#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio s SER -2 N 0.00 6.42 0.35 1.61 0.01 -1.26 -4.89 113.70 115.93 1iio s SER -2 Ca 0.00 2.87 0.04 0.00 1.31 0.00 0.00 55.95 60.18 1iio s SER -2 Cb 0.00 -2.62 0.64 0.00 0.21 0.00 0.00 66.02 64.24 1iio s SER -2 CO 0.00 -0.90 1.92 -0.74 0.41 0.00 0.00 173.24 173.93 1iio h HIS -1 N 5.51 0.59 0.00 2.43 -0.00 -2.07 -3.45 115.15 118.15 1iio h HIS -1 Ca -0.46 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1iio h HIS -1 Cb 1.21 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1iio h HIS -1 CO 0.61 0.51 0.00 -1.33 -0.00 0.00 0.00 177.93 177.71 1iio n MET 1 N -4.33 0.00 -1.23 5.26 2.00 -1.26 -4.88 117.12 112.67 1iio n MET 1 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.43 1iio n MET 1 Cb 0.19 0.00 0.14 0.00 0.00 0.00 0.00 33.22 33.55 1iio n MET 1 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1iio s LYS 2 N 0.00 1.22 -0.27 0.03 1.02 -1.26 -4.64 119.74 115.83 1iio s LYS 2 Ca 0.00 0.76 0.09 0.00 0.02 0.00 0.00 55.97 56.83 1iio s LYS 2 Cb 0.00 -1.81 0.29 0.00 -0.52 0.00 0.00 37.83 35.79 1iio s LYS 2 CO 0.00 -2.25 1.24 -0.12 -0.92 0.00 0.00 175.35 173.30 1iio n MET 3 N -3.88 0.94 0.00 1.68 1.56 -1.26 -5.00 117.12 111.15 1iio n MET 3 Ca 0.07 -0.98 0.00 0.00 -0.27 0.00 0.00 57.70 56.51 1iio n MET 3 Cb 0.56 0.23 0.00 0.00 2.15 0.00 0.00 33.22 36.15 1iio n MET 3 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1iio n GLY 4 N -0.98 1.01 0.00 -5.12 0.00 -1.26 -4.65 105.19 94.19 1iio n GLY 4 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 1.03 -0.30 1.61 3.14 -1.26 -3.25 118.33 119.31 1iio n VAL 5 Ca 0.00 0.26 0.12 0.00 -2.96 0.00 0.00 64.34 61.76 1iio n VAL 5 Cb 0.00 -1.18 0.27 0.00 -1.06 0.00 0.00 33.84 31.87 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 0.15 0.03 1.45 3.11 -1.97 0.99 116.57 120.34 1iio h LYS 6 Ca 0.00 -0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.60 1iio h LYS 6 Cb 0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1iio h LYS 6 CO 0.00 0.10 -1.00 1.49 -2.81 0.00 0.00 179.45 177.23 1iio h GLU 7 N 0.16 0.29 0.15 1.90 4.81 -1.97 -2.68 114.58 117.24 1iio h GLU 7 Ca 0.54 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1iio h GLU 7 Cb 1.08 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1iio h GLU 7 CO -0.70 1.08 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.16 1iio h ASP 8 N 0.14 -0.17 0.01 1.04 5.19 0.50 0.17 116.42 123.31 1iio h ASP 8 Ca -0.08 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1iio h ASP 8 Cb 1.66 0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.22 1iio h ASP 8 CO 0.16 0.08 -0.00 0.40 -3.12 0.00 0.00 179.24 176.76 1iio h ILE 9 N -0.42 1.22 -0.31 0.35 2.04 0.12 -2.20 117.51 118.31 1iio h ILE 9 Ca -0.02 -0.69 0.09 0.00 1.00 0.00 0.00 64.86 65.24 1iio h ILE 9 Cb 0.33 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1iio h ILE 9 CO 0.03 0.18 0.24 -0.09 0.00 0.00 0.00 178.15 178.51 1iio h ARG 10 N -0.31 0.00 -0.67 2.37 2.43 -1.51 0.44 114.38 117.13 1iio h ARG 10 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1iio h ARG 10 Cb 0.30 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1iio h ARG 10 CO 0.00 0.00 0.27 0.78 -1.51 0.00 0.00 179.97 179.51 1iio h GLY 11 N 0.00 1.07 1.83 2.80 0.00 -0.06 0.24 103.07 108.94 1iio h GLY 11 Ca 0.15 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1iio h GLY 11 CO -0.00 0.54 -0.46 1.46 0.00 0.00 0.00 176.54 178.08 1iio h GLN 12 N 0.94 0.19 -0.10 4.80 4.20 0.21 -2.83 115.11 122.52 1iio h GLN 12 Ca 0.22 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1iio h GLN 12 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1iio h GLN 12 CO -0.02 0.62 -0.18 0.82 -0.67 0.00 0.00 178.83 179.40 1iio h ILE 13 N 0.15 1.38 0.18 2.54 2.04 0.23 0.14 117.51 124.18 1iio h ILE 13 Ca 0.01 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 1iio h ILE 13 Cb 0.88 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1iio h ILE 13 CO 0.07 0.41 -0.14 0.40 0.00 0.00 0.00 178.15 178.89 1iio h ILE 14 N -0.13 0.69 -0.49 -0.67 1.08 -0.56 0.27 117.51 117.71 1iio h ILE 14 Ca 0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.43 1iio h ILE 14 Cb 0.75 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1iio h ILE 14 CO 0.04 0.00 0.09 1.23 -0.69 0.00 0.00 178.15 178.82 1iio h GLY 15 N -0.33 0.81 2.00 5.37 0.00 -1.58 -1.81 103.07 107.53 1iio h GLY 15 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1iio h GLY 15 CO -0.01 0.44 -0.18 0.00 0.00 0.00 0.00 176.54 176.79 1iio h ALA 16 N 1.38 1.21 0.00 3.60 0.00 -0.40 -2.57 119.26 122.48 1iio h ALA 16 Ca 0.16 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1iio h ALA 16 Cb 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1iio h ALA 16 CO 0.00 0.22 -1.11 -0.07 0.00 0.00 0.00 179.25 178.30 1iio h LEU 17 N 0.00 0.00 -9.63 0.00 3.38 0.35 -3.01 115.31 106.40 1iio h LEU 17 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1iio h LEU 17 Cb 0.49 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.32 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 -2.38 1.83 0.00 1.53 0.00 -0.86 -2.64 120.51 117.99 1iio n ALA 18 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1iio n ALA 18 Cb 0.94 -2.38 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 2.78 1.83 2.73 0.00 0.00 -1.26 -4.69 105.19 106.57 1iio n GLY 19 Ca 0.13 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.72 -1.00 4.61 0.00 -1.08 -4.94 120.51 115.38 1iio n ALA 20 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 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 -1.96 0.00 -3.36 0.00 8.00 -1.26 -4.82 116.55 113.15 1iio n ASP 21 Ca 0.07 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.26 1iio n ASP 21 Cb 0.31 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.70 1iio n ASP 21 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1iio s PHE 22 N 0.00 -0.81 -0.43 1.24 -0.12 -1.26 -4.63 117.98 111.97 1iio s PHE 22 Ca 0.00 0.54 -0.15 0.00 -0.05 0.00 0.00 56.93 57.27 1iio s PHE 22 Cb 0.00 -2.87 -0.15 0.00 -0.63 0.00 0.00 43.02 39.37 1iio s PHE 22 CO 0.00 -5.11 1.67 -0.35 -0.05 0.00 0.00 175.22 171.38 1iio n PRO 23 N -5.72 0.91 0.00 1.99 -0.04 -1.26 -3.56 135.00 127.32 1iio n PRO 23 Ca 0.13 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1iio n PRO 23 Cb 0.60 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 5.58 0.00 -0.45 0.52 2.08 -1.26 -2.41 119.36 123.42 1iio n ILE 24 Ca 0.36 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.40 1iio n ILE 24 Cb 0.25 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.08 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 1.33 -1.51 4.38 4.13 -1.23 -4.08 115.26 118.28 1iio n ASN 25 Ca 0.00 -2.34 0.06 0.00 1.68 0.00 0.00 54.58 53.98 1iio n ASN 25 Cb 0.00 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.55 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 6.87 -7.72 -0.32 6.41 3.41 -1.01 -1.99 113.62 119.26 1iio n SER 26 Ca 0.31 1.63 0.31 0.00 -0.26 0.00 0.00 58.87 60.86 1iio n SER 26 Cb 0.24 -4.88 0.66 0.00 -0.26 0.00 0.00 64.21 59.97 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 -0.40 0.14 0.14 4.33 0.11 -1.91 -0.62 132.00 133.79 1iio h PRO 27 Ca -0.07 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1iio h PRO 27 Cb 1.04 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1iio h PRO 27 CO 0.03 0.09 -0.42 0.93 -0.21 0.00 0.00 178.00 178.42 1iio h GLU 28 N 0.14 -0.64 0.18 1.05 4.39 -1.98 0.18 114.58 117.91 1iio h GLU 28 Ca 0.58 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.32 1iio h GLU 28 Cb 1.99 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.79 1iio h GLU 28 CO -0.13 -0.42 -0.09 1.49 -1.16 0.00 0.00 179.01 178.70 1iio h GLU 29 N -0.66 -0.24 -0.92 2.33 4.57 -0.55 -2.17 114.58 116.94 1iio h GLU 29 Ca 0.02 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.40 1iio h GLU 29 Cb 0.68 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.22 1iio h GLU 29 CO -0.23 0.01 0.49 1.37 -1.18 0.00 0.00 179.01 179.47 1iio h LEU 30 N -1.02 0.57 -1.30 1.64 8.10 -1.24 1.64 115.31 123.70 1iio h LEU 30 Ca -0.03 0.11 -0.05 0.00 0.11 0.00 0.00 57.88 58.02 1iio h LEU 30 Cb 0.36 0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1iio h LEU 30 CO 0.04 0.16 -0.11 -0.03 -4.11 0.00 0.00 178.44 174.39 1iio h MET 31 N 0.60 0.33 0.00 0.17 4.05 -0.74 -1.05 114.93 118.29 1iio h MET 31 Ca 0.54 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.84 1iio h MET 31 Cb 0.90 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 1iio h MET 31 CO -0.42 0.46 -0.21 0.00 0.23 0.00 0.00 176.91 176.96 1iio h ALA 32 N 1.57 0.98 -0.01 0.39 0.00 0.29 -3.03 119.26 119.46 1iio h ALA 32 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 32 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iio h ALA 32 CO 0.02 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 1iio h ALA 33 N 1.79 0.01 -0.25 0.00 0.00 0.93 -3.43 119.26 118.31 1iio h ALA 33 Ca -0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1iio h ALA 33 Cb 0.81 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1iio h ALA 33 CO 0.03 -0.17 -0.06 1.28 0.00 0.00 0.00 179.25 180.32 1iio n LEU 34 N -4.77 -0.17 -0.35 0.00 4.32 -1.07 -4.64 117.00 110.32 1iio n LEU 34 Ca -0.09 0.29 0.28 0.00 -0.02 0.00 0.00 56.01 56.46 1iio n LEU 34 Cb 0.32 -0.23 0.58 0.00 -1.62 0.00 0.00 43.42 42.46 1iio n LEU 34 CO 0.34 -0.62 1.24 1.55 -1.22 0.00 0.00 177.39 178.68 1iio h PRO 35 N 0.49 0.26 0.00 3.23 0.13 -1.87 0.30 132.00 134.53 1iio h PRO 35 Ca -0.10 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.94 1iio h PRO 35 Cb 0.36 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1iio h PRO 35 CO 0.15 0.17 -0.35 -0.97 -0.23 0.00 0.00 178.00 176.78 1iio h ASN 36 N 0.27 0.00 0.00 1.44 -1.24 -1.95 -3.49 115.58 110.62 1iio h ASN 36 Ca 0.64 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.65 1iio h ASN 36 Cb 1.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.90 1iio h ASN 36 CO -0.27 0.35 0.00 0.61 -1.29 0.00 0.00 177.43 176.82 1iio n GLY 37 N 0.24 2.08 1.43 1.57 0.00 0.11 -4.75 105.19 105.87 1iio n GLY 37 Ca -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 1.17 -2.19 1.61 -0.04 -1.26 -4.31 135.00 129.97 1iio n PRO 38 Ca 0.00 -0.36 -0.04 0.00 -0.04 0.00 0.00 63.50 63.07 1iio n PRO 38 Cb 0.00 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1iio n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1iio n ASP 39 N 0.90 -1.38 -4.72 3.54 -0.08 -1.14 -4.92 116.55 108.74 1iio n ASP 39 Ca 0.07 0.93 -0.42 0.00 -1.51 0.00 0.00 54.79 53.86 1iio n ASP 39 Cb 0.56 -3.83 -0.03 0.00 2.34 0.00 0.00 41.12 40.16 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1iio s THR 40 N -0.44 2.52 -0.02 5.18 -1.32 -1.26 -4.96 115.64 115.34 1iio s THR 40 Ca -0.18 0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 60.39 1iio s THR 40 Cb 0.01 -3.25 -0.03 0.00 -1.51 0.00 0.00 72.50 67.72 1iio s THR 40 CO 0.48 0.04 1.13 -0.89 -2.21 0.00 0.00 174.62 173.17 1iio s THR 41 N 0.88 4.40 -0.53 5.08 2.01 -1.26 -4.93 115.64 121.30 1iio s THR 41 Ca 0.68 1.72 0.03 0.00 0.31 0.00 0.00 61.69 64.43 1iio s THR 41 Cb -0.44 -4.10 0.42 0.00 0.01 0.00 0.00 72.50 68.38 1iio s THR 41 CO 0.34 0.06 1.49 0.00 -0.69 0.00 0.00 174.62 175.82 1iio s LYS 43 N -3.72 4.37 -0.23 0.00 -2.85 -1.26 -4.41 119.74 111.64 1iio s LYS 43 Ca 0.52 1.66 -0.08 0.00 -1.00 0.00 0.00 55.97 57.07 1iio s LYS 43 Cb 0.43 -3.54 -0.04 0.00 -2.06 0.00 0.00 37.83 32.62 1iio s LYS 43 CO -0.15 -0.42 0.10 -1.12 0.10 0.00 0.00 175.35 173.86 1iio s SER 44 N 1.42 5.64 0.00 0.03 0.01 -1.00 -4.70 113.70 115.10 1iio s SER 44 Ca 0.56 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1iio s SER 44 Cb -0.25 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1iio s SER 44 CO 0.22 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1iio n GLY 45 N 4.27 0.65 0.00 3.44 0.00 -1.26 -2.66 105.19 109.64 1iio n GLY 45 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.48 0.00 -4.61 1.61 5.75 -1.26 -5.10 116.55 114.42 1iio n ASP 46 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 1iio n ASP 46 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -1.00 3.44 -0.09 2.12 1.01 -1.09 -4.97 120.40 119.82 1iio s VAL 47 Ca 0.00 0.47 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 1iio s VAL 47 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1iio s VAL 47 CO 0.00 -0.28 0.50 -0.70 0.00 0.00 0.00 175.10 174.61 1iio s GLU 48 N 5.39 4.30 -0.03 2.72 2.12 -1.26 -2.38 118.70 129.56 1iio s GLU 48 Ca 0.81 0.51 0.00 0.00 0.36 0.00 0.00 54.97 56.65 1iio s GLU 48 Cb -0.26 -3.40 0.03 0.00 0.26 0.00 0.00 34.13 30.75 1iio s GLU 48 CO 0.33 0.24 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.78 1iio s LEU 49 N 0.33 1.21 0.00 2.70 2.01 -1.26 -4.82 118.68 118.85 1iio s LEU 49 Ca 0.27 -0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.38 1iio s LEU 49 Cb -0.16 -0.22 0.00 0.00 0.01 0.00 0.00 46.19 45.82 1iio s LEU 49 CO 0.12 -0.09 0.00 2.29 1.01 0.00 0.00 176.35 179.68 1iio n LYS 50 N 4.08 0.00 -0.03 1.70 2.85 -1.26 -3.77 118.16 121.73 1iio n LYS 50 Ca -0.27 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 56.85 1iio n LYS 50 Cb 0.51 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.78 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 0.05 0.05 0.58 0.00 -1.94 -1.10 119.26 118.91 1iio h ALA 51 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1iio h ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iio h ALA 51 CO 0.00 0.04 -0.02 1.03 0.00 0.00 0.00 179.25 180.30 1iio h SER 52 N -0.44 -0.05 -0.05 0.00 0.87 -1.95 0.43 113.55 112.36 1iio h SER 52 Ca -0.02 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 1iio h SER 52 Cb 0.90 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1iio h SER 52 CO 0.04 0.41 -0.04 0.44 -0.53 0.00 0.00 176.83 177.15 1iio h ASP 53 N -0.53 0.13 0.02 6.23 5.19 -1.94 -3.28 116.42 122.24 1iio h ASP 53 Ca -0.01 -0.46 -0.37 0.00 -0.62 0.00 0.00 57.03 55.57 1iio h ASP 53 Cb 0.47 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.90 1iio h ASP 53 CO 0.01 0.56 -2.12 0.00 -3.12 0.00 0.00 179.24 174.57 1iio n ALA 54 N -2.36 1.09 -0.25 3.45 0.00 -0.77 -4.33 120.51 117.35 1iio n ALA 54 Ca -0.07 -0.86 0.33 0.00 0.00 0.00 0.00 53.44 52.84 1iio n ALA 54 Cb 0.27 -0.25 0.71 0.00 0.00 0.00 0.00 19.45 20.19 1iio n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iio h GLY 55 N 0.11 0.00 -1.05 0.00 0.00 0.11 -0.38 103.07 101.86 1iio h GLY 55 Ca -0.54 0.00 0.43 0.00 0.00 0.00 0.00 47.33 47.22 1iio h GLY 55 CO -0.20 0.00 0.93 0.06 0.00 0.00 0.00 176.54 177.34 1iio h GLN 56 N 0.00 0.09 -0.21 4.80 3.07 -1.55 0.94 115.11 122.25 1iio h GLN 56 Ca 0.51 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 59.18 1iio h GLN 56 Cb 2.24 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.77 1iio h GLN 56 CO -0.01 0.06 -0.16 -0.39 0.09 0.00 0.00 178.83 178.42 1iio h VAL 57 N 0.10 1.22 -2.69 1.86 -1.51 -1.36 -3.43 116.25 110.43 1iio h VAL 57 Ca 0.78 -0.99 -0.53 0.00 -1.23 0.00 0.00 66.70 64.73 1iio h VAL 57 Cb 2.62 1.24 0.02 0.00 -2.13 0.00 0.00 31.29 33.05 1iio h VAL 57 CO -0.27 0.31 0.99 -0.76 -1.23 0.00 0.00 177.57 176.61 1iio s LEU 58 N -8.74 4.37 0.58 4.19 1.43 0.32 -4.98 118.68 115.84 1iio s LEU 58 Ca -0.06 2.49 -0.15 0.00 -1.03 0.00 0.00 54.13 55.38 1iio s LEU 58 Cb 0.15 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 1iio s LEU 58 CO 0.76 -0.88 1.03 0.42 0.23 0.00 0.00 176.35 177.90 1iio s THR 59 N 2.57 4.24 0.27 5.49 -4.23 -1.26 -4.92 115.64 117.80 1iio s THR 59 Ca 0.74 0.98 0.01 0.00 -1.18 0.00 0.00 61.69 62.24 1iio s THR 59 Cb -0.40 -3.58 0.26 0.00 1.34 0.00 0.00 72.50 70.12 1iio s THR 59 CO 0.32 -0.70 1.74 0.00 -0.54 0.00 0.00 174.62 175.44 1iio h ALA 60 N 0.40 1.33 -0.10 3.99 0.00 -1.96 0.42 119.26 123.34 1iio h ALA 60 Ca -0.46 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1iio h ALA 60 Cb 1.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1iio h ALA 60 CO 0.60 -0.19 0.22 -0.44 0.00 0.00 0.00 179.25 179.43 1iio h ASP 61 N 0.53 0.00 0.00 0.00 3.32 -2.02 -1.16 116.42 117.09 1iio h ASP 61 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1iio h ASP 61 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1iio h ASP 61 CO -0.43 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.56 1iio n ASP 62 N -3.35 0.00 -0.15 6.45 8.00 0.15 -4.20 116.55 123.45 1iio n ASP 62 Ca -0.00 -0.55 -0.04 0.00 0.71 0.00 0.00 54.79 54.91 1iio n ASP 62 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.70 -0.29 1.24 -1.00 -1.37 -3.00 116.94 111.81 1iio h PHE 63 Ca 0.00 0.05 -0.47 0.00 2.81 0.00 0.00 57.97 60.35 1iio h PHE 63 Cb 0.00 0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1iio h PHE 63 CO 0.00 -0.14 1.60 -0.35 -1.61 0.00 0.00 178.31 177.81 1iio n PRO 64 N -3.82 1.62 -2.62 1.51 -0.04 -1.26 -2.41 135.00 127.98 1iio n PRO 64 Ca 0.01 -2.26 -0.39 0.00 -0.04 0.00 0.00 63.50 60.82 1iio n PRO 64 Cb 0.10 -3.40 -0.05 0.00 -0.04 0.00 0.00 33.50 30.11 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 8.41 3.66 -0.54 0.54 0.08 -1.14 -4.90 117.98 124.08 1iio s PHE 65 Ca 0.63 1.77 -0.22 0.00 0.12 0.00 0.00 56.93 59.24 1iio s PHE 65 Cb 0.06 -3.10 -0.20 0.00 -0.57 0.00 0.00 43.02 39.21 1iio s PHE 65 CO 0.13 -0.14 1.81 1.17 -0.10 0.00 0.00 175.22 178.09 1iio n LYS 66 N 0.92 1.09 -1.43 0.44 3.00 -1.26 -4.77 118.16 116.15 1iio n LYS 66 Ca 0.00 -1.52 0.17 0.00 -0.00 0.00 0.00 58.31 56.97 1iio n LYS 66 Cb 0.47 -2.72 -0.09 0.00 0.00 0.00 0.00 35.03 32.70 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 7.42 -7.73 0.03 3.14 7.64 -1.20 -2.59 113.62 120.33 1iio n SER 67 Ca 0.46 1.33 0.22 0.00 1.01 0.00 0.00 58.87 61.89 1iio n SER 67 Cb 0.36 -4.84 0.72 0.00 -1.01 0.00 0.00 64.21 59.44 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 -1.43 2.28 -0.01 -0.43 0.00 -1.78 -1.55 119.26 116.35 1iio h ALA 68 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 68 Cb 1.34 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1iio h ALA 68 CO 0.07 -0.81 0.01 1.05 0.00 0.00 0.00 179.25 179.57 1iio h GLU 69 N 0.00 0.01 -0.16 0.00 4.11 -1.90 0.16 114.58 116.80 1iio h GLU 69 Ca 0.25 -0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.52 1iio h GLU 69 Cb 1.32 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1iio h GLU 69 CO -0.00 0.02 -0.57 1.05 0.07 0.00 0.00 179.01 179.57 1iio h GLU 70 N -0.00 0.49 -0.74 1.06 4.11 -1.02 -2.84 114.58 115.63 1iio h GLU 70 Ca 0.00 -0.32 -0.04 0.00 0.07 0.00 0.00 59.36 59.07 1iio h GLU 70 Cb 0.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1iio h GLU 70 CO -0.00 0.93 0.30 0.28 0.07 0.00 0.00 179.01 180.59 1iio h VAL 71 N 0.37 1.25 0.16 -1.06 2.07 -1.30 0.27 116.25 118.02 1iio h VAL 71 Ca 0.00 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1iio h VAL 71 Cb 1.11 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1iio h VAL 71 CO 0.10 0.32 -0.08 0.00 0.02 0.00 0.00 177.57 177.94 1iio h ALA 72 N 1.15 -0.22 -0.47 1.67 0.00 -0.60 -1.17 119.26 119.62 1iio h ALA 72 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1iio h ALA 72 Cb 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1iio h ALA 72 CO -0.02 -0.60 -0.08 -0.44 0.00 0.00 0.00 179.25 178.11 1iio h ASP 73 N -0.26 0.89 -0.11 0.00 5.19 -1.37 -2.77 116.42 117.99 1iio h ASP 73 Ca -0.02 -0.35 0.02 0.00 -0.62 0.00 0.00 57.03 56.06 1iio h ASP 73 Cb 0.20 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 1iio h ASP 73 CO 0.04 1.03 -0.03 0.74 -3.12 0.00 0.00 179.24 177.89 1iio h THR 74 N 0.74 0.87 -0.10 0.35 2.02 -0.37 0.11 112.91 116.54 1iio h THR 74 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1iio h THR 74 Cb 0.62 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1iio h THR 74 CO 0.04 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.39 1iio h ILE 75 N -0.01 1.03 -0.67 3.11 2.04 -1.22 -2.34 117.51 119.46 1iio h ILE 75 Ca 0.06 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1iio h ILE 75 Cb 0.10 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1iio h ILE 75 CO -0.12 0.03 0.28 -0.37 0.00 0.00 0.00 178.15 177.96 1iio h VAL 76 N 0.13 1.24 0.47 1.67 -1.51 -1.31 0.25 116.25 117.18 1iio h VAL 76 Ca 0.04 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.76 1iio h VAL 76 Cb -0.01 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 29.62 1iio h VAL 76 CO -0.01 0.29 -0.29 0.78 -1.23 0.00 0.00 177.57 177.11 1iio h ASN 77 N 0.94 -0.73 -0.17 4.19 -0.26 -0.55 0.94 115.58 119.93 1iio h ASN 77 Ca 0.22 0.04 -0.19 0.00 -0.56 0.00 0.00 56.30 55.82 1iio h ASN 77 Cb 0.19 0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 1iio h ASN 77 CO -0.02 -0.46 -0.61 0.11 -1.06 0.00 0.00 177.43 175.39 1iio h LYS 78 N -0.73 0.78 0.00 0.81 1.57 -1.42 -3.16 116.57 114.42 1iio h LYS 78 Ca -0.05 -0.53 -0.07 0.00 -1.87 0.00 0.00 60.65 58.13 1iio h LYS 78 Cb 0.60 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1iio h LYS 78 CO 0.05 1.16 -0.32 0.00 -0.57 0.00 0.00 179.45 179.77 1iio h ALA 79 N 0.72 1.44 0.00 3.86 0.00 -0.46 -3.47 119.26 121.35 1iio h ALA 79 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1iio h ALA 79 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1iio h ALA 79 CO 0.13 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1iio n GLY 80 N -0.57 1.87 0.00 0.00 0.00 0.52 -5.04 105.19 101.97 1iio n GLY 80 Ca -0.02 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36