#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxf n PRO 11 N 0.00 0.20 -3.71 0.00 -0.04 -1.26 -4.67 135.00 125.51 3cxf n PRO 11 Ca 0.00 0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 63.52 3cxf n PRO 11 Cb 0.00 -1.80 -0.17 0.00 -0.04 0.00 0.00 33.50 31.49 3cxf n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3cxf s LEU 12 N -4.30 0.55 0.10 1.53 2.96 -1.26 0.79 118.68 119.05 3cxf s LEU 12 Ca 0.08 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 3cxf s LEU 12 Cb 0.11 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.40 3cxf s LEU 12 CO 0.48 -0.25 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.73 3cxf s MET 13 N 2.03 1.09 -0.05 1.98 -2.45 0.23 -4.34 119.30 117.78 3cxf s MET 13 Ca 0.03 -1.14 0.02 0.00 -1.25 0.00 0.00 55.69 53.35 3cxf s MET 13 Cb -0.14 -1.31 0.01 0.00 1.25 0.00 0.00 34.83 34.65 3cxf s MET 13 CO -0.06 0.30 -0.10 0.08 1.05 0.00 0.00 175.02 176.29 3cxf s VAL 14 N -1.21 0.94 -0.06 10.11 1.01 -1.11 -0.83 120.40 129.25 3cxf s VAL 14 Ca 0.06 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3cxf s VAL 14 Cb -0.10 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3cxf s VAL 14 CO 0.04 0.31 -0.05 -0.75 0.00 0.00 0.00 175.10 174.65 3cxf s LYS 15 N 0.61 0.97 -0.05 2.72 2.20 -0.65 -0.85 119.74 124.69 3cxf s LYS 15 Ca -0.12 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.43 3cxf s LYS 15 Cb -0.14 -0.99 -0.01 0.00 -1.51 0.00 0.00 37.83 35.17 3cxf s LYS 15 CO 0.02 -0.11 -0.24 0.08 -0.36 0.00 0.00 175.35 174.73 3cxf s VAL 16 N 1.10 1.98 0.07 4.02 1.01 -0.23 -0.79 120.40 127.57 3cxf s VAL 16 Ca -0.08 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 60.94 3cxf s VAL 16 Cb -0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3cxf s VAL 16 CO -0.01 0.55 -0.21 -0.76 0.00 0.00 0.00 175.10 174.67 3cxf s LEU 17 N -0.26 2.23 -0.35 3.92 1.43 0.65 -1.55 118.68 124.74 3cxf s LEU 17 Ca 0.00 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 3cxf s LEU 17 Cb -0.12 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 3cxf s LEU 17 CO 0.02 0.12 0.24 -0.62 0.23 0.00 0.00 176.35 176.35 3cxf s ASP 18 N -1.51 6.02 0.22 2.29 -1.08 0.82 -0.21 116.67 123.21 3cxf s ASP 18 Ca 0.07 -0.51 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 3cxf s ASP 18 Cb -0.09 -2.13 0.86 0.00 -1.46 0.00 0.00 42.92 40.10 3cxf s ASP 18 CO 0.03 -0.26 1.76 0.00 0.52 0.00 0.00 175.17 177.22 3cxf n ALA 19 N 5.10 2.13 -0.06 3.66 0.00 0.67 -1.13 120.51 130.87 3cxf n ALA 19 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 3cxf n ALA 19 Cb 0.49 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3cxf n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cxf h VAL 20 N 0.00 0.79 0.00 0.00 2.07 -1.93 -3.37 116.25 113.80 3cxf h VAL 20 Ca 0.00 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 3cxf h VAL 20 Cb 0.64 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3cxf h VAL 20 CO 0.00 0.27 -0.46 0.03 0.02 0.00 0.00 177.57 177.43 3cxf h ARG 21 N -1.00 0.00 -3.25 1.57 3.08 -1.94 -3.48 114.38 109.37 3cxf h ARG 21 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3cxf h ARG 21 Cb 0.49 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.58 3cxf h ARG 21 CO -0.01 0.09 -0.22 0.41 -1.07 0.00 0.00 179.97 179.17 3cxf n GLY 22 N 1.16 0.26 3.80 0.04 0.00 -0.29 -5.06 105.19 105.11 3cxf n GLY 22 Ca 0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.28 -0.18 0.55 1.61 1.04 -1.09 -5.01 113.70 107.34 3cxf s SER 23 Ca 0.05 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.55 3cxf s SER 23 Cb -0.01 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.78 3cxf s SER 23 CO 0.20 -1.35 1.12 -2.16 0.98 0.00 0.00 173.24 172.03 3cxf s PRO 24 N -3.76 3.33 -0.45 4.02 0.04 -1.26 -0.13 135.00 136.80 3cxf s PRO 24 Ca 0.14 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.50 3cxf s PRO 24 Cb -0.05 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.51 3cxf s PRO 24 CO 0.08 -0.85 0.75 0.00 0.04 0.00 0.00 177.00 177.02 3cxf s ALA 25 N -1.88 3.30 0.07 8.56 0.00 -0.60 -4.61 121.76 126.61 3cxf s ALA 25 Ca 0.71 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 3cxf s ALA 25 Cb -0.22 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 3cxf s ALA 25 CO 0.28 -1.90 0.37 0.42 0.00 0.00 0.00 175.76 174.93 3cxf s ILE 26 N 3.18 5.15 -1.31 0.00 1.01 -1.26 -4.36 121.20 123.59 3cxf s ILE 26 Ca 0.28 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 61.21 3cxf s ILE 26 Cb -0.13 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3cxf s ILE 26 CO 0.22 0.27 0.79 -3.20 0.00 0.00 0.00 174.94 173.02 3cxf n ASN 27 N 0.85 -5.79 -4.61 3.58 5.15 -0.68 -4.94 115.26 108.82 3cxf n ASN 27 Ca -0.08 -0.36 -0.39 0.00 -0.60 0.00 0.00 54.58 53.15 3cxf n ASN 27 Cb 0.52 -4.52 -0.09 0.00 -0.53 0.00 0.00 39.78 35.16 3cxf n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cxf s VAL 28 N -3.19 5.20 0.27 3.44 1.01 -1.26 -4.75 120.40 121.12 3cxf s VAL 28 Ca 0.39 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 3cxf s VAL 28 Cb -0.17 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 3cxf s VAL 28 CO 0.48 0.18 1.38 0.00 0.00 0.00 0.00 175.10 177.14 3cxf s ALA 29 N 1.95 3.57 -0.07 5.51 0.00 -1.26 -1.65 121.76 129.81 3cxf s ALA 29 Ca 0.14 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.40 3cxf s ALA 29 Cb -0.16 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3cxf s ALA 29 CO 0.10 -0.70 -0.06 0.08 0.00 0.00 0.00 175.76 175.18 3cxf s VAL 30 N -0.41 0.74 -0.11 0.00 1.01 0.11 -1.43 120.40 120.33 3cxf s VAL 30 Ca 0.55 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.37 3cxf s VAL 30 Cb -0.41 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3cxf s VAL 30 CO 0.47 0.29 -0.20 -1.00 0.00 0.00 0.00 175.10 174.65 3cxf s HIS 31 N 1.21 2.63 -0.08 5.22 3.76 0.17 -1.52 115.29 126.68 3cxf s HIS 31 Ca -0.06 -0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 53.96 3cxf s HIS 31 Cb -0.14 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 3cxf s HIS 31 CO -0.02 -0.33 -0.04 0.08 -0.85 0.00 0.00 174.74 173.58 3cxf s VAL 32 N 0.29 3.97 0.09 -0.90 1.01 0.19 -0.04 120.40 125.02 3cxf s VAL 32 Ca -0.15 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3cxf s VAL 32 Cb -0.17 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3cxf s VAL 32 CO 0.08 0.59 -0.10 -0.36 0.00 0.00 0.00 175.10 175.31 3cxf s PHE 33 N -0.74 1.02 -0.02 5.22 0.08 0.11 -1.03 117.98 122.62 3cxf s PHE 33 Ca 0.11 -0.63 0.08 0.00 0.12 0.00 0.00 56.93 56.61 3cxf s PHE 33 Cb -0.11 -0.56 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 3cxf s PHE 33 CO 0.02 -0.01 -0.26 0.50 -0.10 0.00 0.00 175.22 175.37 3cxf s ARG 34 N -2.59 2.12 -0.24 0.44 3.52 -0.59 -1.31 118.95 120.30 3cxf s ARG 34 Ca 0.03 -0.92 -0.29 0.00 -0.13 0.00 0.00 55.73 54.42 3cxf s ARG 34 Cb -0.04 -2.03 -0.00 0.00 -1.56 0.00 0.00 34.95 31.32 3cxf s ARG 34 CO 0.00 0.55 1.21 0.21 -0.81 0.00 0.00 175.30 176.45 3cxf s LYS 35 N -0.58 4.13 0.73 5.12 2.20 -0.50 -1.81 119.74 129.03 3cxf s LYS 35 Ca 0.09 1.41 -0.11 0.00 -0.36 0.00 0.00 55.97 57.00 3cxf s LYS 35 Cb -0.10 -3.77 0.03 0.00 -1.51 0.00 0.00 37.83 32.48 3cxf s LYS 35 CO -0.01 -0.83 1.11 0.00 -0.36 0.00 0.00 175.35 175.26 3cxf s ALA 36 N 3.71 2.86 0.53 3.13 0.00 -0.33 -4.78 121.76 126.87 3cxf s ALA 36 Ca 0.52 -0.44 0.32 0.00 0.00 0.00 0.00 51.96 52.36 3cxf s ALA 36 Cb -0.18 -2.99 1.47 0.00 0.00 0.00 0.00 23.12 21.43 3cxf s ALA 36 CO 0.15 -1.25 1.88 0.00 0.00 0.00 0.00 175.76 176.54 3cxf h ALA 37 N -0.73 2.85 -0.47 0.00 0.00 -1.95 0.16 119.26 119.12 3cxf h ALA 37 Ca -0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3cxf h ALA 37 Cb 1.27 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3cxf h ALA 37 CO 0.64 -1.12 0.05 -0.40 0.00 0.00 0.00 179.25 178.42 3cxf n ASP 38 N -4.27 4.49 -0.33 0.00 5.75 -1.26 -4.92 116.55 116.01 3cxf n ASP 38 Ca 0.19 -2.75 -0.04 0.00 -0.01 0.00 0.00 54.79 52.18 3cxf n ASP 38 Cb 0.98 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.36 -5.19 -4.91 -1.12 9.92 0.57 -5.00 116.55 111.17 3cxf n ASP 39 Ca 0.23 0.11 -0.28 0.00 -0.53 0.00 0.00 54.79 54.32 3cxf n ASP 39 Cb 1.01 -3.07 -0.03 0.00 -0.64 0.00 0.00 41.12 38.39 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 -1.60 5.09 -0.08 -3.53 -4.23 -1.26 -4.81 115.64 105.22 3cxf s THR 40 Ca 0.00 -0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.22 3cxf s THR 40 Cb 0.00 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 3cxf s THR 40 CO 0.00 -0.26 0.51 0.26 -0.54 0.00 0.00 174.62 174.59 3cxf s TRP 41 N -2.00 3.58 -0.04 3.99 0.52 -1.26 -1.19 118.94 122.54 3cxf s TRP 41 Ca 0.42 0.99 0.05 0.00 0.02 0.00 0.00 56.10 57.58 3cxf s TRP 41 Cb -0.11 -2.55 -0.01 0.00 -1.15 0.00 0.00 33.47 29.65 3cxf s TRP 41 CO 0.29 0.25 -0.19 -1.21 0.02 0.00 0.00 176.95 176.12 3cxf s GLU 42 N 0.28 1.82 0.13 4.98 2.02 -0.75 -4.94 118.70 122.25 3cxf s GLU 42 Ca 0.28 -0.68 -0.33 0.00 0.02 0.00 0.00 54.97 54.26 3cxf s GLU 42 Cb -0.16 -1.63 -0.18 0.00 0.10 0.00 0.00 34.13 32.27 3cxf s GLU 42 CO 0.13 0.32 0.80 -2.30 0.02 0.00 0.00 175.26 174.23 3cxf n PRO 43 N 2.93 0.21 0.00 0.39 -0.02 -1.26 -1.54 135.00 135.71 3cxf n PRO 43 Ca -0.17 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3cxf n PRO 43 Cb 0.53 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 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 0.69 0.00 -3.51 6.00 7.35 -0.19 -4.72 117.46 123.08 3cxf n PHE 44 Ca 0.18 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 3cxf n PHE 44 Cb 0.20 0.16 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 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 -1.89 -1.66 0.17 3.13 0.00 -1.07 -5.00 121.76 115.45 3cxf s ALA 45 Ca 0.00 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 3cxf s ALA 45 Cb 0.00 0.69 0.06 0.00 0.00 0.00 0.00 23.12 23.86 3cxf s ALA 45 CO 0.00 -0.78 0.83 -1.54 0.00 0.00 0.00 175.76 174.27 3cxf s SER 46 N -2.67 -0.28 0.00 0.00 1.04 -1.26 0.57 113.70 111.10 3cxf s SER 46 Ca 0.04 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3cxf s SER 46 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3cxf s SER 46 CO -0.09 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3cxf n GLY 47 N -0.43 -1.71 3.26 7.32 0.00 -0.57 -4.99 105.19 108.07 3cxf n GLY 47 Ca -0.07 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.66 1.77 0.50 1.61 1.02 -1.26 0.10 119.74 121.81 3cxf s LYS 48 Ca 0.00 -0.84 -0.23 0.00 0.02 0.00 0.00 55.97 54.92 3cxf s LYS 48 Cb 0.00 -1.75 -0.07 0.00 -0.52 0.00 0.00 37.83 35.50 3cxf s LYS 48 CO 0.00 0.47 1.31 0.25 -0.92 0.00 0.00 175.35 176.47 3cxf n THR 49 N 2.40 3.27 -1.04 2.17 -2.24 -0.66 -4.80 114.28 113.38 3cxf n THR 49 Ca -0.16 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.07 3cxf n THR 49 Cb 0.52 -1.62 0.04 0.00 -2.10 0.00 0.00 70.33 67.17 3cxf n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cxf n SER 50 N -0.48 -0.23 0.22 3.42 3.41 0.18 -1.69 113.62 118.45 3cxf n SER 50 Ca 0.09 -0.99 0.16 0.00 -0.26 0.00 0.00 58.87 57.87 3cxf n SER 50 Cb 0.43 -0.18 0.65 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.18 4.33 5.08 -1.94 -1.26 114.58 120.60 3cxf h GLU 51 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3cxf h GLU 51 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3cxf h GLU 51 CO 0.05 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.93 3cxf n SER 52 N -2.75 1.94 -0.01 1.42 3.41 -1.26 -4.81 113.62 111.56 3cxf n SER 52 Ca 0.01 -1.74 -0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3cxf n SER 52 Cb 0.25 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.19 0.46 3.67 5.00 0.00 -0.47 -4.75 105.19 110.28 3cxf n GLY 53 Ca 0.17 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.35 2.41 -0.23 1.61 2.02 -1.26 -1.06 118.70 121.83 3cxf s GLU 54 Ca 0.00 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 53.81 3cxf s GLU 54 Cb 0.00 -2.33 0.07 0.00 0.10 0.00 0.00 34.13 31.97 3cxf s GLU 54 CO 0.00 0.44 0.05 -1.17 0.02 0.00 0.00 175.26 174.60 3cxf s LEU 55 N -3.09 1.44 0.54 1.80 2.96 -0.03 0.49 118.68 122.79 3cxf s LEU 55 Ca 0.28 -1.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 3cxf s LEU 55 Cb -0.09 -0.66 0.05 0.00 0.50 0.00 0.00 46.19 45.99 3cxf s LEU 55 CO 0.19 -0.34 0.55 -1.00 -1.32 0.00 0.00 176.35 174.43 3cxf s HIS 56 N 1.80 1.71 -1.55 5.38 3.76 -1.26 -2.76 115.29 122.36 3cxf s HIS 56 Ca 0.02 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 3cxf s HIS 56 Cb -0.17 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.45 3cxf s HIS 56 CO -0.14 -0.69 0.00 0.41 -0.85 0.00 0.00 174.74 173.47 3cxf n GLY 57 N -1.92 -0.35 0.29 -2.22 0.00 -1.26 -4.88 105.19 94.85 3cxf n GLY 57 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.76 0.00 0.99 3.38 -1.84 -3.47 115.31 115.13 3cxf h LEU 58 Ca -0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3cxf h LEU 58 Cb 1.30 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3cxf h LEU 58 CO 0.50 0.80 0.03 1.07 0.09 0.00 0.00 178.44 180.93 3cxf n THR 59 N -4.24 0.00 -4.40 0.22 5.66 -1.26 -4.79 114.28 105.47 3cxf n THR 59 Ca 0.03 -0.29 -0.20 0.00 -3.05 0.00 0.00 64.05 60.55 3cxf n THR 59 Cb 0.27 0.24 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.71 1.27 0.19 1.09 -4.23 -1.26 -4.57 115.64 105.42 3cxf s THR 60 Ca 0.05 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 3cxf s THR 60 Cb -0.01 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.42 3cxf s THR 60 CO 0.03 -0.22 1.81 -0.33 -0.54 0.00 0.00 174.62 175.37 3cxf h GLU 61 N 2.31 0.63 -0.92 3.99 5.08 -1.99 -0.06 114.58 123.62 3cxf h GLU 61 Ca -0.40 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3cxf h GLU 61 Cb 1.23 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3cxf h GLU 61 CO 0.67 0.42 0.56 0.93 -1.00 0.00 0.00 179.01 180.59 3cxf h GLU 62 N 0.65 1.24 -0.05 2.33 5.08 -2.04 -2.89 114.58 118.90 3cxf h GLU 62 Ca 0.24 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 3cxf h GLU 62 Cb 0.07 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3cxf h GLU 62 CO -0.12 0.86 -0.84 0.93 -1.00 0.00 0.00 179.01 178.84 3cxf h GLU 63 N 1.26 0.47 -5.49 2.33 5.08 -1.89 -3.40 114.58 112.95 3cxf h GLU 63 Ca 0.33 -0.44 -0.65 0.00 -1.00 0.00 0.00 59.36 57.61 3cxf h GLU 63 Cb -0.07 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 3cxf h GLU 63 CO -0.06 1.08 2.23 0.34 -1.00 0.00 0.00 179.01 181.60 3cxf n PHE 64 N -3.81 4.21 -2.68 4.33 7.35 -0.07 -4.97 117.46 121.82 3cxf n PHE 64 Ca -0.06 -2.68 -0.25 0.00 -0.76 0.00 0.00 57.45 53.70 3cxf n PHE 64 Cb 0.77 -2.60 0.02 0.00 0.35 0.00 0.00 39.48 38.02 3cxf n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cxf s VAL 65 N 4.84 3.82 0.83 -2.13 -7.23 -1.26 -4.91 120.40 114.36 3cxf s VAL 65 Ca 0.55 -0.24 -0.14 0.00 -1.81 0.00 0.00 61.98 60.34 3cxf s VAL 65 Cb 0.05 -3.46 0.05 0.00 0.56 0.00 0.00 36.38 33.58 3cxf s VAL 65 CO 0.06 -0.40 0.85 -0.62 -0.31 0.00 0.00 175.10 174.68 3cxf n GLU 66 N -2.33 0.04 -0.66 4.82 1.02 -1.26 -4.88 120.64 117.38 3cxf n GLU 66 Ca 0.03 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3cxf n GLU 66 Cb 0.58 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3cxf n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cxf n GLY 67 N 1.01 0.39 3.67 0.62 0.00 -1.05 -4.96 105.19 104.88 3cxf n GLY 67 Ca 0.11 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.27 5.22 0.10 -0.61 1.01 -1.26 -0.57 121.20 123.83 3cxf s ILE 68 Ca 0.00 0.64 0.10 0.00 0.00 0.00 0.00 60.65 61.39 3cxf s ILE 68 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3cxf s ILE 68 CO 0.00 0.27 -0.26 -0.31 0.00 0.00 0.00 174.94 174.64 3cxf s TYR 69 N 1.24 2.27 -0.09 3.97 1.51 0.89 -1.41 117.35 125.72 3cxf s TYR 69 Ca 0.18 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3cxf s TYR 69 Cb -0.14 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 3cxf s TYR 69 CO 0.07 0.27 -0.21 0.21 -1.11 0.00 0.00 175.55 174.78 3cxf s LYS 70 N -1.80 2.69 -0.22 -0.62 2.20 -0.43 -0.63 119.74 120.93 3cxf s LYS 70 Ca 0.13 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 54.95 3cxf s LYS 70 Cb -0.10 -2.07 0.01 0.00 -1.51 0.00 0.00 37.83 34.16 3cxf s LYS 70 CO 0.05 0.14 -0.07 0.08 -0.36 0.00 0.00 175.35 175.19 3cxf s VAL 71 N 0.41 2.99 -0.21 4.02 1.01 0.19 -0.71 120.40 128.11 3cxf s VAL 71 Ca -0.18 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 3cxf s VAL 71 Cb -0.17 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3cxf s VAL 71 CO 0.08 0.36 -0.02 -0.70 0.00 0.00 0.00 175.10 174.81 3cxf s GLU 72 N 1.40 3.48 -0.28 2.72 2.12 0.94 -0.98 118.70 128.10 3cxf s GLU 72 Ca 0.04 -0.58 -0.08 0.00 0.36 0.00 0.00 54.97 54.71 3cxf s GLU 72 Cb -0.15 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 3cxf s GLU 72 CO -0.05 -0.10 0.10 0.42 -0.54 0.00 0.00 175.26 175.08 3cxf s ILE 73 N 1.26 4.26 -1.13 -3.70 1.01 0.08 -0.65 121.20 122.33 3cxf s ILE 73 Ca 0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 3cxf s ILE 73 Cb -0.14 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 3cxf s ILE 73 CO -0.00 0.18 1.96 -0.67 0.00 0.00 0.00 174.94 176.41 3cxf n ASP 74 N 4.92 3.42 0.06 3.58 -0.08 -0.51 -1.30 116.55 126.64 3cxf n ASP 74 Ca -0.15 -2.77 -0.05 0.00 -1.51 0.00 0.00 54.79 50.31 3cxf n ASP 74 Cb 0.50 -1.51 0.15 0.00 2.34 0.00 0.00 41.12 42.59 3cxf n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3cxf h THR 75 N 4.96 1.33 -0.26 5.18 1.35 -1.87 -3.12 112.91 120.49 3cxf h THR 75 Ca 0.42 -1.70 0.05 0.00 -0.55 0.00 0.00 66.41 64.62 3cxf h THR 75 Cb 0.76 1.76 -0.05 0.00 -1.73 0.00 0.00 68.15 68.89 3cxf h THR 75 CO 1.68 0.52 -0.08 0.50 -0.25 0.00 0.00 175.52 177.88 3cxf h LYS 76 N 0.28 -0.03 -0.55 4.72 3.64 -1.75 -0.83 116.57 122.05 3cxf h LYS 76 Ca 0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3cxf h LYS 76 Cb 0.96 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3cxf h LYS 76 CO 0.08 -0.02 0.24 0.77 -2.27 0.00 0.00 179.45 178.26 3cxf h SER 77 N -0.03 0.73 -0.37 4.20 0.02 -1.88 -1.02 113.55 115.21 3cxf h SER 77 Ca 0.13 -0.15 0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3cxf h SER 77 Cb 0.22 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 3cxf h SER 77 CO -0.28 0.68 -0.10 0.22 -1.14 0.00 0.00 176.83 176.20 3cxf h TYR 78 N 0.74 -0.23 -0.24 3.45 3.20 -1.28 0.36 116.97 122.97 3cxf h TYR 78 Ca 0.19 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 3cxf h TYR 78 Cb 0.15 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3cxf h TYR 78 CO 0.00 -0.17 -0.19 -1.49 -1.64 0.00 0.00 178.16 174.67 3cxf h TRP 79 N -0.01 0.65 -0.77 -3.82 4.06 -0.97 -3.01 115.95 112.08 3cxf h TRP 79 Ca 0.18 -0.18 0.11 0.00 2.06 0.00 0.00 58.89 61.06 3cxf h TRP 79 Cb 0.29 -0.14 -0.08 0.00 -1.00 0.00 0.00 29.16 28.23 3cxf h TRP 79 CO -0.35 0.86 0.39 0.87 -3.56 0.00 0.00 178.44 176.65 3cxf h LYS 80 N 0.26 0.60 -0.10 0.49 1.57 -0.80 0.65 116.57 119.24 3cxf h LYS 80 Ca 0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3cxf h LYS 80 Cb 0.73 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3cxf h LYS 80 CO 0.05 0.40 0.07 0.00 -0.57 0.00 0.00 179.45 179.39 3cxf h ALA 81 N 1.48 1.99 -0.55 3.86 0.00 -0.85 -0.06 119.26 125.13 3cxf h ALA 81 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3cxf h ALA 81 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cxf h ALA 81 CO -0.31 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.22 3cxf n LEU 82 N -4.52 2.97 -2.78 0.00 4.77 0.12 -4.92 117.00 112.63 3cxf n LEU 82 Ca -0.01 -1.49 -0.19 0.00 -0.03 0.00 0.00 56.01 54.29 3cxf n LEU 82 Cb 0.12 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3cxf n LEU 82 CO 0.34 0.73 0.10 0.61 -1.33 0.00 0.00 177.39 177.84 3cxf n GLY 83 N 1.36 -0.30 3.18 -0.72 0.00 -0.04 -5.01 105.19 103.67 3cxf n GLY 83 Ca 0.18 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.16 1.60 -0.40 -0.61 1.01 -0.58 -5.02 121.20 114.04 3cxf s ILE 84 Ca 0.36 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 3cxf s ILE 84 Cb -0.16 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3cxf s ILE 84 CO 0.45 0.46 1.20 -0.55 0.00 0.00 0.00 174.94 176.49 3cxf s SER 85 N -0.15 6.65 0.21 3.58 0.15 -1.26 -3.60 113.70 119.29 3cxf s SER 85 Ca -0.00 0.78 -0.11 0.00 0.70 0.00 0.00 55.95 57.32 3cxf s SER 85 Cb -0.11 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.58 3cxf s SER 85 CO 0.02 -1.17 0.56 -2.16 1.20 0.00 0.00 173.24 171.68 3cxf s PRO 86 N 4.32 3.86 -0.16 5.44 0.04 -1.26 -4.85 135.00 142.37 3cxf s PRO 86 Ca 0.51 0.35 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 3cxf s PRO 86 Cb -0.11 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3cxf s PRO 86 CO 0.27 0.35 -0.00 0.35 0.04 0.00 0.00 177.00 178.00 3cxf h PHE 87 N 2.77 0.00 -4.06 0.56 3.57 -1.59 -3.48 116.94 114.71 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 1.18 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.95 3cxf h PHE 87 CO 0.62 0.58 0.40 -1.01 -2.23 0.00 0.00 178.31 176.67 3cxf s HIS 88 N -2.25 2.97 0.21 0.41 3.76 -1.26 -4.95 115.29 114.18 3cxf s HIS 88 Ca -0.19 1.58 0.13 0.00 -0.15 0.00 0.00 55.06 56.42 3cxf s HIS 88 Cb 0.03 -3.13 0.38 0.00 1.11 0.00 0.00 32.58 30.97 3cxf s HIS 88 CO 0.36 -0.96 1.61 0.93 -0.85 0.00 0.00 174.74 175.82 3cxf h GLU 89 N 1.66 0.00 -1.44 1.40 4.39 -1.98 -3.38 114.58 115.23 3cxf h GLU 89 Ca -0.49 0.00 0.39 0.00 0.34 0.00 0.00 59.36 59.60 3cxf h GLU 89 Cb 1.23 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.76 3cxf h GLU 89 CO 0.59 0.58 0.99 -3.38 -1.16 0.00 0.00 179.01 176.63 3cxf s HIS 90 N -3.49 -0.00 -0.25 4.33 -3.43 -1.26 -4.03 115.29 107.15 3cxf s HIS 90 Ca -0.00 -0.02 -0.02 0.00 -0.80 0.00 0.00 55.06 54.21 3cxf s HIS 90 Cb 0.12 0.51 0.02 0.00 -1.43 0.00 0.00 32.58 31.79 3cxf s HIS 90 CO 0.75 -0.05 -0.05 0.00 -2.00 0.00 0.00 174.74 173.39 3cxf s ALA 91 N -2.04 2.75 0.09 -1.38 0.00 -0.42 -4.91 121.76 115.85 3cxf s ALA 91 Ca 0.22 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3cxf s ALA 91 Cb 0.05 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3cxf s ALA 91 CO -0.05 -0.76 0.26 -1.21 0.00 0.00 0.00 175.76 174.00 3cxf s GLU 92 N 1.37 3.49 -0.16 0.00 2.02 -1.26 -0.74 118.70 123.42 3cxf s GLU 92 Ca 0.01 -0.35 -0.04 0.00 0.02 0.00 0.00 54.97 54.61 3cxf s GLU 92 Cb -0.16 -2.98 0.07 0.00 0.10 0.00 0.00 34.13 31.16 3cxf s GLU 92 CO -0.04 0.56 0.19 0.08 0.02 0.00 0.00 175.26 176.08 3cxf s VAL 93 N -1.56 -0.29 -0.12 2.63 1.01 -0.15 -4.98 120.40 116.94 3cxf s VAL 93 Ca 0.37 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3cxf s VAL 93 Cb -0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3cxf s VAL 93 CO 0.27 -0.09 -0.16 -0.69 0.00 0.00 0.00 175.10 174.43 3cxf s VAL 94 N 2.31 2.77 0.20 2.92 1.01 -1.26 0.55 120.40 128.90 3cxf s VAL 94 Ca 0.05 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3cxf s VAL 94 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.12 3cxf s VAL 94 CO -0.10 0.53 0.51 0.72 0.00 0.00 0.00 175.10 176.77 3cxf s PHE 95 N 0.35 -0.04 -0.25 5.22 -0.71 0.19 -4.99 117.98 117.75 3cxf s PHE 95 Ca -0.13 -0.31 -0.09 0.00 -1.04 0.00 0.00 56.93 55.36 3cxf s PHE 95 Cb -0.16 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 3cxf s PHE 95 CO 0.07 -0.93 0.12 0.99 -1.34 0.00 0.00 175.22 174.13 3cxf s THR 96 N -3.89 4.88 -0.16 -4.49 2.01 -1.26 -0.08 115.64 112.65 3cxf s THR 96 Ca 0.11 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 3cxf s THR 96 Cb -0.01 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 3cxf s THR 96 CO -0.01 0.33 0.75 0.00 -0.69 0.00 0.00 174.62 175.00 3cxf s ALA 97 N 1.39 3.49 -0.01 7.40 0.00 0.27 -4.94 121.76 129.35 3cxf s ALA 97 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.07 3cxf s ALA 97 Cb -0.15 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3cxf s ALA 97 CO 0.06 -0.51 -0.23 1.21 0.00 0.00 0.00 175.76 176.29 3cxf s ASN 98 N 1.10 2.65 -0.73 0.00 3.04 -1.26 -2.54 114.94 117.21 3cxf s ASN 98 Ca 0.36 -0.42 -0.06 0.00 0.04 0.00 0.00 52.86 52.77 3cxf s ASN 98 Cb -0.17 -0.29 -0.04 0.00 -1.54 0.00 0.00 41.25 39.22 3cxf s ASN 98 CO 0.13 0.27 2.94 0.47 -3.04 0.00 0.00 177.10 177.87 3cxf n ASP 99 N 2.44 6.89 -3.47 -4.21 8.00 -1.26 -4.75 116.55 120.20 3cxf n ASP 99 Ca -0.16 -2.89 -0.40 0.00 0.71 0.00 0.00 54.79 52.05 3cxf n ASP 99 Cb 0.52 -1.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.24 3cxf n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3cxf n SER 100 N 1.95 7.66 0.00 -2.24 3.41 -1.26 -4.88 113.62 118.25 3cxf n SER 100 Ca 0.55 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 3cxf n SER 100 Cb 0.53 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3cxf n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cxf n GLY 101 N 2.90 -1.07 3.53 5.00 0.00 -1.26 -4.89 105.19 109.41 3cxf n GLY 101 Ca 0.67 -1.64 -0.47 0.00 0.00 0.00 0.00 46.02 44.58 3cxf n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cxf n PRO 102 N -1.15 0.90 -3.66 1.61 -0.02 -1.26 -4.98 135.00 126.44 3cxf n PRO 102 Ca 0.00 0.32 -0.07 0.00 -2.02 0.00 0.00 63.50 61.73 3cxf n PRO 102 Cb 0.00 -1.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 3cxf n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3cxf s ARG 103 N -1.13 0.51 -0.09 -0.52 0.52 -1.26 -4.39 118.95 112.59 3cxf s ARG 103 Ca 0.64 1.10 -0.00 0.00 -0.52 0.00 0.00 55.73 56.95 3cxf s ARG 103 Cb -0.81 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 3cxf s ARG 103 CO 0.57 -0.18 -0.06 1.03 0.02 0.00 0.00 175.30 176.67 3cxf s ARG 104 N 2.03 2.97 -0.19 3.54 0.52 0.16 -4.82 118.95 123.17 3cxf s ARG 104 Ca -0.07 -0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.57 3cxf s ARG 104 Cb -0.09 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 3cxf s ARG 104 CO -0.16 0.56 -0.07 0.71 0.02 0.00 0.00 175.30 176.35 3cxf s TYR 105 N -0.52 2.92 -0.21 -0.53 1.51 0.24 -2.55 117.35 118.20 3cxf s TYR 105 Ca 0.08 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 3cxf s TYR 105 Cb -0.12 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 3cxf s TYR 105 CO 0.02 -0.46 -0.15 0.99 -1.11 0.00 0.00 175.55 174.83 3cxf s THR 106 N 1.14 2.19 -0.45 -0.71 2.01 -0.72 0.76 115.64 119.86 3cxf s THR 106 Ca 0.01 -1.18 -0.17 0.00 0.31 0.00 0.00 61.69 60.66 3cxf s THR 106 Cb -0.14 -2.07 0.04 0.00 0.01 0.00 0.00 72.50 70.34 3cxf s THR 106 CO -0.02 0.31 0.47 -0.63 -0.69 0.00 0.00 174.62 174.06 3cxf s ILE 107 N 1.23 5.08 -0.19 1.82 -1.09 -0.01 -0.43 121.20 127.61 3cxf s ILE 107 Ca -0.00 -0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 3cxf s ILE 107 Cb -0.16 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3cxf s ILE 107 CO -0.09 -0.54 0.21 0.00 -1.23 0.00 0.00 174.94 173.28 3cxf s ALA 108 N 2.12 3.64 -0.07 9.38 0.00 0.15 -1.64 121.76 135.34 3cxf s ALA 108 Ca 0.11 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3cxf s ALA 108 Cb -0.19 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.64 3cxf s ALA 108 CO 0.11 0.05 -0.16 0.00 0.00 0.00 0.00 175.76 175.76 3cxf s ALA 109 N 0.58 1.54 -0.21 0.00 0.00 0.03 0.49 121.76 124.18 3cxf s ALA 109 Ca 0.11 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 3cxf s ALA 109 Cb -0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 3cxf s ALA 109 CO 0.02 0.18 -0.08 -1.17 0.00 0.00 0.00 175.76 174.70 3cxf s LEU 110 N 0.53 2.74 -0.03 0.00 2.96 0.65 -0.26 118.68 125.27 3cxf s LEU 110 Ca -0.15 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3cxf s LEU 110 Cb -0.16 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3cxf s LEU 110 CO 0.05 -0.01 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.29 3cxf s LEU 111 N 1.39 3.42 0.02 -0.68 1.43 0.70 -0.97 118.68 123.99 3cxf s LEU 111 Ca 0.05 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3cxf s LEU 111 Cb -0.14 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3cxf s LEU 111 CO -0.05 0.32 0.04 -0.44 0.23 0.00 0.00 176.35 176.46 3cxf s SER 112 N -1.23 0.19 0.39 2.29 0.01 0.60 -0.24 113.70 115.71 3cxf s SER 112 Ca 0.16 -0.48 0.15 0.00 1.31 0.00 0.00 55.95 57.09 3cxf s SER 112 Cb -0.11 0.17 1.01 0.00 0.21 0.00 0.00 66.02 67.29 3cxf s SER 112 CO 0.06 -0.40 1.81 -0.65 0.41 0.00 0.00 173.24 174.48 3cxf h PRO 113 N 4.18 0.47 -0.03 12.44 0.11 -2.00 -2.52 132.00 144.66 3cxf h PRO 113 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3cxf h PRO 113 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3cxf h PRO 113 CO 0.45 0.31 0.00 0.72 -0.21 0.00 0.00 178.00 179.28 3cxf n HIS 114 N -4.60 0.09 -3.62 0.65 8.25 -1.26 -1.39 115.22 113.33 3cxf n HIS 114 Ca 0.22 -0.87 -0.12 0.00 -0.26 0.00 0.00 57.72 56.69 3cxf n HIS 114 Cb 0.72 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.35 -0.59 0.02 0.41 0.15 -0.95 -5.02 113.70 105.36 3cxf s SER 115 Ca 0.26 1.08 -0.06 0.00 0.70 0.00 0.00 55.95 57.92 3cxf s SER 115 Cb 0.22 1.07 -0.00 0.00 -1.71 0.00 0.00 66.02 65.59 3cxf s SER 115 CO 0.03 -0.25 0.11 -0.72 1.20 0.00 0.00 173.24 173.62 3cxf s TYR 116 N 0.08 0.11 -0.02 3.44 -0.85 -1.26 -0.29 117.35 118.56 3cxf s TYR 116 Ca 0.00 -0.29 0.06 0.00 -0.52 0.00 0.00 57.07 56.32 3cxf s TYR 116 Cb -0.04 -0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 3cxf s TYR 116 CO -0.01 -0.31 -0.20 0.45 -1.52 0.00 0.00 175.55 173.96 3cxf s SER 117 N -1.66 2.37 -0.04 -0.18 0.15 -0.14 -4.97 113.70 109.24 3cxf s SER 117 Ca -0.11 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.18 3cxf s SER 117 Cb -0.06 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 63.99 3cxf s SER 117 CO -0.01 0.24 -0.04 0.28 1.20 0.00 0.00 173.24 174.92 3cxf s THR 118 N -0.45 0.47 0.05 6.45 -1.32 -1.26 -0.25 115.64 119.33 3cxf s THR 118 Ca 0.07 -0.10 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 3cxf s THR 118 Cb -0.08 -0.50 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 3cxf s THR 118 CO -0.01 0.20 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.55 3cxf s THR 119 N 0.84 1.30 -0.28 5.08 2.01 0.18 -4.96 115.64 119.81 3cxf s THR 119 Ca -0.11 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 3cxf s THR 119 Cb -0.14 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.22 3cxf s THR 119 CO -0.00 0.01 0.03 0.00 -0.69 0.00 0.00 174.62 173.98 3cxf s ALA 120 N -0.92 2.94 -0.44 7.40 0.00 -1.26 0.33 121.76 129.80 3cxf s ALA 120 Ca 0.03 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 3cxf s ALA 120 Cb -0.09 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.08 3cxf s ALA 120 CO 0.02 -0.92 0.37 0.08 0.00 0.00 0.00 175.76 175.31 3cxf s VAL 121 N 1.43 5.21 -0.38 0.00 1.01 0.43 -4.95 120.40 123.15 3cxf s VAL 121 Ca 0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 3cxf s VAL 121 Cb -0.17 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.21 3cxf s VAL 121 CO 0.00 -0.47 0.20 -0.69 0.00 0.00 0.00 175.10 174.14 3cxf s VAL 122 N 1.76 4.18 0.33 2.92 1.01 -1.26 -1.76 120.40 127.59 3cxf s VAL 122 Ca 0.06 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 60.96 3cxf s VAL 122 Cb -0.21 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 3cxf s VAL 122 CO 0.09 -0.33 -0.08 0.42 0.00 0.00 0.00 175.10 175.19 3cxf s THR 123 N 1.45 2.39 -2.35 3.92 -4.23 -1.06 -4.94 115.64 110.82 3cxf s THR 123 Ca 0.01 -2.17 0.19 0.00 -1.18 0.00 0.00 61.69 58.54 3cxf s THR 123 Cb -0.21 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.14 3cxf s THR 123 CO 0.04 -0.23 1.10 -3.20 -0.54 0.00 0.00 174.62 171.78