#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 0.58 -2.36 1.61 4.64 -2.04 -3.45 113.55 112.52 1iio h SER -2 Ca 0.00 -0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.46 1iio h SER -2 Cb 0.00 -0.14 -0.30 0.00 -0.31 0.00 0.00 62.40 61.64 1iio h SER -2 CO 0.00 0.42 0.61 -1.38 -0.87 0.00 0.00 176.83 175.61 1iio s HIS -1 N -6.15 -0.29 0.12 4.77 0.00 -1.26 -5.13 115.29 107.35 1iio s HIS -1 Ca -0.13 0.60 0.00 0.00 -3.00 0.00 0.00 55.06 52.53 1iio s HIS -1 Cb 0.12 0.25 0.00 0.00 -4.00 0.00 0.00 32.58 28.95 1iio s HIS -1 CO 0.74 -0.14 0.00 0.00 -1.00 0.00 0.00 174.74 174.34 1iio n MET 1 N 2.99 -2.60 0.15 -0.38 -0.00 -1.26 -4.89 117.12 111.13 1iio n MET 1 Ca -0.16 1.84 -0.12 0.00 -0.00 0.00 0.00 57.70 59.26 1iio n MET 1 Cb 0.57 -2.27 -0.07 0.00 -0.00 0.00 0.00 33.22 31.44 1iio n MET 1 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1iio h LYS 2 N 3.39 -0.40 0.00 3.17 1.63 -1.98 -3.49 116.57 118.89 1iio h LYS 2 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1iio h LYS 2 Cb 0.00 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1iio h LYS 2 CO 0.00 -0.07 0.00 -0.12 -3.45 0.00 0.00 179.45 175.81 1iio n MET 3 N -5.10 0.00 0.00 1.90 0.00 -1.26 -5.05 117.12 107.61 1iio n MET 3 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1iio n MET 3 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.49 1iio n MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1iio n GLY 4 N 0.00 1.49 0.00 -5.12 0.00 -1.26 -4.96 105.19 95.35 1iio n GLY 4 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.32 -0.27 1.61 3.14 -1.26 -3.77 118.33 118.10 1iio n VAL 5 Ca 0.00 0.08 0.06 0.00 -2.96 0.00 0.00 64.34 61.52 1iio n VAL 5 Cb 0.00 -0.71 0.17 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 0.08 0.02 1.45 3.64 -1.92 0.81 116.57 120.64 1iio h LYS 6 Ca 0.00 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1iio h LYS 6 Cb 0.22 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1iio h LYS 6 CO 0.00 0.05 -0.96 0.93 -2.27 0.00 0.00 179.45 177.20 1iio h GLU 7 N 0.08 0.12 0.17 1.90 5.08 -1.94 -2.55 114.58 117.45 1iio h GLU 7 Ca 0.44 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1iio h GLU 7 Cb 0.78 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1iio h GLU 7 CO -0.73 0.98 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.75 1iio h ASP 8 N 0.06 -0.20 -0.21 1.42 5.19 0.14 0.23 116.42 123.05 1iio h ASP 8 Ca -0.04 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.16 1iio h ASP 8 Cb 1.64 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.19 1iio h ASP 8 CO 0.14 0.05 -0.05 0.40 -3.12 0.00 0.00 179.24 176.66 1iio h ILE 9 N -0.45 1.28 -0.44 0.35 2.04 0.04 -1.97 117.51 118.36 1iio h ILE 9 Ca -0.02 -1.03 0.13 0.00 1.00 0.00 0.00 64.86 64.93 1iio h ILE 9 Cb 0.35 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1iio h ILE 9 CO 0.04 0.31 0.33 -0.09 0.00 0.00 0.00 178.15 178.74 1iio h ARG 10 N 0.12 0.00 -0.42 2.37 2.43 -1.45 0.39 114.38 117.83 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 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1iio h ARG 10 CO 0.02 0.00 0.03 0.78 -1.51 0.00 0.00 179.97 179.29 1iio h GLY 11 N 0.00 0.77 1.97 2.80 0.00 0.21 0.75 103.07 109.56 1iio h GLY 11 Ca 0.21 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1iio h GLY 11 CO -0.00 0.50 -0.33 1.46 0.00 0.00 0.00 176.54 178.16 1iio h GLN 12 N 0.56 0.04 -0.22 4.80 4.20 0.08 -2.75 115.11 121.81 1iio h GLN 12 Ca 0.12 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1iio h GLN 12 Cb 0.43 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1iio h GLN 12 CO 0.02 0.37 -0.30 0.82 -0.67 0.00 0.00 178.83 179.06 1iio h ILE 13 N 0.04 1.32 0.21 2.54 2.04 -0.03 0.14 117.51 123.77 1iio h ILE 13 Ca 0.00 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1iio h ILE 13 Cb 0.61 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1iio h ILE 13 CO 0.04 0.47 -0.20 0.40 0.00 0.00 0.00 178.15 178.86 1iio h ILE 14 N 0.29 0.56 -0.42 -0.67 1.08 -0.65 0.22 117.51 117.92 1iio h ILE 14 Ca 0.03 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.42 1iio h ILE 14 Cb 0.88 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1iio h ILE 14 CO 0.07 0.00 -0.06 1.23 -0.69 0.00 0.00 178.15 178.71 1iio h GLY 15 N -0.45 0.77 1.82 5.37 0.00 -1.54 -1.67 103.07 107.37 1iio h GLY 15 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1iio h GLY 15 CO -0.04 0.49 0.09 0.00 0.00 0.00 0.00 176.54 177.08 1iio h ALA 16 N 1.28 1.82 0.00 3.60 0.00 -0.11 -1.71 119.26 124.14 1iio h ALA 16 Ca 0.12 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 16 Cb 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 16 CO 0.03 0.15 -1.10 -0.07 0.00 0.00 0.00 179.25 178.26 1iio h LEU 17 N 0.24 0.00 -9.65 0.00 3.38 0.02 -2.88 115.31 106.42 1iio h LEU 17 Ca 0.06 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.50 1iio h LEU 17 Cb 0.02 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.84 1iio h LEU 17 CO -0.01 0.95 0.95 0.00 0.09 0.00 0.00 178.44 180.42 1iio n ALA 18 N -2.38 2.53 0.00 1.53 0.00 -0.65 -2.78 120.51 118.76 1iio n ALA 18 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1iio n ALA 18 Cb 0.94 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 3.59 1.70 2.10 0.00 0.00 -1.26 -4.74 105.19 106.58 1iio n GLY 19 Ca 0.15 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.24 -1.00 4.61 0.00 -1.12 -4.93 120.51 115.83 1iio n ALA 20 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 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 -2.19 0.00 -3.42 0.00 8.00 -1.26 -4.83 116.55 112.84 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 0.29 0.00 -0.02 0.00 0.00 41.12 41.65 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 -3.44 -0.71 1.24 1.16 -1.26 -4.62 117.46 109.83 1iio n PHE 22 Ca 0.00 -0.72 -0.37 0.00 -1.87 0.00 0.00 57.45 54.49 1iio n PHE 22 Cb 0.00 -1.39 -0.07 0.00 -1.61 0.00 0.00 39.48 36.41 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 -5.69 0.77 0.00 3.97 -0.04 -1.26 -3.57 135.00 129.18 1iio n PRO 23 Ca 0.12 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1iio n PRO 23 Cb 0.59 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 6.11 0.00 -0.58 0.52 2.08 -1.26 -2.77 119.36 123.46 1iio n ILE 24 Ca 0.42 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.48 1iio n ILE 24 Cb 0.34 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.18 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 2.20 -1.34 4.38 4.13 -1.23 -3.90 115.26 119.49 1iio n ASN 25 Ca 0.00 -2.35 0.15 0.00 1.68 0.00 0.00 54.58 54.06 1iio n ASN 25 Cb 0.00 -0.81 -0.08 0.00 -1.54 0.00 0.00 39.78 37.34 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 6.17 -6.93 -0.18 6.41 3.41 -0.72 -2.08 113.62 119.69 1iio n SER 26 Ca 0.34 1.28 0.21 0.00 -0.26 0.00 0.00 58.87 60.43 1iio n SER 26 Cb 0.22 -4.59 0.58 0.00 -0.26 0.00 0.00 64.21 60.15 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 -1.40 0.26 0.13 4.33 0.11 -1.90 0.53 132.00 134.06 1iio h PRO 27 Ca -0.17 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.94 1iio h PRO 27 Cb 1.23 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1iio h PRO 27 CO 0.07 0.17 -0.44 0.93 -0.21 0.00 0.00 178.00 178.53 1iio h GLU 28 N 0.27 -0.65 0.15 1.05 4.39 -1.98 0.17 114.58 117.98 1iio h GLU 28 Ca 0.42 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.15 1iio h GLU 28 Cb 1.21 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1iio h GLU 28 CO -0.11 -0.43 -0.07 1.49 -1.16 0.00 0.00 179.01 178.73 1iio h GLU 29 N -0.67 -0.19 -0.72 2.33 4.57 -0.80 -2.16 114.58 116.94 1iio h GLU 29 Ca 0.02 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.35 1iio h GLU 29 Cb 0.70 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.23 1iio h GLU 29 CO -0.25 -0.01 0.22 1.37 -1.18 0.00 0.00 179.01 179.16 1iio h LEU 30 N -1.03 0.12 -1.46 1.64 8.10 -0.97 1.37 115.31 123.09 1iio h LEU 30 Ca -0.02 0.12 -0.05 0.00 0.11 0.00 0.00 57.88 58.05 1iio h LEU 30 Cb 0.27 0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1iio h LEU 30 CO 0.03 0.03 -0.14 -0.03 -4.11 0.00 0.00 178.44 174.22 1iio h MET 31 N 0.34 0.17 0.00 0.17 4.05 -0.79 -1.18 114.93 117.69 1iio h MET 31 Ca 0.40 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.68 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 -0.44 0.33 -0.45 0.00 0.23 0.00 0.00 176.91 176.58 1iio h ALA 32 N 1.69 1.13 -0.28 0.39 0.00 0.23 -3.05 119.26 119.37 1iio h ALA 32 Ca 0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1iio h ALA 32 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1iio h ALA 32 CO 0.02 0.56 -0.44 0.00 0.00 0.00 0.00 179.25 179.39 1iio h ALA 33 N 1.55 0.71 -0.92 0.00 0.00 0.92 -3.40 119.26 118.13 1iio h ALA 33 Ca -0.00 -0.46 -0.37 0.00 0.00 0.00 0.00 54.91 54.07 1iio h ALA 33 Cb 0.86 -0.11 0.09 0.00 0.00 0.00 0.00 17.79 18.63 1iio h ALA 33 CO 0.06 0.67 -0.52 1.28 0.00 0.00 0.00 179.25 180.74 1iio n LEU 34 N -4.02 -1.53 -0.31 0.00 4.32 -1.06 -4.63 117.00 109.76 1iio n LEU 34 Ca -0.02 0.51 0.15 0.00 -0.02 0.00 0.00 56.01 56.62 1iio n LEU 34 Cb 0.55 -0.53 0.33 0.00 -1.62 0.00 0.00 43.42 42.16 1iio n LEU 34 CO 0.47 -2.35 1.06 1.55 -1.22 0.00 0.00 177.39 176.90 1iio h PRO 35 N 0.26 0.39 0.00 3.23 0.13 -1.90 0.27 132.00 134.37 1iio h PRO 35 Ca -0.21 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1iio h PRO 35 Cb 0.85 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1iio h PRO 35 CO 0.29 0.26 0.00 -2.95 -0.23 0.00 0.00 178.00 175.36 1iio h ASN 36 N 0.40 0.00 0.00 1.44 -0.00 -1.94 -3.48 115.58 112.00 1iio h ASN 36 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.89 1iio h ASN 36 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.46 1iio h ASN 36 CO -0.54 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.50 1iio n GLY 37 N 0.27 2.22 0.07 9.14 0.00 0.93 -4.80 105.19 113.01 1iio n GLY 37 Ca 0.02 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.06 1.61 0.13 -1.78 -3.32 132.00 128.58 1iio h PRO 38 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.30 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 0.72 -0.04 0.16 -0.23 0.00 0.00 178.00 178.61 1iio s ASP 39 N -6.03 -0.09 0.23 1.44 -4.77 -1.24 -3.82 116.67 102.41 1iio s ASP 39 Ca -0.14 -0.04 -0.30 0.00 -3.30 0.00 0.00 52.55 48.77 1iio s ASP 39 Cb -0.02 0.12 -0.09 0.00 -1.09 0.00 0.00 42.92 41.84 1iio s ASP 39 CO 0.50 -0.01 1.21 0.28 0.70 0.00 0.00 175.17 177.85 1iio s THR 40 N 2.00 3.36 -0.18 2.11 -1.32 -1.26 -4.89 115.64 115.46 1iio s THR 40 Ca 0.14 1.22 -0.18 0.00 -1.21 0.00 0.00 61.69 61.66 1iio s THR 40 Cb 0.04 -3.78 -0.03 0.00 -1.51 0.00 0.00 72.50 67.22 1iio s THR 40 CO -0.17 0.23 0.51 -0.89 -2.21 0.00 0.00 174.62 172.10 1iio s THR 41 N -0.48 5.13 -0.81 5.08 2.01 -1.26 -4.68 115.64 120.62 1iio s THR 41 Ca 0.51 0.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.45 1iio s THR 41 Cb -0.34 -3.84 0.37 0.00 0.01 0.00 0.00 72.50 68.70 1iio s THR 41 CO 0.41 0.22 2.01 0.00 -0.69 0.00 0.00 174.62 176.56 1iio s LYS 43 N -4.03 3.52 -0.15 0.00 -2.85 -1.26 -4.29 119.74 110.67 1iio s LYS 43 Ca 0.54 1.19 -0.08 0.00 -1.00 0.00 0.00 55.97 56.62 1iio s LYS 43 Cb 0.45 -2.06 0.06 0.00 -2.06 0.00 0.00 37.83 34.22 1iio s LYS 43 CO -0.35 -0.65 0.36 -1.12 0.10 0.00 0.00 175.35 173.69 1iio s SER 44 N -2.67 -0.36 1.77 0.03 0.01 0.60 -4.97 113.70 108.11 1iio s SER 44 Ca 0.64 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1iio s SER 44 Cb -0.15 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1iio s SER 44 CO 0.33 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1iio n GLY 45 N 4.47 3.28 1.77 3.44 0.00 -1.26 -1.43 105.19 115.46 1iio n GLY 45 Ca -0.21 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 4.54 3.85 -4.19 1.61 5.75 -1.26 -4.89 116.55 121.97 1iio n ASP 46 Ca 0.00 -3.01 -0.22 0.00 -0.01 0.00 0.00 54.79 51.55 1iio n ASP 46 Cb 0.00 -0.71 -0.13 0.00 -1.03 0.00 0.00 41.12 39.24 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1iio s VAL 47 N -2.37 1.34 -0.06 2.12 1.01 -0.52 -5.14 120.40 116.79 1iio s VAL 47 Ca 0.41 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1iio s VAL 47 Cb 0.33 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1iio s VAL 47 CO 0.09 0.07 0.11 -1.61 0.00 0.00 0.00 175.10 173.76 1iio s GLU 48 N -1.20 0.01 -0.01 2.72 2.02 -1.26 -0.29 118.70 120.70 1iio s GLU 48 Ca 0.04 0.39 -0.01 0.00 0.02 0.00 0.00 54.97 55.41 1iio s GLU 48 Cb -0.08 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.86 1iio s GLU 48 CO 0.02 -0.24 0.02 -0.51 0.02 0.00 0.00 175.26 174.57 1iio s LEU 49 N 1.68 1.93 0.03 1.80 2.01 -1.26 -4.88 118.68 119.98 1iio s LEU 49 Ca -0.03 0.02 -0.29 0.00 0.01 0.00 0.00 54.13 53.84 1iio s LEU 49 Cb -0.12 0.08 0.11 0.00 0.01 0.00 0.00 46.19 46.27 1iio s LEU 49 CO -0.05 -0.03 1.21 -1.59 1.01 0.00 0.00 176.35 176.91 1iio s LYS 50 N -0.07 0.59 0.50 1.70 -2.85 -1.26 -2.35 119.74 116.00 1iio s LYS 50 Ca -0.01 -0.33 0.15 0.00 -1.00 0.00 0.00 55.97 54.78 1iio s LYS 50 Cb -0.01 0.20 1.21 0.00 -2.06 0.00 0.00 37.83 37.17 1iio s LYS 50 CO -0.00 -0.27 2.12 0.00 0.10 0.00 0.00 175.35 177.30 1iio h ALA 51 N 2.00 1.98 0.18 0.59 0.00 -1.94 0.21 119.26 122.28 1iio h ALA 51 Ca -0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1iio h ALA 51 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1iio h ALA 51 CO 0.28 0.00 -0.08 1.03 0.00 0.00 0.00 179.25 180.48 1iio h SER 52 N 0.09 -0.20 0.07 0.00 0.87 -1.91 -1.18 113.55 111.30 1iio h SER 52 Ca 0.04 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1iio h SER 52 Cb 0.05 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1iio h SER 52 CO -0.01 0.17 -0.04 0.44 -0.53 0.00 0.00 176.83 176.87 1iio h ASP 53 N -0.86 -0.08 0.07 6.23 5.19 -1.94 -3.25 116.42 121.78 1iio h ASP 53 Ca -0.02 -0.28 -0.11 0.00 -0.62 0.00 0.00 57.03 55.99 1iio h ASP 53 Cb 0.18 0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.73 1iio h ASP 53 CO 0.04 0.24 -0.49 0.00 -3.12 0.00 0.00 179.24 175.91 1iio h ALA 54 N 0.48 -0.03 -0.91 3.45 0.00 -0.80 -3.31 119.26 118.14 1iio h ALA 54 Ca -0.01 -0.60 0.26 0.00 0.00 0.00 0.00 54.91 54.57 1iio h ALA 54 Cb 0.36 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 54 CO 0.02 0.23 0.92 0.78 0.00 0.00 0.00 179.25 181.19 1iio h GLY 55 N -0.53 0.00 -1.00 0.00 0.00 -0.67 -1.72 103.07 99.14 1iio h GLY 55 Ca -0.08 0.00 0.42 0.00 0.00 0.00 0.00 47.33 47.66 1iio h GLY 55 CO 0.09 0.00 0.66 0.06 0.00 0.00 0.00 176.54 177.35 1iio h GLN 56 N 0.00 0.07 -0.01 4.80 3.07 -1.65 0.99 115.11 122.38 1iio h GLN 56 Ca 0.43 -0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.11 1iio h GLN 56 Cb 2.26 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.79 1iio h GLN 56 CO -0.00 0.05 -0.28 -0.39 0.09 0.00 0.00 178.83 178.29 1iio h VAL 57 N 0.07 1.21 -2.66 1.86 -1.51 -1.60 -3.42 116.25 110.20 1iio h VAL 57 Ca 0.83 -0.98 -0.54 0.00 -1.23 0.00 0.00 66.70 64.77 1iio h VAL 57 Cb 2.31 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 32.98 1iio h VAL 57 CO -0.63 0.28 1.04 -0.76 -1.23 0.00 0.00 177.57 176.27 1iio s LEU 58 N -8.41 4.33 0.61 4.19 1.43 0.34 -4.98 118.68 116.19 1iio s LEU 58 Ca -0.03 2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 55.19 1iio s LEU 58 Cb 0.15 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1iio s LEU 58 CO 0.72 -0.89 1.05 0.42 0.23 0.00 0.00 176.35 177.88 1iio s THR 59 N 3.55 3.89 0.28 5.49 -4.23 -1.26 -4.91 115.64 118.45 1iio s THR 59 Ca 0.72 0.83 0.03 0.00 -1.18 0.00 0.00 61.69 62.09 1iio s THR 59 Cb -0.34 -3.40 0.27 0.00 1.34 0.00 0.00 72.50 70.37 1iio s THR 59 CO 0.30 -0.59 1.75 0.00 -0.54 0.00 0.00 174.62 175.54 1iio h ALA 60 N 0.22 1.46 -0.14 3.99 0.00 -1.96 0.45 119.26 123.29 1iio h ALA 60 Ca -0.46 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1iio h ALA 60 Cb 1.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1iio h ALA 60 CO 0.57 -0.14 0.24 -0.44 0.00 0.00 0.00 179.25 179.49 1iio h ASP 61 N 0.62 0.00 0.00 0.00 5.19 -2.02 -0.65 116.42 119.56 1iio h ASP 61 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1iio h ASP 61 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1iio h ASP 61 CO -0.41 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.18 1iio n ASP 62 N -3.44 0.00 -0.37 6.45 8.00 0.16 -4.07 116.55 123.28 1iio n ASP 62 Ca 0.01 -0.50 -0.03 0.00 0.71 0.00 0.00 54.79 54.97 1iio n ASP 62 Cb 0.34 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1iio n ASP 62 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1iio h PHE 63 N 0.00 -1.22 -1.03 1.24 -1.00 -1.28 -2.89 116.94 110.76 1iio h PHE 63 Ca 0.00 0.11 -0.70 0.00 2.81 0.00 0.00 57.97 60.19 1iio h PHE 63 Cb 0.00 0.67 -0.10 0.00 3.61 0.00 0.00 35.95 40.14 1iio h PHE 63 CO 0.00 -0.40 2.16 -0.35 -1.61 0.00 0.00 178.31 178.11 1iio n PRO 64 N -5.43 3.21 -2.62 1.51 -0.05 -1.26 -1.76 135.00 128.60 1iio n PRO 64 Ca 0.08 -3.31 -0.39 0.00 -0.05 0.00 0.00 63.50 59.83 1iio n PRO 64 Cb 0.37 -3.35 -0.05 0.00 -0.05 0.00 0.00 33.50 30.42 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 3.37 3.64 -0.66 0.54 0.08 -1.09 -4.90 117.98 118.95 1iio s PHE 65 Ca 0.50 1.76 -0.18 0.00 0.12 0.00 0.00 56.93 59.13 1iio s PHE 65 Cb 0.04 -3.10 -0.15 0.00 -0.57 0.00 0.00 43.02 39.24 1iio s PHE 65 CO 0.04 -0.17 1.86 1.63 -0.10 0.00 0.00 175.22 178.48 1iio n LYS 66 N 0.87 1.35 -1.35 0.44 4.01 -1.26 -4.77 118.16 117.45 1iio n LYS 66 Ca 0.01 -1.55 0.16 0.00 -0.51 0.00 0.00 58.31 56.41 1iio n LYS 66 Cb 0.47 -2.69 -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 6.70 -7.34 -0.20 4.39 7.64 -1.16 -2.60 113.62 121.05 1iio n SER 67 Ca 0.45 1.38 0.23 0.00 1.01 0.00 0.00 58.87 61.94 1iio n SER 67 Cb 0.31 -4.66 0.62 0.00 -1.01 0.00 0.00 64.21 59.46 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 -1.31 2.51 -0.42 -0.43 0.00 -1.82 -0.95 119.26 116.83 1iio h ALA 68 Ca -0.19 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1iio h ALA 68 Cb 1.29 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1iio h ALA 68 CO 0.07 -0.78 0.25 1.05 0.00 0.00 0.00 179.25 179.85 1iio h GLU 69 N 0.20 0.49 -0.16 0.00 4.11 -1.91 0.66 114.58 117.98 1iio h GLU 69 Ca 0.44 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.74 1iio h GLU 69 Cb 1.41 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1iio h GLU 69 CO -0.10 0.33 -0.34 1.05 0.07 0.00 0.00 179.01 180.02 1iio h GLU 70 N 0.51 0.32 -0.37 1.06 -0.00 -0.92 -2.83 114.58 112.36 1iio h GLU 70 Ca 0.17 -0.14 -0.04 0.00 -0.00 0.00 0.00 59.36 59.35 1iio h GLU 70 Cb 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 1iio h GLU 70 CO -0.07 0.63 0.08 0.28 -0.00 0.00 0.00 179.01 179.93 1iio h VAL 71 N 0.28 1.23 -0.28 -1.06 2.07 -1.08 0.17 116.25 117.58 1iio h VAL 71 Ca 0.03 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1iio h VAL 71 Cb 0.74 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1iio h VAL 71 CO 0.06 0.27 -0.03 0.00 0.02 0.00 0.00 177.57 177.89 1iio h ALA 72 N 0.93 0.22 -0.42 1.67 0.00 -0.68 0.22 119.26 121.20 1iio h ALA 72 Ca 0.12 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1iio h ALA 72 Cb 0.32 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1iio h ALA 72 CO 0.00 -0.44 -0.33 -0.44 0.00 0.00 0.00 179.25 178.05 1iio h ASP 73 N 0.05 1.00 0.22 0.00 5.19 -1.40 -2.74 116.42 118.74 1iio h ASP 73 Ca 0.13 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 1iio h ASP 73 Cb 0.19 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1iio h ASP 73 CO -0.25 1.23 -0.11 0.74 -3.12 0.00 0.00 179.24 177.74 1iio h THR 74 N 0.79 0.83 0.26 0.35 2.02 -0.14 -1.66 112.91 115.37 1iio h THR 74 Ca 0.08 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1iio h THR 74 Cb 0.92 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1iio h THR 74 CO 0.09 0.07 -0.13 0.40 0.37 0.00 0.00 175.52 176.32 1iio h ILE 75 N -0.46 0.74 -0.90 3.11 2.04 -0.65 -1.64 117.51 119.74 1iio h ILE 75 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1iio h ILE 75 Cb 0.35 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1iio h ILE 75 CO 0.05 0.00 0.57 -0.37 0.00 0.00 0.00 178.15 178.40 1iio h VAL 76 N -0.35 1.09 0.13 1.67 -1.51 -1.54 0.85 116.25 116.59 1iio h VAL 76 Ca -0.03 -0.37 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 1iio h VAL 76 Cb 0.27 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.37 1iio h VAL 76 CO 0.05 0.20 -0.06 0.78 -1.23 0.00 0.00 177.57 177.30 1iio h ASN 77 N 1.07 -0.15 -0.22 4.19 -0.26 -1.10 1.10 115.58 120.21 1iio h ASN 77 Ca 0.38 -0.07 -0.15 0.00 -0.56 0.00 0.00 56.30 55.90 1iio h ASN 77 Cb 0.10 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1iio h ASN 77 CO -0.15 -0.03 -0.46 0.11 -1.06 0.00 0.00 177.43 175.84 1iio h LYS 78 N -0.26 0.70 -0.00 0.81 1.57 -1.01 -3.19 116.57 115.19 1iio h LYS 78 Ca -0.02 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 1iio h LYS 78 Cb 0.21 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1iio h LYS 78 CO 0.03 1.08 -0.37 0.00 -0.57 0.00 0.00 179.45 179.62 1iio h ALA 79 N 0.62 1.39 0.00 3.86 0.00 0.74 -3.47 119.26 122.39 1iio h ALA 79 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1iio h ALA 79 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1iio h ALA 79 CO 0.10 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1iio n GLY 80 N -0.47 1.56 0.00 0.00 0.00 0.57 -5.04 105.19 101.81 1iio n GLY 80 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.98 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36