#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 6.38 0.00 1.61 0.01 -1.26 -5.01 113.70 115.43 1iio s SER -2 Ca 0.00 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.17 1iio s SER -2 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1iio s SER -2 CO 0.00 -0.93 0.00 1.41 0.41 0.00 0.00 173.24 174.13 1iio n HIS -1 N 2.96 0.00 -2.84 2.43 8.25 -1.26 -4.68 115.22 120.08 1iio n HIS -1 Ca 0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.35 1iio n HIS -1 Cb 0.37 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.50 1iio n HIS -1 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1iio n MET 1 N 0.00 -4.02 -3.37 -0.41 2.00 -1.26 -4.97 117.12 105.08 1iio n MET 1 Ca 0.00 0.94 -0.36 0.00 0.00 0.00 0.00 57.70 58.28 1iio n MET 1 Cb 0.00 -5.75 -0.06 0.00 0.00 0.00 0.00 33.22 27.41 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 -5.52 4.01 0.17 0.03 2.47 -1.26 -4.99 119.74 114.64 1iio s LYS 2 Ca 0.22 0.51 0.00 0.00 -1.56 0.00 0.00 55.97 55.14 1iio s LYS 2 Cb -0.10 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.25 1iio s LYS 2 CO 0.27 0.54 0.00 -1.33 0.16 0.00 0.00 175.35 174.99 1iio n MET 3 N 1.10 0.00 0.00 4.03 2.81 -1.26 -5.09 117.12 118.71 1iio n MET 3 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1iio n MET 3 Cb 0.52 -0.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 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 2.62 1.03 0.00 3.03 0.00 -1.26 -4.97 105.19 105.63 1iio n GLY 4 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.95 -0.26 1.61 3.14 -1.26 -3.33 118.33 119.18 1iio n VAL 5 Ca 0.00 0.24 0.01 0.00 -2.96 0.00 0.00 64.34 61.63 1iio n VAL 5 Cb 0.00 -1.20 0.08 0.00 -1.06 0.00 0.00 33.84 31.66 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 -0.01 0.00 1.45 3.11 -1.93 0.78 116.57 119.96 1iio h LYS 6 Ca 0.00 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 1iio h LYS 6 Cb 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1iio h LYS 6 CO 0.00 -0.01 -0.88 0.93 -2.81 0.00 0.00 179.45 176.68 1iio h GLU 7 N -0.01 0.02 0.18 1.90 5.08 -1.93 -2.68 114.58 117.13 1iio h GLU 7 Ca 0.36 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1iio h GLU 7 Cb 0.56 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1iio h GLU 7 CO -0.79 0.89 -0.09 -0.44 -1.00 0.00 0.00 179.01 177.58 1iio h ASP 8 N 0.01 -0.21 -0.48 1.42 5.19 0.02 0.28 116.42 122.66 1iio h ASP 8 Ca -0.01 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 1iio h ASP 8 Cb 1.56 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 41.10 1iio h ASP 8 CO 0.12 0.05 0.16 0.40 -3.12 0.00 0.00 179.24 176.85 1iio h ILE 9 N -0.46 1.22 -0.04 0.35 2.04 0.10 -0.17 117.51 120.55 1iio h ILE 9 Ca -0.02 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1iio h ILE 9 Cb 0.36 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1iio h ILE 9 CO 0.04 0.26 0.05 -0.09 0.00 0.00 0.00 178.15 178.41 1iio h ARG 10 N 0.64 0.00 -0.31 2.37 9.65 -1.38 0.64 114.38 125.98 1iio h ARG 10 Ca 0.16 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.99 1iio h ARG 10 Cb 0.24 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 1iio h ARG 10 CO -0.01 0.00 0.02 0.78 2.80 0.00 0.00 179.97 183.56 1iio h GLY 11 N 0.00 0.57 2.00 2.80 0.00 0.14 0.24 103.07 108.83 1iio h GLY 11 Ca 0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1iio h GLY 11 CO -0.00 0.38 -0.21 1.46 0.00 0.00 0.00 176.54 178.17 1iio h GLN 12 N 0.34 0.00 -0.02 4.80 4.20 -0.54 -2.79 115.11 121.09 1iio h GLN 12 Ca 0.09 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 1iio h GLN 12 Cb 0.41 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.20 1iio h GLN 12 CO 0.01 0.21 -0.36 0.82 -0.67 0.00 0.00 178.83 178.84 1iio h ILE 13 N 0.00 1.47 0.00 2.54 2.04 -0.46 -1.85 117.51 121.26 1iio h ILE 13 Ca -0.00 -1.90 0.03 0.00 1.00 0.00 0.00 64.86 63.98 1iio h ILE 13 Cb 0.38 2.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 1iio h ILE 13 CO 0.03 0.54 -0.20 0.40 0.00 0.00 0.00 178.15 178.92 1iio h ILE 14 N -0.28 0.53 -0.42 -0.67 1.08 -0.36 0.26 117.51 117.64 1iio h ILE 14 Ca -0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 1iio h ILE 14 Cb 1.07 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1iio h ILE 14 CO 0.07 0.00 0.14 1.23 -0.69 0.00 0.00 178.15 178.91 1iio h GLY 15 N -0.32 0.65 2.00 5.37 0.00 -1.61 -0.99 103.07 108.18 1iio h GLY 15 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1iio h GLY 15 CO -0.18 0.31 -0.14 0.00 0.00 0.00 0.00 176.54 176.53 1iio h ALA 16 N 1.56 1.25 0.00 3.60 0.00 -0.31 -2.32 119.26 123.04 1iio h ALA 16 Ca 0.14 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1iio h ALA 16 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1iio h ALA 16 CO -0.01 0.17 -1.20 -0.07 0.00 0.00 0.00 179.25 178.14 1iio h LEU 17 N 0.00 0.00 -9.23 0.00 3.38 0.79 -3.00 115.31 107.24 1iio h LEU 17 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1iio h LEU 17 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1iio h LEU 17 CO 0.02 0.97 1.29 0.00 0.09 0.00 0.00 178.44 180.81 1iio s ALA 18 N -2.69 3.34 0.00 1.53 0.00 -0.87 -2.84 121.76 120.23 1iio s ALA 18 Ca -0.01 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1iio s ALA 18 Cb 0.09 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1iio s ALA 18 CO 0.82 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1iio n GLY 19 N 4.85 3.39 0.73 0.00 0.00 -1.26 -4.86 105.19 108.04 1iio n GLY 19 Ca 0.22 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.88 -1.00 4.61 0.00 -1.13 -4.91 120.51 117.19 1iio n ALA 20 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1iio n ALA 20 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.35 0.00 -3.29 0.00 9.92 -1.26 -4.85 116.55 114.71 1iio n ASP 21 Ca 0.02 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.97 1iio n ASP 21 Cb 0.10 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 40.88 1iio n ASP 21 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1iio s PHE 22 N 0.00 -0.95 -0.41 1.24 -0.12 -1.26 -4.63 117.98 111.85 1iio s PHE 22 Ca 0.00 0.52 -0.19 0.00 -0.05 0.00 0.00 56.93 57.22 1iio s PHE 22 Cb 0.00 -2.83 -0.19 0.00 -0.63 0.00 0.00 43.02 39.37 1iio s PHE 22 CO 0.00 -5.21 1.69 -0.35 -0.05 0.00 0.00 175.22 171.30 1iio n PRO 23 N -5.79 0.84 0.00 1.99 -0.04 -1.26 -3.58 135.00 127.17 1iio n PRO 23 Ca 0.14 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1iio n PRO 23 Cb 0.61 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 5.88 0.00 -0.52 0.52 2.08 -1.26 -2.43 119.36 123.63 1iio n ILE 24 Ca 0.40 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.45 1iio n ILE 24 Cb 0.30 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.14 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 1.79 -1.48 4.38 4.13 -1.23 -4.09 115.26 118.75 1iio n ASN 25 Ca 0.00 -2.34 0.09 0.00 1.68 0.00 0.00 54.58 54.01 1iio n ASN 25 Cb 0.00 -0.74 -0.05 0.00 -1.54 0.00 0.00 39.78 37.45 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 6.44 -7.61 -0.29 6.41 3.41 -1.08 -2.03 113.62 118.87 1iio n SER 26 Ca 0.32 1.56 0.29 0.00 -0.26 0.00 0.00 58.87 60.78 1iio n SER 26 Cb 0.22 -4.86 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 -0.67 0.14 0.14 4.33 0.11 -1.91 -0.12 132.00 134.02 1iio h PRO 27 Ca -0.10 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.02 1iio h PRO 27 Cb 1.11 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1iio h PRO 27 CO 0.04 0.09 -0.42 0.93 -0.21 0.00 0.00 178.00 178.43 1iio h GLU 28 N 0.14 -0.64 0.14 1.05 4.39 -1.98 0.13 114.58 117.81 1iio h GLU 28 Ca 0.54 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.28 1iio h GLU 28 Cb 1.86 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1iio h GLU 28 CO -0.11 -0.43 -0.07 1.49 -1.16 0.00 0.00 179.01 178.74 1iio h GLU 29 N -0.67 -0.18 -0.92 2.33 4.57 -0.60 -2.04 114.58 117.07 1iio h GLU 29 Ca 0.02 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.40 1iio h GLU 29 Cb 0.69 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.21 1iio h GLU 29 CO -0.23 0.06 0.48 1.37 -1.18 0.00 0.00 179.01 179.51 1iio h LEU 30 N -1.01 0.54 -1.16 1.64 8.10 -1.14 1.95 115.31 124.24 1iio h LEU 30 Ca -0.02 0.12 -0.08 0.00 0.11 0.00 0.00 57.88 58.01 1iio h LEU 30 Cb 0.33 0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 1iio h LEU 30 CO 0.03 0.15 -0.26 -0.03 -4.11 0.00 0.00 178.44 174.22 1iio h MET 31 N 0.58 0.26 -0.05 0.17 4.05 -0.84 -1.69 114.93 117.41 1iio h MET 31 Ca 0.54 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.81 1iio h MET 31 Cb 0.92 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 1iio h MET 31 CO -0.44 0.51 -0.29 0.00 0.23 0.00 0.00 176.91 176.92 1iio h ALA 32 N 1.50 1.43 -0.35 0.39 0.00 0.37 -2.96 119.26 119.63 1iio h ALA 32 Ca 0.04 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1iio h ALA 32 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1iio h ALA 32 CO 0.04 0.42 -0.37 0.00 0.00 0.00 0.00 179.25 179.34 1iio h ALA 33 N 1.63 0.52 -0.41 0.00 0.00 0.44 -3.46 119.26 117.98 1iio h ALA 33 Ca 0.01 -0.45 -0.34 0.00 0.00 0.00 0.00 54.91 54.14 1iio h ALA 33 Cb 0.56 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1iio h ALA 33 CO 0.04 0.61 0.09 1.28 0.00 0.00 0.00 179.25 181.27 1iio n LEU 34 N -4.11 0.13 -0.07 0.00 4.32 -1.05 -4.75 117.00 111.46 1iio n LEU 34 Ca -0.03 0.48 0.21 0.00 -0.02 0.00 0.00 56.01 56.66 1iio n LEU 34 Cb 0.53 -0.37 0.67 0.00 -1.62 0.00 0.00 43.42 42.62 1iio n LEU 34 CO 0.48 -0.67 1.21 -0.65 -1.22 0.00 0.00 177.39 176.53 1iio h PRO 35 N 1.46 0.07 0.00 3.23 0.11 -1.90 -1.53 132.00 133.43 1iio h PRO 35 Ca -0.20 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 1iio h PRO 35 Cb 0.58 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1iio h PRO 35 CO 0.30 0.05 -0.46 -0.97 -0.21 0.00 0.00 178.00 176.71 1iio h ASN 36 N 0.07 0.00 0.00 -2.05 -1.24 -1.95 -3.48 115.58 106.93 1iio h ASN 36 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.33 1iio h ASN 36 Cb 1.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.21 1iio h ASN 36 CO -0.03 0.46 0.00 0.61 -1.29 0.00 0.00 177.43 177.18 1iio n GLY 37 N 0.23 1.92 2.17 1.57 0.00 -0.58 -4.78 105.19 105.71 1iio n GLY 37 Ca -0.01 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 2.56 -2.88 1.61 -0.04 -1.26 -4.78 135.00 130.20 1iio n PRO 38 Ca 0.00 -1.59 -0.02 0.00 -0.04 0.00 0.00 63.50 61.85 1iio n PRO 38 Cb 0.00 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.22 1iio n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1iio n ASP 39 N 2.44 -5.52 -4.74 3.54 5.75 -1.26 -4.86 116.55 111.89 1iio n ASP 39 Ca 0.52 1.07 -0.42 0.00 -0.01 0.00 0.00 54.79 55.95 1iio n ASP 39 Cb 0.68 -3.57 -0.01 0.00 -1.03 0.00 0.00 41.12 37.19 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 1.55 1.24 -3.41 2.12 5.66 -1.26 -4.95 114.28 115.22 1iio n THR 40 Ca -0.12 -0.31 -0.45 0.00 -3.05 0.00 0.00 64.05 60.13 1iio n THR 40 Cb 0.30 -1.90 -0.04 0.00 -1.55 0.00 0.00 70.33 67.14 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 -0.27 5.15 -0.66 1.09 2.01 -1.26 -4.78 115.64 116.93 1iio s THR 41 Ca 0.62 -2.47 -0.05 0.00 0.31 0.00 0.00 61.69 60.11 1iio s THR 41 Cb -0.51 -4.23 -0.06 0.00 0.01 0.00 0.00 72.50 67.71 1iio s THR 41 CO 0.52 -0.98 2.03 0.00 -0.69 0.00 0.00 174.62 175.50 1iio s LYS 43 N 3.23 4.47 -1.06 0.00 -2.85 -1.26 -4.32 119.74 117.95 1iio s LYS 43 Ca 0.36 1.68 -0.21 0.00 -1.00 0.00 0.00 55.97 56.79 1iio s LYS 43 Cb 0.11 -3.38 0.07 0.00 -2.06 0.00 0.00 37.83 32.57 1iio s LYS 43 CO -0.02 -0.20 1.45 -1.54 0.10 0.00 0.00 175.35 175.13 1iio s SER 44 N 1.05 6.61 0.00 0.03 1.04 0.31 -4.65 113.70 118.08 1iio s SER 44 Ca 0.57 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1iio s SER 44 Cb -0.27 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.31 1iio s SER 44 CO 0.29 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1iio n GLY 45 N 6.27 0.62 0.99 7.32 0.00 -1.26 -2.81 105.19 116.31 1iio n GLY 45 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 1.53 0.66 -4.72 1.61 2.03 -1.26 -5.06 116.55 111.34 1iio n ASP 46 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1iio n ASP 46 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1iio s VAL 47 N -1.80 2.98 -0.09 5.18 1.01 -1.12 -5.01 120.40 121.53 1iio s VAL 47 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1iio s VAL 47 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1iio s VAL 47 CO 0.00 0.06 -0.15 -1.61 0.00 0.00 0.00 175.10 173.40 1iio s GLU 48 N 0.94 2.99 -0.07 2.72 8.01 -1.26 0.11 118.70 132.15 1iio s GLU 48 Ca 0.66 -0.72 -0.05 0.00 0.01 0.00 0.00 54.97 54.87 1iio s GLU 48 Cb -0.40 -2.49 0.03 0.00 -4.31 0.00 0.00 34.13 26.96 1iio s GLU 48 CO 0.32 0.37 0.18 -0.51 0.01 0.00 0.00 175.26 175.62 1iio s LEU 49 N -0.06 1.01 0.00 1.80 2.01 -1.26 -4.95 118.68 117.23 1iio s LEU 49 Ca -0.03 0.36 -0.15 0.00 0.01 0.00 0.00 54.13 54.31 1iio s LEU 49 Cb -0.14 0.54 0.05 0.00 0.01 0.00 0.00 46.19 46.66 1iio s LEU 49 CO 0.04 -0.10 0.72 2.29 1.01 0.00 0.00 176.35 180.31 1iio n LYS 50 N 3.55 0.30 -0.16 1.70 2.85 -1.26 -3.29 118.16 121.86 1iio n LYS 50 Ca -0.19 -0.78 -0.10 0.00 -1.05 0.00 0.00 58.31 56.19 1iio n LYS 50 Cb 0.56 1.11 -0.00 0.00 -0.65 0.00 0.00 35.03 36.04 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 0.64 0.50 0.58 0.00 -1.94 0.17 119.26 121.22 1iio h ALA 51 Ca -0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1iio h ALA 51 Cb 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1iio h ALA 51 CO 0.22 0.50 -0.24 1.03 0.00 0.00 0.00 179.25 180.76 1iio h SER 52 N 0.72 -0.57 -0.12 0.00 0.87 -1.94 0.86 113.55 113.37 1iio h SER 52 Ca 0.13 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1iio h SER 52 Cb 0.59 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1iio h SER 52 CO 0.04 -0.28 -0.34 0.44 -0.53 0.00 0.00 176.83 176.16 1iio h ASP 53 N -0.87 0.50 0.00 6.23 3.32 -1.97 -3.31 116.42 120.33 1iio h ASP 53 Ca -0.07 -0.59 -0.24 0.00 0.02 0.00 0.00 57.03 56.14 1iio h ASP 53 Cb 0.59 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1iio h ASP 53 CO 0.11 1.01 -1.33 0.00 -1.72 0.00 0.00 179.24 177.31 1iio n ALA 54 N -2.50 0.80 -0.35 3.45 0.00 0.57 -4.25 120.51 118.23 1iio n ALA 54 Ca -0.07 -0.51 0.37 0.00 0.00 0.00 0.00 53.44 53.22 1iio n ALA 54 Cb 0.50 -0.54 0.71 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.95 0.00 -1.03 0.00 0.00 0.13 -0.87 103.07 100.34 1iio h GLY 55 Ca -0.37 0.00 0.42 0.00 0.00 0.00 0.00 47.33 47.39 1iio h GLY 55 CO -0.21 0.00 0.86 0.06 0.00 0.00 0.00 176.54 177.24 1iio h GLN 56 N 0.00 0.11 -0.22 4.80 3.07 -1.60 0.86 115.11 122.13 1iio h GLN 56 Ca 0.60 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 59.27 1iio h GLN 56 Cb 2.66 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 30.18 1iio h GLN 56 CO -0.01 0.07 -0.16 -0.39 0.09 0.00 0.00 178.83 178.43 1iio h VAL 57 N 0.11 1.22 -2.63 1.86 -1.51 -1.45 -3.43 116.25 110.42 1iio h VAL 57 Ca 0.80 -0.99 -0.53 0.00 -1.23 0.00 0.00 66.70 64.74 1iio h VAL 57 Cb 2.51 1.24 0.02 0.00 -2.13 0.00 0.00 31.29 32.93 1iio h VAL 57 CO -0.38 0.31 1.04 -0.76 -1.23 0.00 0.00 177.57 176.56 1iio s LEU 58 N -8.75 4.37 0.61 4.19 1.43 0.30 -4.98 118.68 115.86 1iio s LEU 58 Ca -0.06 2.52 -0.15 0.00 -1.03 0.00 0.00 54.13 55.42 1iio s LEU 58 Cb 0.15 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1iio s LEU 58 CO 0.76 -0.92 1.05 0.42 0.23 0.00 0.00 176.35 177.88 1iio s THR 59 N 2.92 3.95 0.28 5.49 -4.23 -1.26 -4.91 115.64 117.88 1iio s THR 59 Ca 0.76 0.85 0.03 0.00 -1.18 0.00 0.00 61.69 62.15 1iio s THR 59 Cb -0.40 -3.43 0.27 0.00 1.34 0.00 0.00 72.50 70.28 1iio s THR 59 CO 0.33 -0.61 1.76 0.00 -0.54 0.00 0.00 174.62 175.56 1iio h ALA 60 N 0.23 1.48 -0.05 3.99 0.00 -1.96 0.42 119.26 123.37 1iio h ALA 60 Ca -0.46 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1iio h ALA 60 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1iio h ALA 60 CO 0.58 -0.11 0.15 -0.44 0.00 0.00 0.00 179.25 179.43 1iio h ASP 61 N 0.66 0.00 0.00 0.00 5.19 -2.02 -1.44 116.42 118.80 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 0.82 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1iio h ASP 61 CO -0.39 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.20 1iio n ASP 62 N -3.26 0.00 -0.11 6.45 8.00 0.15 -4.20 116.55 123.58 1iio n ASP 62 Ca -0.01 -0.61 -0.04 0.00 0.71 0.00 0.00 54.79 54.84 1iio n ASP 62 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.62 -0.22 1.24 -1.00 -1.43 -3.00 116.94 111.91 1iio h PHE 63 Ca 0.00 0.04 -0.49 0.00 2.81 0.00 0.00 57.97 60.33 1iio h PHE 63 Cb 0.00 0.30 0.01 0.00 3.61 0.00 0.00 35.95 39.88 1iio h PHE 63 CO 0.00 -0.14 1.65 -0.35 -1.61 0.00 0.00 178.31 177.86 1iio n PRO 64 N -3.71 1.46 -2.62 1.51 -0.04 -1.26 -2.63 135.00 127.72 1iio n PRO 64 Ca 0.00 -2.10 -0.38 0.00 -0.04 0.00 0.00 63.50 60.98 1iio n PRO 64 Cb 0.09 -3.30 -0.05 0.00 -0.04 0.00 0.00 33.50 30.21 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 8.13 3.58 -0.64 0.54 0.08 -1.14 -4.91 117.98 123.64 1iio s PHE 65 Ca 0.63 1.74 -0.24 0.00 0.12 0.00 0.00 56.93 59.19 1iio s PHE 65 Cb 0.07 -3.10 -0.20 0.00 -0.57 0.00 0.00 43.02 39.22 1iio s PHE 65 CO 0.14 -0.22 1.86 1.63 -0.10 0.00 0.00 175.22 178.54 1iio n LYS 66 N 0.70 1.20 -1.41 0.44 4.76 -1.26 -4.77 118.16 117.82 1iio n LYS 66 Ca 0.01 -1.70 0.17 0.00 -2.87 0.00 0.00 58.31 53.92 1iio n LYS 66 Cb 0.48 -2.88 -0.09 0.00 -1.84 0.00 0.00 35.03 30.70 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1iio n SER 67 N 8.18 -7.49 -0.02 4.39 7.64 -1.21 -2.61 113.62 122.50 1iio n SER 67 Ca 0.49 1.37 0.24 0.00 1.01 0.00 0.00 58.87 61.97 1iio n SER 67 Cb 0.41 -4.83 0.72 0.00 -1.01 0.00 0.00 64.21 59.50 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 2.43 -0.21 -0.43 0.00 -1.78 -1.31 119.26 116.54 1iio h ALA 68 Ca -0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 68 Cb 1.32 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1iio h ALA 68 CO 0.07 -0.87 0.10 1.05 0.00 0.00 0.00 179.25 179.60 1iio h GLU 69 N 0.00 0.20 -0.07 0.00 4.11 -1.90 0.69 114.58 117.61 1iio h GLU 69 Ca 0.29 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.52 1iio h GLU 69 Cb 1.40 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1iio h GLU 69 CO -0.00 0.13 -0.76 1.05 0.07 0.00 0.00 179.01 179.50 1iio h GLU 70 N 0.21 0.42 -0.57 1.06 4.11 -0.99 -2.85 114.58 115.97 1iio h GLU 70 Ca 0.09 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.13 1iio h GLU 70 Cb 0.03 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1iio h GLU 70 CO -0.06 1.00 0.24 0.28 0.07 0.00 0.00 179.01 180.53 1iio h VAL 71 N 0.28 1.20 0.54 -1.06 2.07 -1.25 0.30 116.25 118.32 1iio h VAL 71 Ca -0.04 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1iio h VAL 71 Cb 1.34 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1iio h VAL 71 CO 0.13 0.24 -0.26 0.00 0.02 0.00 0.00 177.57 177.70 1iio h ALA 72 N 1.46 -0.73 -0.60 1.67 0.00 -0.78 -2.43 119.26 117.86 1iio h ALA 72 Ca 0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1iio h ALA 72 Cb 0.13 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1iio h ALA 72 CO -0.02 -0.76 0.20 -0.44 0.00 0.00 0.00 179.25 178.23 1iio h ASP 73 N -1.03 0.87 -0.37 0.00 5.19 -1.42 -2.79 116.42 116.86 1iio h ASP 73 Ca -0.07 -0.20 0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1iio h ASP 73 Cb 0.63 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 1iio h ASP 73 CO 0.12 0.84 0.05 0.74 -3.12 0.00 0.00 179.24 177.87 1iio h THR 74 N 0.85 0.78 0.04 0.35 2.02 -0.47 -2.37 112.91 114.12 1iio h THR 74 Ca 0.19 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1iio h THR 74 Cb 0.27 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1iio h THR 74 CO -0.01 0.03 -0.02 0.40 0.37 0.00 0.00 175.52 176.29 1iio h ILE 75 N 0.17 1.12 -0.97 3.11 2.04 -1.36 -2.74 117.51 118.88 1iio h ILE 75 Ca 0.18 -0.49 0.19 0.00 1.00 0.00 0.00 64.86 65.74 1iio h ILE 75 Cb 0.22 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 1iio h ILE 75 CO -0.26 0.13 0.61 -0.37 0.00 0.00 0.00 178.15 178.26 1iio h VAL 76 N -0.27 0.71 0.15 1.67 -1.51 -1.33 0.87 116.25 116.55 1iio h VAL 76 Ca -0.01 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 65.23 1iio h VAL 76 Cb 0.25 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.41 1iio h VAL 76 CO 0.01 0.12 -0.07 0.78 -1.23 0.00 0.00 177.57 177.17 1iio h ASN 77 N 0.65 -0.17 -0.27 4.19 2.35 -1.27 0.95 115.58 122.01 1iio h ASN 77 Ca 0.53 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.99 1iio h ASN 77 Cb 0.97 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 1iio h ASN 77 CO -0.29 0.06 -0.38 0.11 -1.65 0.00 0.00 177.43 175.27 1iio h LYS 78 N -0.40 0.73 0.00 0.81 1.57 -1.01 -3.18 116.57 115.10 1iio h LYS 78 Ca -0.02 -0.43 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 1iio h LYS 78 Cb 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1iio h LYS 78 CO 0.03 1.05 -0.37 0.00 -0.57 0.00 0.00 179.45 179.60 1iio h ALA 79 N 0.67 1.38 0.00 3.86 0.00 0.71 -3.47 119.26 122.41 1iio h ALA 79 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1iio h ALA 79 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1iio h ALA 79 CO 0.09 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1iio n GLY 80 N -0.46 1.94 0.00 0.00 0.00 0.05 -5.05 105.19 101.67 1iio n GLY 80 Ca -0.02 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36