#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 0.65 0.00 1.61 0.02 -2.00 -3.41 113.55 110.42 1iio h SER -2 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1iio h SER -2 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1iio h SER -2 CO 0.00 0.48 0.00 1.41 -1.14 0.00 0.00 176.83 177.58 1iio n HIS -1 N -4.69 0.00 0.00 3.45 -0.00 -1.26 -1.57 115.22 111.15 1iio n HIS -1 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1iio n HIS -1 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 1iio n HIS -1 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1iio n MET 1 N 0.00 0.00 -0.92 -0.41 0.00 -1.26 -1.23 117.12 113.30 1iio n MET 1 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.70 57.52 1iio n MET 1 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 33.22 33.35 1iio n MET 1 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1iio n LYS 2 N 11.96 1.94 -2.00 2.12 4.81 -1.26 -4.99 118.16 130.74 1iio n LYS 2 Ca 0.00 -2.23 0.00 0.00 -0.87 0.00 0.00 58.31 55.21 1iio n LYS 2 Cb 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1iio n LYS 2 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1iio n MET 3 N -0.68 -5.56 0.24 1.64 2.81 -0.37 -4.58 117.12 110.61 1iio n MET 3 Ca 0.44 3.99 0.12 0.00 -1.81 0.00 0.00 57.70 60.43 1iio n MET 3 Cb 1.32 -4.36 0.58 0.00 -0.71 0.00 0.00 33.22 30.04 1iio n MET 3 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1iio h GLY 4 N 3.55 0.00 1.55 3.03 0.00 -1.46 -2.96 103.07 106.78 1iio h GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iio h GLY 4 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.09 1iio n VAL 5 N -3.43 1.09 -0.30 4.60 3.14 -1.26 -3.30 118.33 118.87 1iio n VAL 5 Ca -0.01 0.27 0.11 0.00 -2.96 0.00 0.00 64.34 61.76 1iio n VAL 5 Cb 0.35 -1.27 0.24 0.00 -1.06 0.00 0.00 33.84 32.11 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 0.04 1.45 3.64 -1.77 0.97 116.57 121.01 1iio h LYS 6 Ca 0.00 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.14 1iio h LYS 6 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1iio h LYS 6 CO 0.00 0.07 -1.01 0.93 -2.27 0.00 0.00 179.45 177.17 1iio h GLU 7 N 0.11 0.27 0.16 1.90 3.07 -1.87 -2.53 114.58 115.69 1iio h GLU 7 Ca 0.52 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1iio h GLU 7 Cb 1.01 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1iio h GLU 7 CO -0.73 1.08 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.44 1iio h ASP 8 N 0.13 -0.18 -0.19 1.42 5.19 0.44 0.19 116.42 123.42 1iio h ASP 8 Ca -0.08 -0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.15 1iio h ASP 8 Cb 1.68 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 1iio h ASP 8 CO 0.16 0.04 -0.02 0.40 -3.12 0.00 0.00 179.24 176.71 1iio h ILE 9 N -0.40 1.27 -0.50 0.35 2.04 0.09 -1.96 117.51 118.40 1iio h ILE 9 Ca -0.02 -0.92 0.14 0.00 1.00 0.00 0.00 64.86 65.06 1iio h ILE 9 Cb 0.32 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1iio h ILE 9 CO 0.04 0.28 0.36 -0.09 0.00 0.00 0.00 178.15 178.73 1iio h ARG 10 N 0.08 0.01 -0.46 2.37 2.43 -1.44 0.42 114.38 117.80 1iio h ARG 10 Ca 0.05 -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 0.01 0.03 0.78 -1.51 0.00 0.00 179.97 179.30 1iio h GLY 11 N 0.02 0.85 2.00 2.80 0.00 0.12 0.65 103.07 109.51 1iio h GLY 11 Ca 0.24 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1iio h GLY 11 CO -0.01 0.56 -0.44 1.46 0.00 0.00 0.00 176.54 178.10 1iio h GLN 12 N 0.65 0.00 -0.16 4.80 4.20 0.13 -2.79 115.11 121.94 1iio h GLN 12 Ca 0.13 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1iio h GLN 12 Cb 0.45 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1iio h GLN 12 CO 0.02 0.45 -0.29 0.82 -0.67 0.00 0.00 178.83 179.15 1iio h ILE 13 N 0.00 1.36 0.16 2.54 2.04 -0.02 0.15 117.51 123.74 1iio h ILE 13 Ca -0.00 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.32 1iio h ILE 13 Cb 0.79 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1iio h ILE 13 CO 0.06 0.46 -0.18 0.40 0.00 0.00 0.00 178.15 178.89 1iio h ILE 14 N 0.10 0.61 -0.40 -0.67 1.08 -0.79 0.21 117.51 117.65 1iio h ILE 14 Ca 0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 1iio h ILE 14 Cb 0.88 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1iio h ILE 14 CO 0.07 0.00 -0.06 1.23 -0.69 0.00 0.00 178.15 178.70 1iio h GLY 15 N -0.38 0.73 1.83 5.37 0.00 -1.55 -1.78 103.07 107.29 1iio h GLY 15 Ca 0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1iio h GLY 15 CO -0.05 0.46 0.06 0.00 0.00 0.00 0.00 176.54 177.01 1iio h ALA 16 N 1.31 1.81 0.00 3.60 0.00 -0.03 -1.68 119.26 124.27 1iio h ALA 16 Ca 0.12 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1iio h ALA 16 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 16 CO 0.02 0.16 -1.05 -0.07 0.00 0.00 0.00 179.25 178.31 1iio h LEU 17 N 0.22 0.00 -9.55 0.00 3.38 -0.00 -3.00 115.31 106.36 1iio h LEU 17 Ca 0.06 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.48 1iio h LEU 17 Cb 0.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.85 1iio h LEU 17 CO -0.01 0.95 0.97 0.00 0.09 0.00 0.00 178.44 180.44 1iio n ALA 18 N -2.37 2.10 0.00 1.53 0.00 -0.63 -2.73 120.51 118.41 1iio n ALA 18 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1iio n ALA 18 Cb 0.93 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 3.88 2.20 1.62 0.00 0.00 -1.26 -4.76 105.19 106.86 1iio n GLY 19 Ca 0.17 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.80 -1.00 4.61 0.00 -1.10 -4.95 120.51 116.27 1iio n ALA 20 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1iio n ALA 20 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.27 0.00 -3.80 0.00 9.92 -1.26 -4.84 116.55 114.30 1iio n ASP 21 Ca 0.05 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.05 1iio n ASP 21 Cb 0.20 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 40.89 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 -2.35 -0.58 1.24 1.16 -1.26 -4.52 117.46 111.16 1iio n PHE 22 Ca 0.00 -0.20 -0.41 0.00 -1.87 0.00 0.00 57.45 54.97 1iio n PHE 22 Cb 0.00 -1.46 -0.10 0.00 -1.61 0.00 0.00 39.48 36.31 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 -3.30 0.28 0.00 3.97 -0.04 -1.26 -3.52 135.00 131.13 1iio n PRO 23 Ca 0.06 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1iio n PRO 23 Cb 0.51 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 6.66 0.00 -0.56 0.52 2.08 -1.26 -2.78 119.36 124.01 1iio n ILE 24 Ca 0.44 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.51 1iio n ILE 24 Cb 0.38 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.24 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 2.26 -1.39 4.38 5.03 -1.23 -3.94 115.26 120.37 1iio n ASN 25 Ca 0.00 -2.33 0.16 0.00 0.87 0.00 0.00 54.58 53.28 1iio n ASN 25 Cb 0.00 -0.82 -0.09 0.00 -1.02 0.00 0.00 39.78 37.85 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 5.98 -7.29 -0.20 6.41 3.41 -0.93 -2.15 113.62 118.85 1iio n SER 26 Ca 0.33 1.35 0.19 0.00 -0.26 0.00 0.00 58.87 60.48 1iio n SER 26 Cb 0.20 -4.76 0.54 0.00 -0.26 0.00 0.00 64.21 59.93 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 -1.42 0.34 0.09 4.33 0.11 -1.90 0.21 132.00 133.75 1iio h PRO 27 Ca -0.19 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.93 1iio h PRO 27 Cb 1.29 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1iio h PRO 27 CO 0.07 0.22 -0.42 0.93 -0.21 0.00 0.00 178.00 178.60 1iio h GLU 28 N 0.35 -0.61 0.16 1.05 4.39 -1.98 0.18 114.58 118.11 1iio h GLU 28 Ca 0.43 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 1iio h GLU 28 Cb 1.13 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1iio h GLU 28 CO -0.14 -0.41 -0.07 1.49 -1.16 0.00 0.00 179.01 178.72 1iio h GLU 29 N -0.63 -0.20 -0.70 2.33 4.57 -0.86 -2.10 114.58 116.98 1iio h GLU 29 Ca 0.03 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1iio h GLU 29 Cb 0.67 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.21 1iio h GLU 29 CO -0.26 0.00 0.19 1.37 -1.18 0.00 0.00 179.01 179.13 1iio h LEU 30 N -1.03 0.06 -1.46 1.64 8.10 -1.04 1.34 115.31 122.93 1iio h LEU 30 Ca -0.02 0.13 -0.05 0.00 0.11 0.00 0.00 57.88 58.05 1iio h LEU 30 Cb 0.30 0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.67 1iio h LEU 30 CO 0.04 0.00 -0.15 -0.03 -4.11 0.00 0.00 178.44 174.18 1iio h MET 31 N 0.30 0.16 -0.03 0.17 4.05 -0.77 -1.18 114.93 117.63 1iio h MET 31 Ca 0.39 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.67 1iio h MET 31 Cb 0.63 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1iio h MET 31 CO -0.46 0.32 -0.45 0.00 0.23 0.00 0.00 176.91 176.55 1iio h ALA 32 N 1.69 1.21 -0.33 0.39 0.00 0.23 -3.04 119.26 119.41 1iio h ALA 32 Ca 0.03 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1iio h ALA 32 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1iio h ALA 32 CO 0.02 0.58 -0.36 0.00 0.00 0.00 0.00 179.25 179.49 1iio h ALA 33 N 1.50 0.75 -0.66 0.00 0.00 0.87 -3.40 119.26 118.31 1iio h ALA 33 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 54.91 54.05 1iio h ALA 33 Cb 0.81 -0.12 0.07 0.00 0.00 0.00 0.00 17.79 18.55 1iio h ALA 33 CO 0.06 0.66 -0.35 1.28 0.00 0.00 0.00 179.25 180.90 1iio n LEU 34 N -4.05 -0.85 -0.34 0.00 4.32 -1.04 -4.63 117.00 110.40 1iio n LEU 34 Ca -0.01 0.71 0.31 0.00 -0.02 0.00 0.00 56.01 56.99 1iio n LEU 34 Cb 0.51 -0.60 0.64 0.00 -1.62 0.00 0.00 43.42 42.35 1iio n LEU 34 CO 0.46 -1.94 1.27 1.55 -1.22 0.00 0.00 177.39 177.51 1iio h PRO 35 N 0.62 0.17 0.00 3.23 0.13 -1.90 0.77 132.00 135.01 1iio h PRO 35 Ca -0.18 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.87 1iio h PRO 35 Cb 0.92 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1iio h PRO 35 CO 0.36 0.11 -0.35 -0.97 -0.23 0.00 0.00 178.00 176.92 1iio h ASN 36 N 0.17 0.00 0.00 1.44 -1.24 -1.93 -3.48 115.58 110.54 1iio h ASN 36 Ca 0.61 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.62 1iio h ASN 36 Cb 2.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.07 1iio h ASN 36 CO -0.17 0.35 0.00 0.61 -1.29 0.00 0.00 177.43 176.93 1iio n GLY 37 N 0.23 2.02 0.11 1.57 0.00 0.27 -4.74 105.19 104.64 1iio n GLY 37 Ca -0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 0.26 0.00 1.61 0.13 -1.79 -3.32 132.00 128.89 1iio h PRO 38 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1iio h PRO 38 Cb 0.00 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1iio h PRO 38 CO 0.00 1.21 0.00 -0.40 -0.23 0.00 0.00 178.00 178.58 1iio n ASP 39 N -4.18 0.00 -4.67 1.44 5.75 -1.24 -4.07 116.55 109.59 1iio n ASP 39 Ca -0.14 0.00 -0.45 0.00 -0.01 0.00 0.00 54.79 54.19 1iio n ASP 39 Cb 0.78 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.85 1iio n ASP 39 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1iio n THR 40 N 0.00 1.04 -3.22 2.12 5.66 -1.26 -4.87 114.28 113.75 1iio n THR 40 Ca 0.00 -0.26 -0.41 0.00 -3.05 0.00 0.00 64.05 60.33 1iio n THR 40 Cb 0.00 -1.45 -0.08 0.00 -1.55 0.00 0.00 70.33 67.26 1iio n THR 40 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1iio s THR 41 N -0.15 5.01 -0.50 1.09 2.01 -1.26 -4.72 115.64 117.11 1iio s THR 41 Ca 0.67 0.45 -0.03 0.00 0.31 0.00 0.00 61.69 63.09 1iio s THR 41 Cb -0.65 -3.96 0.18 0.00 0.01 0.00 0.00 72.50 68.08 1iio s THR 41 CO 0.51 -0.18 2.42 0.00 -0.69 0.00 0.00 174.62 176.67 1iio s LYS 43 N -2.28 4.33 -0.27 0.00 -2.85 -1.26 -4.37 119.74 113.03 1iio s LYS 43 Ca 0.52 1.66 -0.12 0.00 -1.00 0.00 0.00 55.97 57.03 1iio s LYS 43 Cb 0.37 -3.60 -0.05 0.00 -2.06 0.00 0.00 37.83 32.50 1iio s LYS 43 CO -0.18 -0.50 0.23 -1.12 0.10 0.00 0.00 175.35 173.89 1iio s SER 44 N 1.56 6.09 1.88 0.03 0.01 -0.66 -4.93 113.70 117.68 1iio s SER 44 Ca 0.55 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1iio s SER 44 Cb -0.24 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1iio s SER 44 CO 0.20 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1iio n GLY 45 N 4.89 3.38 0.13 3.44 0.00 -1.26 -2.45 105.19 113.31 1iio n GLY 45 Ca -0.13 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.61 -3.92 1.61 3.04 -2.04 -3.46 116.42 112.27 1iio h ASP 46 Ca 0.00 -0.65 -0.52 0.00 -3.24 0.00 0.00 57.03 52.62 1iio h ASP 46 Cb 0.00 -0.20 0.07 0.00 -1.04 0.00 0.00 39.33 38.16 1iio h ASP 46 CO 0.00 1.51 0.60 -0.69 -2.04 0.00 0.00 179.24 178.62 1iio s VAL 47 N -2.65 2.77 -0.07 4.15 1.01 -1.03 -5.04 120.40 119.54 1iio s VAL 47 Ca -0.06 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1iio s VAL 47 Cb 0.06 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1iio s VAL 47 CO 0.91 0.13 -0.11 -1.61 0.00 0.00 0.00 175.10 174.42 1iio s GLU 48 N -2.05 1.56 -0.06 2.72 2.02 -1.26 -1.65 118.70 119.98 1iio s GLU 48 Ca 0.53 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.14 1iio s GLU 48 Cb -0.37 -1.35 0.03 0.00 0.10 0.00 0.00 34.13 32.54 1iio s GLU 48 CO 0.48 -0.02 0.13 -0.51 0.02 0.00 0.00 175.26 175.37 1iio s LEU 49 N 0.83 0.84 0.20 1.80 2.01 -1.26 -4.92 118.68 118.18 1iio s LEU 49 Ca -0.12 0.27 -0.23 0.00 0.01 0.00 0.00 54.13 54.07 1iio s LEU 49 Cb -0.15 0.34 0.06 0.00 0.01 0.00 0.00 46.19 46.44 1iio s LEU 49 CO 0.02 -0.13 0.91 -1.59 1.01 0.00 0.00 176.35 176.57 1iio s LYS 50 N 1.03 1.42 0.36 1.70 -2.85 -1.26 -3.04 119.74 117.10 1iio s LYS 50 Ca -0.08 -0.82 0.04 0.00 -1.00 0.00 0.00 55.97 54.11 1iio s LYS 50 Cb -0.10 0.46 0.70 0.00 -2.06 0.00 0.00 37.83 36.82 1iio s LYS 50 CO -0.05 -0.65 2.01 0.00 0.10 0.00 0.00 175.35 176.75 1iio h ALA 51 N 2.00 1.61 0.58 0.59 0.00 -1.93 0.23 119.26 122.34 1iio h ALA 51 Ca -0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1iio h ALA 51 Cb 1.23 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1iio h ALA 51 CO 0.28 0.34 -0.28 1.03 0.00 0.00 0.00 179.25 180.62 1iio h SER 52 N 0.79 -0.66 0.18 0.00 0.87 -1.92 0.19 113.55 112.99 1iio h SER 52 Ca 0.24 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1iio h SER 52 Cb -0.00 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1iio h SER 52 CO -0.06 -0.29 -0.08 0.44 -0.53 0.00 0.00 176.83 176.31 1iio h ASP 53 N -1.10 -0.20 0.04 6.23 5.19 -1.95 -3.30 116.42 121.34 1iio h ASP 53 Ca -0.08 -0.33 -0.12 0.00 -0.62 0.00 0.00 57.03 55.88 1iio h ASP 53 Cb 0.65 0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.22 1iio h ASP 53 CO 0.13 0.32 -0.49 0.00 -3.12 0.00 0.00 179.24 176.09 1iio h ALA 54 N -0.25 0.00 -0.38 3.45 0.00 -0.72 -3.29 119.26 118.06 1iio h ALA 54 Ca -0.02 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.43 1iio h ALA 54 Cb 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1iio h ALA 54 CO 0.04 0.24 0.65 0.78 0.00 0.00 0.00 179.25 180.95 1iio h GLY 55 N -0.41 0.00 -1.31 0.00 0.00 -0.19 -1.98 103.07 99.19 1iio h GLY 55 Ca -0.07 0.00 0.47 0.00 0.00 0.00 0.00 47.33 47.73 1iio h GLY 55 CO 0.09 0.00 1.08 0.06 0.00 0.00 0.00 176.54 177.77 1iio h GLN 56 N 0.00 0.04 -1.04 4.80 3.07 -1.63 0.26 115.11 120.61 1iio h GLN 56 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.92 1iio h GLN 56 Cb 1.47 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.02 1iio h GLN 56 CO -0.00 0.03 0.00 1.33 0.09 0.00 0.00 178.83 180.28 1iio n VAL 57 N -4.30 0.70 -3.93 1.86 0.24 -0.74 -4.69 118.33 107.47 1iio n VAL 57 Ca 0.38 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.39 1iio n VAL 57 Cb 1.62 -0.84 -0.16 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.85 0.71 1.34 1.43 0.91 -5.07 118.68 119.86 1iio s LEU 58 Ca 0.00 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 1iio s LEU 58 Cb 0.00 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.21 1iio s LEU 58 CO 0.00 -0.17 1.13 0.42 0.23 0.00 0.00 176.35 177.96 1iio s THR 59 N 1.54 2.97 0.29 5.49 -4.23 -1.26 -4.88 115.64 115.57 1iio s THR 59 Ca 0.00 0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.98 1iio s THR 59 Cb -0.16 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.05 1iio s THR 59 CO -0.08 -0.30 1.79 0.00 -0.54 0.00 0.00 174.62 175.48 1iio h ALA 60 N -0.34 1.58 -0.18 3.99 0.00 -2.00 0.42 119.26 122.74 1iio h ALA 60 Ca -0.46 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1iio h ALA 60 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1iio h ALA 60 CO 0.52 0.00 0.29 -0.44 0.00 0.00 0.00 179.25 179.63 1iio h ASP 61 N 0.79 0.00 0.00 0.00 5.19 -2.04 -0.12 116.42 120.24 1iio h ASP 61 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1iio h ASP 61 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1iio h ASP 61 CO -0.36 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.23 1iio n ASP 62 N -3.44 0.00 -0.19 6.45 8.00 0.15 -4.20 116.55 123.32 1iio n ASP 62 Ca 0.02 -0.56 -0.05 0.00 0.71 0.00 0.00 54.79 54.91 1iio n ASP 62 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.85 -0.20 -1.77 1.24 3.01 -0.06 -2.83 117.46 116.01 1iio n PHE 63 Ca 0.07 0.58 -0.35 0.00 1.01 0.00 0.00 57.45 58.76 1iio n PHE 63 Cb 0.03 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 38.92 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 -4.04 1.67 -2.61 -1.08 -0.04 -1.26 -2.20 135.00 125.44 1iio n PRO 64 Ca 0.01 -2.30 -0.40 0.00 -0.04 0.00 0.00 63.50 60.77 1iio n PRO 64 Cb 0.12 -3.42 -0.05 0.00 -0.04 0.00 0.00 33.50 30.10 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 8.43 3.75 -0.45 0.54 0.08 -1.13 -4.89 117.98 124.31 1iio s PHE 65 Ca 0.63 1.80 -0.20 0.00 0.12 0.00 0.00 56.93 59.27 1iio s PHE 65 Cb 0.05 -3.13 -0.20 0.00 -0.57 0.00 0.00 43.02 39.17 1iio s PHE 65 CO 0.13 -0.09 1.74 1.17 -0.10 0.00 0.00 175.22 178.06 1iio n LYS 66 N 1.23 0.92 -1.48 0.44 3.00 -1.26 -4.75 118.16 116.26 1iio n LYS 66 Ca -0.01 -1.37 0.18 0.00 -0.00 0.00 0.00 58.31 57.11 1iio n LYS 66 Cb 0.46 -2.62 -0.10 0.00 0.00 0.00 0.00 35.03 32.77 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 7.29 -8.01 -0.14 3.14 7.64 -1.18 -2.50 113.62 119.85 1iio n SER 67 Ca 0.43 1.51 0.27 0.00 1.01 0.00 0.00 58.87 62.09 1iio n SER 67 Cb 0.33 -5.09 0.72 0.00 -1.01 0.00 0.00 64.21 59.16 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 -1.44 2.75 -0.28 -0.43 0.00 -1.81 -0.89 119.26 117.16 1iio h ALA 68 Ca -0.21 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1iio h ALA 68 Cb 1.41 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1iio h ALA 68 CO 0.08 -1.02 0.15 1.05 0.00 0.00 0.00 179.25 179.51 1iio h GLU 69 N 0.00 0.30 -0.27 0.00 4.11 -1.91 0.10 114.58 116.91 1iio h GLU 69 Ca 0.39 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.68 1iio h GLU 69 Cb 1.58 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1iio h GLU 69 CO -0.00 0.20 -0.32 1.05 0.07 0.00 0.00 179.01 180.00 1iio h GLU 70 N 0.31 0.57 -0.50 1.06 4.11 -0.86 -2.83 114.58 116.44 1iio h GLU 70 Ca 0.12 -0.26 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1iio h GLU 70 Cb 0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1iio h GLU 70 CO -0.07 0.82 0.26 0.28 0.07 0.00 0.00 179.01 180.37 1iio h VAL 71 N 0.49 1.18 -0.26 -1.06 2.07 -1.18 0.30 116.25 117.79 1iio h VAL 71 Ca 0.06 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1iio h VAL 71 Cb 0.80 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1iio h VAL 71 CO 0.07 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.83 1iio h ALA 72 N 1.10 0.21 -0.31 1.67 0.00 -0.63 0.15 119.26 121.46 1iio h ALA 72 Ca 0.17 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1iio h ALA 72 Cb 0.08 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1iio h ALA 72 CO -0.03 -0.43 -0.32 -0.44 0.00 0.00 0.00 179.25 178.03 1iio h ASP 73 N 0.05 0.82 0.06 0.00 3.32 -1.30 -2.72 116.42 116.66 1iio h ASP 73 Ca 0.12 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1iio h ASP 73 Cb 0.17 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1iio h ASP 73 CO -0.23 1.13 -0.06 0.74 -1.72 0.00 0.00 179.24 179.11 1iio h THR 74 N 0.54 0.87 0.29 0.35 2.02 -0.01 0.11 112.91 117.07 1iio h THR 74 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1iio h THR 74 Cb 0.90 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1iio h THR 74 CO 0.08 0.00 -0.14 0.40 0.37 0.00 0.00 175.52 176.23 1iio h ILE 75 N -0.13 0.73 -0.95 3.11 2.04 -0.77 -1.94 117.51 119.61 1iio h ILE 75 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1iio h ILE 75 Cb 0.12 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1iio h ILE 75 CO -0.01 0.02 0.61 -0.37 0.00 0.00 0.00 178.15 178.40 1iio h VAL 76 N -0.44 1.25 0.42 1.67 -1.51 -1.45 0.53 116.25 116.72 1iio h VAL 76 Ca -0.04 -0.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.92 1iio h VAL 76 Cb 0.33 -0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.37 1iio h VAL 76 CO 0.07 0.25 -0.20 0.78 -1.23 0.00 0.00 177.57 177.23 1iio h ASN 77 N 1.30 -0.48 -0.23 4.19 -0.26 -0.64 0.94 115.58 120.40 1iio h ASN 77 Ca 0.35 0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.92 1iio h ASN 77 Cb -0.11 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1iio h ASN 77 CO -0.07 -0.34 -0.54 0.11 -1.06 0.00 0.00 177.43 175.53 1iio h LYS 78 N -0.57 0.77 0.00 0.81 1.57 -1.23 -3.20 116.57 114.72 1iio h LYS 78 Ca -0.06 -0.52 -0.07 0.00 -1.87 0.00 0.00 60.65 58.12 1iio h LYS 78 Cb 0.44 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1iio h LYS 78 CO 0.10 1.15 -0.35 0.00 -0.57 0.00 0.00 179.45 179.77 1iio h ALA 79 N 0.62 1.41 0.00 3.86 0.00 0.08 -3.47 119.26 121.76 1iio h ALA 79 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1iio h ALA 79 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1iio h ALA 79 CO 0.12 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1iio n GLY 80 N -0.51 1.60 0.00 0.00 0.00 0.44 -5.04 105.19 101.68 1iio n GLY 80 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36