#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfw n LEU 2 N 0.00 2.07 -0.15 0.00 -0.00 -1.26 -2.65 117.00 115.00 1sfw n LEU 2 Ca 0.00 0.32 -0.10 0.00 -0.00 0.00 0.00 56.01 56.23 1sfw n LEU 2 Cb 0.00 -0.92 -0.01 0.00 -0.00 0.00 0.00 43.42 42.50 1sfw n LEU 2 CO 0.00 0.51 0.82 4.11 -0.00 0.00 0.00 177.39 182.82 1sfw h TRP 3 N -0.82 0.81 0.00 1.96 0.09 -1.98 -0.11 115.95 115.90 1sfw h TRP 3 Ca -0.52 -0.13 -0.05 0.00 0.09 0.00 0.00 58.89 58.28 1sfw h TRP 3 Cb 1.55 -0.22 -0.01 0.00 0.08 0.00 0.00 29.16 30.57 1sfw h TRP 3 CO 0.02 0.79 -0.25 1.96 0.09 0.00 0.00 178.44 181.05 1sfw h GLN 4 N 0.60 0.00 0.07 0.12 4.20 -1.91 -3.15 115.11 115.04 1sfw h GLN 4 Ca 0.13 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.59 1sfw h GLN 4 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1sfw h GLN 4 CO 0.02 0.25 -1.14 0.27 -0.67 0.00 0.00 178.83 177.55 1sfw h PHE 5 N 0.00 0.26 -0.66 2.96 -0.00 -1.44 -3.39 116.94 114.67 1sfw h PHE 5 Ca -0.00 -0.19 0.13 0.00 -0.00 0.00 0.00 57.97 57.90 1sfw h PHE 5 Cb 0.83 -0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 36.73 1sfw h PHE 5 CO 0.00 1.15 0.45 0.00 -0.00 0.00 0.00 178.31 179.91 1sfw h ARG 6 N 0.04 0.36 0.35 6.09 -0.00 -0.97 0.78 114.38 121.03 1sfw h ARG 6 Ca -0.08 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.36 1sfw h ARG 6 Cb 1.88 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.77 1sfw h ARG 6 CO 0.17 0.24 -0.17 0.77 0.00 0.00 0.00 179.97 180.98 1sfw h SER 7 N 0.37 -0.40 -1.21 7.04 0.02 -1.74 -1.50 113.55 116.14 1sfw h SER 7 Ca 0.32 -0.04 0.35 0.00 -0.84 0.00 0.00 61.79 61.57 1sfw h SER 7 Cb 0.73 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1sfw h SER 7 CO -0.09 0.06 0.87 0.00 -1.14 0.00 0.00 176.83 176.53 1sfw h MET 8 N -1.09 0.00 0.11 3.45 -0.00 -1.80 -2.06 114.93 113.54 1sfw h MET 8 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1sfw h MET 8 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 1sfw h MET 8 CO 0.08 0.00 -0.06 0.82 -0.00 0.00 0.00 176.91 177.75 1sfw h ILE 9 N 0.00 1.01 0.00 -0.10 1.08 -0.48 0.13 117.51 119.15 1sfw h ILE 9 Ca 0.57 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1sfw h ILE 9 Cb 2.31 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 37.36 1sfw h ILE 9 CO -0.01 0.11 0.00 2.29 -0.69 0.00 0.00 178.15 179.86 1sfw n LYS 10 N -5.06 0.26 -0.05 2.37 -0.00 -0.60 -0.53 118.16 114.56 1sfw n LYS 10 Ca -0.08 0.09 -0.22 0.00 -0.00 0.00 0.00 58.31 58.10 1sfw n LYS 10 Cb 0.17 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.57 1sfw n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sfw n ALA 12 N -3.21 1.41 -2.74 0.00 0.00 0.43 -3.95 120.51 112.44 1sfw n ALA 12 Ca -0.34 0.85 -0.35 0.00 0.00 0.00 0.00 53.44 53.60 1sfw n ALA 12 Cb 0.91 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 1sfw n ALA 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sfw s ILE 13 N -5.20 5.40 -1.18 0.00 -1.09 0.31 -4.56 121.20 114.87 1sfw s ILE 13 Ca -0.07 0.26 -0.20 0.00 -2.23 0.00 0.00 60.65 58.40 1sfw s ILE 13 Cb 0.30 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 1sfw s ILE 13 CO 0.82 0.45 1.90 -0.81 -1.23 0.00 0.00 174.94 176.08 1sfw n PRO 14 N 3.33 2.19 -0.73 2.79 -0.05 -1.26 -4.65 135.00 136.63 1sfw n PRO 14 Ca -0.16 -2.63 0.00 0.00 -0.05 0.00 0.00 63.50 60.66 1sfw n PRO 14 Cb 0.52 -3.48 0.00 0.00 -0.05 0.00 0.00 33.50 30.49 1sfw n PRO 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1sfw n GLY 15 N 5.29 4.87 0.00 0.55 0.00 -1.25 -5.13 105.19 109.52 1sfw n GLY 15 Ca 0.48 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1sfw n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sfw n SER 16 N -1.04 0.00 -4.65 1.61 2.88 -1.26 -5.01 113.62 106.14 1sfw n SER 16 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1sfw n SER 16 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1sfw n SER 16 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1sfw s HIS 17 N 0.89 2.70 0.17 0.66 0.00 -1.26 -4.79 115.29 113.65 1sfw s HIS 17 Ca 0.00 0.89 -0.13 0.00 -3.00 0.00 0.00 55.06 52.83 1sfw s HIS 17 Cb 0.00 -3.69 0.06 0.00 -4.00 0.00 0.00 32.58 24.95 1sfw s HIS 17 CO 0.00 -1.89 1.73 -1.00 -1.00 0.00 0.00 174.74 172.58 1sfw h PRO 18 N 8.79 0.82 0.00 -0.38 0.13 -1.92 -3.40 132.00 136.05 1sfw h PRO 18 Ca -0.27 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1sfw h PRO 18 Cb 1.11 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1sfw h PRO 18 CO 0.99 0.70 0.00 1.28 -0.23 0.00 0.00 178.00 180.74 1sfw n LEU 19 N -4.52 0.00 0.00 1.56 4.77 -1.26 -4.59 117.00 112.95 1sfw n LEU 19 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1sfw n LEU 19 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1sfw n LEU 19 CO 0.38 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.67 1sfw n MET 20 N 0.00 0.00 0.00 3.23 2.81 -1.26 -1.30 117.12 120.59 1sfw n MET 20 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1sfw n MET 20 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1sfw n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1sfw n ASP 21 N 0.00 0.00 0.00 7.83 2.03 -1.26 -4.38 116.55 120.77 1sfw n ASP 21 Ca 0.00 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1sfw n ASP 21 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1sfw n ASP 21 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1sfw n PHE 22 N -1.25 0.00 -0.34 -0.67 3.72 -0.42 -4.58 117.46 113.92 1sfw n PHE 22 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1sfw n PHE 22 Cb 0.04 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.77 1sfw n PHE 22 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1sfw n ASN 23 N -1.29 -0.24 -0.03 4.37 5.15 -1.05 -2.35 115.26 119.82 1sfw n ASN 23 Ca 0.00 1.62 0.06 0.00 -0.60 0.00 0.00 54.58 55.67 1sfw n ASN 23 Cb 0.00 -0.53 -0.17 0.00 -0.53 0.00 0.00 39.78 38.55 1sfw n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1sfw n ASN 24 N -5.49 0.03 -4.68 1.20 3.02 -1.26 -2.52 115.26 105.56 1sfw n ASN 24 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 1sfw n ASN 24 Cb 0.58 1.78 -0.03 0.00 -0.61 0.00 0.00 39.78 41.50 1sfw n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sfw s TYR 25 N -3.29 2.17 0.00 3.10 6.14 -0.99 -4.30 117.35 120.19 1sfw s TYR 25 Ca -0.08 0.11 0.00 0.00 0.64 0.00 0.00 57.07 57.74 1sfw s TYR 25 Cb 0.12 -4.06 0.00 0.00 0.42 0.00 0.00 41.96 38.44 1sfw s TYR 25 CO 0.89 -4.39 0.00 0.41 0.64 0.00 0.00 175.55 173.10 1sfw n GLY 26 N 4.15 0.86 3.60 8.97 0.00 -1.20 -4.23 105.19 117.33 1sfw n GLY 26 Ca 0.17 0.63 -0.09 0.00 0.00 0.00 0.00 46.02 46.73 1sfw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfw n TYR 28 N -0.38 0.00 -2.19 0.00 4.01 -0.43 -4.80 117.16 113.37 1sfw n TYR 28 Ca -0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 1sfw n TYR 28 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.61 1sfw n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sfw n GLY 30 N 5.76 2.10 0.22 0.00 0.00 -1.26 -2.53 105.19 109.48 1sfw n GLY 30 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1sfw n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sfw n LEU 31 N 0.00 0.00 -4.66 0.99 7.94 -1.26 -5.02 117.00 114.98 1sfw n LEU 31 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1sfw n LEU 31 Cb 0.00 -0.20 -0.02 0.00 0.53 0.00 0.00 43.42 43.72 1sfw n LEU 31 CO 0.00 -0.32 0.90 -0.83 -1.11 0.00 0.00 177.39 176.04 1sfw s GLY 32 N -2.39 1.77 0.00 -3.96 0.00 -1.05 -4.93 107.32 96.76 1sfw s GLY 32 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1sfw s GLY 32 CO 0.00 2.16 0.00 0.61 0.00 0.00 0.00 173.10 175.87 1sfw n GLY 33 N 3.30 -2.44 3.64 0.20 0.00 -1.26 -1.31 105.19 107.32 1sfw n GLY 33 Ca 0.12 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.31 1sfw n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sfw s SER 34 N -2.85 -0.37 0.00 1.61 0.15 -1.26 -4.68 113.70 106.30 1sfw s SER 34 Ca 0.00 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1sfw s SER 34 Cb 0.00 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1sfw s SER 34 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1sfw n GLY 35 N 2.33 -0.35 3.00 9.45 0.00 -1.26 -5.06 105.19 113.30 1sfw n GLY 35 Ca -0.13 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1sfw n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfw s THR 36 N 0.00 0.02 0.00 2.61 -4.23 -1.26 -4.84 115.64 107.93 1sfw s THR 36 Ca 0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1sfw s THR 36 Cb 0.00 -0.20 0.00 0.00 1.34 0.00 0.00 72.50 73.64 1sfw s THR 36 CO 0.00 -0.07 0.00 -0.81 -0.54 0.00 0.00 174.62 173.20 1sfw n PRO 37 N 2.76 3.92 0.07 3.99 -0.04 -1.26 -5.05 135.00 139.38 1sfw n PRO 37 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1sfw n PRO 37 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1sfw n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1sfw n VAL 38 N 0.00 0.79 -2.87 0.52 0.24 -1.26 -5.06 118.33 110.68 1sfw n VAL 38 Ca 0.00 0.26 -0.23 0.00 -2.04 0.00 0.00 64.34 62.33 1sfw n VAL 38 Cb 0.00 -1.21 0.02 0.00 -1.47 0.00 0.00 33.84 31.17 1sfw n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sfw s ASP 39 N -5.60 5.76 0.19 -1.34 -1.08 -1.26 -4.96 116.67 108.38 1sfw s ASP 39 Ca 0.00 0.33 -0.15 0.00 -0.52 0.00 0.00 52.55 52.21 1sfw s ASP 39 Cb 0.00 -1.52 0.16 0.00 -1.46 0.00 0.00 42.92 40.10 1sfw s ASP 39 CO 0.00 -0.78 1.65 -0.08 0.52 0.00 0.00 175.17 176.48 1sfw h GLU 40 N 0.29 0.00 -0.49 4.34 4.22 -2.00 -2.17 114.58 118.77 1sfw h GLU 40 Ca -0.46 -0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.06 1sfw h GLU 40 Cb 1.26 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1sfw h GLU 40 CO 0.57 0.00 0.33 1.25 -2.18 0.00 0.00 179.01 178.98 1sfw h LEU 41 N 0.00 0.30 0.00 1.64 7.12 -1.93 0.54 115.31 122.98 1sfw h LEU 41 Ca 0.24 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1sfw h LEU 41 Cb 0.37 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1sfw h LEU 41 CO -0.52 0.19 0.00 0.47 -0.13 0.00 0.00 178.44 178.45 1sfw n ASP 42 N -4.47 0.00 0.00 1.25 8.00 -1.08 -3.85 116.55 116.40 1sfw n ASP 42 Ca 0.07 -0.29 -0.17 0.00 0.71 0.00 0.00 54.79 55.11 1sfw n ASP 42 Cb 0.31 -0.23 -0.12 0.00 -0.02 0.00 0.00 41.12 41.06 1sfw n ASP 42 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1sfw h ARG 43 N 0.00 0.31 -0.14 -1.24 2.47 -0.23 -1.79 114.38 113.75 1sfw h ARG 43 Ca 0.00 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1sfw h ARG 43 Cb 0.23 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1sfw h ARG 43 CO 0.00 1.08 0.00 0.00 0.56 0.00 0.00 179.97 181.61 1sfw h GLU 46 N -0.42 0.39 0.00 0.00 -0.00 -1.05 -3.20 114.58 110.30 1sfw h GLU 46 Ca -0.63 -0.11 -0.07 0.00 -0.00 0.00 0.00 59.36 58.55 1sfw h GLU 46 Cb 1.78 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 30.47 1sfw h GLU 46 CO -0.23 0.53 -1.50 2.41 -0.00 0.00 0.00 179.01 180.22 1sfw n THR 47 N -4.22 0.66 -2.03 -1.06 -1.04 -0.89 -0.96 114.28 104.74 1sfw n THR 47 Ca 0.00 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.05 60.99 1sfw n THR 47 Cb 0.31 -0.36 -0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1sfw n THR 47 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1sfw n HIS 48 N -2.62 3.01 0.00 -1.42 -0.00 -1.10 -0.45 115.22 112.63 1sfw n HIS 48 Ca -0.06 -2.87 0.00 0.00 0.46 0.00 0.00 57.72 55.25 1sfw n HIS 48 Cb 0.68 -2.15 0.00 0.00 -0.12 0.00 0.00 29.99 28.40 1sfw n HIS 48 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1sfw n ASP 49 N 4.18 0.00 0.09 0.26 9.92 -1.25 -4.46 116.55 125.29 1sfw n ASP 49 Ca 0.49 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.67 1sfw n ASP 49 Cb 0.34 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.79 1sfw n ASP 49 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1sfw h ASN 50 N 0.00 0.20 0.67 -2.24 2.35 -0.84 -1.54 115.58 114.18 1sfw h ASN 50 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1sfw h ASN 50 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1sfw h ASN 50 CO 0.00 1.02 -0.51 0.00 -1.65 0.00 0.00 177.43 176.29 1sfw h TYR 52 N 0.00 0.53 -0.94 0.00 3.20 -1.44 -3.19 116.97 115.14 1sfw h TYR 52 Ca 0.00 -0.39 0.24 0.00 3.14 0.00 0.00 58.73 61.72 1sfw h TYR 52 Cb 0.59 -0.02 -0.13 0.00 1.54 0.00 0.00 36.73 38.71 1sfw h TYR 52 CO 0.00 1.49 0.46 0.07 -1.64 0.00 0.00 178.16 178.54 1sfw h ARG 53 N -0.27 0.41 0.00 1.82 -0.00 -1.41 -3.39 114.38 111.54 1sfw h ARG 53 Ca -0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.70 1sfw h ARG 53 Cb 1.78 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 31.65 1sfw h ARG 53 CO 0.11 0.27 0.00 -3.47 -0.00 0.00 0.00 179.97 176.88 1sfw n ASP 54 N -5.02 0.00 -0.26 0.08 2.03 -1.20 -2.49 116.55 109.70 1sfw n ASP 54 Ca 0.24 -0.50 0.04 0.00 0.52 0.00 0.00 54.79 55.10 1sfw n ASP 54 Cb 0.72 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.27 1sfw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sfw h ALA 55 N 2.52 0.73 0.00 -1.67 0.00 -1.81 0.16 119.26 119.20 1sfw h ALA 55 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1sfw h ALA 55 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sfw h ALA 55 CO 0.00 -0.42 0.00 1.17 0.00 0.00 0.00 179.25 180.00 1sfw n LYS 56 N -5.37 0.00 -0.00 0.00 4.81 -1.04 -3.67 118.16 112.89 1sfw n LYS 56 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1sfw n LYS 56 Cb 0.46 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.51 1sfw n LYS 56 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sfw n ASN 57 N -3.42 0.04 -1.45 3.14 5.15 -0.35 -2.35 115.26 116.02 1sfw n ASN 57 Ca 0.00 0.01 0.07 0.00 -0.60 0.00 0.00 54.58 54.06 1sfw n ASN 57 Cb 0.00 -0.38 -0.04 0.00 -0.53 0.00 0.00 39.78 38.83 1sfw n ASN 57 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1sfw n LEU 58 N -2.54 -1.22 0.30 1.20 7.94 0.43 -4.18 117.00 118.93 1sfw n LEU 58 Ca -0.00 2.36 0.18 0.00 -1.11 0.00 0.00 56.01 57.44 1sfw n LEU 58 Cb 0.01 -2.97 0.94 0.00 0.53 0.00 0.00 43.42 41.93 1sfw n LEU 58 CO 0.00 -1.29 1.08 0.44 -1.11 0.00 0.00 177.39 176.51 1sfw h ASP 59 N -0.60 0.00 0.00 1.96 5.19 -1.95 -3.39 116.42 117.63 1sfw h ASP 59 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1sfw h ASP 59 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1sfw h ASP 59 CO 0.03 0.03 0.00 -0.24 -3.12 0.00 0.00 179.24 175.95 1sfw n SER 60 N -3.32 0.00 -4.09 6.45 2.88 -1.26 -5.06 113.62 109.22 1sfw n SER 60 Ca -0.02 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.21 1sfw n SER 60 Cb 0.17 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.47 1sfw n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n LYS 62 N 4.47 4.16 -3.77 0.00 0.00 -1.26 -3.43 118.16 118.34 1sfw n LYS 62 Ca -0.19 -4.16 -0.32 0.00 -0.00 0.00 0.00 58.31 53.63 1sfw n LYS 62 Cb 0.51 -2.67 -0.05 0.00 -0.00 0.00 0.00 35.03 32.82 1sfw n LYS 62 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1sfw s PHE 63 N -1.57 3.52 0.42 5.58 5.36 -0.99 -4.99 117.98 125.30 1sfw s PHE 63 Ca 0.34 0.48 0.01 0.00 -0.96 0.00 0.00 56.93 56.80 1sfw s PHE 63 Cb 0.07 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1sfw s PHE 63 CO 0.07 0.53 0.63 -0.48 -1.46 0.00 0.00 175.22 174.51 1sfw s LEU 64 N -2.33 3.73 0.00 6.12 -0.00 -1.26 -4.13 118.68 120.81 1sfw s LEU 64 Ca 0.35 0.25 0.00 0.00 -0.00 0.00 0.00 54.13 54.73 1sfw s LEU 64 Cb -0.13 -3.13 0.00 0.00 -0.00 0.00 0.00 46.19 42.93 1sfw s LEU 64 CO 0.23 -0.62 0.00 1.33 -0.00 0.00 0.00 176.35 177.29 1sfw n VAL 65 N -1.99 0.00 -3.43 1.48 0.24 -1.26 -4.50 118.33 108.86 1sfw n VAL 65 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 1sfw n VAL 65 Cb 0.58 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.92 1sfw n VAL 65 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1sfw n ASP 66 N 4.25 5.00 -0.11 -1.34 5.75 -1.26 -4.88 116.55 123.97 1sfw n ASP 66 Ca 0.00 -3.14 -0.18 0.00 -0.01 0.00 0.00 54.79 51.46 1sfw n ASP 66 Cb 0.00 -1.20 -0.06 0.00 -1.03 0.00 0.00 41.12 38.83 1sfw n ASP 66 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sfw n ASN 67 N 2.29 1.90 -0.31 -1.12 3.02 -1.26 -4.69 115.26 115.09 1sfw n ASN 67 Ca 0.24 0.33 0.03 0.00 -0.03 0.00 0.00 54.58 55.14 1sfw n ASN 67 Cb 0.38 -0.76 0.22 0.00 -0.61 0.00 0.00 39.78 39.01 1sfw n ASN 67 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1sfw h PRO 68 N -0.96 1.05 -4.03 3.52 0.13 -1.79 -3.34 132.00 126.57 1sfw h PRO 68 Ca -0.31 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 64.52 1sfw h PRO 68 Cb 1.25 -0.24 -0.25 0.00 0.13 0.00 0.00 31.00 31.89 1sfw h PRO 68 CO -0.19 0.70 -0.72 0.71 -0.23 0.00 0.00 178.00 178.27 1sfw s TYR 69 N -5.94 0.26 0.00 1.56 2.02 -1.26 -3.94 117.35 110.05 1sfw s TYR 69 Ca -0.12 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 1sfw s TYR 69 Cb 0.19 -0.17 0.00 0.00 -0.40 0.00 0.00 41.96 41.58 1sfw s TYR 69 CO 0.80 -0.07 0.00 0.25 -1.57 0.00 0.00 175.55 174.96 1sfw n THR 70 N 2.36 0.00 0.00 -0.71 -2.24 -1.26 -4.88 114.28 107.55 1sfw n THR 70 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1sfw n THR 70 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1sfw n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sfw n GLU 71 N 0.00 0.00 -0.60 -0.78 -0.58 -1.26 -4.89 120.64 112.53 1sfw n GLU 71 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1sfw n GLU 71 Cb 0.00 -0.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1sfw n GLU 71 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1sfw n SER 72 N -2.70 1.73 0.00 1.62 2.88 -1.26 -4.59 113.62 111.30 1sfw n SER 72 Ca 0.00 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1sfw n SER 72 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1sfw n SER 72 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1sfw n TYR 73 N -0.04 0.00 -2.93 0.66 4.02 -1.26 -4.04 117.16 113.57 1sfw n TYR 73 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 1sfw n TYR 73 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1sfw n TYR 73 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1sfw s SER 74 N 0.00 -0.44 0.00 7.72 0.15 -1.26 -4.83 113.70 115.03 1sfw s SER 74 Ca 0.00 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1sfw s SER 74 Cb 0.00 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1sfw s SER 74 CO 0.00 -0.06 0.00 0.00 1.20 0.00 0.00 173.24 174.38 1sfw n TYR 75 N 4.26 0.00 -2.06 3.44 4.11 -1.26 -3.53 117.16 122.12 1sfw n TYR 75 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.97 1sfw n TYR 75 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.95 1sfw n TYR 75 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1sfw n SER 76 N 0.00 0.00 0.00 9.48 2.88 -1.26 -4.96 113.62 119.75 1sfw n SER 76 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sfw n SER 76 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sfw n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw s SER 78 N 0.00 -1.09 0.00 0.00 0.01 0.19 -4.95 113.70 107.86 1sfw s SER 78 Ca 0.00 1.56 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1sfw s SER 78 Cb 0.00 2.05 0.00 0.00 0.21 0.00 0.00 66.02 68.28 1sfw s SER 78 CO 0.00 -0.22 0.00 0.59 0.41 0.00 0.00 173.24 174.02 1sfw n ASN 79 N 5.13 0.00 0.00 2.44 3.02 -1.26 -0.98 115.26 123.61 1sfw n ASN 79 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1sfw n ASN 79 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1sfw n ASN 79 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sfw n THR 80 N -0.22 0.00 -4.85 3.41 -2.24 -1.25 -4.97 114.28 104.15 1sfw n THR 80 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1sfw n THR 80 Cb 0.00 -0.07 -0.17 0.00 -2.10 0.00 0.00 70.33 67.99 1sfw n THR 80 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sfw s GLU 81 N -0.15 2.68 0.00 -0.78 2.02 -0.15 -3.84 118.70 118.48 1sfw s GLU 81 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1sfw s GLU 81 Cb 0.00 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1sfw s GLU 81 CO 0.00 0.07 0.00 -0.89 0.02 0.00 0.00 175.26 174.46 1sfw n ILE 82 N 3.82 0.00 -3.98 -1.63 -0.00 -1.26 -0.63 119.36 115.67 1sfw n ILE 82 Ca -0.20 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.58 1sfw n ILE 82 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 40.17 1sfw n ILE 82 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1sfw n THR 83 N 0.00 0.00 -3.61 1.39 5.66 -1.26 -4.91 114.28 111.55 1sfw n THR 83 Ca 0.00 -0.07 -0.11 0.00 -3.05 0.00 0.00 64.05 60.82 1sfw n THR 83 Cb 0.00 0.38 -0.06 0.00 -1.55 0.00 0.00 70.33 69.10 1sfw n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sfw s ASN 85 N -0.25 2.35 -0.39 0.00 3.84 -1.23 -4.90 114.94 114.35 1sfw s ASN 85 Ca 0.00 1.74 0.06 0.00 0.21 0.00 0.00 52.86 54.87 1sfw s ASN 85 Cb -0.03 -2.36 0.43 0.00 -0.55 0.00 0.00 41.25 38.74 1sfw s ASN 85 CO -0.02 -3.38 1.17 -0.24 -2.79 0.00 0.00 177.10 171.83 1sfw n SER 86 N -4.39 4.88 -3.51 -4.21 2.88 -1.26 -4.73 113.62 103.28 1sfw n SER 86 Ca 0.07 -3.73 -0.40 0.00 -1.33 0.00 0.00 58.87 53.47 1sfw n SER 86 Cb 0.54 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 1sfw n SER 86 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1sfw n LYS 87 N -0.58 3.85 -2.44 -1.46 2.85 -1.26 -4.94 118.16 114.19 1sfw n LYS 87 Ca 0.41 -2.87 -0.42 0.00 -1.05 0.00 0.00 58.31 54.39 1sfw n LYS 87 Cb 0.77 -2.84 -0.00 0.00 -0.65 0.00 0.00 35.03 32.31 1sfw n LYS 87 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1sfw n ASN 88 N 3.42 4.67 -4.73 -5.58 6.94 -1.26 -4.44 115.26 114.27 1sfw n ASN 88 Ca 0.64 -2.89 -0.36 0.00 -0.02 0.00 0.00 54.58 51.94 1sfw n ASN 88 Cb 0.28 -1.73 -0.07 0.00 -2.36 0.00 0.00 39.78 35.90 1sfw n ASN 88 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1sfw s ASN 89 N 4.28 6.42 0.57 0.53 2.20 -1.26 -4.99 114.94 122.68 1sfw s ASN 89 Ca 0.54 0.49 0.29 0.00 -0.94 0.00 0.00 52.86 53.24 1sfw s ASN 89 Cb 0.05 -2.17 1.47 0.00 -2.00 0.00 0.00 41.25 38.60 1sfw s ASN 89 CO 0.07 0.12 1.91 0.00 -2.94 0.00 0.00 177.10 176.26 1sfw h ALA 90 N 6.59 2.41 -0.47 3.54 0.00 -1.93 -2.78 119.26 126.61 1sfw h ALA 90 Ca -0.42 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1sfw h ALA 90 Cb 1.17 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1sfw h ALA 90 CO 0.75 -0.81 -0.27 0.00 0.00 0.00 0.00 179.25 178.92 1sfw h GLU 92 N 0.00 0.00 -0.91 0.00 4.11 -1.74 -3.38 114.58 112.66 1sfw h GLU 92 Ca 0.08 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.69 1sfw h GLU 92 Cb 0.20 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1sfw h GLU 92 CO -0.44 0.00 0.59 0.00 0.07 0.00 0.00 179.01 179.23 1sfw h ALA 93 N -1.35 2.01 -0.32 1.06 0.00 -1.54 0.61 119.26 119.73 1sfw h ALA 93 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1sfw h ALA 93 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sfw h ALA 93 CO 0.00 -0.29 -0.32 0.35 0.00 0.00 0.00 179.25 179.00 1sfw h PHE 94 N 0.55 0.94 -0.41 0.00 3.04 -1.22 -2.63 116.94 117.21 1sfw h PHE 94 Ca 0.48 -0.28 -0.11 0.00 3.98 0.00 0.00 57.97 62.03 1sfw h PHE 94 Cb 0.98 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1sfw h PHE 94 CO -0.00 1.06 -0.19 0.82 -2.02 0.00 0.00 178.31 177.97 1sfw h ILE 95 N 0.56 1.27 -0.88 1.41 5.03 -1.35 -2.53 117.51 121.02 1sfw h ILE 95 Ca 0.05 -1.30 0.23 0.00 -0.12 0.00 0.00 64.86 63.72 1sfw h ILE 95 Cb 0.90 1.15 -0.15 0.00 -3.03 0.00 0.00 36.82 35.69 1sfw h ILE 95 CO 0.08 0.44 0.16 0.00 -0.68 0.00 0.00 178.15 178.14 1sfw h ASN 97 N 0.14 0.96 -0.54 0.00 -1.24 -1.07 -2.88 115.58 110.96 1sfw h ASN 97 Ca 0.54 -0.55 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1sfw h ASN 97 Cb 1.09 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 1sfw h ASN 97 CO -0.71 1.35 0.15 0.00 -1.29 0.00 0.00 177.43 176.93 1sfw h ASP 99 N 0.75 -0.93 -0.62 0.00 3.32 -1.27 -1.93 116.42 115.75 1sfw h ASP 99 Ca 0.17 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1sfw h ASP 99 Cb 0.31 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1sfw h ASP 99 CO -0.00 -0.55 0.40 0.03 -1.72 0.00 0.00 179.24 177.40 1sfw h ARG 100 N -0.85 0.78 0.00 3.56 2.47 -1.59 0.20 114.38 118.95 1sfw h ARG 100 Ca -0.06 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1sfw h ARG 100 Cb 0.71 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1sfw h ARG 100 CO 0.03 0.52 0.00 -0.97 0.56 0.00 0.00 179.97 180.11 1sfw h ASN 101 N 0.81 0.00 0.73 7.04 -1.24 -1.43 -1.17 115.58 120.31 1sfw h ASN 101 Ca 0.23 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.02 1sfw h ASN 101 Cb -0.06 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1sfw h ASN 101 CO -0.07 0.00 -1.01 0.00 -1.29 0.00 0.00 177.43 175.07 1sfw h ALA 102 N 2.13 0.36 0.00 1.57 0.00 -0.81 -2.42 119.26 120.09 1sfw h ALA 102 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1sfw h ALA 102 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sfw h ALA 102 CO 0.00 1.03 0.00 0.00 0.00 0.00 0.00 179.25 180.28 1sfw h ALA 103 N 0.89 1.00 0.09 0.00 0.00 0.65 0.21 119.26 122.09 1sfw h ALA 103 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1sfw h ALA 103 Cb 1.70 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1sfw h ALA 103 CO 0.15 0.00 -1.96 -0.89 0.00 0.00 0.00 179.25 176.55 1sfw n ILE 104 N -2.59 1.71 -0.07 0.00 -0.00 -1.02 -0.81 119.36 116.57 1sfw n ILE 104 Ca -0.01 -0.55 -0.11 0.00 -0.00 0.00 0.00 62.75 62.08 1sfw n ILE 104 Cb 0.09 -1.75 -0.04 0.00 -0.00 0.00 0.00 39.64 37.94 1sfw n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1sfw h PHE 106 N 0.22 0.94 0.00 0.00 0.04 -0.71 -1.65 116.94 115.78 1sfw h PHE 106 Ca 0.08 -0.51 -0.03 0.00 2.80 0.00 0.00 57.97 60.30 1sfw h PHE 106 Cb 0.24 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1sfw h PHE 106 CO 0.00 1.35 -0.17 0.66 -0.60 0.00 0.00 178.31 179.55 1sfw h SER 107 N 0.36 0.00 0.00 2.17 4.64 -1.17 -3.46 113.55 116.09 1sfw h SER 107 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1sfw h SER 107 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1sfw h SER 107 CO 0.20 0.17 0.00 2.29 -0.87 0.00 0.00 176.83 178.61 1sfw n LYS 108 N -3.42 0.00 0.00 4.77 2.85 -1.09 -4.90 118.16 116.37 1sfw n LYS 108 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1sfw n LYS 108 Cb 0.35 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 1sfw n LYS 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sfw n ALA 109 N -2.67 0.00 -0.62 0.58 0.00 -0.64 -3.01 120.51 114.16 1sfw n ALA 109 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1sfw n ALA 109 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1sfw n ALA 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sfw n PRO 110 N -0.44 1.28 -1.14 0.00 -0.04 -1.26 -5.05 135.00 128.35 1sfw n PRO 110 Ca 0.00 -0.55 -0.36 0.00 -0.04 0.00 0.00 63.50 62.55 1sfw n PRO 110 Cb 0.00 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1sfw n PRO 110 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1sfw n TYR 111 N 1.08 -2.91 -3.55 0.54 9.36 -1.16 -4.97 117.16 115.55 1sfw n TYR 111 Ca 0.11 0.38 -0.29 0.00 3.32 0.00 0.00 57.90 61.42 1sfw n TYR 111 Cb 0.53 -1.55 -0.15 0.00 -0.63 0.00 0.00 39.34 37.54 1sfw n TYR 111 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1sfw s ASN 112 N -0.93 3.55 -1.31 2.98 0.01 -1.26 -5.06 114.94 112.92 1sfw s ASN 112 Ca 0.51 -1.36 -0.07 0.00 -0.71 0.00 0.00 52.86 51.24 1sfw s ASN 112 Cb -0.43 -0.39 0.14 0.00 0.41 0.00 0.00 41.25 40.97 1sfw s ASN 112 CO 0.63 -0.43 2.23 2.29 -1.51 0.00 0.00 177.10 180.31 1sfw n LYS 113 N 5.16 4.32 0.15 -0.60 -0.00 -1.26 -3.98 118.16 121.94 1sfw n LYS 113 Ca -0.05 -3.49 0.00 0.00 -0.00 0.00 0.00 58.31 54.77 1sfw n LYS 113 Cb 0.42 -2.71 0.00 0.00 -0.00 0.00 0.00 35.03 32.73 1sfw n LYS 113 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1sfw n GLU 114 N 2.33 0.00 -3.00 -1.58 4.07 -1.26 -4.77 120.64 116.43 1sfw n GLU 114 Ca 0.55 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 57.22 1sfw n GLU 114 Cb 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 1sfw n GLU 114 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1sfw n HIS 115 N -3.21 3.88 -3.66 4.31 1.44 -1.26 -4.98 115.22 111.75 1sfw n HIS 115 Ca 0.00 -3.21 -0.24 0.00 -2.01 0.00 0.00 57.72 52.26 1sfw n HIS 115 Cb 0.00 -1.68 -0.02 0.00 0.12 0.00 0.00 29.99 28.41 1sfw n HIS 115 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1sfw s LYS 116 N -1.03 3.48 0.00 -1.40 2.47 -1.26 -3.27 119.74 118.73 1sfw s LYS 116 Ca 0.34 -0.47 0.00 0.00 -1.56 0.00 0.00 55.97 54.29 1sfw s LYS 116 Cb -0.01 -2.79 0.00 0.00 -1.46 0.00 0.00 37.83 33.57 1sfw s LYS 116 CO 0.01 0.32 0.00 -1.71 0.16 0.00 0.00 175.35 174.13 1sfw n ASN 117 N -1.30 0.00 0.00 1.43 2.85 -1.26 -4.96 115.26 112.01 1sfw n ASN 117 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1sfw n ASN 117 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1sfw n ASN 117 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sfw n LEU 118 N 0.00 0.00 0.11 1.20 4.77 -1.26 -4.91 117.00 116.90 1sfw n LEU 118 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sfw n LEU 118 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sfw n LEU 118 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1sfw n ASP 119 N -1.21 -1.89 -0.03 -1.43 2.03 -1.26 -5.12 116.55 107.64 1sfw n ASP 119 Ca 0.00 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1sfw n ASP 119 Cb 0.00 2.00 0.00 0.00 -0.72 0.00 0.00 41.12 42.40 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1sfw n THR 120 N -2.92 -0.02 0.12 5.18 -2.24 -1.26 -4.94 114.28 108.20 1sfw n THR 120 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1sfw n THR 120 Cb 0.00 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1sfw n THR 120 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1sfw n LYS 121 N -0.03 0.00 0.16 -0.78 2.85 -1.25 -4.24 118.16 114.87 1sfw n LYS 121 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1sfw n LYS 121 Cb 0.01 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.31 1sfw n LYS 121 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1sfw h LYS 122 N 0.00 -0.32 0.13 -1.58 1.57 -1.99 -3.35 116.57 111.03 1sfw h LYS 122 Ca 0.00 0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.57 1sfw h LYS 122 Cb 0.00 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1sfw h LYS 122 CO 0.00 -0.21 -1.12 1.88 -0.57 0.00 0.00 179.45 179.42 1sfw h TYR 123 N -0.33 0.50 -0.01 -1.35 0.05 -1.89 -3.50 116.97 110.43 1sfw h TYR 123 Ca -0.03 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1sfw h TYR 123 Cb 0.26 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1sfw h TYR 123 CO -0.07 1.44 0.00 0.00 -1.05 0.00 0.00 178.16 178.48