#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 -4.74 1.61 2.88 -1.26 -4.87 113.62 107.24 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 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1iio n SER -2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1iio s HIS -1 N 0.00 2.90 0.47 0.66 4.02 -1.26 -4.94 115.29 117.14 1iio s HIS -1 Ca 0.00 0.69 -0.24 0.00 1.02 0.00 0.00 55.06 56.53 1iio s HIS -1 Cb 0.00 -4.01 -0.07 0.00 -1.02 0.00 0.00 32.58 27.48 1iio s HIS -1 CO 0.00 -3.56 1.33 0.00 1.02 0.00 0.00 174.74 173.53 1iio s MET 1 N 0.25 3.61 0.00 1.40 0.00 -1.26 -4.85 119.30 118.45 1iio s MET 1 Ca 0.67 2.19 0.00 0.00 0.00 0.00 0.00 55.69 58.55 1iio s MET 1 Cb -0.46 -2.53 0.00 0.00 0.00 0.00 0.00 34.83 31.84 1iio s MET 1 CO 0.40 -0.80 0.00 1.17 0.00 0.00 0.00 175.02 175.79 1iio n LYS 2 N -0.40 0.00 -1.72 3.16 4.81 -1.26 -5.12 118.16 117.63 1iio n LYS 2 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1iio n LYS 2 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 1iio n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iio n MET 3 N 0.00 -2.56 0.00 1.64 0.00 -1.26 -5.05 117.12 109.88 1iio n MET 3 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 57.70 59.54 1iio n MET 3 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 30.93 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 0.74 -0.82 0.00 3.17 0.00 -1.26 -4.95 105.19 102.08 1iio n GLY 4 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 0.52 -0.24 1.61 3.14 -1.26 -3.56 118.33 118.54 1iio n VAL 5 Ca 0.00 0.13 -0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1iio n VAL 5 Cb 0.00 -0.83 0.07 0.00 -1.06 0.00 0.00 33.84 32.01 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 -0.03 0.00 1.45 3.64 -1.96 0.70 116.57 120.38 1iio h LYS 6 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1iio h LYS 6 Cb 0.19 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1iio h LYS 6 CO 0.00 -0.02 -0.70 0.93 -2.27 0.00 0.00 179.45 177.39 1iio h GLU 7 N -0.03 0.00 0.17 1.90 5.08 -1.97 -2.38 114.58 117.36 1iio h GLU 7 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1iio h GLU 7 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1iio h GLU 7 CO -0.72 0.70 -0.08 0.22 -1.00 0.00 0.00 179.01 178.12 1iio h ASP 8 N 0.00 -0.19 -0.17 1.42 3.58 -0.03 0.29 116.42 121.32 1iio h ASP 8 Ca -0.01 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.13 1iio h ASP 8 Cb 1.44 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.54 1iio h ASP 8 CO 0.09 0.16 -0.15 0.40 -2.88 0.00 0.00 179.24 176.86 1iio h ILE 9 N -0.58 1.34 -0.58 2.25 2.04 -0.09 -2.31 117.51 119.58 1iio h ILE 9 Ca -0.02 -1.30 0.13 0.00 1.00 0.00 0.00 64.86 64.67 1iio h ILE 9 Cb 0.43 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1iio h ILE 9 CO 0.04 0.39 0.40 -0.09 0.00 0.00 0.00 178.15 178.89 1iio h ARG 10 N 0.04 0.20 -0.54 2.37 1.12 -1.47 0.56 114.38 116.66 1iio h ARG 10 Ca 0.03 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.86 1iio h ARG 10 Cb 0.68 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.57 1iio h ARG 10 CO 0.04 0.13 0.22 0.78 -3.11 0.00 0.00 179.97 178.03 1iio h GLY 11 N 0.20 0.86 2.00 2.80 0.00 0.11 0.08 103.07 109.13 1iio h GLY 11 Ca 0.28 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1iio h GLY 11 CO -0.05 0.44 -0.17 1.46 0.00 0.00 0.00 176.54 178.22 1iio h GLN 12 N 0.73 0.00 -0.28 4.80 4.20 0.46 -2.43 115.11 122.59 1iio h GLN 12 Ca 0.18 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 1iio h GLN 12 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1iio h GLN 12 CO -0.02 0.17 -0.33 0.82 -0.67 0.00 0.00 178.83 178.80 1iio h ILE 13 N 0.00 1.30 0.18 2.54 2.04 0.65 0.18 117.51 124.41 1iio h ILE 13 Ca -0.00 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1iio h ILE 13 Cb 0.30 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1iio h ILE 13 CO 0.02 0.48 -0.18 0.40 0.00 0.00 0.00 178.15 178.87 1iio h ILE 14 N 0.45 0.60 -0.44 -0.67 1.08 -0.57 0.25 117.51 118.21 1iio h ILE 14 Ca 0.04 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.40 1iio h ILE 14 Cb 0.91 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1iio h ILE 14 CO 0.08 0.00 -0.18 1.23 -0.69 0.00 0.00 178.15 178.59 1iio h GLY 15 N -0.40 0.91 2.00 5.37 0.00 -1.53 -2.13 103.07 107.29 1iio h GLY 15 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1iio h GLY 15 CO -0.05 0.68 -0.07 0.00 0.00 0.00 0.00 176.54 177.10 1iio h ALA 16 N 1.06 1.71 0.00 3.60 0.00 -0.23 -1.78 119.26 123.63 1iio h ALA 16 Ca 0.11 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 16 Cb 0.70 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1iio h ALA 16 CO 0.05 0.09 -1.20 -0.07 0.00 0.00 0.00 179.25 178.12 1iio h LEU 17 N 0.00 0.00 -9.64 0.00 3.38 -0.13 -3.01 115.31 105.91 1iio h LEU 17 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1iio h LEU 17 Cb 0.15 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.95 1iio h LEU 17 CO 0.01 0.96 0.99 0.00 0.09 0.00 0.00 178.44 180.48 1iio s ALA 18 N -2.70 3.90 0.00 1.53 0.00 -0.67 -2.91 121.76 120.91 1iio s ALA 18 Ca -0.01 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1iio s ALA 18 Cb 0.09 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1iio s ALA 18 CO 0.82 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1iio n GLY 19 N 3.94 1.53 1.31 0.00 0.00 -1.26 -4.75 105.19 105.95 1iio n GLY 19 Ca 0.16 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.48 -1.00 4.61 0.00 -1.15 -4.94 120.51 116.55 1iio n ALA 20 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 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 -2.27 0.00 -3.24 0.00 8.00 -1.26 -4.83 116.55 112.95 1iio n ASP 21 Ca 0.04 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.23 1iio n ASP 21 Cb 0.17 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.84 -0.69 1.24 1.16 -1.26 -4.62 117.46 109.45 1iio n PHE 22 Ca 0.00 -0.84 -0.31 0.00 -1.87 0.00 0.00 57.45 54.43 1iio n PHE 22 Cb 0.00 -1.26 -0.05 0.00 -1.61 0.00 0.00 39.48 36.56 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 -5.83 0.99 0.00 3.97 -0.04 -1.26 -3.61 135.00 129.22 1iio n PRO 23 Ca 0.14 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1iio n PRO 23 Cb 0.61 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 5.66 0.00 -0.49 0.52 2.08 -1.26 -2.55 119.36 123.31 1iio n ILE 24 Ca 0.39 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.38 1iio n ILE 24 Cb 0.27 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.09 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 1.26 -1.46 4.38 4.13 -1.24 -4.06 115.26 118.28 1iio n ASN 25 Ca 0.00 -2.39 0.06 0.00 1.68 0.00 0.00 54.58 53.93 1iio n ASN 25 Cb 0.00 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 37.57 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 7.43 -7.26 -0.31 6.41 3.41 -0.98 -1.97 113.62 120.36 1iio n SER 26 Ca 0.36 1.51 0.29 0.00 -0.26 0.00 0.00 58.87 60.77 1iio n SER 26 Cb 0.29 -4.69 0.64 0.00 -0.26 0.00 0.00 64.21 60.20 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 -0.50 0.16 0.07 4.33 0.11 -1.90 -0.99 132.00 133.28 1iio h PRO 27 Ca -0.08 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1iio h PRO 27 Cb 1.01 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.04 1iio h PRO 27 CO 0.03 0.11 -0.42 0.93 -0.21 0.00 0.00 178.00 178.44 1iio h GLU 28 N 0.17 -0.59 0.21 1.05 5.08 -1.98 0.21 114.58 118.73 1iio h GLU 28 Ca 0.57 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.96 1iio h GLU 28 Cb 1.90 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1iio h GLU 28 CO -0.14 -0.40 -0.10 1.49 -1.00 0.00 0.00 179.01 178.86 1iio h GLU 29 N -0.62 -0.28 -0.98 2.33 4.57 -0.57 -2.23 114.58 116.80 1iio h GLU 29 Ca 0.03 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.43 1iio h GLU 29 Cb 0.66 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.21 1iio h GLU 29 CO -0.27 -0.03 0.58 1.37 -1.18 0.00 0.00 179.01 179.48 1iio h LEU 30 N -1.02 0.72 -1.34 1.64 8.10 -1.32 1.80 115.31 123.88 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 0.37 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1iio h LEU 30 CO 0.05 0.22 -0.05 -0.03 -4.11 0.00 0.00 178.44 174.52 1iio h MET 31 N 0.69 0.38 0.00 0.17 4.05 -0.67 -0.82 114.93 118.74 1iio h MET 31 Ca 0.58 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.91 1iio h MET 31 Cb 0.95 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.69 1iio h MET 31 CO -0.41 0.45 -0.04 0.00 0.23 0.00 0.00 176.91 177.15 1iio h ALA 32 N 1.59 0.99 0.00 0.39 0.00 0.32 -2.51 119.26 120.03 1iio h ALA 32 Ca 0.08 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1iio h ALA 32 Cb 0.33 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1iio h ALA 32 CO 0.01 0.05 -0.74 0.00 0.00 0.00 0.00 179.25 178.57 1iio h ALA 33 N 1.96 0.09 -0.68 0.00 0.00 0.10 -3.43 119.26 117.30 1iio h ALA 33 Ca -0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 54.91 54.05 1iio h ALA 33 Cb 0.80 0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.70 1iio h ALA 33 CO 0.00 0.46 -0.39 1.28 0.00 0.00 0.00 179.25 180.60 1iio n LEU 34 N -4.10 -1.18 -0.22 0.00 4.32 -1.05 -4.66 117.00 110.11 1iio n LEU 34 Ca -0.11 0.32 -0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1iio n LEU 34 Cb 0.74 -0.35 0.07 0.00 -1.62 0.00 0.00 43.42 42.26 1iio n LEU 34 CO 0.50 -1.70 0.74 -0.65 -1.22 0.00 0.00 177.39 175.06 1iio h PRO 35 N 0.11 0.01 0.00 3.23 0.11 -1.89 -0.39 132.00 133.17 1iio h PRO 35 Ca -0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1iio h PRO 35 Cb 0.58 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1iio h PRO 35 CO 0.18 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.25 1iio n ASN 36 N -5.43 0.61 0.00 -2.05 2.04 -1.26 -4.95 115.26 104.22 1iio n ASN 36 Ca 0.08 0.63 0.00 0.00 -0.44 0.00 0.00 54.58 54.85 1iio n ASN 36 Cb 0.34 -0.76 0.00 0.00 -2.53 0.00 0.00 39.78 36.82 1iio n ASN 36 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1iio n GLY 37 N 0.31 1.98 1.85 4.83 0.00 -0.16 -4.83 105.19 109.17 1iio n GLY 37 Ca 0.03 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 1.63 -2.55 1.61 -0.04 -1.26 -4.36 135.00 130.02 1iio n PRO 38 Ca 0.00 -0.96 -0.03 0.00 -0.04 0.00 0.00 63.50 62.47 1iio n PRO 38 Cb 0.00 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 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 1.32 -3.08 -4.73 3.54 2.03 -0.95 -4.92 116.55 109.76 1iio n ASP 39 Ca 0.24 1.28 -0.42 0.00 0.52 0.00 0.00 54.79 56.41 1iio n ASP 39 Cb 0.62 -4.97 -0.03 0.00 -0.72 0.00 0.00 41.12 36.02 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 3.35 -0.09 5.18 -1.32 -1.26 -4.96 115.64 115.59 1iio s THR 40 Ca -0.17 1.05 -0.30 0.00 -1.21 0.00 0.00 61.69 61.07 1iio s THR 40 Cb 0.01 -3.67 -0.02 0.00 -1.51 0.00 0.00 72.50 67.30 1iio s THR 40 CO 0.73 0.13 1.18 -0.89 -2.21 0.00 0.00 174.62 173.56 1iio s THR 41 N 0.49 4.34 -0.39 5.08 2.01 -1.26 -4.84 115.64 121.07 1iio s THR 41 Ca 0.59 1.65 -0.02 0.00 0.31 0.00 0.00 61.69 64.22 1iio s THR 41 Cb -0.36 -4.06 0.15 0.00 0.01 0.00 0.00 72.50 68.24 1iio s THR 41 CO 0.35 -0.03 2.38 0.00 -0.69 0.00 0.00 174.62 176.63 1iio s LYS 43 N -1.84 3.93 -0.12 0.00 -2.85 -1.26 -4.17 119.74 113.43 1iio s LYS 43 Ca 0.46 1.35 -0.06 0.00 -1.00 0.00 0.00 55.97 56.72 1iio s LYS 43 Cb 0.32 -2.19 0.05 0.00 -2.06 0.00 0.00 37.83 33.95 1iio s LYS 43 CO -0.10 -0.32 0.27 -1.12 0.10 0.00 0.00 175.35 174.17 1iio s SER 44 N -1.93 -0.20 0.00 0.03 0.01 0.29 -4.93 113.70 106.96 1iio s SER 44 Ca 0.65 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1iio s SER 44 Cb -0.16 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1iio s SER 44 CO 0.20 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1iio n GLY 45 N 4.41 0.81 0.00 3.44 0.00 -1.26 -2.63 105.19 109.96 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 2.09 0.00 0.00 0.00 173.32 175.41 1iio n ASP 46 N 1.68 0.00 -4.76 1.61 5.68 -1.26 -5.13 116.55 114.37 1iio n ASP 46 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 1iio n ASP 46 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1iio s VAL 47 N -0.98 2.76 -0.05 2.12 1.01 -1.08 -5.03 120.40 119.15 1iio s VAL 47 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.75 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 0.15 -0.22 -1.61 0.00 0.00 0.00 175.10 173.42 1iio s GLU 48 N -1.19 2.24 -0.02 2.72 2.02 -1.26 -0.54 118.70 122.66 1iio s GLU 48 Ca 0.53 -0.78 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 1iio s GLU 48 Cb -0.40 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 31.93 1iio s GLU 48 CO 0.48 0.33 0.04 -0.51 0.02 0.00 0.00 175.26 175.61 1iio s LEU 49 N -0.08 1.71 -0.07 1.80 2.01 -1.26 -4.91 118.68 117.88 1iio s LEU 49 Ca -0.04 0.07 -0.32 0.00 0.01 0.00 0.00 54.13 53.85 1iio s LEU 49 Cb -0.13 0.09 0.12 0.00 0.01 0.00 0.00 46.19 46.28 1iio s LEU 49 CO 0.03 -0.04 1.23 -1.59 1.01 0.00 0.00 176.35 177.00 1iio s LYS 50 N 0.23 0.42 0.32 1.70 -2.85 -1.26 -0.58 119.74 117.72 1iio s LYS 50 Ca -0.02 -0.21 0.09 0.00 -1.00 0.00 0.00 55.97 54.84 1iio s LYS 50 Cb -0.03 0.16 0.89 0.00 -2.06 0.00 0.00 37.83 36.79 1iio s LYS 50 CO -0.01 -0.19 1.71 0.00 0.10 0.00 0.00 175.35 176.97 1iio h ALA 51 N 2.00 1.75 -0.16 0.59 0.00 -1.93 0.27 119.26 121.79 1iio h ALA 51 Ca -0.22 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1iio h ALA 51 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1iio h ALA 51 CO 0.26 -0.33 -0.40 1.03 0.00 0.00 0.00 179.25 179.82 1iio h SER 52 N 0.51 0.62 0.23 0.00 0.87 -1.93 0.41 113.55 114.25 1iio h SER 52 Ca 0.64 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1iio h SER 52 Cb 1.27 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1iio h SER 52 CO -0.51 1.08 -0.11 -0.78 -0.53 0.00 0.00 176.83 175.99 1iio h ASP 53 N 0.18 -0.26 0.02 6.23 3.58 -1.55 -3.33 116.42 121.28 1iio h ASP 53 Ca -0.01 -0.26 -0.38 0.00 0.42 0.00 0.00 57.03 56.80 1iio h ASP 53 Cb 1.01 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.07 1iio h ASP 53 CO 0.09 0.18 -2.17 0.00 -2.88 0.00 0.00 179.24 174.45 1iio n ALA 54 N -2.49 1.12 -0.50 -0.78 0.00 0.81 -4.39 120.51 114.28 1iio n ALA 54 Ca -0.09 -0.89 0.43 0.00 0.00 0.00 0.00 53.44 52.89 1iio n ALA 54 Cb 0.26 -0.21 0.79 0.00 0.00 0.00 0.00 19.45 20.29 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 0.12 0.01 0.40 0.00 0.00 -0.08 0.36 103.07 103.88 1iio h GLY 55 Ca -0.55 -0.00 0.22 0.00 0.00 0.00 0.00 47.33 46.99 1iio h GLY 55 CO -0.21 -0.00 0.59 0.06 0.00 0.00 0.00 176.54 176.98 1iio h GLN 56 N 0.00 0.00 -1.05 4.80 3.07 -1.59 -0.43 115.11 119.92 1iio h GLN 56 Ca 0.73 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.47 1iio h GLN 56 Cb 2.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.50 1iio h GLN 56 CO -0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.83 180.24 1iio n VAL 57 N -4.12 0.70 -4.45 1.86 0.24 0.13 -4.73 118.33 107.96 1iio n VAL 57 Ca 0.15 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.17 1iio n VAL 57 Cb 0.87 -0.84 -0.17 0.00 -1.47 0.00 0.00 33.84 32.23 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 1.69 0.70 1.34 1.43 -0.17 -5.07 118.68 118.59 1iio s LEU 58 Ca 0.00 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1iio s LEU 58 Cb 0.00 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.19 1iio s LEU 58 CO 0.00 0.01 1.13 0.42 0.23 0.00 0.00 176.35 178.14 1iio s THR 59 N 0.99 3.01 0.27 5.49 -4.23 -1.26 -4.90 115.64 115.01 1iio s THR 59 Ca -0.07 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1iio s THR 59 Cb -0.15 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.00 1iio s THR 59 CO -0.01 -0.31 1.81 0.00 -0.54 0.00 0.00 174.62 175.57 1iio h ALA 60 N -0.28 1.42 -0.11 3.99 0.00 -2.00 0.18 119.26 122.46 1iio h ALA 60 Ca -0.46 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1iio h ALA 60 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1iio h ALA 60 CO 0.52 0.13 0.27 -0.44 0.00 0.00 0.00 179.25 179.73 1iio h ASP 61 N 0.88 0.00 0.00 0.00 3.32 -2.04 -0.79 116.42 117.79 1iio h ASP 61 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1iio h ASP 61 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1iio h ASP 61 CO -0.29 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.70 1iio n ASP 62 N -3.26 0.00 -0.18 6.45 8.00 0.63 -4.18 116.55 124.01 1iio n ASP 62 Ca 0.00 -0.55 -0.06 0.00 0.71 0.00 0.00 54.79 54.90 1iio n ASP 62 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.91 -0.36 1.24 -1.00 -1.32 -3.02 116.94 111.57 1iio h PHE 63 Ca 0.00 0.06 -0.47 0.00 2.81 0.00 0.00 57.97 60.37 1iio h PHE 63 Cb 0.00 0.45 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1iio h PHE 63 CO 0.00 -0.19 1.61 -0.35 -1.61 0.00 0.00 178.31 177.77 1iio n PRO 64 N -4.08 1.78 -2.62 1.51 -0.04 -1.26 -2.32 135.00 127.97 1iio n PRO 64 Ca 0.00 -2.38 -0.38 0.00 -0.04 0.00 0.00 63.50 60.71 1iio n PRO 64 Cb 0.13 -3.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.09 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 8.35 3.57 -0.60 0.54 0.08 -1.14 -4.91 117.98 123.87 1iio s PHE 65 Ca 0.63 1.74 -0.21 0.00 0.12 0.00 0.00 56.93 59.20 1iio s PHE 65 Cb 0.05 -3.09 -0.19 0.00 -0.57 0.00 0.00 43.02 39.22 1iio s PHE 65 CO 0.12 -0.21 1.84 1.63 -0.10 0.00 0.00 175.22 178.50 1iio n LYS 66 N 0.64 1.20 -1.43 0.44 4.01 -1.26 -4.78 118.16 116.99 1iio n LYS 66 Ca 0.02 -1.59 0.17 0.00 -0.51 0.00 0.00 58.31 56.40 1iio n LYS 66 Cb 0.48 -2.75 -0.09 0.00 -0.51 0.00 0.00 35.03 32.16 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 7.37 -7.66 -0.17 4.39 7.64 -1.19 -2.56 113.62 121.43 1iio n SER 67 Ca 0.47 1.37 0.26 0.00 1.01 0.00 0.00 58.87 61.98 1iio n SER 67 Cb 0.37 -4.87 0.68 0.00 -1.01 0.00 0.00 64.21 59.37 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 -1.44 2.69 -0.42 -0.43 0.00 -1.80 -1.09 119.26 116.77 1iio h ALA 68 Ca -0.18 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1iio h ALA 68 Cb 1.34 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1iio h ALA 68 CO 0.07 -0.94 0.23 1.05 0.00 0.00 0.00 179.25 179.67 1iio h GLU 69 N 0.08 0.45 -0.23 0.00 4.11 -1.91 0.15 114.58 117.22 1iio h GLU 69 Ca 0.41 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.65 1iio h GLU 69 Cb 1.53 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1iio h GLU 69 CO -0.04 0.30 -0.53 1.05 0.07 0.00 0.00 179.01 179.87 1iio h GLU 70 N 0.47 0.68 -0.22 1.06 -0.00 -0.93 -2.83 114.58 112.80 1iio h GLU 70 Ca 0.17 -0.42 -0.01 0.00 -0.00 0.00 0.00 59.36 59.11 1iio h GLU 70 Cb 0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 28.83 1iio h GLU 70 CO -0.10 1.04 0.10 0.28 -0.00 0.00 0.00 179.01 180.33 1iio h VAL 71 N 0.53 1.15 -0.30 -1.06 2.07 -1.19 0.97 116.25 118.42 1iio h VAL 71 Ca 0.02 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1iio h VAL 71 Cb 1.09 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1iio h VAL 71 CO 0.11 0.15 0.06 0.00 0.02 0.00 0.00 177.57 177.91 1iio h ALA 72 N 0.96 0.32 -0.31 1.67 0.00 -0.71 0.21 119.26 121.38 1iio h ALA 72 Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1iio h ALA 72 Cb 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1iio h ALA 72 CO -0.01 -0.34 0.03 -0.44 0.00 0.00 0.00 179.25 178.49 1iio h ASP 73 N 0.18 0.51 -0.54 0.00 5.19 -1.37 -2.77 116.42 117.61 1iio h ASP 73 Ca 0.14 -0.28 0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1iio h ASP 73 Cb 0.14 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 1iio h ASP 73 CO -0.18 0.66 0.36 0.74 -3.12 0.00 0.00 179.24 177.70 1iio h THR 74 N 0.34 1.13 -0.00 0.35 2.02 -0.45 -2.23 112.91 114.07 1iio h THR 74 Ca 0.09 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1iio h THR 74 Cb 0.38 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1iio h THR 74 CO 0.01 0.13 -0.11 0.40 0.37 0.00 0.00 175.52 176.33 1iio h ILE 75 N 0.73 0.73 -0.70 3.11 2.04 -0.54 -2.25 117.51 120.63 1iio h ILE 75 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1iio h ILE 75 Cb -0.07 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1iio h ILE 75 CO -0.05 0.00 0.45 -0.37 0.00 0.00 0.00 178.15 178.18 1iio h VAL 76 N -0.18 1.19 0.69 1.67 -1.51 -1.34 0.17 116.25 116.94 1iio h VAL 76 Ca 0.04 -0.38 -0.03 0.00 -1.23 0.00 0.00 66.70 65.10 1iio h VAL 76 Cb 0.23 0.17 0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1iio h VAL 76 CO -0.11 0.19 -0.33 0.78 -1.23 0.00 0.00 177.57 176.87 1iio h ASN 77 N 0.96 -0.79 -0.32 4.19 2.35 -1.01 0.61 115.58 121.58 1iio h ASN 77 Ca 0.26 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.85 1iio h ASN 77 Cb -0.08 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1iio h ASN 77 CO -0.05 -0.47 -0.37 0.11 -1.65 0.00 0.00 177.43 175.00 1iio h LYS 78 N -1.10 0.86 0.00 0.81 1.57 -1.38 -3.14 116.57 114.20 1iio h LYS 78 Ca -0.10 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.18 1iio h LYS 78 Cb 0.75 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1iio h LYS 78 CO 0.16 1.08 -0.34 0.00 -0.57 0.00 0.00 179.45 179.78 1iio h ALA 79 N 0.87 1.44 0.00 3.86 0.00 -0.71 -3.47 119.26 121.25 1iio h ALA 79 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iio h ALA 79 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1iio h ALA 79 CO 0.09 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1iio n GLY 80 N -0.56 1.39 0.00 0.00 0.00 -0.53 -5.05 105.19 100.44 1iio n GLY 80 Ca -0.02 -0.07 0.05 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