#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 -4.72 1.61 2.88 -1.26 -5.13 113.62 107.00 1iio n SER -2 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1iio n SER -2 Cb 0.00 0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 1iio n SER -2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1iio n HIS -1 N -1.18 2.76 0.00 0.66 -0.00 -1.26 -4.52 115.22 111.69 1iio n HIS -1 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1iio n HIS -1 Cb 0.00 -2.67 0.00 0.00 -0.00 0.00 0.00 29.99 27.32 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 3.75 0.00 -3.23 -0.41 0.00 -1.26 -5.12 117.12 110.84 1iio n MET 1 Ca 0.15 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.89 1iio n MET 1 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.53 1iio n MET 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1iio s LYS 2 N 0.00 0.04 -0.18 2.12 2.20 -1.26 -5.17 119.74 117.49 1iio s LYS 2 Ca 0.00 0.11 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 1iio s LYS 2 Cb 0.00 0.06 0.05 0.00 -1.51 0.00 0.00 37.83 36.43 1iio s LYS 2 CO 0.00 -0.01 0.45 -1.64 -0.36 0.00 0.00 175.35 173.78 1iio s MET 3 N 1.97 0.47 0.00 4.03 -1.94 -1.26 -5.10 119.30 117.47 1iio s MET 3 Ca -0.00 0.75 0.00 0.00 -1.71 0.00 0.00 55.69 54.73 1iio s MET 3 Cb -0.01 0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.94 1iio s MET 3 CO -0.16 -0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.15 1iio n GLY 4 N 3.66 -0.85 0.00 -0.03 0.00 -1.26 -4.95 105.19 101.76 1iio n GLY 4 Ca -0.19 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.03 0.15 -0.23 1.61 3.14 -1.26 -3.91 118.33 117.86 1iio n VAL 5 Ca 0.00 0.04 -0.02 0.00 -2.96 0.00 0.00 64.34 61.40 1iio n VAL 5 Cb 0.00 -0.61 0.04 0.00 -1.06 0.00 0.00 33.84 32.21 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 0.00 1.45 3.64 -1.93 0.70 116.57 120.35 1iio h LYS 6 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1iio h LYS 6 Cb 0.23 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1iio h LYS 6 CO 0.00 -0.05 -0.54 0.93 -2.27 0.00 0.00 179.45 177.51 1iio h GLU 7 N -0.08 0.00 0.16 1.90 5.08 -1.96 -2.70 114.58 116.98 1iio h GLU 7 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1iio h GLU 7 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1iio h GLU 7 CO -0.73 0.54 -0.08 0.22 -1.00 0.00 0.00 179.01 177.97 1iio h ASP 8 N 0.00 -0.19 -0.39 1.42 3.58 -0.13 0.40 116.42 121.11 1iio h ASP 8 Ca -0.01 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.12 1iio h ASP 8 Cb 1.33 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.42 1iio h ASP 8 CO 0.07 0.21 0.09 0.40 -2.88 0.00 0.00 179.24 177.14 1iio h ILE 9 N -0.62 1.23 -0.02 2.25 2.04 -0.03 -0.35 117.51 122.01 1iio h ILE 9 Ca -0.02 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1iio h ILE 9 Cb 0.46 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1iio h ILE 9 CO 0.04 0.27 0.02 -0.09 0.00 0.00 0.00 178.15 178.39 1iio h ARG 10 N 0.49 0.00 -0.58 2.37 9.65 -1.48 0.16 114.38 125.00 1iio h ARG 10 Ca 0.12 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1iio h ARG 10 Cb 0.32 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 1iio h ARG 10 CO 0.00 0.00 0.24 0.78 2.80 0.00 0.00 179.97 183.79 1iio h GLY 11 N 0.00 0.92 2.00 2.80 0.00 0.16 0.23 103.07 109.18 1iio h GLY 11 Ca 0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1iio h GLY 11 CO -0.00 0.47 -0.17 1.46 0.00 0.00 0.00 176.54 178.30 1iio h GLN 12 N 0.80 0.00 -0.03 4.80 4.20 -0.29 -2.73 115.11 121.86 1iio h GLN 12 Ca 0.19 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 1iio h GLN 12 Cb 0.19 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1iio h GLN 12 CO -0.02 0.17 -0.44 0.82 -0.67 0.00 0.00 178.83 178.69 1iio h ILE 13 N 0.00 1.45 0.20 2.54 2.04 -0.08 -1.70 117.51 121.96 1iio h ILE 13 Ca -0.00 -1.93 0.01 0.00 1.00 0.00 0.00 64.86 63.94 1iio h ILE 13 Cb 0.35 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1iio h ILE 13 CO 0.02 0.55 -0.24 0.40 0.00 0.00 0.00 178.15 178.89 1iio h ILE 14 N -0.18 0.49 -0.52 -0.67 1.08 -0.35 0.26 117.51 117.62 1iio h ILE 14 Ca -0.05 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 1iio h ILE 14 Cb 1.14 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 1iio h ILE 14 CO 0.09 0.00 0.12 1.23 -0.69 0.00 0.00 178.15 178.90 1iio h GLY 15 N -0.49 0.84 2.00 5.37 0.00 -1.61 -1.56 103.07 107.63 1iio h GLY 15 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1iio h GLY 15 CO -0.08 0.45 -0.11 0.00 0.00 0.00 0.00 176.54 176.80 1iio h ALA 16 N 1.38 1.27 0.00 3.60 0.00 -0.65 -2.37 119.26 122.48 1iio h ALA 16 Ca 0.17 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1iio h ALA 16 Cb 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1iio h ALA 16 CO -0.00 0.14 -1.28 -0.07 0.00 0.00 0.00 179.25 178.04 1iio h LEU 17 N 0.00 0.00 -9.43 0.00 3.38 0.46 -3.11 115.31 106.61 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 0.34 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.12 1iio h LEU 17 CO 0.01 0.98 1.07 0.00 0.09 0.00 0.00 178.44 180.59 1iio n ALA 18 N -2.43 1.61 0.00 1.53 0.00 -0.85 -2.77 120.51 117.61 1iio n ALA 18 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1iio n ALA 18 Cb 0.98 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 4.17 2.01 1.37 0.00 0.00 -1.26 -4.79 105.19 106.68 1iio n GLY 19 Ca 0.19 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.58 -1.00 4.61 0.00 -1.11 -4.91 120.51 116.52 1iio n ALA 20 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1iio n ALA 20 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.39 0.00 -3.29 0.00 8.00 -1.26 -4.83 116.55 112.78 1iio n ASP 21 Ca 0.04 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 1iio n ASP 21 Cb 0.18 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.57 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 -3.69 -0.69 1.24 1.16 -1.26 -4.61 117.46 109.60 1iio n PHE 22 Ca 0.00 -0.78 -0.32 0.00 -1.87 0.00 0.00 57.45 54.48 1iio n PHE 22 Cb 0.00 -1.36 -0.06 0.00 -1.61 0.00 0.00 39.48 36.46 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 -5.75 0.95 0.00 3.97 -0.04 -1.26 -3.57 135.00 129.30 1iio n PRO 23 Ca 0.13 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 1iio n PRO 23 Cb 0.60 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 -0.51 0.52 2.08 -1.26 -2.53 119.36 123.40 1iio n ILE 24 Ca 0.39 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.41 1iio n ILE 24 Cb 0.28 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.11 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 1.45 -1.43 4.38 4.13 -1.23 -3.92 115.26 118.63 1iio n ASN 25 Ca 0.00 -2.37 0.09 0.00 1.68 0.00 0.00 54.58 53.98 1iio n ASN 25 Cb 0.00 -0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 37.51 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 7.07 -7.20 -0.28 6.41 3.41 -0.93 -2.00 113.62 120.09 1iio n SER 26 Ca 0.34 1.46 0.27 0.00 -0.26 0.00 0.00 58.87 60.68 1iio n SER 26 Cb 0.27 -4.69 0.63 0.00 -0.26 0.00 0.00 64.21 60.16 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 -0.77 0.19 0.16 4.33 0.11 -1.90 -0.38 132.00 133.73 1iio h PRO 27 Ca -0.11 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.01 1iio h PRO 27 Cb 1.08 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1iio h PRO 27 CO 0.04 0.12 -0.40 0.93 -0.21 0.00 0.00 178.00 178.48 1iio h GLU 28 N 0.19 -0.64 0.18 1.05 4.39 -1.97 0.13 114.58 117.91 1iio h GLU 28 Ca 0.53 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.27 1iio h GLU 28 Cb 1.72 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 1iio h GLU 28 CO -0.13 -0.43 -0.09 1.49 -1.16 0.00 0.00 179.01 178.69 1iio h GLU 29 N -0.67 -0.23 -0.89 2.33 4.57 -0.65 -2.10 114.58 116.95 1iio h GLU 29 Ca 0.01 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 29.21 1iio h GLU 29 CO -0.21 0.06 0.44 1.37 -1.18 0.00 0.00 179.01 179.49 1iio h LEU 30 N -0.99 0.46 -1.37 1.64 8.10 -1.17 2.27 115.31 124.24 1iio h LEU 30 Ca -0.02 0.12 -0.05 0.00 0.11 0.00 0.00 57.88 58.04 1iio h LEU 30 Cb 0.41 0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.68 1iio h LEU 30 CO 0.04 0.11 -0.16 0.24 -4.11 0.00 0.00 178.44 174.57 1iio h MET 31 N 0.52 0.22 0.00 0.17 2.86 -0.82 -0.90 114.93 116.99 1iio h MET 31 Ca 0.53 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 58.06 1iio h MET 31 Cb 0.90 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1iio h MET 31 CO -0.45 0.39 -0.26 0.00 1.06 0.00 0.00 176.91 177.65 1iio h ALA 32 N 1.63 1.44 -0.08 6.32 0.00 0.44 -2.96 119.26 126.05 1iio h ALA 32 Ca 0.04 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 1iio h ALA 32 Cb 0.41 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 32 CO 0.03 0.33 -0.87 0.00 0.00 0.00 0.00 179.25 178.73 1iio h ALA 33 N 1.74 0.29 -0.66 0.00 0.00 0.81 -3.46 119.26 117.98 1iio h ALA 33 Ca -0.00 -0.64 -0.51 0.00 0.00 0.00 0.00 54.91 53.76 1iio h ALA 33 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.33 1iio h ALA 33 CO 0.03 0.71 -0.04 1.28 0.00 0.00 0.00 179.25 181.23 1iio n LEU 34 N -3.88 -0.17 -0.21 0.00 4.32 -1.01 -4.75 117.00 111.30 1iio n LEU 34 Ca -0.08 0.76 0.17 0.00 -0.02 0.00 0.00 56.01 56.84 1iio n LEU 34 Cb 0.79 -0.61 0.49 0.00 -1.62 0.00 0.00 43.42 42.47 1iio n LEU 34 CO 0.53 -1.40 1.22 1.55 -1.22 0.00 0.00 177.39 178.07 1iio h PRO 35 N 1.72 0.44 0.00 3.23 0.13 -1.90 -1.92 132.00 133.69 1iio h PRO 35 Ca -0.31 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1iio h PRO 35 Cb 0.95 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1iio h PRO 35 CO 0.42 0.29 -0.43 -2.95 -0.23 0.00 0.00 178.00 175.09 1iio h ASN 36 N 0.45 0.00 0.00 1.44 -1.07 -1.96 -3.48 115.58 110.96 1iio h ASN 36 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.79 1iio h ASN 36 Cb 0.97 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.22 1iio h ASN 36 CO -0.16 0.43 0.00 0.61 0.07 0.00 0.00 177.43 178.39 1iio n GLY 37 N 0.20 1.97 1.48 9.14 0.00 -0.72 -4.81 105.19 112.45 1iio n GLY 37 Ca -0.01 -0.66 -0.02 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 1.11 -2.56 1.61 -0.04 -1.26 -4.74 135.00 129.11 1iio n PRO 38 Ca 0.00 -0.23 -0.03 0.00 -0.04 0.00 0.00 63.50 63.20 1iio n PRO 38 Cb 0.00 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.17 -3.72 -4.76 3.54 8.00 -1.26 -4.93 116.55 114.58 1iio n ASP 39 Ca 0.04 1.29 -0.41 0.00 0.71 0.00 0.00 54.79 56.42 1iio n ASP 39 Cb 0.52 -5.00 -0.02 0.00 -0.02 0.00 0.00 41.12 36.61 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 -1.03 2.48 -0.22 -3.53 -1.32 -1.26 -4.98 115.64 105.77 1iio s THR 40 Ca -0.15 0.45 -0.16 0.00 -1.21 0.00 0.00 61.69 60.62 1iio s THR 40 Cb 0.01 -3.29 -0.04 0.00 -1.51 0.00 0.00 72.50 67.68 1iio s THR 40 CO 0.74 0.10 0.44 -0.89 -2.21 0.00 0.00 174.62 172.79 1iio s THR 41 N -0.76 5.15 -0.43 5.08 2.01 -1.26 -4.79 115.64 120.64 1iio s THR 41 Ca 0.54 0.76 -0.03 0.00 0.31 0.00 0.00 61.69 63.27 1iio s THR 41 Cb -0.43 -3.76 0.14 0.00 0.01 0.00 0.00 72.50 68.47 1iio s THR 41 CO 0.53 0.19 2.45 0.00 -0.69 0.00 0.00 174.62 177.10 1iio s LYS 43 N -1.93 3.44 -0.16 0.00 0.00 -1.26 -4.24 119.74 115.59 1iio s LYS 43 Ca 0.49 1.13 -0.08 0.00 0.00 0.00 0.00 55.97 57.51 1iio s LYS 43 Cb 0.34 -2.05 0.06 0.00 0.00 0.00 0.00 37.83 36.18 1iio s LYS 43 CO -0.14 -0.70 0.38 -1.12 0.00 0.00 0.00 175.35 173.77 1iio s SER 44 N -2.94 -0.42 0.00 0.03 0.01 0.06 -4.95 113.70 105.49 1iio s SER 44 Ca 0.62 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1iio s SER 44 Cb -0.14 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1iio s SER 44 CO 0.37 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1iio n GLY 45 N 4.41 0.71 0.22 3.44 0.00 -1.26 -2.59 105.19 110.13 1iio n GLY 45 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1iio n GLY 45 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iio n ASP 46 N 1.58 0.00 -4.72 1.61 -0.08 -1.26 -5.12 116.55 108.56 1iio n ASP 46 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 1iio n ASP 46 Cb 0.00 0.06 -0.03 0.00 2.34 0.00 0.00 41.12 43.49 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1iio s VAL 47 N -1.18 2.96 -0.10 5.18 1.01 -1.07 -5.01 120.40 122.19 1iio s VAL 47 Ca 0.00 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.70 1iio s VAL 47 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1iio s VAL 47 CO 0.00 0.06 -0.17 -1.61 0.00 0.00 0.00 175.10 173.38 1iio s GLU 48 N 0.94 3.05 -0.00 2.72 2.02 -1.26 -0.76 118.70 125.41 1iio s GLU 48 Ca 0.66 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.91 1iio s GLU 48 Cb -0.40 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1iio s GLU 48 CO 0.32 0.31 -0.02 -0.51 0.02 0.00 0.00 175.26 175.37 1iio s LEU 49 N 0.08 1.95 -0.28 1.80 2.01 -1.26 -4.89 118.68 118.10 1iio s LEU 49 Ca -0.07 -0.04 -0.36 0.00 0.01 0.00 0.00 54.13 53.67 1iio s LEU 49 Cb -0.15 -0.13 0.16 0.00 0.01 0.00 0.00 46.19 46.08 1iio s LEU 49 CO 0.05 0.02 1.35 -1.59 1.01 0.00 0.00 176.35 177.20 1iio s LYS 50 N 0.01 0.07 0.57 1.70 -2.85 -1.26 -1.13 119.74 116.85 1iio s LYS 50 Ca 0.00 -0.02 0.33 0.00 -1.00 0.00 0.00 55.97 55.29 1iio s LYS 50 Cb -0.02 0.03 1.43 0.00 -2.06 0.00 0.00 37.83 37.21 1iio s LYS 50 CO -0.00 -0.03 1.74 0.00 0.10 0.00 0.00 175.35 177.15 1iio h ALA 51 N 2.01 2.82 0.35 0.59 0.00 -1.94 0.20 119.26 123.30 1iio h ALA 51 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1iio h ALA 51 Cb 1.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1iio h ALA 51 CO 0.20 -1.32 -0.17 1.03 0.00 0.00 0.00 179.25 178.99 1iio h SER 52 N 0.00 -0.40 0.17 0.00 0.87 -1.93 -1.60 113.55 110.66 1iio h SER 52 Ca 0.45 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.02 1iio h SER 52 Cb 2.10 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 64.16 1iio h SER 52 CO -0.00 -0.03 -0.08 0.44 -0.53 0.00 0.00 176.83 176.62 1iio h ASP 53 N -1.00 -0.20 -0.11 6.23 3.32 -1.76 -3.31 116.42 119.60 1iio h ASP 53 Ca -0.05 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.52 1iio h ASP 53 Cb 0.37 0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1iio h ASP 53 CO 0.08 0.34 -0.51 0.00 -1.72 0.00 0.00 179.24 177.43 1iio h ALA 54 N -0.31 0.21 -0.30 3.45 0.00 -0.83 -3.20 119.26 118.28 1iio h ALA 54 Ca -0.02 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.47 1iio h ALA 54 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1iio h ALA 54 CO 0.04 0.40 0.62 0.78 0.00 0.00 0.00 179.25 181.09 1iio h GLY 55 N 0.14 0.00 -0.88 0.00 0.00 -1.09 -2.27 103.07 98.97 1iio h GLY 55 Ca -0.03 0.00 0.38 0.00 0.00 0.00 0.00 47.33 47.68 1iio h GLY 55 CO 0.11 0.00 0.49 0.06 0.00 0.00 0.00 176.54 177.20 1iio h GLN 56 N 0.00 0.08 -0.04 4.80 3.07 -1.63 1.01 115.11 122.39 1iio h GLN 56 Ca 0.14 -0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.82 1iio h GLN 56 Cb 1.39 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.92 1iio h GLN 56 CO -0.00 0.05 -0.27 -0.39 0.09 0.00 0.00 178.83 178.31 1iio h VAL 57 N 0.08 1.21 -2.95 1.86 -1.51 -1.68 -3.41 116.25 109.84 1iio h VAL 57 Ca 0.79 -1.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.70 1iio h VAL 57 Cb 2.00 1.48 -0.04 0.00 -2.13 0.00 0.00 31.29 32.61 1iio h VAL 57 CO -0.74 0.29 1.09 -0.76 -1.23 0.00 0.00 177.57 176.21 1iio s LEU 58 N -8.45 3.80 0.60 4.19 1.43 0.35 -5.00 118.68 115.59 1iio s LEU 58 Ca -0.04 1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 54.27 1iio s LEU 58 Cb 0.15 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 1iio s LEU 58 CO 0.72 -1.28 1.02 0.42 0.23 0.00 0.00 176.35 177.46 1iio s THR 59 N 5.18 4.59 0.33 5.49 -4.23 -1.26 -4.90 115.64 120.84 1iio s THR 59 Ca 0.66 0.96 0.12 0.00 -1.18 0.00 0.00 61.69 62.24 1iio s THR 59 Cb -0.20 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.17 1iio s THR 59 CO 0.28 -0.99 1.69 0.00 -0.54 0.00 0.00 174.62 175.07 1iio h ALA 60 N 0.00 1.86 -0.48 3.99 0.00 -1.96 0.87 119.26 123.53 1iio h ALA 60 Ca -0.45 0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.76 1iio h ALA 60 Cb 1.19 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1iio h ALA 60 CO 0.61 -0.43 0.45 0.22 0.00 0.00 0.00 179.25 180.11 1iio h ASP 61 N 0.44 0.00 0.00 0.00 3.58 -2.01 0.25 116.42 118.68 1iio h ASP 61 Ca 0.69 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.14 1iio h ASP 61 Cb 1.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1iio h ASP 61 CO -0.55 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.28 1iio n ASP 62 N -3.89 0.00 -0.21 2.28 9.92 0.30 -4.24 116.55 120.71 1iio n ASP 62 Ca 0.09 -0.73 -0.06 0.00 -0.53 0.00 0.00 54.79 53.56 1iio n ASP 62 Cb 0.65 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.08 1iio n ASP 62 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1iio n PHE 63 N -0.84 -0.22 -2.07 1.24 3.01 0.88 -2.80 117.46 116.66 1iio n PHE 63 Ca 0.09 0.63 -0.31 0.00 1.01 0.00 0.00 57.45 58.87 1iio n PHE 63 Cb 0.04 -0.53 -0.05 0.00 -0.01 0.00 0.00 39.48 38.93 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 -4.13 1.79 -2.60 -1.08 -0.04 -1.26 -2.20 135.00 125.48 1iio n PRO 64 Ca 0.01 -2.53 -0.40 0.00 -0.04 0.00 0.00 63.50 60.54 1iio n PRO 64 Cb 0.13 -3.66 -0.05 0.00 -0.04 0.00 0.00 33.50 29.88 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 9.87 3.75 -0.59 0.54 0.40 -1.12 -4.90 117.98 125.93 1iio s PHE 65 Ca 0.66 1.80 -0.09 0.00 -0.60 0.00 0.00 56.93 58.70 1iio s PHE 65 Cb 0.01 -3.15 -0.08 0.00 0.51 0.00 0.00 43.02 40.31 1iio s PHE 65 CO 0.13 -0.11 1.76 1.63 0.70 0.00 0.00 175.22 179.33 1iio n LYS 66 N 1.30 1.31 -1.12 0.44 4.01 -1.26 -4.77 118.16 118.07 1iio n LYS 66 Ca -0.01 -1.24 0.14 0.00 -0.51 0.00 0.00 58.31 56.68 1iio n LYS 66 Cb 0.46 -2.41 -0.07 0.00 -0.51 0.00 0.00 35.03 32.49 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 5.29 -6.19 -0.07 4.39 7.64 -1.18 -2.21 113.62 121.29 1iio n SER 67 Ca 0.34 1.08 0.25 0.00 1.01 0.00 0.00 58.87 61.54 1iio n SER 67 Cb 0.16 -3.81 0.72 0.00 -1.01 0.00 0.00 64.21 60.27 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 -1.10 2.57 -0.62 -0.43 0.00 -1.80 0.29 119.26 118.18 1iio h ALA 68 Ca -0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1iio h ALA 68 Cb 1.07 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1iio h ALA 68 CO 0.06 -0.91 0.07 1.05 0.00 0.00 0.00 179.25 179.52 1iio h GLU 69 N 0.00 1.03 -0.53 0.00 4.11 -1.90 -2.16 114.58 115.13 1iio h GLU 69 Ca 0.33 -0.28 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 1iio h GLU 69 Cb 1.43 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1iio h GLU 69 CO -0.00 0.97 0.20 1.49 0.07 0.00 0.00 179.01 181.73 1iio h GLU 70 N 0.96 0.81 -0.42 1.06 4.57 0.06 -2.77 114.58 118.85 1iio h GLU 70 Ca 0.19 -0.16 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1iio h GLU 70 Cb 0.46 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 1iio h GLU 70 CO 0.02 0.72 0.20 0.28 -1.18 0.00 0.00 179.01 179.05 1iio h VAL 71 N 0.73 0.96 0.12 0.32 2.07 -1.15 0.32 116.25 119.62 1iio h VAL 71 Ca 0.18 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1iio h VAL 71 Cb 0.23 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1iio h VAL 71 CO -0.01 0.08 -0.35 0.00 0.02 0.00 0.00 177.57 177.30 1iio h ALA 72 N 1.23 -0.60 -0.37 1.67 0.00 -1.19 0.32 119.26 120.32 1iio h ALA 72 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1iio h ALA 72 Cb 0.10 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1iio h ALA 72 CO -0.13 -0.90 0.04 -0.44 0.00 0.00 0.00 179.25 177.81 1iio h ASP 73 N -0.58 0.61 -0.39 0.00 5.19 -1.29 -2.71 116.42 117.25 1iio h ASP 73 Ca 0.03 -0.28 0.05 0.00 -0.62 0.00 0.00 57.03 56.21 1iio h ASP 73 Cb 0.61 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 1iio h ASP 73 CO -0.21 0.74 0.13 0.74 -3.12 0.00 0.00 179.24 177.53 1iio h THR 74 N 0.47 0.88 0.13 0.35 2.02 -0.13 -1.71 112.91 114.92 1iio h THR 74 Ca 0.11 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1iio h THR 74 Cb 0.40 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1iio h THR 74 CO 0.01 0.05 -0.06 0.40 0.37 0.00 0.00 175.52 176.29 1iio h ILE 75 N 0.29 1.02 -0.85 3.11 2.04 -0.93 -2.39 117.51 119.81 1iio h ILE 75 Ca 0.18 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.44 1iio h ILE 75 Cb 0.16 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1iio h ILE 75 CO -0.18 0.16 0.52 -0.37 0.00 0.00 0.00 178.15 178.27 1iio h VAL 76 N -0.49 1.02 0.38 1.67 -1.51 -1.42 1.01 116.25 116.91 1iio h VAL 76 Ca -0.02 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 1iio h VAL 76 Cb 0.39 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.55 1iio h VAL 76 CO 0.03 0.17 -0.18 0.78 -1.23 0.00 0.00 177.57 177.14 1iio h ASN 77 N 0.94 -0.43 -0.06 4.19 2.35 -1.32 0.67 115.58 121.92 1iio h ASN 77 Ca 0.38 -0.09 -0.23 0.00 -0.55 0.00 0.00 56.30 55.81 1iio h ASN 77 Cb 0.20 0.11 0.02 0.00 0.05 0.00 0.00 38.32 38.69 1iio h ASN 77 CO -0.18 -0.16 -0.86 0.11 -1.65 0.00 0.00 177.43 174.69 1iio h LYS 78 N -0.70 0.69 0.00 0.81 1.57 -1.27 -3.28 116.57 114.38 1iio h LYS 78 Ca -0.05 -0.66 -0.07 0.00 -1.87 0.00 0.00 60.65 57.99 1iio h LYS 78 Cb 0.49 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1iio h LYS 78 CO 0.09 1.26 -0.35 0.00 -0.57 0.00 0.00 179.45 179.87 1iio h ALA 79 N 0.45 1.42 0.00 3.86 0.00 0.98 -3.47 119.26 122.49 1iio h ALA 79 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1iio h ALA 79 Cb 1.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1iio h ALA 79 CO 0.17 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1iio n GLY 80 N -0.52 1.99 0.00 0.00 0.00 -0.61 -5.04 105.19 101.02 1iio n GLY 80 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36