#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 0.00 0.12 1.61 3.41 -1.26 -5.00 113.62 112.51 1iio n SER -2 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1iio n SER -2 Cb 0.00 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 1iio n SER -2 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1iio h HIS -1 N 0.00 -0.28 0.00 7.33 -0.00 -2.07 -3.47 115.15 116.65 1iio h HIS -1 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1iio h HIS -1 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1iio h HIS -1 CO 0.00 0.01 0.00 -0.12 -0.00 0.00 0.00 177.93 177.82 1iio n MET 1 N -5.10 0.00 0.00 5.26 1.56 -1.26 -5.09 117.12 112.49 1iio n MET 1 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.34 1iio n MET 1 Cb 0.23 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.60 1iio n MET 1 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1iio n LYS 2 N -0.07 0.00 -1.93 2.12 -0.00 -1.26 -5.02 118.16 112.00 1iio n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1iio n LYS 2 Cb 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 35.03 34.59 1iio n LYS 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1iio n MET 3 N -2.98 -2.35 0.00 -1.58 2.81 -1.26 -5.01 117.12 106.75 1iio n MET 3 Ca 0.00 1.67 0.00 0.00 -1.81 0.00 0.00 57.70 57.56 1iio n MET 3 Cb 0.41 -2.21 0.00 0.00 -0.71 0.00 0.00 33.22 30.70 1iio n MET 3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iio n GLY 4 N 1.81 -0.57 0.00 3.03 0.00 -1.26 -4.94 105.19 103.25 1iio n GLY 4 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.72 -0.29 1.61 3.14 -1.26 -3.51 118.33 118.75 1iio n VAL 5 Ca 0.00 0.18 0.08 0.00 -2.96 0.00 0.00 64.34 61.64 1iio n VAL 5 Cb 0.00 -1.00 0.20 0.00 -1.06 0.00 0.00 33.84 31.99 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 0.09 0.04 1.45 3.64 -1.99 0.83 116.57 120.64 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 0.10 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1iio h LYS 6 CO 0.00 0.06 -1.02 1.49 -2.27 0.00 0.00 179.45 177.72 1iio h GLU 7 N 0.10 0.28 0.18 1.90 4.22 -1.97 -2.62 114.58 116.66 1iio h GLU 7 Ca 0.48 -0.36 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 1iio h GLU 7 Cb 0.89 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1iio h GLU 7 CO -0.73 1.09 -0.09 -0.44 -2.18 0.00 0.00 179.01 176.66 1iio h ASP 8 N 0.13 -0.20 -0.14 1.04 3.32 0.17 0.22 116.42 120.97 1iio h ASP 8 Ca -0.08 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1iio h ASP 8 Cb 1.68 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 1iio h ASP 8 CO 0.16 -0.01 -0.00 0.40 -1.72 0.00 0.00 179.24 178.08 1iio h ILE 9 N -0.39 1.25 -0.44 0.35 2.04 0.09 -1.84 117.51 118.57 1iio h ILE 9 Ca -0.02 -0.83 0.13 0.00 1.00 0.00 0.00 64.86 65.13 1iio h ILE 9 Cb 0.30 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1iio h ILE 9 CO 0.04 0.24 0.35 -0.09 0.00 0.00 0.00 178.15 178.69 1iio h ARG 10 N -0.01 0.00 -0.38 2.37 2.43 -1.44 0.42 114.38 117.76 1iio h ARG 10 Ca 0.04 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1iio h ARG 10 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1iio h ARG 10 CO 0.01 0.00 0.01 0.78 -1.51 0.00 0.00 179.97 179.26 1iio h GLY 11 N 0.00 0.72 1.92 2.80 0.00 0.27 0.14 103.07 108.92 1iio h GLY 11 Ca 0.21 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1iio h GLY 11 CO -0.00 0.48 -0.33 1.46 0.00 0.00 0.00 176.54 178.14 1iio h GLN 12 N 0.49 0.09 -0.24 4.80 4.20 0.13 -2.75 115.11 121.83 1iio h GLN 12 Ca 0.11 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1iio h GLN 12 Cb 0.44 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1iio h GLN 12 CO 0.02 0.41 -0.36 0.82 -0.67 0.00 0.00 178.83 179.05 1iio h ILE 13 N 0.08 1.31 0.21 2.54 2.04 -0.10 0.14 117.51 123.73 1iio h ILE 13 Ca 0.01 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1iio h ILE 13 Cb 0.63 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1iio h ILE 13 CO 0.05 0.49 -0.19 0.40 0.00 0.00 0.00 178.15 178.89 1iio h ILE 14 N 0.38 0.58 -0.46 -0.67 1.08 -0.52 0.21 117.51 118.11 1iio h ILE 14 Ca 0.02 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.40 1iio h ILE 14 Cb 0.95 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 1iio h ILE 14 CO 0.08 0.00 -0.08 1.23 -0.69 0.00 0.00 178.15 178.69 1iio h GLY 15 N -0.43 0.89 1.91 5.37 0.00 -1.54 -2.01 103.07 107.26 1iio h GLY 15 Ca -0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 1iio h GLY 15 CO -0.04 0.60 0.04 0.00 0.00 0.00 0.00 176.54 177.15 1iio h ALA 16 N 1.16 1.90 0.00 3.60 0.00 -0.25 -1.45 119.26 124.22 1iio h ALA 16 Ca 0.13 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1iio h ALA 16 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1iio h ALA 16 CO 0.03 0.08 -1.03 -0.07 0.00 0.00 0.00 179.25 178.26 1iio h LEU 17 N 0.12 0.00 -9.44 0.00 3.38 -0.11 -3.07 115.31 106.20 1iio h LEU 17 Ca 0.03 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.43 1iio h LEU 17 Cb 0.02 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.81 1iio h LEU 17 CO -0.00 0.94 1.00 0.00 0.09 0.00 0.00 178.44 180.47 1iio n ALA 18 N -2.36 1.51 0.00 1.53 0.00 -0.55 -2.61 120.51 118.03 1iio n ALA 18 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.77 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 4.01 2.19 2.03 0.00 0.00 -1.26 -4.78 105.19 107.38 1iio n GLY 19 Ca 0.19 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.22 -1.00 4.61 0.00 -1.07 -4.93 120.51 115.90 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 -2.29 0.00 -3.54 0.00 9.92 -1.26 -4.82 116.55 114.56 1iio n ASP 21 Ca 0.06 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.02 1iio n ASP 21 Cb 0.25 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 41.02 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 -3.20 -0.62 1.24 1.16 -1.26 -4.61 117.46 110.17 1iio n PHE 22 Ca 0.00 -0.65 -0.30 0.00 -1.87 0.00 0.00 57.45 54.63 1iio n PHE 22 Cb 0.00 -1.42 -0.06 0.00 -1.61 0.00 0.00 39.48 36.39 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 -5.56 0.82 0.00 3.97 -0.04 -1.26 -3.52 135.00 129.41 1iio n PRO 23 Ca 0.11 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1iio n PRO 23 Cb 0.59 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 5.74 0.00 -0.46 0.52 2.08 -1.26 -2.30 119.36 123.67 1iio n ILE 24 Ca 0.37 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.41 1iio n ILE 24 Cb 0.27 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.10 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 1.42 -1.46 4.38 4.13 -1.23 -4.07 115.26 118.43 1iio n ASN 25 Ca 0.00 -2.33 0.07 0.00 1.68 0.00 0.00 54.58 54.00 1iio n ASN 25 Cb 0.00 -0.67 -0.04 0.00 -1.54 0.00 0.00 39.78 37.53 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 -7.34 -0.32 6.41 3.41 -1.09 -1.95 113.62 119.48 1iio n SER 26 Ca 0.31 1.53 0.31 0.00 -0.26 0.00 0.00 58.87 60.76 1iio n SER 26 Cb 0.23 -4.73 0.67 0.00 -0.26 0.00 0.00 64.21 60.13 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 -0.53 0.13 0.13 4.33 0.11 -1.92 -0.55 132.00 133.71 1iio h PRO 27 Ca -0.08 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.04 1iio h PRO 27 Cb 1.03 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1iio h PRO 27 CO 0.03 0.08 -0.41 0.93 -0.21 0.00 0.00 178.00 178.43 1iio h GLU 28 N 0.13 -0.63 0.15 1.05 4.39 -1.98 0.16 114.58 117.85 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 2.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.82 1iio h GLU 28 CO -0.12 -0.42 -0.07 1.49 -1.16 0.00 0.00 179.01 178.73 1iio h GLU 29 N -0.65 -0.19 -1.00 2.33 4.57 -0.51 -2.38 114.58 116.75 1iio h GLU 29 Ca 0.02 0.01 0.25 0.00 -1.18 0.00 0.00 59.36 58.46 1iio h GLU 29 Cb 0.67 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.23 1iio h GLU 29 CO -0.23 0.07 0.66 1.37 -1.18 0.00 0.00 179.01 179.69 1iio h LEU 30 N -1.01 0.38 -0.79 1.64 8.10 -1.22 2.21 115.31 124.62 1iio h LEU 30 Ca -0.02 0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.93 1iio h LEU 30 Cb 0.34 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 1iio h LEU 30 CO 0.03 0.11 -0.16 -0.03 -4.11 0.00 0.00 178.44 174.28 1iio h MET 31 N 0.36 0.74 0.00 0.17 4.05 -0.75 -1.81 114.93 117.69 1iio h MET 31 Ca 0.54 -0.27 -0.03 0.00 -0.28 0.00 0.00 59.70 59.66 1iio h MET 31 Cb 1.45 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1iio h MET 31 CO -0.22 0.86 -0.16 0.00 0.23 0.00 0.00 176.91 177.62 1iio h ALA 32 N 1.16 1.13 -0.04 0.39 0.00 0.40 -2.91 119.26 119.39 1iio h ALA 32 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1iio h ALA 32 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1iio h ALA 32 CO 0.05 0.20 -0.29 0.00 0.00 0.00 0.00 179.25 179.21 1iio h ALA 33 N 1.84 0.09 -1.20 0.00 0.00 0.19 -3.43 119.26 116.74 1iio h ALA 33 Ca -0.00 -0.44 -0.51 0.00 0.00 0.00 0.00 54.91 53.95 1iio h ALA 33 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.44 1iio h ALA 33 CO 0.02 0.13 -0.67 1.28 0.00 0.00 0.00 179.25 180.01 1iio n LEU 34 N -4.47 -1.95 -0.20 0.00 4.32 -1.04 -4.73 117.00 108.93 1iio n LEU 34 Ca -0.09 0.72 -0.01 0.00 -0.02 0.00 0.00 56.01 56.61 1iio n LEU 34 Cb 0.49 -0.72 0.05 0.00 -1.62 0.00 0.00 43.42 41.62 1iio n LEU 34 CO 0.41 -3.11 0.73 1.55 -1.22 0.00 0.00 177.39 175.75 1iio h PRO 35 N 0.41 -0.02 0.00 3.23 0.13 -1.91 -0.64 132.00 133.20 1iio h PRO 35 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1iio h PRO 35 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1iio h PRO 35 CO 0.40 -0.01 0.00 -2.95 -0.23 0.00 0.00 178.00 175.21 1iio h ASN 36 N -0.02 0.00 0.00 1.44 -0.00 -1.95 -3.48 115.58 111.57 1iio h ASN 36 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.58 1iio h ASN 36 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1iio h ASN 36 CO -0.62 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.42 1iio n GLY 37 N 0.29 1.99 1.93 9.14 0.00 -0.25 -4.83 105.19 113.47 1iio n GLY 37 Ca 0.03 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 1.75 -2.51 1.61 -0.04 -1.26 -3.94 135.00 130.60 1iio n PRO 38 Ca 0.00 -1.12 -0.03 0.00 -0.04 0.00 0.00 63.50 62.31 1iio n PRO 38 Cb 0.00 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 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 1.39 -3.29 -4.73 3.54 2.03 -1.10 -4.90 116.55 109.48 1iio n ASP 39 Ca 0.29 1.23 -0.42 0.00 0.52 0.00 0.00 54.79 56.42 1iio n ASP 39 Cb 0.65 -4.83 -0.03 0.00 -0.72 0.00 0.00 41.12 36.19 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1iio s THR 40 N -0.95 2.72 -0.07 5.18 -1.32 -1.26 -4.87 115.64 115.07 1iio s THR 40 Ca -0.15 0.57 -0.30 0.00 -1.21 0.00 0.00 61.69 60.60 1iio s THR 40 Cb 0.01 -3.36 -0.02 0.00 -1.51 0.00 0.00 72.50 67.62 1iio s THR 40 CO 0.71 0.07 1.01 -0.89 -2.21 0.00 0.00 174.62 173.30 1iio s THR 41 N 0.45 4.79 -0.69 5.08 2.01 -1.26 -4.85 115.64 121.17 1iio s THR 41 Ca 0.63 2.03 -0.01 0.00 0.31 0.00 0.00 61.69 64.65 1iio s THR 41 Cb -0.42 -4.31 0.43 0.00 0.01 0.00 0.00 72.50 68.21 1iio s THR 41 CO 0.38 0.05 1.97 0.00 -0.69 0.00 0.00 174.62 176.33 1iio s LYS 43 N -3.87 3.94 -0.03 0.00 -2.85 -1.26 -4.66 119.74 111.01 1iio s LYS 43 Ca 0.61 1.35 -0.02 0.00 -1.00 0.00 0.00 55.97 56.91 1iio s LYS 43 Cb 0.48 -2.20 0.02 0.00 -2.06 0.00 0.00 37.83 34.07 1iio s LYS 43 CO -0.11 -0.31 0.08 -1.12 0.10 0.00 0.00 175.35 173.99 1iio s SER 44 N -1.93 -0.06 0.00 0.03 0.01 -0.51 -4.93 113.70 106.32 1iio s SER 44 Ca 0.64 0.16 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1iio s SER 44 Cb -0.16 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1iio s SER 44 CO 0.20 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1iio n GLY 45 N 3.46 0.64 0.49 3.44 0.00 -1.26 -1.99 105.19 109.97 1iio n GLY 45 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 1.68 -0.18 -3.99 1.61 5.75 -1.26 -5.13 116.55 115.03 1iio n ASP 46 Ca 0.00 -0.42 -0.26 0.00 -0.01 0.00 0.00 54.79 54.10 1iio n ASP 46 Cb 0.00 0.05 -0.17 0.00 -1.03 0.00 0.00 41.12 39.98 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 0.00 1.19 -0.10 2.12 1.01 -0.84 -5.13 120.40 118.65 1iio s VAL 47 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1iio s VAL 47 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1iio s VAL 47 CO 0.00 0.38 -0.19 -1.83 0.00 0.00 0.00 175.10 173.46 1iio s GLU 48 N 1.09 3.10 -0.07 2.72 4.04 -1.26 -1.42 118.70 126.90 1iio s GLU 48 Ca -0.06 -0.80 -0.04 0.00 0.04 0.00 0.00 54.97 54.11 1iio s GLU 48 Cb -0.14 -2.42 0.03 0.00 0.02 0.00 0.00 34.13 31.62 1iio s GLU 48 CO -0.02 0.24 0.15 -0.51 -1.84 0.00 0.00 175.26 173.29 1iio s LEU 49 N 0.23 0.93 0.00 1.83 2.01 -1.26 -4.84 118.68 117.58 1iio s LEU 49 Ca -0.13 0.32 -0.01 0.00 0.01 0.00 0.00 54.13 54.32 1iio s LEU 49 Cb -0.16 0.44 0.00 0.00 0.01 0.00 0.00 46.19 46.48 1iio s LEU 49 CO 0.07 -0.12 0.06 2.29 1.01 0.00 0.00 176.35 179.66 1iio n LYS 50 N 3.82 0.03 0.14 1.70 2.85 -1.26 -3.55 118.16 121.88 1iio n LYS 50 Ca -0.22 -0.08 -0.14 0.00 -1.05 0.00 0.00 58.31 56.82 1iio n LYS 50 Cb 0.54 0.11 -0.08 0.00 -0.65 0.00 0.00 35.03 34.95 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 -0.29 0.05 0.58 0.00 -1.89 0.49 119.26 120.19 1iio h ALA 51 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1iio h ALA 51 Cb 0.07 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1iio h ALA 51 CO 0.02 -0.61 -0.02 0.66 0.00 0.00 0.00 179.25 179.30 1iio h SER 52 N -0.40 -0.05 -0.00 0.00 4.64 -1.90 0.24 113.55 116.07 1iio h SER 52 Ca -0.03 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1iio h SER 52 Cb 0.31 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1iio h SER 52 CO 0.05 0.56 -0.00 0.44 -0.87 0.00 0.00 176.83 177.01 1iio h ASP 53 N -0.70 0.01 0.05 4.97 5.19 -1.96 -3.15 116.42 120.83 1iio h ASP 53 Ca -0.01 -0.46 -0.30 0.00 -0.62 0.00 0.00 57.03 55.64 1iio h ASP 53 Cb 0.61 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 1iio h ASP 53 CO 0.01 0.46 -1.66 0.00 -3.12 0.00 0.00 179.24 174.93 1iio n ALA 54 N -2.33 0.86 0.28 3.45 0.00 0.53 -4.16 120.51 119.14 1iio n ALA 54 Ca -0.08 -0.57 0.17 0.00 0.00 0.00 0.00 53.44 52.95 1iio n ALA 54 Cb 0.24 -0.56 0.84 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.07 0.00 -1.10 0.00 0.00 0.33 -2.20 103.07 100.03 1iio h GLY 55 Ca -0.40 0.00 0.44 0.00 0.00 0.00 0.00 47.33 47.37 1iio h GLY 55 CO -0.10 0.00 1.07 0.06 0.00 0.00 0.00 176.54 177.57 1iio h GLN 56 N 0.00 0.04 -1.07 4.80 3.07 -1.45 0.28 115.11 120.78 1iio h GLN 56 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1iio h GLN 56 Cb 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1iio h GLN 56 CO -0.00 0.03 0.00 1.33 0.09 0.00 0.00 178.83 180.27 1iio n VAL 57 N -4.20 0.70 -3.90 1.86 0.24 -0.83 -4.69 118.33 107.52 1iio n VAL 57 Ca 0.35 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.37 1iio n VAL 57 Cb 1.56 -0.84 -0.17 0.00 -1.47 0.00 0.00 33.84 32.92 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 1.41 0.70 1.34 1.43 0.99 -5.06 118.68 119.49 1iio s LEU 58 Ca 0.00 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1iio s LEU 58 Cb 0.00 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.36 1iio s LEU 58 CO 0.00 -0.16 1.08 0.42 0.23 0.00 0.00 176.35 177.93 1iio s THR 59 N 1.67 3.57 0.32 5.49 -4.23 -1.26 -4.90 115.64 116.30 1iio s THR 59 Ca 0.03 0.58 0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1iio s THR 59 Cb -0.14 -3.15 0.31 0.00 1.34 0.00 0.00 72.50 70.86 1iio s THR 59 CO -0.08 -0.60 1.77 0.00 -0.54 0.00 0.00 174.62 175.18 1iio h ALA 60 N -0.56 1.77 -0.66 3.99 0.00 -2.00 0.30 119.26 122.09 1iio h ALA 60 Ca -0.45 0.08 0.19 0.00 0.00 0.00 0.00 54.91 54.74 1iio h ALA 60 Cb 1.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1iio h ALA 60 CO 0.54 -0.15 0.60 0.22 0.00 0.00 0.00 179.25 180.46 1iio h ASP 61 N 0.69 0.00 0.00 0.00 1.82 -2.04 0.36 116.42 117.25 1iio h ASP 61 Ca 0.58 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.22 1iio h ASP 61 Cb 1.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1iio h ASP 61 CO -0.38 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 177.72 1iio n ASP 62 N -3.87 0.00 -0.02 2.28 8.00 0.11 -4.25 116.55 118.80 1iio n ASP 62 Ca 0.13 -0.73 -0.01 0.00 0.71 0.00 0.00 54.79 54.89 1iio n ASP 62 Cb 0.84 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.94 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 -0.11 -0.26 1.24 -1.00 -0.45 -3.03 116.94 113.33 1iio h PHE 63 Ca 0.00 0.01 -0.40 0.00 2.81 0.00 0.00 57.97 60.38 1iio h PHE 63 Cb 0.00 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1iio h PHE 63 CO 0.00 -0.03 1.32 -0.35 -1.61 0.00 0.00 178.31 177.64 1iio n PRO 64 N -3.04 1.30 -2.62 1.51 -0.04 -1.26 -2.69 135.00 128.16 1iio n PRO 64 Ca -0.00 -2.11 -0.38 0.00 -0.04 0.00 0.00 63.50 60.96 1iio n PRO 64 Cb 0.02 -3.44 -0.05 0.00 -0.04 0.00 0.00 33.50 29.98 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 9.81 3.60 -0.76 0.54 0.08 -1.15 -4.91 117.98 125.19 1iio s PHE 65 Ca 0.67 1.75 -0.14 0.00 0.12 0.00 0.00 56.93 59.33 1iio s PHE 65 Cb 0.04 -3.10 -0.11 0.00 -0.57 0.00 0.00 43.02 39.29 1iio s PHE 65 CO 0.15 -0.19 1.93 1.17 -0.10 0.00 0.00 175.22 178.19 1iio n LYS 66 N 0.76 1.61 -1.19 0.44 4.81 -1.26 -4.80 118.16 118.54 1iio n LYS 66 Ca 0.01 -1.56 0.14 0.00 -0.87 0.00 0.00 58.31 56.04 1iio n LYS 66 Cb 0.48 -2.64 -0.08 0.00 0.02 0.00 0.00 35.03 32.81 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1iio n SER 67 N 5.93 -6.52 0.05 3.14 7.64 -1.20 -2.38 113.62 120.28 1iio n SER 67 Ca 0.44 1.17 0.21 0.00 1.01 0.00 0.00 58.87 61.70 1iio n SER 67 Cb 0.26 -4.06 0.74 0.00 -1.01 0.00 0.00 64.21 60.13 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 -1.17 2.26 -0.64 -0.43 0.00 -1.77 0.18 119.26 117.69 1iio h ALA 68 Ca -0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1iio h ALA 68 Cb 1.14 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1iio h ALA 68 CO 0.06 -0.68 0.09 1.05 0.00 0.00 0.00 179.25 179.77 1iio h GLU 69 N 0.00 1.06 -0.40 0.00 4.11 -1.90 0.18 114.58 117.63 1iio h GLU 69 Ca 0.23 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1iio h GLU 69 Cb 1.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1iio h GLU 69 CO -0.00 0.98 -0.00 1.49 0.07 0.00 0.00 179.01 181.54 1iio h GLU 70 N 0.99 0.70 -0.46 1.06 4.57 -0.28 -2.68 114.58 118.48 1iio h GLU 70 Ca 0.19 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 1iio h GLU 70 Cb 0.44 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1iio h GLU 70 CO 0.01 0.79 -0.15 0.28 -1.18 0.00 0.00 179.01 178.77 1iio h VAL 71 N 0.53 1.27 -0.63 0.32 2.07 -1.20 0.17 116.25 118.78 1iio h VAL 71 Ca 0.11 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1iio h VAL 71 Cb 0.48 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1iio h VAL 71 CO 0.02 0.44 0.32 0.00 0.02 0.00 0.00 177.57 178.37 1iio h ALA 72 N 0.87 0.84 -0.07 1.67 0.00 -0.59 0.19 119.26 122.17 1iio h ALA 72 Ca 0.11 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1iio h ALA 72 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1iio h ALA 72 CO 0.05 -0.04 -0.23 -0.44 0.00 0.00 0.00 179.25 178.59 1iio h ASP 73 N 0.58 0.32 -0.28 0.00 5.19 -1.34 -2.74 116.42 118.15 1iio h ASP 73 Ca 0.30 -0.62 0.04 0.00 -0.62 0.00 0.00 57.03 56.12 1iio h ASP 73 Cb 0.25 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 1iio h ASP 73 CO -0.22 0.89 0.04 0.74 -3.12 0.00 0.00 179.24 177.57 1iio h THR 74 N -0.23 0.85 0.38 0.35 2.02 -0.28 0.14 112.91 116.14 1iio h THR 74 Ca -0.01 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1iio h THR 74 Cb 0.87 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1iio h THR 74 CO 0.05 0.03 -0.18 0.40 0.37 0.00 0.00 175.52 176.18 1iio h ILE 75 N 0.14 0.63 -0.79 3.11 2.04 -0.73 -1.40 117.51 120.50 1iio h ILE 75 Ca 0.13 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1iio h ILE 75 Cb 0.15 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1iio h ILE 75 CO -0.18 0.04 0.52 -0.37 0.00 0.00 0.00 178.15 178.16 1iio h VAL 76 N -0.64 1.21 0.05 1.67 -1.51 -1.38 0.70 116.25 116.34 1iio h VAL 76 Ca -0.05 -0.39 -0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1iio h VAL 76 Cb 0.47 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 1iio h VAL 76 CO 0.09 0.20 -0.03 0.78 -1.23 0.00 0.00 177.57 177.38 1iio h ASN 77 N 1.08 -0.06 -0.17 4.19 2.35 -0.59 1.00 115.58 123.38 1iio h ASN 77 Ca 0.29 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1iio h ASN 77 Cb -0.11 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1iio h ASN 77 CO -0.06 0.09 -0.45 0.11 -1.65 0.00 0.00 177.43 175.47 1iio h LYS 78 N -0.20 0.60 -0.00 0.81 1.57 -1.10 -3.23 116.57 115.01 1iio h LYS 78 Ca -0.01 -0.42 -0.08 0.00 -1.87 0.00 0.00 60.65 58.27 1iio h LYS 78 Cb 0.18 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1iio h LYS 78 CO 0.01 1.04 -0.38 0.00 -0.57 0.00 0.00 179.45 179.56 1iio h ALA 79 N 0.56 1.37 0.00 3.86 0.00 0.41 -3.47 119.26 121.99 1iio h ALA 79 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 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 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1iio n GLY 80 N -0.45 1.30 0.00 0.00 0.00 0.25 -5.04 105.19 101.26 1iio n GLY 80 Ca -0.02 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36