#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 0.12 -0.34 0.00 -0.00 -1.26 -3.91 117.00 111.62 1sfw n LEU 2 Ca 0.00 0.08 0.23 0.00 -0.00 0.00 0.00 56.01 56.32 1sfw n LEU 2 Cb 0.00 -0.39 0.47 0.00 -0.00 0.00 0.00 43.42 43.49 1sfw n LEU 2 CO 0.00 -0.39 1.12 4.11 -0.00 0.00 0.00 177.39 182.23 1sfw h TRP 3 N 0.00 0.94 -0.05 1.96 0.09 -1.96 -0.28 115.95 116.64 1sfw h TRP 3 Ca 0.00 0.04 -0.23 0.00 0.09 0.00 0.00 58.89 58.79 1sfw h TRP 3 Cb 0.00 -0.25 0.01 0.00 0.08 0.00 0.00 29.16 29.00 1sfw h TRP 3 CO 0.00 -0.15 -0.89 0.37 0.09 0.00 0.00 178.44 177.86 1sfw h GLN 4 N 0.35 0.57 -0.74 0.12 4.15 -1.89 -3.21 115.11 114.46 1sfw h GLN 4 Ca 0.73 -0.54 0.16 0.00 0.77 0.00 0.00 58.65 59.77 1sfw h GLN 4 Cb 1.63 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 29.32 1sfw h GLN 4 CO -0.59 1.17 -0.05 0.35 -1.93 0.00 0.00 178.83 177.77 1sfw h PHE 5 N 0.35 -0.15 -0.82 3.99 3.57 -1.21 -3.31 116.94 119.36 1sfw h PHE 5 Ca -0.08 0.06 0.16 0.00 3.53 0.00 0.00 57.97 61.64 1sfw h PHE 5 Cb 1.51 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 40.34 1sfw h PHE 5 CO 0.07 -0.26 0.38 0.00 -2.23 0.00 0.00 178.31 176.27 1sfw h ARG 6 N 0.07 0.51 0.00 1.11 2.47 -1.29 -2.25 114.38 114.99 1sfw h ARG 6 Ca 0.39 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 59.04 1sfw h ARG 6 Cb 0.67 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1sfw h ARG 6 CO -0.69 0.33 -0.19 1.03 0.56 0.00 0.00 179.97 181.02 1sfw h SER 7 N 0.52 0.00 0.35 7.04 0.87 -1.71 -1.43 113.55 119.20 1sfw h SER 7 Ca 0.46 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.82 1sfw h SER 7 Cb 0.71 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1sfw h SER 7 CO -0.41 0.19 -1.83 0.23 -0.53 0.00 0.00 176.83 174.48 1sfw n MET 8 N -3.59 0.65 -0.31 2.24 2.81 -1.20 -1.62 117.12 116.10 1sfw n MET 8 Ca -0.01 0.08 -0.02 0.00 -1.81 0.00 0.00 57.70 55.94 1sfw n MET 8 Cb 0.33 -1.67 0.15 0.00 -0.71 0.00 0.00 33.22 31.32 1sfw n MET 8 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1sfw h ILE 9 N 0.00 1.24 -0.11 2.02 1.08 -0.86 0.11 117.51 120.99 1sfw h ILE 9 Ca -0.26 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1sfw h ILE 9 Cb 1.70 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1sfw h ILE 9 CO 0.03 0.25 0.00 2.29 -0.69 0.00 0.00 178.15 180.03 1sfw n LYS 10 N -4.37 1.86 -0.10 2.37 -0.00 -0.59 -3.07 118.16 114.27 1sfw n LYS 10 Ca 0.10 -1.27 -0.18 0.00 -0.00 0.00 0.00 58.31 56.95 1sfw n LYS 10 Cb 0.05 -1.45 -0.09 0.00 -0.00 0.00 0.00 35.03 33.54 1sfw n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sfw h ALA 12 N -0.66 2.86 -3.13 0.00 0.00 -0.29 -3.27 119.26 114.76 1sfw h ALA 12 Ca -0.30 0.10 -0.64 0.00 0.00 0.00 0.00 54.91 54.07 1sfw h ALA 12 Cb 1.15 0.20 -0.22 0.00 0.00 0.00 0.00 17.79 18.93 1sfw h ALA 12 CO -0.18 -1.49 -0.64 0.42 0.00 0.00 0.00 179.25 177.36 1sfw s ILE 13 N -5.25 4.15 0.19 0.00 1.09 -1.17 -4.78 121.20 115.44 1sfw s ILE 13 Ca -0.07 -0.24 -0.22 0.00 -1.10 0.00 0.00 60.65 59.01 1sfw s ILE 13 Cb 0.30 -2.89 0.12 0.00 -1.06 0.00 0.00 42.46 38.93 1sfw s ILE 13 CO 0.83 0.42 1.57 -0.65 -0.10 0.00 0.00 174.94 177.01 1sfw h PRO 14 N 7.43 -0.12 0.00 2.79 0.11 -1.78 -3.41 132.00 137.02 1sfw h PRO 14 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1sfw h PRO 14 Cb 1.18 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sfw h PRO 14 CO 0.62 -0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.74 1sfw n GLY 15 N -1.43 -0.13 0.00 -0.55 0.00 -1.26 -4.74 105.19 97.08 1sfw n GLY 15 Ca 0.05 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.00 0.00 -4.66 1.61 2.88 -1.26 -5.08 113.62 106.12 1sfw n SER 16 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1sfw n SER 16 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 2.34 2.09 0.09 0.66 0.00 -1.26 -4.83 115.29 114.38 1sfw s HIS 17 Ca 0.00 0.33 -0.33 0.00 -3.00 0.00 0.00 55.06 52.05 1sfw s HIS 17 Cb 0.00 -3.87 -0.16 0.00 -4.00 0.00 0.00 32.58 24.55 1sfw s HIS 17 CO 0.00 -3.51 1.60 -1.35 -1.00 0.00 0.00 174.74 170.48 1sfw h PRO 18 N 9.51 -0.87 0.00 -0.38 0.11 -1.87 -3.39 132.00 135.12 1sfw h PRO 18 Ca -0.37 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1sfw h PRO 18 Cb 1.17 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1sfw h PRO 18 CO 0.96 -0.58 0.00 1.28 -0.21 0.00 0.00 178.00 179.45 1sfw n LEU 19 N -5.52 0.00 0.00 2.35 4.77 -1.26 -4.67 117.00 112.67 1sfw n LEU 19 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1sfw n LEU 19 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1sfw n LEU 19 CO 0.31 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.60 1sfw n MET 20 N 0.00 0.00 0.00 3.23 2.81 -1.26 -1.90 117.12 120.00 1sfw n MET 20 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 1sfw n MET 20 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.58 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 -4.40 116.55 120.75 1sfw n ASP 21 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1sfw n ASP 21 Cb 0.00 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 -1.03 -0.02 -0.19 -0.67 3.01 -0.80 -4.90 117.46 112.87 1sfw n PHE 22 Ca 0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.55 1sfw n PHE 22 Cb 0.01 0.05 0.15 0.00 -0.01 0.00 0.00 39.48 39.68 1sfw n PHE 22 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1sfw n ASN 23 N -1.60 -0.08 -3.91 4.37 5.15 -1.02 -1.57 115.26 116.60 1sfw n ASN 23 Ca 0.00 0.93 -0.30 0.00 -0.60 0.00 0.00 54.58 54.61 1sfw n ASN 23 Cb 0.00 -0.33 -0.15 0.00 -0.53 0.00 0.00 39.78 38.77 1sfw n ASN 23 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1sfw s ASN 24 N -5.02 4.40 -0.42 1.20 -0.87 -1.26 -2.44 114.94 110.52 1sfw s ASN 24 Ca -0.07 -2.27 0.07 0.00 -1.57 0.00 0.00 52.86 49.02 1sfw s ASN 24 Cb 0.16 -1.40 0.18 0.00 -0.02 0.00 0.00 41.25 40.16 1sfw s ASN 24 CO 0.43 -0.35 0.59 -0.47 -2.57 0.00 0.00 177.10 174.73 1sfw s TYR 25 N 0.76 -1.33 0.00 2.20 6.14 -1.08 -3.11 117.35 120.93 1sfw s TYR 25 Ca 0.13 -0.20 0.00 0.00 0.64 0.00 0.00 57.07 57.64 1sfw s TYR 25 Cb -0.21 0.13 0.00 0.00 0.42 0.00 0.00 41.96 42.31 1sfw s TYR 25 CO -0.09 -1.14 0.00 0.41 0.64 0.00 0.00 175.55 175.36 1sfw n GLY 26 N 4.06 1.24 0.01 8.97 0.00 -1.26 -3.97 105.19 114.24 1sfw n GLY 26 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.21 0.00 -0.54 0.00 0.18 -1.26 -3.22 117.16 110.11 1sfw n TYR 28 Ca -0.03 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.63 1sfw n TYR 28 Cb 0.56 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.45 1sfw n TYR 28 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sfw n GLY 30 N 2.17 2.12 0.01 0.00 0.00 -1.26 -2.42 105.19 105.81 1sfw n GLY 30 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.29 0.00 0.99 7.94 -0.58 -4.97 117.00 120.67 1sfw n LEU 31 Ca 0.00 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 1sfw n LEU 31 Cb 0.00 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.40 1sfw n LEU 31 CO 0.00 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 1sfw n GLY 32 N 1.60 -1.45 0.00 -3.96 0.00 0.04 -4.99 105.19 96.43 1sfw n GLY 32 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1sfw n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfw n GLY 33 N 0.62 -0.64 3.40 -0.02 0.00 -1.20 -4.98 105.19 102.38 1sfw n GLY 33 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.38 -0.46 0.00 1.61 0.15 -1.26 -4.84 113.70 107.51 1sfw s SER 34 Ca 0.00 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1sfw s SER 34 Cb 0.00 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1sfw s SER 34 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1sfw n GLY 35 N 1.21 0.69 3.21 9.45 0.00 -1.26 -5.02 105.19 113.46 1sfw n GLY 35 Ca -0.20 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 0.58 0.00 2.61 -4.23 -1.26 -5.05 115.64 108.29 1sfw s THR 36 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1sfw s THR 36 Cb 0.00 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1sfw s THR 36 CO 0.00 -0.57 0.00 -0.81 -0.54 0.00 0.00 174.62 172.70 1sfw n PRO 37 N -0.17 3.32 0.11 3.99 -0.04 -1.26 -4.74 135.00 136.21 1sfw n PRO 37 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1sfw n PRO 37 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 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 0.37 -2.53 0.52 0.24 -1.26 -4.86 118.33 110.81 1sfw n VAL 38 Ca 0.00 0.12 -0.31 0.00 -2.04 0.00 0.00 64.34 62.12 1sfw n VAL 38 Cb 0.00 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 31.50 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 -5.30 6.47 0.26 -1.34 -1.08 -1.26 -4.96 116.67 109.46 1sfw s ASP 39 Ca 0.00 1.28 -0.02 0.00 -0.52 0.00 0.00 52.55 53.29 1sfw s ASP 39 Cb 0.00 -2.39 0.56 0.00 -1.46 0.00 0.00 42.92 39.63 1sfw s ASP 39 CO 0.00 -0.56 1.67 -0.08 0.52 0.00 0.00 175.17 176.72 1sfw h GLU 40 N 0.75 0.23 -0.67 4.34 4.57 -2.01 -1.74 114.58 120.06 1sfw h GLU 40 Ca -0.46 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 57.73 1sfw h GLU 40 Cb 1.19 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 1sfw h GLU 40 CO 0.62 0.15 0.41 1.25 -1.18 0.00 0.00 179.01 180.27 1sfw h LEU 41 N 0.24 0.66 -0.57 1.64 7.12 -1.92 -2.29 115.31 120.19 1sfw h LEU 41 Ca 0.47 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.49 1sfw h LEU 41 Cb 0.87 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1sfw h LEU 41 CO -0.58 0.46 0.00 -0.67 -0.13 0.00 0.00 178.44 177.51 1sfw n ASP 42 N -4.70 0.46 -0.05 1.25 2.03 -0.96 -3.35 116.55 111.22 1sfw n ASP 42 Ca 0.07 0.63 -0.16 0.00 0.52 0.00 0.00 54.79 55.85 1sfw n ASP 42 Cb 0.10 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 39.71 1sfw n ASP 42 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1sfw h ARG 43 N 0.00 0.69 0.00 -0.67 2.47 -0.72 -1.91 114.38 114.24 1sfw h ARG 43 Ca 0.00 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1sfw h ARG 43 Cb 0.28 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1sfw h ARG 43 CO 0.00 1.11 0.00 0.00 0.56 0.00 0.00 179.97 181.64 1sfw h GLU 46 N 0.02 0.00 0.00 0.00 -0.00 -0.69 -2.83 114.58 111.08 1sfw h GLU 46 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 1sfw h GLU 46 Cb 1.99 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.74 1sfw h GLU 46 CO 0.10 0.10 -1.21 2.41 -0.00 0.00 0.00 179.01 180.40 1sfw n THR 47 N -4.39 0.46 -1.95 -1.06 -1.04 -0.88 -1.05 114.28 104.36 1sfw n THR 47 Ca -0.03 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.05 61.06 1sfw n THR 47 Cb 0.17 -0.23 -0.01 0.00 -1.82 0.00 0.00 70.33 68.45 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 -2.53 2.82 0.00 -1.42 -0.00 0.10 -0.71 115.22 113.48 1sfw n HIS 48 Ca -0.01 -2.88 0.00 0.00 0.46 0.00 0.00 57.72 55.29 1sfw n HIS 48 Cb 0.55 -2.10 0.00 0.00 -0.12 0.00 0.00 29.99 28.32 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 3.45 0.00 0.02 0.26 8.00 -1.24 -4.65 116.55 122.39 1sfw n ASP 49 Ca 0.56 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.92 1sfw n ASP 49 Cb 0.31 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 1sfw n ASP 49 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1sfw h ASN 50 N 0.00 0.22 -0.49 -2.24 2.35 -0.89 -2.78 115.58 111.75 1sfw h ASN 50 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1sfw h ASN 50 Cb 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1sfw h ASN 50 CO 0.00 1.35 0.00 0.00 -1.65 0.00 0.00 177.43 177.13 1sfw n TYR 52 N 0.90 0.80 -0.32 0.00 9.36 -1.16 -3.96 117.16 122.79 1sfw n TYR 52 Ca 0.17 0.34 0.18 0.00 3.32 0.00 0.00 57.90 61.91 1sfw n TYR 52 Cb 0.48 -1.08 0.38 0.00 -0.63 0.00 0.00 39.34 38.49 1sfw n TYR 52 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1sfw h ARG 53 N -0.97 0.28 0.00 2.98 -0.00 -1.76 -3.37 114.38 111.54 1sfw h ARG 53 Ca -0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.53 1sfw h ARG 53 Cb 1.40 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.30 1sfw h ARG 53 CO -0.25 0.19 0.00 -3.47 -0.00 0.00 0.00 179.97 176.44 1sfw n ASP 54 N -5.12 0.00 -0.34 0.08 2.03 -1.25 -1.67 116.55 110.28 1sfw n ASP 54 Ca 0.26 -0.30 0.27 0.00 0.52 0.00 0.00 54.79 55.54 1sfw n ASP 54 Cb 0.82 -0.02 0.52 0.00 -0.72 0.00 0.00 41.12 41.72 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 2.65 2.08 -0.69 -1.67 0.00 -1.83 0.17 119.26 119.97 1sfw h ALA 55 Ca 0.00 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1sfw h ALA 55 Cb 0.01 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 1sfw h ALA 55 CO 0.00 -0.74 0.03 1.57 0.00 0.00 0.00 179.25 180.12 1sfw h LYS 56 N 0.23 0.13 0.00 0.00 -0.00 -1.59 -3.37 116.57 111.97 1sfw h LYS 56 Ca 0.77 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 61.41 1sfw h LYS 56 Cb 1.89 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 34.09 1sfw h LYS 56 CO -0.62 0.09 0.00 -1.71 -0.00 0.00 0.00 179.45 177.21 1sfw n ASN 57 N -5.28 0.00 -1.30 7.07 5.15 -0.81 -4.39 115.26 115.69 1sfw n ASN 57 Ca 0.12 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1sfw n ASN 57 Cb 0.42 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 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 -2.23 -0.88 0.28 1.20 7.94 0.52 -4.46 117.00 119.37 1sfw n LEU 58 Ca 0.00 1.40 0.14 0.00 -1.11 0.00 0.00 56.01 56.44 1sfw n LEU 58 Cb 0.00 -2.32 0.87 0.00 0.53 0.00 0.00 43.42 42.50 1sfw n LEU 58 CO 0.00 -0.20 1.12 0.44 -1.11 0.00 0.00 177.39 177.64 1sfw h ASP 59 N 0.47 0.00 0.00 1.96 3.32 -1.95 -3.39 116.42 116.83 1sfw h ASP 59 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sfw h ASP 59 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1sfw h ASP 59 CO 0.00 0.00 0.00 -0.24 -1.72 0.00 0.00 179.24 177.28 1sfw n SER 60 N -3.94 0.00 -4.31 6.45 2.88 -1.26 -5.03 113.62 108.40 1sfw n SER 60 Ca -0.02 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.13 1sfw n SER 60 Cb 0.11 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.45 1sfw n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw h LYS 62 N 8.29 -0.39 -5.96 0.00 3.64 -1.83 -3.35 116.57 116.98 1sfw h LYS 62 Ca -0.24 0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.50 1sfw h LYS 62 Cb 1.09 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1sfw h LYS 62 CO 0.62 -0.26 -0.58 0.12 -2.27 0.00 0.00 179.45 177.09 1sfw s PHE 63 N -3.21 3.29 0.00 1.91 2.19 -1.26 -4.51 117.98 116.39 1sfw s PHE 63 Ca -0.06 0.23 0.00 0.00 0.33 0.00 0.00 56.93 57.44 1sfw s PHE 63 Cb 0.01 -1.77 0.00 0.00 -1.31 0.00 0.00 43.02 39.95 1sfw s PHE 63 CO 0.18 0.55 0.00 1.47 1.83 0.00 0.00 175.22 179.25 1sfw n LEU 64 N 1.46 0.00 0.00 6.12 -0.00 -1.26 -4.96 117.00 118.35 1sfw n LEU 64 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1sfw n LEU 64 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1sfw n LEU 64 CO 0.35 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 178.26 1sfw n VAL 65 N 0.00 0.00 0.10 1.47 0.31 -1.26 -5.07 118.33 113.89 1sfw n VAL 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sfw n VAL 65 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1sfw n VAL 65 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1sfw n ASP 66 N -1.94 -1.88 -3.14 4.52 8.00 -1.26 -5.13 116.55 115.71 1sfw n ASP 66 Ca 0.00 0.42 -0.09 0.00 0.71 0.00 0.00 54.79 55.82 1sfw n ASP 66 Cb 0.00 2.01 0.00 0.00 -0.02 0.00 0.00 41.12 43.11 1sfw n ASP 66 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1sfw n ASN 67 N -2.92 -1.38 -0.12 -2.24 6.94 -1.26 -4.93 115.26 109.35 1sfw n ASN 67 Ca 0.00 -0.32 -0.09 0.00 -0.02 0.00 0.00 54.58 54.15 1sfw n ASN 67 Cb 0.00 -0.48 -0.01 0.00 -2.36 0.00 0.00 39.78 36.93 1sfw n ASN 67 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1sfw h PRO 68 N 0.82 0.53 -1.05 -0.53 0.13 -2.00 -3.43 132.00 126.47 1sfw h PRO 68 Ca -0.20 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1sfw h PRO 68 Cb 0.42 -0.10 -0.21 0.00 0.13 0.00 0.00 31.00 31.25 1sfw h PRO 68 CO 0.12 0.47 -0.43 0.71 -0.23 0.00 0.00 178.00 178.65 1sfw s TYR 69 N -5.72 -1.74 0.00 1.56 2.02 -1.26 -4.97 117.35 107.25 1sfw s TYR 69 Ca -0.13 0.62 0.00 0.00 -0.37 0.00 0.00 57.07 57.18 1sfw s TYR 69 Cb 0.10 0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.94 1sfw s TYR 69 CO 0.74 -1.13 0.00 0.25 -1.57 0.00 0.00 175.55 173.84 1sfw n THR 70 N 4.91 0.00 -0.07 -0.71 -2.24 -1.26 -4.16 114.28 110.74 1sfw n THR 70 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1sfw n THR 70 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1sfw n THR 70 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sfw h GLU 71 N 0.00 -0.32 -5.19 -0.78 4.39 -1.90 -3.31 114.58 107.47 1sfw h GLU 71 Ca 0.00 0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.35 1sfw h GLU 71 Cb 0.00 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 28.58 1sfw h GLU 71 CO 0.00 -0.22 -0.70 0.45 -1.16 0.00 0.00 179.01 177.39 1sfw s SER 72 N -5.01 2.00 0.00 1.42 0.15 -1.26 -4.69 113.70 106.31 1sfw s SER 72 Ca -0.15 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1sfw s SER 72 Cb 0.12 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1sfw s SER 72 CO 0.66 -0.36 0.00 -1.22 1.20 0.00 0.00 173.24 173.53 1sfw n TYR 73 N -0.32 0.00 -2.71 3.44 4.01 -1.26 -1.47 117.16 118.86 1sfw n TYR 73 Ca -0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.63 1sfw n TYR 73 Cb 0.62 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.67 1sfw n TYR 73 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sfw s SER 74 N 0.00 -0.70 0.00 7.72 0.15 -0.34 -4.88 113.70 115.65 1sfw s SER 74 Ca 0.00 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1sfw s SER 74 Cb 0.00 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1sfw s SER 74 CO 0.00 -0.02 0.00 0.00 1.20 0.00 0.00 173.24 174.42 1sfw n TYR 75 N 2.73 0.00 -1.31 3.44 4.11 -1.11 -3.81 117.16 121.20 1sfw n TYR 75 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.04 1sfw n TYR 75 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.96 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 -4.76 9.48 2.88 -1.26 -4.98 113.62 114.98 1sfw n SER 76 Ca 0.00 -0.74 -0.37 0.00 -1.33 0.00 0.00 58.87 56.43 1sfw n SER 76 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1sfw n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n SER 78 N -1.14 0.00 -0.22 0.00 7.64 -1.13 -4.94 113.62 113.84 1sfw n SER 78 Ca 0.11 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.00 1sfw n SER 78 Cb 0.48 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.77 1sfw n SER 78 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1sfw h ASN 79 N 0.00 -0.46 0.00 6.43 2.35 -1.96 -3.43 115.58 118.50 1sfw h ASN 79 Ca 0.00 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1sfw h ASN 79 Cb 0.00 0.35 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1sfw h ASN 79 CO 0.00 -0.18 0.00 0.35 -1.65 0.00 0.00 177.43 175.95 1sfw n THR 80 N -5.38 0.00 -3.79 2.81 -2.24 -1.26 -4.89 114.28 99.53 1sfw n THR 80 Ca 0.09 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.51 1sfw n THR 80 Cb 0.36 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.00 3.91 0.29 -0.78 2.02 -1.26 -2.22 118.70 120.67 1sfw s GLU 81 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 54.97 54.84 1sfw s GLU 81 Cb 0.00 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 1sfw s GLU 81 CO 0.00 0.48 0.27 0.42 0.02 0.00 0.00 175.26 176.45 1sfw s ILE 82 N -0.16 0.00 0.00 -1.63 1.09 -1.26 -2.83 121.20 116.41 1sfw s ILE 82 Ca 0.11 -1.93 0.00 0.00 -1.10 0.00 0.00 60.65 57.73 1sfw s ILE 82 Cb -0.11 -2.51 0.00 0.00 -1.06 0.00 0.00 42.46 38.78 1sfw s ILE 82 CO 0.00 0.00 0.00 1.07 -0.10 0.00 0.00 174.94 175.91 1sfw n THR 83 N -0.51 0.00 0.00 2.92 5.66 -1.26 -5.07 114.28 116.01 1sfw n THR 83 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1sfw n THR 83 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 -0.39 2.16 -0.38 0.00 6.03 -1.25 -1.20 114.94 119.91 1sfw s ASN 85 Ca 0.00 -1.54 0.13 0.00 -1.03 0.00 0.00 52.86 50.42 1sfw s ASN 85 Cb 0.00 0.29 0.41 0.00 -3.03 0.00 0.00 41.25 38.91 1sfw s ASN 85 CO 0.00 -0.82 0.90 -0.24 -2.03 0.00 0.00 177.10 174.91 1sfw n SER 86 N -0.96 2.01 -2.51 3.54 2.88 -1.25 -4.82 113.62 112.51 1sfw n SER 86 Ca -0.02 -3.05 -0.03 0.00 -1.33 0.00 0.00 58.87 54.43 1sfw n SER 86 Cb 0.65 -0.55 0.09 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.03 0.99 -2.01 -1.46 0.00 -1.26 -5.09 118.16 109.31 1sfw n LYS 87 Ca 0.21 -1.16 -0.42 0.00 -0.00 0.00 0.00 58.31 56.93 1sfw n LYS 87 Cb 0.70 0.18 -0.03 0.00 -0.00 0.00 0.00 35.03 35.89 1sfw n LYS 87 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1sfw s ASN 88 N -0.89 5.85 -0.03 -5.58 0.01 -1.26 -4.67 114.94 108.37 1sfw s ASN 88 Ca 0.11 1.21 -0.01 0.00 -0.71 0.00 0.00 52.86 53.46 1sfw s ASN 88 Cb 0.33 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 39.49 1sfw s ASN 88 CO -0.09 -1.76 0.05 0.20 -1.51 0.00 0.00 177.10 173.99 1sfw s ASN 89 N 6.21 0.03 0.53 -1.22 -0.87 -1.26 -4.93 114.94 113.43 1sfw s ASN 89 Ca 0.78 0.08 0.36 0.00 -1.57 0.00 0.00 52.86 52.52 1sfw s ASN 89 Cb -0.21 -0.01 1.54 0.00 -0.02 0.00 0.00 41.25 42.54 1sfw s ASN 89 CO 0.32 -0.12 1.79 0.00 -2.57 0.00 0.00 177.10 176.53 1sfw h ALA 90 N 7.13 3.10 -0.70 0.60 0.00 -1.92 -1.24 119.26 126.24 1sfw h ALA 90 Ca -0.43 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.54 1sfw h ALA 90 Cb 1.13 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1sfw h ALA 90 CO 0.47 -1.46 -0.33 0.00 0.00 0.00 0.00 179.25 177.93 1sfw n GLU 92 N -4.97 0.40 -0.30 0.00 0.00 -0.63 -4.46 120.64 110.69 1sfw n GLU 92 Ca 0.05 0.50 0.14 0.00 0.00 0.00 0.00 57.16 57.84 1sfw n GLU 92 Cb 0.24 -1.59 0.31 0.00 0.00 0.00 0.00 31.44 30.40 1sfw n GLU 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sfw h ALA 93 N -1.11 1.38 -0.21 -1.84 0.00 -1.27 0.16 119.26 116.38 1sfw h ALA 93 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1sfw h ALA 93 Cb 0.46 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1sfw h ALA 93 CO 0.00 -0.45 -0.69 0.35 0.00 0.00 0.00 179.25 178.46 1sfw h PHE 94 N 0.27 1.09 -0.10 0.00 3.04 -1.36 -2.21 116.94 117.68 1sfw h PHE 94 Ca 0.57 -0.45 -0.11 0.00 3.98 0.00 0.00 57.97 61.96 1sfw h PHE 94 Cb 1.15 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1sfw h PHE 94 CO -0.21 1.28 -0.45 0.82 -2.02 0.00 0.00 178.31 177.73 1sfw h ILE 95 N 0.59 1.33 -0.57 1.41 5.03 -1.32 -2.30 117.51 121.69 1sfw h ILE 95 Ca -0.03 -1.62 0.11 0.00 -0.12 0.00 0.00 64.86 63.20 1sfw h ILE 95 Cb 1.31 1.76 -0.11 0.00 -3.03 0.00 0.00 36.82 36.76 1sfw h ILE 95 CO 0.15 0.48 -0.16 0.00 -0.68 0.00 0.00 178.15 177.94 1sfw h ASN 97 N -0.02 0.00 -0.20 0.00 -0.73 -1.03 -2.61 115.58 110.99 1sfw h ASN 97 Ca 0.27 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.38 1sfw h ASN 97 Cb 0.43 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.02 1sfw h ASN 97 CO -0.59 0.44 -0.11 0.00 -0.37 0.00 0.00 177.43 176.79 1sfw h ASP 99 N 0.11 0.85 0.09 0.00 3.32 -1.30 -1.76 116.42 117.73 1sfw h ASP 99 Ca 0.04 -0.30 -0.29 0.00 0.02 0.00 0.00 57.03 56.51 1sfw h ASP 99 Cb 0.60 -0.23 0.03 0.00 0.22 0.00 0.00 39.33 39.95 1sfw h ASP 99 CO 0.03 1.02 -1.16 -0.09 -1.72 0.00 0.00 179.24 177.32 1sfw h ARG 100 N 0.74 0.65 0.00 3.56 1.12 -1.59 0.82 114.38 119.67 1sfw h ARG 100 Ca 0.11 -0.80 0.00 0.00 -1.11 0.00 0.00 59.98 58.18 1sfw h ARG 100 Cb 0.71 0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 1sfw h ARG 100 CO 0.05 1.36 0.00 -0.97 -3.11 0.00 0.00 179.97 177.30 1sfw h ASN 101 N 0.32 0.00 0.18 -3.80 -1.24 -1.10 -0.84 115.58 109.10 1sfw h ASN 101 Ca -0.16 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.64 1sfw h ASN 101 Cb 1.83 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.88 1sfw h ASN 101 CO 0.22 0.00 -0.82 0.00 -1.29 0.00 0.00 177.43 175.55 1sfw h ALA 102 N 2.16 0.45 -0.22 1.57 0.00 -1.31 -1.98 119.26 119.93 1sfw h ALA 102 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.34 1sfw h ALA 102 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1sfw h ALA 102 CO 0.00 0.76 0.19 0.00 0.00 0.00 0.00 179.25 180.20 1sfw h ALA 103 N 0.78 2.02 -3.00 0.00 0.00 0.58 0.30 119.26 119.94 1sfw h ALA 103 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sfw h ALA 103 Cb 1.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1sfw h ALA 103 CO 0.15 -0.31 0.00 -0.89 0.00 0.00 0.00 179.25 178.20 1sfw n ILE 104 N -4.13 0.00 -0.22 0.00 -0.00 -0.83 -1.64 119.36 112.54 1sfw n ILE 104 Ca 0.02 0.23 0.16 0.00 -0.00 0.00 0.00 62.75 63.16 1sfw n ILE 104 Cb 0.33 -0.55 0.30 0.00 -0.00 0.00 0.00 39.64 39.72 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 0.00 0.77 -0.21 0.00 0.04 -1.09 -2.22 116.94 114.23 1sfw h PHE 106 Ca 0.48 -0.40 0.02 0.00 2.80 0.00 0.00 57.97 60.87 1sfw h PHE 106 Cb 1.17 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 1sfw h PHE 106 CO -0.16 1.22 0.14 1.03 -0.60 0.00 0.00 178.31 179.93 1sfw h SER 107 N 0.11 0.18 0.00 2.17 0.87 0.44 -3.45 113.55 113.86 1sfw h SER 107 Ca -0.08 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1sfw h SER 107 Cb 1.39 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1sfw h SER 107 CO 0.14 0.13 0.00 2.29 -0.53 0.00 0.00 176.83 178.86 1sfw n LYS 108 N -4.50 0.00 -0.09 2.24 2.85 -0.35 -4.93 118.16 113.39 1sfw n LYS 108 Ca 0.01 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.28 1sfw n LYS 108 Cb 0.14 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.51 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 -3.00 -0.43 -0.87 0.58 0.00 -0.84 -3.28 120.51 112.66 1sfw n ALA 109 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1sfw n ALA 109 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.91 1.69 -1.18 0.00 -0.04 -1.26 -5.06 135.00 128.24 1sfw n PRO 110 Ca 0.00 -1.24 -0.37 0.00 -0.04 0.00 0.00 63.50 61.85 1sfw n PRO 110 Cb 0.04 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.82 -2.53 -3.53 0.54 9.36 -1.21 -4.95 117.16 115.66 1sfw n TYR 111 Ca 0.26 0.46 -0.26 0.00 3.32 0.00 0.00 57.90 61.68 1sfw n TYR 111 Cb 0.58 -1.59 -0.15 0.00 -0.63 0.00 0.00 39.34 37.55 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 2.88 -1.16 2.98 0.01 -1.26 -5.07 114.94 112.38 1sfw s ASN 112 Ca 0.54 -1.00 -0.04 0.00 -0.71 0.00 0.00 52.86 51.65 1sfw s ASN 112 Cb -0.49 -0.16 0.24 0.00 0.41 0.00 0.00 41.25 41.24 1sfw s ASN 112 CO 0.61 -0.41 1.97 2.29 -1.51 0.00 0.00 177.10 180.05 1sfw n LYS 113 N 5.27 4.83 0.19 -0.60 -0.00 -1.26 -4.18 118.16 122.40 1sfw n LYS 113 Ca -0.06 -4.13 0.00 0.00 -0.00 0.00 0.00 58.31 54.12 1sfw n LYS 113 Cb 0.45 -2.58 0.00 0.00 -0.00 0.00 0.00 35.03 32.90 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 1.17 0.00 -3.13 -1.58 4.07 -1.26 -4.82 120.64 115.09 1sfw n GLU 114 Ca 0.48 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.15 1sfw n GLU 114 Cb 0.28 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.59 1sfw n GLU 114 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 1sfw s HIS 115 N -2.00 3.06 0.00 4.31 -3.43 -1.26 -4.89 115.29 111.08 1sfw s HIS 115 Ca 0.00 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.06 1sfw s HIS 115 Cb 0.00 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 1sfw s HIS 115 CO 0.00 -0.91 0.00 0.36 -2.00 0.00 0.00 174.74 172.19 1sfw n LYS 116 N 6.22 0.76 0.00 -0.38 0.00 -1.26 -4.57 118.16 118.93 1sfw n LYS 116 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1sfw n LYS 116 Cb 0.47 -0.06 0.00 0.00 -0.00 0.00 0.00 35.03 35.44 1sfw n LYS 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sfw n ASN 117 N 0.00 3.95 0.00 -5.58 2.85 -1.18 -4.46 115.26 110.84 1sfw n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1sfw n ASN 117 Cb 0.00 0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.10 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 -2.35 0.00 0.00 1.20 4.32 -1.26 -4.77 117.00 114.13 1sfw n LEU 118 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1sfw n LEU 118 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1sfw n LEU 118 CO 0.00 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 175.50 1sfw n ASP 119 N -0.21 0.00 -0.68 -1.43 -0.08 -1.26 -5.04 116.55 107.85 1sfw n ASP 119 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1sfw n ASP 119 Cb 0.00 0.08 0.00 0.00 2.34 0.00 0.00 41.12 43.54 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1sfw n THR 120 N -1.43 -0.45 0.03 5.18 -2.24 -1.26 -4.92 114.28 109.18 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 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 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 -0.68 0.00 0.22 -0.78 2.85 -1.26 -4.27 118.16 114.25 1sfw n LYS 121 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1sfw n LYS 121 Cb 0.23 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.53 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 -0.47 0.04 -1.58 1.57 -1.98 -3.37 116.57 110.78 1sfw h LYS 122 Ca 0.00 0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 1sfw h LYS 122 Cb 0.00 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1sfw h LYS 122 CO 0.00 -0.30 -1.02 1.88 -0.57 0.00 0.00 179.45 179.44 1sfw h TYR 123 N -0.52 0.41 0.00 -1.35 0.05 -1.88 -3.53 116.97 110.15 1sfw h TYR 123 Ca -0.05 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1sfw h TYR 123 Cb 0.39 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1sfw h TYR 123 CO -0.04 1.12 0.00 0.00 -1.05 0.00 0.00 178.16 178.18