0.00 72.50 70.68 1iio s THR 59 CO 0.28 -0.47 1.76 0.00 -0.54 0.00 0.00 174.62 175.66 1iio h ALA 60 N -0.05 1.72 -0.36 3.99 0.00 -1.96 0.37 119.26 122.99 1iio h ALA 60 Ca -0.46 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.65 1iio h ALA 60 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1iio h ALA 60 CO 0.55 -0.13 0.41 0.22 0.00 0.00 0.00 179.25 180.29 1iio h ASP 61 N 0.69 0.00 0.00 0.00 3.58 -2.02 0.79 116.42 119.46 1iio h ASP 61 Ca 0.61 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1iio h ASP 61 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1iio h ASP 61 CO -0.42 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.41 1iio n ASP 62 N -3.68 0.00 -0.25 2.28 8.00 0.13 -4.21 116.55 118.82 1iio n ASP 62 Ca 0.06 -0.71 -0.07 0.00 0.71 0.00 0.00 54.79 54.78 1iio n ASP 62 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 1iio n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iio n PHE 63 N -0.83 -0.26 -2.22 1.24 3.01 0.27 -2.68 117.46 116.00 1iio n PHE 63 Ca 0.08 0.74 -0.36 0.00 1.01 0.00 0.00 57.45 58.92 1iio n PHE 63 Cb 0.04 -0.53 -0.03 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 -4.35 2.32 -2.62 -1.08 -0.04 -1.26 -2.19 135.00 125.79 1iio n PRO 64 Ca 0.01 -2.78 -0.37 0.00 -0.04 0.00 0.00 63.50 60.31 1iio n PRO 64 Cb 0.15 -3.57 -0.05 0.00 -0.04 0.00 0.00 33.50 29.99 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 7.51 3.48 -0.78 0.54 0.08 -1.09 -4.90 117.98 122.81 1iio s PHE 65 Ca 0.61 1.71 -0.15 0.00 0.12 0.00 0.00 56.93 59.21 1iio s PHE 65 Cb 0.03 -3.08 -0.12 0.00 -0.57 0.00 0.00 43.02 39.28 1iio s PHE 65 CO 0.10 -0.30 1.95 1.63 -0.10 0.00 0.00 175.22 178.51 1iio n LYS 66 N 0.39 1.64 -1.38 0.44 4.76 -1.26 -4.78 118.16 117.97 1iio n LYS 66 Ca 0.03 -1.63 0.17 0.00 -2.87 0.00 0.00 58.31 54.00 1iio n LYS 66 Cb 0.49 -2.70 -0.09 0.00 -1.84 0.00 0.00 35.03 30.89 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 6.18 -7.49 -0.07 4.39 7.64 -1.19 -2.56 113.62 120.52 1iio n SER 67 Ca 0.46 1.39 0.25 0.00 1.01 0.00 0.00 58.87 61.98 1iio n SER 67 Cb 0.29 -4.74 0.72 0.00 -1.01 0.00 0.00 64.21 59.47 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 -1.36 2.55 -0.15 -0.43 0.00 -1.83 -1.08 119.26 116.97 1iio h ALA 68 Ca -0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1iio h ALA 68 Cb 1.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1iio h ALA 68 CO 0.07 -0.94 0.09 1.05 0.00 0.00 0.00 179.25 179.52 1iio h GLU 69 N 0.00 0.20 -0.11 0.00 4.11 -1.91 -0.78 114.58 116.10 1iio h GLU 69 Ca 0.33 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.65 1iio h GLU 69 Cb 1.49 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1iio h GLU 69 CO -0.00 0.18 -0.35 1.05 0.07 0.00 0.00 179.01 179.96 1iio h GLU 70 N 0.16 0.22 -0.75 1.06 4.11 -0.92 -2.63 114.58 115.83 1iio h GLU 70 Ca 0.05 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1iio h GLU 70 Cb 0.03 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1iio h GLU 70 CO -0.01 0.55 0.37 0.28 0.07 0.00 0.00 179.01 180.27 1iio h VAL 71 N 0.19 1.24 0.10 -1.06 2.07 -1.20 0.26 116.25 117.86 1iio h VAL 71 Ca 0.02 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1iio h VAL 71 Cb 0.71 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1iio h VAL 71 CO 0.05 0.28 -0.05 0.00 0.02 0.00 0.00 177.57 177.88 1iio h ALA 72 N 1.19 -0.14 -0.48 1.67 0.00 -0.79 0.21 119.26 120.91 1iio h ALA 72 Ca 0.26 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1iio h ALA 72 Cb 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1iio h ALA 72 CO -0.03 -0.57 -0.17 -0.44 0.00 0.00 0.00 179.25 178.04 1iio h ASP 73 N -0.15 0.94 0.13 0.00 5.19 -1.34 -2.75 116.42 118.44 1iio h ASP 73 Ca -0.01 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1iio h ASP 73 Cb 0.12 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1iio h ASP 73 CO 0.02 1.09 -0.06 0.74 -3.12 0.00 0.00 179.24 177.92 1iio h THR 74 N 0.82 1.01 0.26 0.35 2.02 -0.29 -2.29 112.91 114.79 1iio h THR 74 Ca 0.12 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1iio h THR 74 Cb 0.72 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1iio h THR 74 CO 0.05 0.13 -0.25 0.40 0.37 0.00 0.00 175.52 176.23 1iio h ILE 75 N -0.43 0.46 -1.00 3.11 2.04 -0.62 -1.29 117.51 119.78 1iio h ILE 75 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1iio h ILE 75 Cb 0.35 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1iio h ILE 75 CO 0.03 0.00 0.65 -0.37 0.00 0.00 0.00 178.15 178.46 1iio h VAL 76 N -0.54 1.08 0.24 1.67 -1.51 -1.56 0.87 116.25 116.50 1iio h VAL 76 Ca -0.01 -0.40 -0.01 0.00 -1.23 0.00 0.00 66.70 65.05 1iio h VAL 76 Cb 0.50 -0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.47 1iio h VAL 76 CO -0.05 0.21 -0.12 0.78 -1.23 0.00 0.00 177.57 177.17 1iio h ASN 77 N 1.17 -0.28 -0.12 4.19 -0.26 -0.99 0.97 115.58 120.26 1iio h ASN 77 Ca 0.44 -0.18 -0.22 0.00 -0.56 0.00 0.00 56.30 55.78 1iio h ASN 77 Cb 0.18 0.07 0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1iio h ASN 77 CO -0.18 0.03 -0.77 0.11 -1.06 0.00 0.00 177.43 175.57 1iio h LYS 78 N -0.60 0.77 0.00 0.81 1.57 -1.06 -3.24 116.57 114.82 1iio h LYS 78 Ca -0.03 -0.62 -0.07 0.00 -1.87 0.00 0.00 60.65 58.05 1iio h LYS 78 Cb 0.43 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1iio h LYS 78 CO 0.05 1.23 -0.34 0.00 -0.57 0.00 0.00 179.45 179.83 1iio h ALA 79 N 0.59 1.43 0.00 3.86 0.00 0.70 -3.47 119.26 122.37 1iio h ALA 79 Ca -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1iio h ALA 79 Cb 1.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1iio h ALA 79 CO 0.16 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1iio n GLY 80 N -0.55 0.89 0.00 0.00 0.00 -0.61 -5.04 105.19 99.87 1iio n GLY 80 Ca -0.02 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36