#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwx s LYS 3 N 0.00 3.02 -0.01 -0.52 2.20 -1.26 -2.22 119.74 120.95 3iwx s LYS 3 Ca 0.00 -1.11 -0.16 0.00 -0.36 0.00 0.00 55.97 54.34 3iwx s LYS 3 Cb 0.00 -4.07 -0.06 0.00 -1.51 0.00 0.00 37.83 32.20 3iwx s LYS 3 CO 0.00 -0.97 0.44 -1.01 -0.36 0.00 0.00 175.35 173.46 3iwx s HIS 4 N 1.87 3.71 -0.14 4.03 3.76 0.13 0.09 115.29 128.73 3iwx s HIS 4 Ca 0.07 1.02 -0.00 0.00 -0.15 0.00 0.00 55.06 56.00 3iwx s HIS 4 Cb -0.21 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 3iwx s HIS 4 CO 0.09 0.56 -0.14 -2.00 -0.85 0.00 0.00 174.74 172.40 3iwx s GLU 5 N -0.80 3.32 0.04 1.40 2.12 -0.12 -0.30 118.70 124.35 3iwx s GLU 5 Ca 0.25 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 54.94 3iwx s GLU 5 Cb -0.17 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 3iwx s GLU 5 CO 0.14 0.13 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.72 3iwx s PHE 6 N 0.55 1.82 -0.14 5.30 0.40 0.51 -0.40 117.98 126.01 3iwx s PHE 6 Ca -0.09 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.66 3iwx s PHE 6 Cb -0.16 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 3iwx s PHE 6 CO 0.04 0.08 0.63 0.45 0.70 0.00 0.00 175.22 177.11 3iwx s SER 7 N -1.10 6.79 -0.06 1.36 0.15 0.93 -0.77 113.70 120.99 3iwx s SER 7 Ca 0.07 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.69 3iwx s SER 7 Cb -0.09 -2.36 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 3iwx s SER 7 CO 0.01 -0.17 -0.08 -0.69 1.20 0.00 0.00 173.24 173.51 3iwx s VAL 8 N 1.32 0.86 -1.21 4.45 1.01 -0.33 -1.15 120.40 125.35 3iwx s VAL 8 Ca 0.31 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3iwx s VAL 8 Cb -0.16 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 3iwx s VAL 8 CO 0.13 0.30 2.39 -0.67 0.00 0.00 0.00 175.10 177.26 3iwx n ASP 9 N 4.14 5.83 -4.72 3.32 2.03 -0.56 -4.49 116.55 122.10 3iwx n ASP 9 Ca -0.21 -2.51 -0.40 0.00 0.52 0.00 0.00 54.79 52.18 3iwx n ASP 9 Cb 0.51 -1.32 -0.04 0.00 -0.72 0.00 0.00 41.12 39.54 3iwx n ASP 9 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3iwx s MET 10 N 3.16 4.48 0.00 -0.67 -1.94 -1.26 -4.78 119.30 118.29 3iwx s MET 10 Ca 0.53 1.06 0.00 0.00 -1.71 0.00 0.00 55.69 55.56 3iwx s MET 10 Cb 0.14 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 33.55 3iwx s MET 10 CO -0.03 0.10 0.68 0.25 -0.01 0.00 0.00 175.02 176.01 3iwx n THR 11 N 3.53 0.42 -3.83 2.05 -2.24 -1.26 -4.83 114.28 108.12 3iwx n THR 11 Ca 0.00 -0.65 -0.06 0.00 -2.27 0.00 0.00 64.05 61.07 3iwx n THR 11 Cb 0.51 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 3iwx n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwx h GLY 13 N 2.00 1.29 0.68 0.00 0.00 -2.00 -1.99 103.07 103.04 3iwx h GLY 13 Ca -0.20 -0.32 0.07 0.00 0.00 0.00 0.00 47.33 46.88 3iwx h GLY 13 CO 0.24 0.14 0.50 -1.33 0.00 0.00 0.00 176.54 176.09 3iwx h GLY 14 N 0.80 1.26 0.98 4.60 0.00 -1.99 -1.77 103.07 106.95 3iwx h GLY 14 Ca 0.40 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.39 3iwx h GLY 14 CO -0.24 0.22 0.67 0.00 0.00 0.00 0.00 176.54 177.18 3iwx h ALA 16 N 1.38 0.54 -0.23 0.00 0.00 -1.17 -2.79 119.26 116.99 3iwx h ALA 16 Ca 0.37 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3iwx h ALA 16 Cb -0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3iwx h ALA 16 CO -0.09 0.30 -0.27 1.49 0.00 0.00 0.00 179.25 180.68 3iwx h GLU 17 N 0.53 0.45 -0.66 0.00 4.81 -1.01 -2.48 114.58 116.23 3iwx h GLU 17 Ca 0.12 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3iwx h GLU 17 Cb 0.43 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3iwx h GLU 17 CO 0.02 0.68 0.17 0.00 -0.73 0.00 0.00 179.01 179.15 3iwx h ALA 18 N 1.32 1.05 -0.34 2.92 0.00 -1.24 -1.47 119.26 121.50 3iwx h ALA 18 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iwx h ALA 18 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3iwx h ALA 18 CO 0.05 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.42 3iwx h VAL 19 N 0.98 1.10 -0.67 0.00 2.07 -1.20 -2.50 116.25 116.04 3iwx h VAL 19 Ca 0.21 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3iwx h VAL 19 Cb 0.34 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3iwx h VAL 19 CO -0.00 0.10 0.43 0.77 0.02 0.00 0.00 177.57 178.90 3iwx h SER 20 N 0.46 0.78 -0.43 0.57 4.64 -1.07 -2.16 113.55 116.33 3iwx h SER 20 Ca 0.12 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 3iwx h SER 20 Cb -0.02 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3iwx h SER 20 CO -0.03 0.58 -0.28 0.03 -0.87 0.00 0.00 176.83 176.26 3iwx h ARG 21 N 0.92 0.96 -0.12 4.77 3.08 -0.97 0.87 114.38 123.88 3iwx h ARG 21 Ca 0.25 -0.45 -0.13 0.00 0.07 0.00 0.00 59.98 59.71 3iwx h ARG 21 Cb -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3iwx h ARG 21 CO -0.05 1.12 -0.50 -0.39 -1.07 0.00 0.00 179.97 179.08 3iwx h VAL 22 N 0.79 1.34 -0.37 2.04 -1.51 -1.30 -1.13 116.25 116.10 3iwx h VAL 22 Ca 0.09 -1.73 -0.11 0.00 -1.23 0.00 0.00 66.70 63.72 3iwx h VAL 22 Cb 0.87 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 3iwx h VAL 22 CO 0.08 0.52 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.69 3iwx h LEU 23 N 0.26 0.81 -0.71 4.19 3.38 -1.24 -1.76 115.31 120.24 3iwx h LEU 23 Ca 0.01 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.62 3iwx h LEU 23 Cb 0.97 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 3iwx h LEU 23 CO 0.08 1.03 0.43 0.78 0.09 0.00 0.00 178.44 180.85 3iwx h ASN 24 N 0.58 0.67 -0.78 -0.43 -0.26 -0.66 -0.76 115.58 113.95 3iwx h ASN 24 Ca 0.08 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 3iwx h ASN 24 Cb 0.73 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.82 3iwx h ASN 24 CO 0.05 0.45 0.35 0.50 -1.06 0.00 0.00 177.43 177.72 3iwx h LYS 25 N 0.81 1.13 -0.10 0.81 1.63 -1.05 -2.79 116.57 117.01 3iwx h LYS 25 Ca 0.30 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 3iwx h LYS 25 Cb 0.10 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3iwx h LYS 25 CO -0.14 0.90 0.04 1.25 -3.45 0.00 0.00 179.45 178.04 3iwx h LEU 26 N 1.10 0.14 -0.05 5.20 5.85 -0.92 -3.50 115.31 123.14 3iwx h LEU 26 Ca 0.26 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3iwx h LEU 26 Cb 0.16 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3iwx h LEU 26 CO -0.03 0.28 -0.09 0.61 -0.34 0.00 0.00 178.44 178.87 3iwx n GLY 27 N -0.63 -1.78 2.82 3.75 0.00 -0.33 -4.96 105.19 104.06 3iwx n GLY 27 Ca -0.06 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 3iwx n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwx n GLY 28 N -2.23 -0.36 3.06 -0.02 0.00 -1.26 -5.00 105.19 99.37 3iwx n GLY 28 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3iwx n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iwx s VAL 29 N -3.09 0.62 -0.08 1.61 -7.23 -1.26 -4.23 120.40 106.74 3iwx s VAL 29 Ca 0.25 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 3iwx s VAL 29 Cb -0.11 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.20 3iwx s VAL 29 CO 0.31 -0.22 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.93 3iwx s LYS 30 N -1.23 2.50 0.07 4.82 2.20 -0.29 -5.00 119.74 122.82 3iwx s LYS 30 Ca -0.06 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.78 3iwx s LYS 30 Cb -0.08 -1.96 -0.02 0.00 -1.51 0.00 0.00 37.83 34.26 3iwx s LYS 30 CO 0.01 0.16 0.10 1.52 -0.36 0.00 0.00 175.35 176.77 3iwx s TYR 31 N 0.36 0.32 -0.00 4.03 -0.85 -1.26 0.52 117.35 120.47 3iwx s TYR 31 Ca -0.15 -0.80 0.01 0.00 -0.52 0.00 0.00 57.07 55.61 3iwx s TYR 31 Cb -0.16 -0.20 0.00 0.00 0.38 0.00 0.00 41.96 41.97 3iwx s TYR 31 CO 0.06 -0.48 -0.01 0.16 -1.52 0.00 0.00 175.55 173.76 3iwx s ASP 32 N -2.89 0.22 -0.18 -0.18 -4.77 -0.42 -5.00 116.67 103.45 3iwx s ASP 32 Ca 0.06 -0.03 -0.01 0.00 -3.30 0.00 0.00 52.55 49.27 3iwx s ASP 32 Cb 0.06 -0.04 -0.00 0.00 -1.09 0.00 0.00 42.92 41.85 3iwx s ASP 32 CO -0.10 0.01 -0.12 -0.63 0.70 0.00 0.00 175.17 175.03 3iwx s ILE 33 N 0.09 2.88 -0.37 2.11 1.01 -1.26 -1.45 121.20 124.21 3iwx s ILE 33 Ca -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 3iwx s ILE 33 Cb -0.02 -2.25 0.08 0.00 0.01 0.00 0.00 42.46 40.27 3iwx s ILE 33 CO -0.00 0.49 0.13 -0.62 0.00 0.00 0.00 174.94 174.94 3iwx s ASP 34 N 1.05 5.18 0.00 3.58 -1.08 0.29 -5.01 116.67 120.68 3iwx s ASP 34 Ca -0.00 -1.62 -0.25 0.00 -0.52 0.00 0.00 52.55 50.16 3iwx s ASP 34 Cb -0.15 -1.81 -0.17 0.00 -1.46 0.00 0.00 42.92 39.33 3iwx s ASP 34 CO -0.03 -0.42 1.21 0.25 0.52 0.00 0.00 175.17 176.71 3iwx h LEU 35 N 8.09 -0.28 -1.79 -1.34 5.85 -1.96 -1.12 115.31 122.77 3iwx h LEU 35 Ca -0.18 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3iwx h LEU 35 Cb 1.06 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3iwx h LEU 35 CO 0.64 0.11 0.10 -0.65 -0.34 0.00 0.00 178.44 178.30 3iwx h PRO 36 N -0.71 0.24 -0.02 5.25 0.11 -1.95 -1.38 132.00 133.54 3iwx h PRO 36 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3iwx h PRO 36 Cb 0.49 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3iwx h PRO 36 CO 0.05 0.18 -0.01 0.09 -0.21 0.00 0.00 178.00 178.11 3iwx n ASN 37 N -4.49 2.05 -3.90 -2.05 3.02 -1.22 -4.96 115.26 103.70 3iwx n ASN 37 Ca -0.00 -1.68 -0.28 0.00 -0.03 0.00 0.00 54.58 52.59 3iwx n ASN 37 Cb 0.09 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 3iwx n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3iwx n LYS 38 N 0.60 -4.84 -4.77 3.52 5.02 -0.52 -4.94 118.16 112.24 3iwx n LYS 38 Ca 0.17 0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 56.76 3iwx n LYS 38 Cb 0.45 -5.25 -0.16 0.00 -0.02 0.00 0.00 35.03 30.04 3iwx n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3iwx s LYS 39 N -6.49 1.78 -0.15 1.97 1.02 -0.58 -1.18 119.74 116.10 3iwx s LYS 39 Ca 0.43 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.88 3iwx s LYS 39 Cb -0.22 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.59 3iwx s LYS 39 CO 0.84 0.18 -0.20 0.08 -0.92 0.00 0.00 175.35 175.33 3iwx s VAL 40 N 0.21 2.20 -0.15 3.17 1.01 0.05 -0.55 120.40 126.34 3iwx s VAL 40 Ca -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 3iwx s VAL 40 Cb -0.13 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3iwx s VAL 40 CO 0.03 0.54 -0.06 0.00 0.00 0.00 0.00 175.10 175.61 3iwx s ILE 42 N 0.32 1.09 -0.23 0.00 1.01 0.59 -1.31 121.20 122.67 3iwx s ILE 42 Ca -0.05 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3iwx s ILE 42 Cb -0.14 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 3iwx s ILE 42 CO 0.03 0.37 0.47 -0.70 0.00 0.00 0.00 174.94 175.12 3iwx s GLU 43 N 1.53 4.13 -0.09 2.79 2.56 0.19 0.18 118.70 129.99 3iwx s GLU 43 Ca 0.02 0.30 -0.30 0.00 0.00 0.00 0.00 54.97 54.99 3iwx s GLU 43 Cb -0.13 -3.59 0.12 0.00 2.00 0.00 0.00 34.13 32.52 3iwx s GLU 43 CO -0.07 -0.20 0.95 0.45 -0.56 0.00 0.00 175.26 175.84 3iwx s SER 44 N 1.30 -0.36 0.18 -1.70 0.15 -0.94 -1.13 113.70 111.20 3iwx s SER 44 Ca 0.21 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.30 3iwx s SER 44 Cb -0.15 0.33 0.11 0.00 -1.71 0.00 0.00 66.02 64.60 3iwx s SER 44 CO 0.09 -0.46 1.14 -0.33 1.20 0.00 0.00 173.24 174.88 3iwx h GLU 45 N 2.30 0.00 -6.74 5.44 4.39 -1.88 -3.36 114.58 114.72 3iwx h GLU 45 Ca -0.20 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.94 3iwx h GLU 45 Cb 1.20 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.95 3iwx h GLU 45 CO 0.31 0.00 0.56 0.72 -1.16 0.00 0.00 179.01 179.44 3iwx n HIS 46 N -2.51 2.36 -0.67 4.33 8.25 -1.26 -4.97 115.22 120.75 3iwx n HIS 46 Ca 0.01 0.51 -0.31 0.00 -0.26 0.00 0.00 57.72 57.68 3iwx n HIS 46 Cb 0.51 -2.44 0.18 0.00 1.12 0.00 0.00 29.99 29.36 3iwx n HIS 46 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3iwx s SER 47 N -0.17 2.68 0.43 0.41 1.04 -1.26 -4.80 113.70 112.04 3iwx s SER 47 Ca 0.57 2.13 0.10 0.00 0.48 0.00 0.00 55.95 59.23 3iwx s SER 47 Cb -0.57 -2.54 0.94 0.00 0.10 0.00 0.00 66.02 63.95 3iwx s SER 47 CO 0.60 -3.24 2.05 0.00 0.98 0.00 0.00 173.24 173.63 3iwx h MET 48 N -1.97 0.36 -0.37 4.02 -0.00 -1.98 -2.16 114.93 112.83 3iwx h MET 48 Ca -0.45 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.70 59.13 3iwx h MET 48 Cb 1.28 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.79 3iwx h MET 48 CO 0.42 0.28 -0.12 -0.44 -0.00 0.00 0.00 176.91 177.05 3iwx h ASP 49 N 0.36 0.74 -0.14 -0.10 3.32 -1.99 0.12 116.42 118.74 3iwx h ASP 49 Ca 0.09 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3iwx h ASP 49 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3iwx h ASP 49 CO -0.01 0.95 0.06 0.74 -1.72 0.00 0.00 179.24 179.25 3iwx h THR 50 N 0.52 1.15 -0.26 0.35 2.02 -1.86 -0.31 112.91 114.52 3iwx h THR 50 Ca 0.09 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3iwx h THR 50 Cb 0.65 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3iwx h THR 50 CO 0.04 0.14 0.17 -0.07 0.37 0.00 0.00 175.52 176.17 3iwx h LEU 51 N 0.07 0.28 -0.17 2.58 3.38 -1.29 0.00 115.31 120.17 3iwx h LEU 51 Ca 0.05 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3iwx h LEU 51 Cb 0.17 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3iwx h LEU 51 CO -0.00 0.20 -0.08 0.25 0.09 0.00 0.00 178.44 178.90 3iwx h LEU 52 N 0.34 -0.27 -0.94 1.67 5.85 -0.68 -0.38 115.31 120.91 3iwx h LEU 52 Ca 0.10 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3iwx h LEU 52 Cb -0.03 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3iwx h LEU 52 CO -0.03 -0.11 0.17 0.00 -0.34 0.00 0.00 178.44 178.13 3iwx h ALA 53 N 1.08 1.14 -0.10 1.25 0.00 -0.90 -0.36 119.26 121.36 3iwx h ALA 53 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iwx h ALA 53 Cb 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iwx h ALA 53 CO -0.21 0.59 0.05 1.15 0.00 0.00 0.00 179.25 180.83 3iwx h THR 54 N 0.91 1.10 -0.46 0.00 2.02 -0.67 -2.68 112.91 113.13 3iwx h THR 54 Ca 0.20 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3iwx h THR 54 Cb 0.30 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3iwx h THR 54 CO -0.00 0.09 -0.06 -0.07 0.37 0.00 0.00 175.52 175.85 3iwx h LEU 55 N 0.06 0.77 -1.58 2.58 3.38 -0.79 -2.86 115.31 116.86 3iwx h LEU 55 Ca 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3iwx h LEU 55 Cb 0.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3iwx h LEU 55 CO -0.01 0.87 0.00 0.11 0.09 0.00 0.00 178.44 179.51 3iwx h LYS 56 N 0.73 0.00 0.00 1.13 1.57 -0.93 -2.58 116.57 116.49 3iwx h LYS 56 Ca 0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3iwx h LYS 56 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3iwx h LYS 56 CO 0.03 0.00 -0.10 0.87 -0.57 0.00 0.00 179.45 179.67 3iwx h LYS 57 N 0.00 0.00 -0.02 3.15 1.57 -1.23 -2.31 116.57 117.73 3iwx h LYS 57 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3iwx h LYS 57 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3iwx h LYS 57 CO 0.00 0.10 0.06 1.79 -0.57 0.00 0.00 179.45 180.83 3iwx h THR 58 N 0.00 0.21 0.00 -0.16 1.35 -1.61 -3.45 112.91 109.25 3iwx h THR 58 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3iwx h THR 58 Cb 0.24 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3iwx h THR 58 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3iwx n GLY 59 N -1.21 0.74 3.90 5.82 0.00 -0.87 -5.06 105.19 108.52 3iwx n GLY 59 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3iwx n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwx s LYS 60 N -0.25 3.66 -0.09 1.61 -0.14 -1.26 -5.04 119.74 118.24 3iwx s LYS 60 Ca 0.00 0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.51 3iwx s LYS 60 Cb 0.00 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.62 3iwx s LYS 60 CO 0.00 0.03 1.38 0.99 -0.76 0.00 0.00 175.35 177.00 3iwx s THR 61 N -2.33 3.97 -0.04 2.17 2.01 -1.26 -4.75 115.64 115.40 3iwx s THR 61 Ca 0.47 1.24 0.05 0.00 0.31 0.00 0.00 61.69 63.76 3iwx s THR 61 Cb -0.10 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 3iwx s THR 61 CO 0.34 -0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.31 3iwx s VAL 62 N 3.22 1.55 0.06 3.82 1.01 -1.26 -1.49 120.40 127.31 3iwx s VAL 62 Ca 0.62 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3iwx s VAL 62 Cb -0.27 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3iwx s VAL 62 CO 0.22 0.44 -0.06 -0.94 0.00 0.00 0.00 175.10 174.77 3iwx s SER 63 N -0.16 0.78 -0.10 3.32 1.04 -0.30 -5.00 113.70 113.29 3iwx s SER 63 Ca 0.00 -0.81 -0.21 0.00 0.48 0.00 0.00 55.95 55.42 3iwx s SER 63 Cb -0.10 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 3iwx s SER 63 CO 0.01 -0.40 0.58 -0.47 0.98 0.00 0.00 173.24 173.94 3iwx s TYR 64 N -2.76 3.53 -0.14 5.02 5.04 -1.26 -0.05 117.35 126.73 3iwx s TYR 64 Ca 0.01 1.04 0.18 0.00 -2.44 0.00 0.00 57.07 55.86 3iwx s TYR 64 Cb -0.01 -2.67 -0.25 0.00 0.35 0.00 0.00 41.96 39.38 3iwx s TYR 64 CO -0.04 0.11 0.30 1.28 -1.34 0.00 0.00 175.55 175.86 3iwx n LEU 65 N 3.79 0.21 0.00 6.97 4.77 0.46 -4.88 117.00 128.32 3iwx n LEU 65 Ca -0.04 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3iwx n LEU 65 Cb 0.51 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3iwx n LEU 65 CO 0.45 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3iwx n GLY 66 N 1.61 0.41 3.06 -0.72 0.00 -1.14 -4.99 105.19 103.43 3iwx n GLY 66 Ca -0.24 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3iwx n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwx s LEU 67 N 0.00 -0.07 0.00 0.99 2.96 -1.26 -0.94 118.68 120.35 3iwx s LEU 67 Ca 0.00 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 3iwx s LEU 67 Cb 0.00 0.81 0.00 0.00 0.50 0.00 0.00 46.19 47.50 3iwx s LEU 67 CO 0.00 -0.21 0.00 -0.62 -1.32 0.00 0.00 176.35 174.20