#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxf h PRO 11 N 0.00 0.00 -3.64 0.00 0.13 -1.89 -3.43 132.00 123.17 3cxf h PRO 11 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 3cxf h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 3cxf h PRO 11 CO 0.00 0.18 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.01 3cxf s LEU 12 N -6.70 0.88 0.08 1.56 2.96 -1.26 -0.20 118.68 116.00 3cxf s LEU 12 Ca 0.00 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3cxf s LEU 12 Cb 0.10 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 3cxf s LEU 12 CO 0.62 -0.24 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.91 3cxf s MET 13 N 1.91 0.96 -0.05 1.98 -2.45 -0.06 -4.35 119.30 117.24 3cxf s MET 13 Ca 0.02 -1.01 0.02 0.00 -1.25 0.00 0.00 55.69 53.48 3cxf s MET 13 Cb -0.15 -1.07 0.01 0.00 1.25 0.00 0.00 34.83 34.88 3cxf s MET 13 CO -0.07 0.25 -0.11 0.08 1.05 0.00 0.00 175.02 176.22 3cxf s VAL 14 N -1.17 1.00 -0.05 10.11 1.01 -1.13 -0.50 120.40 129.67 3cxf s VAL 14 Ca 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3cxf s VAL 14 Cb -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3cxf s VAL 14 CO 0.03 0.32 -0.16 -0.75 0.00 0.00 0.00 175.10 174.54 3cxf s LYS 15 N 0.54 1.80 -0.06 2.72 2.20 0.19 -0.83 119.74 126.30 3cxf s LYS 15 Ca -0.11 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 3cxf s LYS 15 Cb -0.14 -1.52 0.01 0.00 -1.51 0.00 0.00 37.83 34.67 3cxf s LYS 15 CO 0.02 0.16 -0.15 0.08 -0.36 0.00 0.00 175.35 175.11 3cxf s VAL 16 N 0.26 1.30 0.14 4.02 1.01 -0.27 -1.06 120.40 125.79 3cxf s VAL 16 Ca -0.08 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.41 3cxf s VAL 16 Cb -0.13 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3cxf s VAL 16 CO 0.03 0.39 -0.25 -0.76 0.00 0.00 0.00 175.10 174.51 3cxf s LEU 17 N 0.41 2.40 -0.40 3.92 1.43 -0.14 -0.85 118.68 125.44 3cxf s LEU 17 Ca -0.11 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 3cxf s LEU 17 Cb -0.14 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3cxf s LEU 17 CO 0.04 0.17 0.31 -0.62 0.23 0.00 0.00 176.35 176.48 3cxf s ASP 18 N -2.17 6.12 0.49 2.29 -1.08 0.12 -0.76 116.67 121.67 3cxf s ASP 18 Ca 0.16 -0.83 0.28 0.00 -0.52 0.00 0.00 52.55 51.64 3cxf s ASP 18 Cb -0.10 -2.17 1.10 0.00 -1.46 0.00 0.00 42.92 40.30 3cxf s ASP 18 CO 0.07 -0.45 1.89 0.00 0.52 0.00 0.00 175.17 177.21 3cxf h ALA 19 N 8.63 1.02 0.00 3.66 0.00 -1.11 0.22 119.26 131.67 3cxf h ALA 19 Ca -0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3cxf h ALA 19 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3cxf h ALA 19 CO 0.73 0.15 -0.00 0.28 0.00 0.00 0.00 179.25 180.40 3cxf h VAL 20 N 0.00 1.69 0.00 0.00 2.07 -1.94 -3.37 116.25 114.71 3cxf h VAL 20 Ca -0.00 -2.03 -0.13 0.00 0.82 0.00 0.00 66.70 65.36 3cxf h VAL 20 Cb 0.65 3.07 -0.02 0.00 -1.52 0.00 0.00 31.29 33.47 3cxf h VAL 20 CO 0.02 0.53 -0.90 -0.09 0.02 0.00 0.00 177.57 177.14 3cxf h ARG 21 N -0.86 0.00 -3.70 1.57 2.43 -1.92 -3.48 114.38 108.41 3cxf h ARG 21 Ca -0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3cxf h ARG 21 Cb 0.87 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.49 3cxf h ARG 21 CO 0.00 0.42 -0.34 0.41 -1.51 0.00 0.00 179.97 178.95 3cxf n GLY 22 N 1.30 0.08 3.74 2.80 0.00 0.77 -5.05 105.19 108.82 3cxf n GLY 22 Ca -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3cxf n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cxf s SER 23 N -3.46 -0.13 0.34 1.61 1.04 -1.12 -5.00 113.70 106.97 3cxf s SER 23 Ca 0.06 -0.81 -0.28 0.00 0.48 0.00 0.00 55.95 55.40 3cxf s SER 23 Cb -0.01 0.68 -0.10 0.00 0.10 0.00 0.00 66.02 66.70 3cxf s SER 23 CO 0.31 -1.29 1.24 -2.84 0.98 0.00 0.00 173.24 171.64 3cxf s PRO 24 N -3.80 4.32 -0.48 4.02 0.02 -1.26 0.11 135.00 137.92 3cxf s PRO 24 Ca 0.16 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 62.98 3cxf s PRO 24 Cb -0.04 -2.99 0.03 0.00 0.02 0.00 0.00 34.50 31.52 3cxf s PRO 24 CO 0.09 -0.16 0.94 0.00 -0.33 0.00 0.00 177.00 177.54 3cxf s ALA 25 N -1.21 3.21 0.25 -1.55 0.00 -0.03 -4.64 121.76 117.80 3cxf s ALA 25 Ca 0.50 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 3cxf s ALA 25 Cb -0.36 -3.68 -0.08 0.00 0.00 0.00 0.00 23.12 19.00 3cxf s ALA 25 CO 0.47 -2.15 0.61 0.42 0.00 0.00 0.00 175.76 175.11 3cxf s ILE 26 N 3.86 4.84 -1.45 0.00 1.01 -1.26 -4.32 121.20 123.87 3cxf s ILE 26 Ca 0.36 0.65 -0.10 0.00 0.00 0.00 0.00 60.65 61.56 3cxf s ILE 26 Cb -0.10 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.80 3cxf s ILE 26 CO 0.25 -0.08 0.99 0.59 0.00 0.00 0.00 174.94 176.69 3cxf n ASN 27 N -0.14 -4.57 -4.61 3.58 4.13 -0.42 -4.93 115.26 108.30 3cxf n ASN 27 Ca 0.01 -0.73 -0.40 0.00 1.68 0.00 0.00 54.58 55.14 3cxf n ASN 27 Cb 0.53 -4.21 -0.07 0.00 -1.54 0.00 0.00 39.78 34.49 3cxf n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3cxf s VAL 28 N -3.36 5.04 0.18 2.41 1.01 -1.26 -4.74 120.40 119.69 3cxf s VAL 28 Ca 0.54 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 3cxf s VAL 28 Cb -0.26 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 3cxf s VAL 28 CO 0.80 0.05 1.28 0.00 0.00 0.00 0.00 175.10 177.23 3cxf s ALA 29 N 2.37 3.50 -0.08 5.51 0.00 -1.26 -1.39 121.76 130.40 3cxf s ALA 29 Ca 0.22 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.24 3cxf s ALA 29 Cb -0.16 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.52 3cxf s ALA 29 CO 0.09 -0.49 -0.10 0.08 0.00 0.00 0.00 175.76 175.34 3cxf s VAL 30 N 0.24 1.04 -0.11 0.00 1.01 0.13 -1.08 120.40 121.63 3cxf s VAL 30 Ca 0.57 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3cxf s VAL 30 Cb -0.35 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3cxf s VAL 30 CO 0.36 0.35 -0.19 -1.00 0.00 0.00 0.00 175.10 174.61 3cxf s HIS 31 N 0.97 2.66 -0.10 5.22 3.76 0.33 -1.26 115.29 126.88 3cxf s HIS 31 Ca -0.09 -0.87 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 3cxf s HIS 31 Cb -0.15 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 3cxf s HIS 31 CO 0.00 -0.32 -0.05 0.08 -0.85 0.00 0.00 174.74 173.60 3cxf s VAL 32 N 0.32 3.86 0.12 -0.90 1.01 0.67 0.64 120.40 126.13 3cxf s VAL 32 Ca -0.15 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3cxf s VAL 32 Cb -0.17 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3cxf s VAL 32 CO 0.07 0.57 -0.13 -0.36 0.00 0.00 0.00 175.10 175.25 3cxf s PHE 33 N -0.46 1.34 -0.04 5.22 0.40 0.11 -1.18 117.98 123.36 3cxf s PHE 33 Ca 0.07 -0.59 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3cxf s PHE 33 Cb -0.12 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 3cxf s PHE 33 CO 0.02 0.12 -0.18 0.50 0.70 0.00 0.00 175.22 176.38 3cxf s ARG 34 N -2.81 1.86 -0.10 0.44 3.52 -0.16 -0.06 118.95 121.64 3cxf s ARG 34 Ca 0.09 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 3cxf s ARG 34 Cb -0.04 -1.63 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 3cxf s ARG 34 CO 0.02 0.28 1.46 0.21 -0.81 0.00 0.00 175.30 176.46 3cxf s LYS 35 N -0.04 4.21 0.77 5.12 2.20 -0.04 -1.29 119.74 130.67 3cxf s LYS 35 Ca -0.03 1.94 -0.11 0.00 -0.36 0.00 0.00 55.97 57.41 3cxf s LYS 35 Cb -0.11 -3.86 0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3cxf s LYS 35 CO 0.02 -0.76 1.09 0.00 -0.36 0.00 0.00 175.35 175.34 3cxf s ALA 36 N 3.68 2.38 -1.44 3.13 0.00 -0.29 -4.71 121.76 124.51 3cxf s ALA 36 Ca 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3cxf s ALA 36 Cb -0.28 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3cxf s ALA 36 CO 0.23 -1.59 0.16 0.00 0.00 0.00 0.00 175.76 174.56 3cxf n ALA 37 N -3.34 1.51 -1.17 0.00 0.00 -1.26 -0.79 120.51 115.46 3cxf n ALA 37 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.53 3cxf n ALA 37 Cb 0.56 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.03 3cxf n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3cxf n ASP 38 N -0.00 0.71 -0.87 0.00 5.75 -1.26 -5.02 116.55 115.86 3cxf n ASP 38 Ca 0.00 -1.83 -0.11 0.00 -0.01 0.00 0.00 54.79 52.84 3cxf n ASP 38 Cb 0.03 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 3cxf n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cxf n ASP 39 N -0.31 -4.61 -4.71 -1.12 9.92 0.03 -5.03 116.55 110.72 3cxf n ASP 39 Ca 0.03 0.28 -0.28 0.00 -0.53 0.00 0.00 54.79 54.29 3cxf n ASP 39 Cb 0.54 -3.10 -0.07 0.00 -0.64 0.00 0.00 41.12 37.85 3cxf n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3cxf s THR 40 N -2.34 4.05 -0.32 -3.53 -4.23 -1.26 -4.87 115.64 103.14 3cxf s THR 40 Ca 0.00 -1.18 -0.26 0.00 -1.18 0.00 0.00 61.69 59.07 3cxf s THR 40 Cb 0.00 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.84 3cxf s THR 40 CO 0.00 -0.04 0.93 0.26 -0.54 0.00 0.00 174.62 175.23 3cxf s TRP 41 N -1.60 3.16 -0.19 3.99 0.52 -1.26 -1.13 118.94 122.42 3cxf s TRP 41 Ca 0.28 0.96 -0.09 0.00 0.02 0.00 0.00 56.10 57.27 3cxf s TRP 41 Cb -0.10 -3.47 -0.05 0.00 -1.15 0.00 0.00 33.47 28.70 3cxf s TRP 41 CO 0.20 -0.69 0.10 -2.00 0.02 0.00 0.00 176.95 174.58 3cxf s GLU 42 N 3.31 4.08 0.21 4.98 2.12 -0.41 -4.89 118.70 128.09 3cxf s GLU 42 Ca 0.38 -0.28 -0.32 0.00 0.36 0.00 0.00 54.97 55.12 3cxf s GLU 42 Cb -0.13 -3.32 -0.14 0.00 0.26 0.00 0.00 34.13 30.80 3cxf s GLU 42 CO 0.15 0.30 1.32 -2.30 -0.54 0.00 0.00 175.26 174.18 3cxf n PRO 43 N 3.50 1.68 -0.00 4.30 -0.02 -1.26 -0.98 135.00 142.21 3cxf n PRO 43 Ca -0.16 0.60 -0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3cxf n PRO 43 Cb 0.52 -2.20 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3cxf n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cxf n PHE 44 N 1.83 0.00 -3.62 6.00 7.35 -0.33 -4.79 117.46 123.91 3cxf n PHE 44 Ca 0.13 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.79 3cxf n PHE 44 Cb 0.28 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.08 3cxf n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cxf s ALA 45 N -2.01 -2.15 0.17 3.13 0.00 -1.17 -5.01 121.76 114.71 3cxf s ALA 45 Ca -0.01 1.67 -0.17 0.00 0.00 0.00 0.00 51.96 53.45 3cxf s ALA 45 Cb 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.95 3cxf s ALA 45 CO 0.01 -0.61 0.47 -1.54 0.00 0.00 0.00 175.76 174.09 3cxf s SER 46 N -2.18 -0.25 -0.02 0.00 1.04 -1.26 -0.24 113.70 110.80 3cxf s SER 46 Ca 0.11 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 3cxf s SER 46 Cb -0.00 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.69 3cxf s SER 46 CO -0.04 -0.97 0.45 0.61 0.98 0.00 0.00 173.24 174.27 3cxf n GLY 47 N -0.30 0.42 3.14 7.32 0.00 -0.39 -4.97 105.19 110.42 3cxf n GLY 47 Ca -0.12 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 3cxf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxf s LYS 48 N -2.00 0.80 0.45 1.61 1.02 -1.26 0.22 119.74 120.57 3cxf s LYS 48 Ca 0.11 -0.84 -0.23 0.00 0.02 0.00 0.00 55.97 55.03 3cxf s LYS 48 Cb -0.00 -0.78 -0.08 0.00 -0.52 0.00 0.00 37.83 36.45 3cxf s LYS 48 CO -0.01 0.18 1.15 0.95 -0.92 0.00 0.00 175.35 176.70 3cxf s THR 49 N -1.10 3.20 0.00 2.17 -4.23 -0.49 -4.72 115.64 110.47 3cxf s THR 49 Ca -0.02 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 3cxf s THR 49 Cb -0.09 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3cxf s THR 49 CO 0.02 -0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.55 3cxf n SER 50 N -0.39 0.00 0.29 3.99 3.41 -0.09 -1.30 113.62 119.54 3cxf n SER 50 Ca 0.07 -0.85 0.16 0.00 -0.26 0.00 0.00 58.87 57.98 3cxf n SER 50 Cb 0.48 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.34 3cxf n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cxf h GLU 51 N 0.00 0.00 -0.15 4.33 5.08 -1.93 0.18 114.58 122.09 3cxf h GLU 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cxf h GLU 51 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cxf h GLU 51 CO 0.00 0.04 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 3cxf n SER 52 N -3.62 1.56 -0.10 1.42 3.41 -1.26 -4.76 113.62 110.27 3cxf n SER 52 Ca -0.02 -1.68 -0.01 0.00 -0.26 0.00 0.00 58.87 56.89 3cxf n SER 52 Cb 0.14 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 3cxf n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cxf n GLY 53 N 1.11 0.45 3.69 5.00 0.00 0.64 -4.80 105.19 111.28 3cxf n GLY 53 Ca 0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3cxf n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxf s GLU 54 N -1.02 2.54 -0.20 1.61 2.02 -1.26 -1.12 118.70 121.28 3cxf s GLU 54 Ca 0.00 -0.94 -0.00 0.00 0.02 0.00 0.00 54.97 54.05 3cxf s GLU 54 Cb 0.00 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.79 3cxf s GLU 54 CO 0.00 0.50 -0.05 -1.17 0.02 0.00 0.00 175.26 174.56 3cxf s LEU 55 N -2.64 2.03 0.36 1.80 2.96 -0.01 -0.91 118.68 122.26 3cxf s LEU 55 Ca 0.27 -0.90 0.08 0.00 -0.22 0.00 0.00 54.13 53.36 3cxf s LEU 55 Cb -0.11 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 3cxf s LEU 55 CO 0.19 -0.21 0.14 -1.00 -1.32 0.00 0.00 176.35 174.16 3cxf s HIS 56 N 1.53 2.67 -1.48 5.38 3.76 -1.26 -2.83 115.29 123.06 3cxf s HIS 56 Ca -0.02 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3cxf s HIS 56 Cb -0.17 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.82 3cxf s HIS 56 CO -0.07 0.31 0.00 0.41 -0.85 0.00 0.00 174.74 174.53 3cxf n GLY 57 N -1.16 0.35 0.30 -2.22 0.00 -1.26 -4.91 105.19 96.29 3cxf n GLY 57 Ca -0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 3cxf n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cxf h LEU 58 N 0.00 0.86 0.00 0.99 3.38 -1.86 -3.47 115.31 115.21 3cxf h LEU 58 Ca -0.36 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 3cxf h LEU 58 Cb 1.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3cxf h LEU 58 CO 0.46 0.90 0.00 1.07 0.09 0.00 0.00 178.44 180.96 3cxf n THR 59 N -4.22 0.00 -4.39 0.22 5.66 -1.26 -4.73 114.28 105.57 3cxf n THR 59 Ca 0.03 -0.65 -0.20 0.00 -3.05 0.00 0.00 64.05 60.19 3cxf n THR 59 Cb 0.30 0.46 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 3cxf n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cxf s THR 60 N -2.61 1.59 0.30 1.09 -4.23 -1.26 -4.63 115.64 105.90 3cxf s THR 60 Ca 0.11 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 3cxf s THR 60 Cb -0.01 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.81 3cxf s THR 60 CO 0.08 -0.41 1.96 -0.33 -0.54 0.00 0.00 174.62 175.38 3cxf h GLU 61 N 2.40 1.06 -0.64 3.99 5.08 -1.99 0.12 114.58 124.61 3cxf h GLU 61 Ca -0.39 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 3cxf h GLU 61 Cb 1.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3cxf h GLU 61 CO 0.65 0.70 0.04 1.49 -1.00 0.00 0.00 179.01 180.90 3cxf h GLU 62 N 1.10 1.09 0.00 2.33 4.81 -2.04 -3.24 114.58 118.63 3cxf h GLU 62 Ca 0.31 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3cxf h GLU 62 Cb -0.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3cxf h GLU 62 CO -0.08 1.04 -0.97 1.49 -0.73 0.00 0.00 179.01 179.76 3cxf h GLU 63 N 1.01 0.00 -4.61 1.92 4.81 -1.85 -3.41 114.58 112.44 3cxf h GLU 63 Ca 0.19 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.69 3cxf h GLU 63 Cb 0.52 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.77 3cxf h GLU 63 CO 0.02 0.11 2.05 0.34 -0.73 0.00 0.00 179.01 180.80 3cxf n PHE 64 N -2.81 4.16 -2.11 0.92 7.35 0.37 -4.94 117.46 120.40 3cxf n PHE 64 Ca -0.02 -3.02 -0.22 0.00 -0.76 0.00 0.00 57.45 53.42 3cxf n PHE 64 Cb 0.64 -2.31 0.14 0.00 0.35 0.00 0.00 39.48 38.29 3cxf n PHE 64 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 3cxf n VAL 65 N 4.85 0.00 -1.70 -2.13 0.24 -1.26 -4.92 118.33 113.40 3cxf n VAL 65 Ca 0.43 -1.04 -0.36 0.00 -2.04 0.00 0.00 64.34 61.33 3cxf n VAL 65 Cb 0.41 -1.32 0.07 0.00 -1.47 0.00 0.00 33.84 31.53 3cxf n VAL 65 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3cxf s GLU 66 N -5.12 2.50 0.00 7.34 2.02 -1.26 -4.80 118.70 119.38 3cxf s GLU 66 Ca 0.60 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.59 3cxf s GLU 66 Cb -0.02 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.36 3cxf s GLU 66 CO 0.41 -1.62 0.00 0.41 0.02 0.00 0.00 175.26 174.48 3cxf n GLY 67 N 0.80 0.10 3.62 -1.39 0.00 -1.15 -5.00 105.19 102.18 3cxf n GLY 67 Ca 0.15 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 3cxf n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxf s ILE 68 N -1.88 5.10 0.13 -0.61 1.01 -1.26 -0.91 121.20 122.78 3cxf s ILE 68 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.82 3cxf s ILE 68 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 3cxf s ILE 68 CO 0.00 0.36 -0.14 -0.31 0.00 0.00 0.00 174.94 174.85 3cxf s TYR 69 N 1.05 2.60 -0.15 3.97 1.51 0.40 -0.86 117.35 125.87 3cxf s TYR 69 Ca 0.06 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3cxf s TYR 69 Cb -0.14 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 3cxf s TYR 69 CO 0.04 0.43 -0.15 0.21 -1.11 0.00 0.00 175.55 174.97 3cxf s LYS 70 N -2.33 2.36 -0.35 -0.62 2.20 0.92 -1.19 119.74 120.72 3cxf s LYS 70 Ca 0.20 -0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 55.14 3cxf s LYS 70 Cb -0.10 -2.13 0.02 0.00 -1.51 0.00 0.00 37.83 34.11 3cxf s LYS 70 CO 0.12 -0.22 0.16 0.08 -0.36 0.00 0.00 175.35 175.14 3cxf s VAL 71 N 1.43 4.33 -0.35 4.02 1.01 0.17 0.06 120.40 131.07 3cxf s VAL 71 Ca 0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3cxf s VAL 71 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3cxf s VAL 71 CO -0.10 -0.16 0.21 -0.70 0.00 0.00 0.00 175.10 174.36 3cxf s GLU 72 N 1.52 3.21 -0.30 2.72 2.12 0.21 -0.67 118.70 127.51 3cxf s GLU 72 Ca 0.01 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 3cxf s GLU 72 Cb -0.19 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 3cxf s GLU 72 CO 0.05 -0.54 0.19 0.42 -0.54 0.00 0.00 175.26 174.84 3cxf s ILE 73 N 1.64 5.07 -1.34 -3.70 1.01 -0.06 -0.51 121.20 123.32 3cxf s ILE 73 Ca 0.05 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 3cxf s ILE 73 Cb -0.18 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3cxf s ILE 73 CO 0.08 0.15 2.06 0.47 0.00 0.00 0.00 174.94 177.70 3cxf n ASP 74 N 5.05 3.96 -0.29 3.58 8.00 -0.24 -1.75 116.55 134.85 3cxf n ASP 74 Ca -0.14 -2.84 -0.05 0.00 0.71 0.00 0.00 54.79 52.47 3cxf n ASP 74 Cb 0.51 -1.63 0.07 0.00 -0.02 0.00 0.00 41.12 40.05 3cxf n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cxf h THR 75 N 4.53 1.24 -0.09 -3.53 1.35 -1.87 -3.04 112.91 111.51 3cxf h THR 75 Ca 0.51 -0.63 0.03 0.00 -0.55 0.00 0.00 66.41 65.76 3cxf h THR 75 Cb 0.71 0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 3cxf h THR 75 CO 1.76 0.28 -0.09 0.50 -0.25 0.00 0.00 175.52 177.72 3cxf h LYS 76 N 1.10 -0.11 -0.78 4.72 3.64 -1.73 -1.43 116.57 121.98 3cxf h LYS 76 Ca 0.27 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 3cxf h LYS 76 Cb 0.07 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3cxf h LYS 76 CO -0.04 -0.08 0.51 0.77 -2.27 0.00 0.00 179.45 178.34 3cxf h SER 77 N -0.12 0.68 0.15 4.20 0.02 -1.83 -0.03 113.55 116.63 3cxf h SER 77 Ca 0.07 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3cxf h SER 77 Cb 0.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3cxf h SER 77 CO -0.16 0.42 -0.07 0.22 -1.14 0.00 0.00 176.83 176.09 3cxf h TYR 78 N 0.76 -0.19 -0.47 3.45 3.20 -1.18 -0.47 116.97 122.06 3cxf h TYR 78 Ca 0.35 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.09 3cxf h TYR 78 Cb 0.37 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3cxf h TYR 78 CO -0.00 -0.05 -0.19 -1.49 -1.64 0.00 0.00 178.16 174.79 3cxf h TRP 79 N -0.29 1.09 -0.28 -3.82 4.06 -0.85 -2.94 115.95 112.93 3cxf h TRP 79 Ca -0.02 -0.26 -0.07 0.00 2.06 0.00 0.00 58.89 60.60 3cxf h TRP 79 Cb 0.23 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 3cxf h TRP 79 CO -0.04 1.07 -0.11 0.87 -3.56 0.00 0.00 178.44 176.66 3cxf h LYS 80 N 0.80 0.46 0.00 0.49 1.57 -0.80 -0.93 116.57 118.16 3cxf h LYS 80 Ca 0.11 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3cxf h LYS 80 Cb 0.76 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3cxf h LYS 80 CO 0.06 0.57 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 3cxf n ALA 81 N -2.48 1.26 -2.44 3.86 0.00 -0.19 -2.14 120.51 118.39 3cxf n ALA 81 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 3cxf n ALA 81 Cb 0.31 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.73 3cxf n ALA 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3cxf n LEU 82 N -1.44 2.87 -1.23 0.00 0.00 -0.68 -4.98 117.00 111.53 3cxf n LEU 82 Ca 0.01 -3.65 -0.16 0.00 0.00 0.00 0.00 56.01 52.21 3cxf n LEU 82 Cb 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 43.42 43.48 3cxf n LEU 82 CO 0.04 1.42 -0.15 0.61 0.00 0.00 0.00 177.39 179.31 3cxf n GLY 83 N -0.59 1.61 3.42 -3.96 0.00 -0.91 -5.01 105.19 99.76 3cxf n GLY 83 Ca 0.22 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3cxf n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxf s ILE 84 N -2.57 2.88 -0.80 -0.61 1.01 -0.44 -5.01 121.20 115.66 3cxf s ILE 84 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 3cxf s ILE 84 Cb 0.00 -2.13 0.19 0.00 0.01 0.00 0.00 42.46 40.53 3cxf s ILE 84 CO 0.00 0.58 0.78 -0.55 0.00 0.00 0.00 174.94 175.75 3cxf s SER 85 N -0.45 6.66 0.86 3.58 0.15 -1.26 -2.70 113.70 120.53 3cxf s SER 85 Ca 0.05 -2.45 -0.11 0.00 0.70 0.00 0.00 55.95 54.14 3cxf s SER 85 Cb -0.12 -2.24 0.11 0.00 -1.71 0.00 0.00 66.02 62.06 3cxf s SER 85 CO 0.02 -0.69 1.09 -2.16 1.20 0.00 0.00 173.24 172.70 3cxf s PRO 86 N 0.76 1.55 -0.17 5.44 0.04 -1.26 -4.99 135.00 136.38 3cxf s PRO 86 Ca 0.18 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 3cxf s PRO 86 Cb -0.12 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 3cxf s PRO 86 CO -0.07 -2.07 0.23 0.35 0.04 0.00 0.00 177.00 175.47 3cxf h PHE 87 N -1.43 0.00 -4.00 0.56 3.57 -1.74 -3.48 116.94 110.42 3cxf h PHE 87 Ca -0.47 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.55 3cxf h PHE 87 Cb 1.27 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.02 3cxf h PHE 87 CO 0.48 0.91 0.40 -1.01 -2.23 0.00 0.00 178.31 176.86 3cxf s HIS 88 N -2.22 3.20 0.15 0.41 3.76 -1.26 -4.96 115.29 114.37 3cxf s HIS 88 Ca -0.21 1.63 -0.02 0.00 -0.15 0.00 0.00 55.06 56.30 3cxf s HIS 88 Cb 0.03 -3.09 -0.03 0.00 1.11 0.00 0.00 32.58 30.60 3cxf s HIS 88 CO 0.47 -0.63 1.36 0.93 -0.85 0.00 0.00 174.74 176.02 3cxf h GLU 89 N 2.20 0.38 -1.73 1.40 4.39 -1.98 -3.37 114.58 115.87 3cxf h GLU 89 Ca -0.49 -0.37 0.35 0.00 0.34 0.00 0.00 59.36 59.19 3cxf h GLU 89 Cb 1.21 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.86 3cxf h GLU 89 CO 0.61 1.04 0.90 -3.38 -1.16 0.00 0.00 179.01 177.02 3cxf s HIS 90 N -3.39 -0.00 -0.17 4.33 -3.43 -1.26 -3.42 115.29 107.95 3cxf s HIS 90 Ca -0.05 -0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.11 3cxf s HIS 90 Cb 0.10 0.54 -0.00 0.00 -1.43 0.00 0.00 32.58 31.78 3cxf s HIS 90 CO 0.85 -0.22 -0.12 0.00 -2.00 0.00 0.00 174.74 173.25 3cxf s ALA 91 N -2.16 2.59 -0.17 -1.38 0.00 -0.72 -4.91 121.76 115.02 3cxf s ALA 91 Ca 0.22 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3cxf s ALA 91 Cb 0.03 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.80 3cxf s ALA 91 CO -0.03 -0.10 -0.13 -1.21 0.00 0.00 0.00 175.76 174.29 3cxf s GLU 92 N 0.92 3.24 -0.26 0.00 2.02 -1.26 -0.88 118.70 122.48 3cxf s GLU 92 Ca -0.03 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.19 3cxf s GLU 92 Cb -0.15 -2.71 -0.00 0.00 0.10 0.00 0.00 34.13 31.37 3cxf s GLU 92 CO -0.01 -0.06 0.03 0.08 0.02 0.00 0.00 175.26 175.32 3cxf s VAL 93 N 1.01 3.72 -0.11 2.63 1.01 0.16 -4.94 120.40 123.89 3cxf s VAL 93 Ca -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3cxf s VAL 93 Cb -0.15 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3cxf s VAL 93 CO -0.03 0.24 -0.19 -0.69 0.00 0.00 0.00 175.10 174.43 3cxf s VAL 94 N 1.49 2.56 0.01 2.92 1.01 -1.26 0.43 120.40 127.57 3cxf s VAL 94 Ca 0.04 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 3cxf s VAL 94 Cb -0.16 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.28 3cxf s VAL 94 CO 0.00 0.55 0.71 0.72 0.00 0.00 0.00 175.10 177.07 3cxf s PHE 95 N 0.26 -0.56 0.10 5.22 -0.71 -0.34 -4.98 117.98 116.97 3cxf s PHE 95 Ca -0.13 0.73 -0.26 0.00 -1.04 0.00 0.00 56.93 56.23 3cxf s PHE 95 Cb -0.16 0.48 -0.07 0.00 -1.21 0.00 0.00 43.02 42.06 3cxf s PHE 95 CO 0.07 -0.66 0.79 0.99 -1.34 0.00 0.00 175.22 175.07 3cxf s THR 96 N -2.21 4.55 0.09 -4.49 2.01 -1.26 -0.45 115.64 113.87 3cxf s THR 96 Ca -0.05 1.71 0.07 0.00 0.31 0.00 0.00 61.69 63.74 3cxf s THR 96 Cb -0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3cxf s THR 96 CO -0.00 0.43 -0.18 0.00 -0.69 0.00 0.00 174.62 174.17 3cxf s ALA 97 N -0.51 1.54 -1.80 7.40 0.00 -0.08 -4.81 121.76 123.50 3cxf s ALA 97 Ca 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3cxf s ALA 97 Cb -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3cxf s ALA 97 CO 0.25 0.29 0.00 0.09 0.00 0.00 0.00 175.76 176.39 3cxf n ASN 98 N 1.23 -5.43 -0.00 0.00 3.02 -1.26 -2.91 115.26 109.90 3cxf n ASN 98 Ca -0.20 0.17 0.16 0.00 -0.03 0.00 0.00 54.58 54.68 3cxf n ASN 98 Cb 0.54 -4.63 0.95 0.00 -0.61 0.00 0.00 39.78 36.03 3cxf n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3cxf n ASP 99 N -1.73 0.00 -0.65 6.41 5.75 -1.26 -2.85 116.55 122.22 3cxf n ASP 99 Ca -0.22 -1.00 0.04 0.00 -0.01 0.00 0.00 54.79 53.60 3cxf n ASP 99 Cb 0.66 -0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.82 3cxf n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3cxf n SER 100 N -1.00 0.99 0.00 -1.12 7.64 -1.26 -5.10 113.62 113.77 3cxf n SER 100 Ca 0.24 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.62 3cxf n SER 100 Cb 0.11 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3cxf n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cxf n GLY 101 N -0.35 2.04 3.75 0.23 0.00 -1.13 -5.01 105.19 104.71 3cxf n GLY 101 Ca 0.08 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 3cxf n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cxf n PRO 102 N 1.24 2.73 -4.16 1.61 -0.04 -1.26 -4.34 135.00 130.77 3cxf n PRO 102 Ca 0.00 0.97 -0.10 0.00 -0.04 0.00 0.00 63.50 64.33 3cxf n PRO 102 Cb 0.00 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 30.62 3cxf n PRO 102 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3cxf s ARG 103 N -0.86 0.84 -0.21 0.54 1.81 -1.26 -4.67 118.95 115.14 3cxf s ARG 103 Ca 0.61 -1.36 -0.09 0.00 -1.72 0.00 0.00 55.73 53.18 3cxf s ARG 103 Cb -0.49 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 3cxf s ARG 103 CO 0.52 -0.12 0.10 1.03 -0.68 0.00 0.00 175.30 176.15 3cxf s ARG 104 N -3.92 3.98 -0.09 3.54 0.52 -0.32 -4.85 118.95 117.81 3cxf s ARG 104 Ca 0.15 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3cxf s ARG 104 Cb 0.07 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 3cxf s ARG 104 CO -0.03 0.15 -0.16 0.71 0.02 0.00 0.00 175.30 175.99 3cxf s TYR 105 N 0.74 2.70 -0.19 -0.53 1.51 0.72 -1.84 117.35 120.46 3cxf s TYR 105 Ca 0.05 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3cxf s TYR 105 Cb -0.13 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3cxf s TYR 105 CO 0.02 -0.10 -0.16 0.99 -1.11 0.00 0.00 175.55 175.19 3cxf s THR 106 N -0.07 1.92 -0.35 -0.71 2.01 -0.31 -0.88 115.64 117.24 3cxf s THR 106 Ca -0.03 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 60.81 3cxf s THR 106 Cb -0.14 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 3cxf s THR 106 CO 0.04 0.36 0.25 -0.63 -0.69 0.00 0.00 174.62 173.95 3cxf s ILE 107 N 1.31 5.25 0.04 1.82 -1.09 0.34 -0.70 121.20 128.18 3cxf s ILE 107 Ca 0.01 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 3cxf s ILE 107 Cb -0.15 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 3cxf s ILE 107 CO -0.10 -0.06 0.06 0.00 -1.23 0.00 0.00 174.94 173.60 3cxf s ALA 108 N 1.71 3.49 -0.03 9.38 0.00 0.56 -0.64 121.76 136.23 3cxf s ALA 108 Ca 0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3cxf s ALA 108 Cb -0.18 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3cxf s ALA 108 CO 0.10 0.71 0.07 0.00 0.00 0.00 0.00 175.76 176.64 3cxf s ALA 109 N -1.26 -0.12 -0.20 0.00 0.00 -0.23 -1.10 121.76 118.85 3cxf s ALA 109 Ca 0.25 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 3cxf s ALA 109 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3cxf s ALA 109 CO 0.17 -0.08 -0.10 -1.17 0.00 0.00 0.00 175.76 174.58 3cxf s LEU 110 N 0.58 2.63 -0.09 0.00 2.96 0.17 -0.97 118.68 123.96 3cxf s LEU 110 Ca -0.05 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3cxf s LEU 110 Cb -0.06 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3cxf s LEU 110 CO -0.02 -0.00 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.22 3cxf s LEU 111 N 1.36 3.41 0.07 -0.68 1.43 0.06 -1.62 118.68 122.71 3cxf s LEU 111 Ca 0.05 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3cxf s LEU 111 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3cxf s LEU 111 CO -0.06 0.36 -0.07 -0.44 0.23 0.00 0.00 176.35 176.37 3cxf s SER 112 N -0.75 0.99 0.32 2.29 0.01 0.13 -0.55 113.70 116.13 3cxf s SER 112 Ca 0.12 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 56.58 3cxf s SER 112 Cb -0.11 0.08 0.67 0.00 0.21 0.00 0.00 66.02 66.87 3cxf s SER 112 CO 0.02 -0.38 1.86 -0.65 0.41 0.00 0.00 173.24 174.50 3cxf h PRO 113 N 3.54 0.84 -0.13 12.44 0.11 -1.99 -2.85 132.00 143.96 3cxf h PRO 113 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3cxf h PRO 113 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3cxf h PRO 113 CO 0.56 0.55 0.00 0.72 -0.21 0.00 0.00 178.00 179.62 3cxf n HIS 114 N -4.59 0.46 -3.58 0.65 8.25 -1.26 -1.88 115.22 113.28 3cxf n HIS 114 Ca 0.18 -0.92 -0.12 0.00 -0.26 0.00 0.00 57.72 56.59 3cxf n HIS 114 Cb 0.39 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 3cxf n HIS 114 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3cxf s SER 115 N -2.36 -0.47 0.03 0.41 0.15 -1.08 -4.96 113.70 105.42 3cxf s SER 115 Ca 0.36 0.62 -0.10 0.00 0.70 0.00 0.00 55.95 57.53 3cxf s SER 115 Cb 0.30 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 65.15 3cxf s SER 115 CO 0.06 -0.36 0.21 -0.72 1.20 0.00 0.00 173.24 173.62 3cxf s TYR 116 N -0.79 0.03 0.01 3.44 -0.85 -1.26 -0.70 117.35 117.23 3cxf s TYR 116 Ca -0.03 -0.22 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 3cxf s TYR 116 Cb -0.01 -0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 3cxf s TYR 116 CO 0.02 -0.43 -0.18 0.45 -1.52 0.00 0.00 175.55 173.89 3cxf s SER 117 N -2.00 2.13 -0.03 -0.18 0.15 -0.64 -4.96 113.70 108.17 3cxf s SER 117 Ca -0.06 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.20 3cxf s SER 117 Cb -0.02 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 3cxf s SER 117 CO -0.03 0.18 -0.03 0.28 1.20 0.00 0.00 173.24 174.84 3cxf s THR 118 N -0.58 0.38 0.06 6.45 -1.32 -1.26 -0.66 115.64 118.70 3cxf s THR 118 Ca 0.06 -0.07 0.06 0.00 -1.21 0.00 0.00 61.69 60.53 3cxf s THR 118 Cb -0.08 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.48 3cxf s THR 118 CO 0.00 0.17 -0.17 0.42 -2.21 0.00 0.00 174.62 172.83 3cxf s THR 119 N 0.70 1.35 -0.16 5.08 -4.23 -0.26 -4.97 115.64 113.14 3cxf s THR 119 Ca -0.08 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 3cxf s THR 119 Cb -0.11 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 72.51 3cxf s THR 119 CO -0.00 -0.01 -0.18 0.00 -0.54 0.00 0.00 174.62 173.89 3cxf s ALA 120 N -0.99 2.41 -0.27 3.99 0.00 -1.26 -0.32 121.76 125.32 3cxf s ALA 120 Ca 0.03 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 3cxf s ALA 120 Cb -0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 3cxf s ALA 120 CO 0.02 -0.15 0.09 0.08 0.00 0.00 0.00 175.76 175.80 3cxf s VAL 121 N 1.00 4.33 -0.17 0.00 1.01 0.12 -4.96 120.40 121.74 3cxf s VAL 121 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3cxf s VAL 121 Cb -0.15 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3cxf s VAL 121 CO -0.04 0.23 -0.12 -0.69 0.00 0.00 0.00 175.10 174.48 3cxf s VAL 122 N 1.60 2.91 0.30 2.92 1.01 -1.26 -1.17 120.40 126.71 3cxf s VAL 122 Ca 0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3cxf s VAL 122 Cb -0.16 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3cxf s VAL 122 CO 0.04 0.49 0.14 0.42 0.00 0.00 0.00 175.10 176.19 3cxf s THR 123 N 0.95 0.42 0.29 3.92 -4.23 -0.76 -4.99 115.64 111.24 3cxf s THR 123 Ca -0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3cxf s THR 123 Cb -0.15 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 3cxf s THR 123 CO -0.01 0.00 0.45 0.20 -0.54 0.00 0.00 174.62 174.72 3cxf s ASN 124 N -3.37 6.31 0.00 3.99 -0.87 -1.26 -1.17 114.94 118.56 3cxf s ASN 124 Ca 0.36 0.26 0.31 0.00 -1.57 0.00 0.00 52.86 52.21 3cxf s ASN 124 Cb 0.06 -1.95 1.60 0.00 -0.02 0.00 0.00 41.25 40.94 3cxf s ASN 124 CO 0.16 -0.18 2.05 -0.81 -2.57 0.00 0.00 177.10 175.76