#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsf n ASP 2 N 0.00 -1.83 -2.87 6.12 8.00 -1.26 -4.91 116.55 119.79 2jsf n ASP 2 Ca 0.00 -0.83 -0.29 0.00 0.71 0.00 0.00 54.79 54.39 2jsf n ASP 2 Cb 0.00 -4.09 -0.02 0.00 -0.02 0.00 0.00 41.12 36.99 2jsf n ASP 2 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2jsf n LYS 3 N -4.20 3.46 -3.70 -1.24 2.85 -1.26 -5.00 118.16 109.07 2jsf n LYS 3 Ca -0.27 -4.71 -0.13 0.00 -1.05 0.00 0.00 58.31 52.15 2jsf n LYS 3 Cb 0.67 -2.26 -0.13 0.00 -0.65 0.00 0.00 35.03 32.65 2jsf n LYS 3 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2jsf s LEU 4 N -3.59 0.12 0.00 -5.58 0.20 -1.26 -5.10 118.68 103.47 2jsf s LEU 4 Ca 0.48 0.53 0.00 0.00 0.69 0.00 0.00 54.13 55.83 2jsf s LEU 4 Cb 0.31 0.69 0.00 0.00 -0.43 0.00 0.00 46.19 46.76 2jsf s LEU 4 CO -0.16 -0.20 0.00 0.00 -0.29 0.00 0.00 176.35 175.70 2jsf n GLN 5 N 4.72 0.00 -3.55 1.98 10.64 -1.26 -5.13 117.38 124.78 2jsf n GLN 5 Ca -0.17 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.71 2jsf n GLN 5 Cb 0.51 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.75 2jsf n GLN 5 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2jsf s LEU 6 N 0.00 0.91 0.02 2.61 0.20 -1.26 -4.96 118.68 116.20 2jsf s LEU 6 Ca 0.00 -1.61 0.22 0.00 0.69 0.00 0.00 54.13 53.43 2jsf s LEU 6 Cb 0.00 -0.44 -0.16 0.00 -0.43 0.00 0.00 46.19 45.16 2jsf s LEU 6 CO 0.00 -0.40 0.81 1.17 -0.29 0.00 0.00 176.35 177.64 2jsf n LYS 7 N 4.83 0.35 0.00 1.98 3.00 -1.26 -5.05 118.16 122.01 2jsf n LYS 7 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2jsf n LYS 7 Cb 0.40 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.88 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jsf n GLY 8 N 1.36 4.18 0.59 3.14 0.00 -1.26 -5.12 105.19 108.08 2jsf n GLY 8 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2jsf n GLY 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jsf n MET 9 N -0.51 0.00 -1.45 1.61 1.56 -1.26 -5.16 117.12 111.90 2jsf n MET 9 Ca 0.00 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.53 2jsf n MET 9 Cb 0.00 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.31 2jsf n MET 9 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2jsf n SER 10 N -2.57 -7.47 0.00 6.12 3.41 -1.26 -4.90 113.62 106.94 2jsf n SER 10 Ca 0.00 1.51 0.00 0.00 -0.26 0.00 0.00 58.87 60.12 2jsf n SER 10 Cb 0.00 -4.81 0.00 0.00 -0.26 0.00 0.00 64.21 59.14 2jsf n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jsf n TYR 11 N -3.62 0.00 -0.24 7.33 4.19 -1.26 -4.91 117.16 118.65 2jsf n TYR 11 Ca -0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.15 2jsf n TYR 11 Cb 0.56 -0.16 0.00 0.00 0.49 0.00 0.00 39.34 40.23 2jsf n TYR 11 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2jsf n SER 12 N -1.92 0.08 -2.96 2.98 2.88 -1.26 -4.92 113.62 108.49 2jsf n SER 12 Ca 0.00 -0.40 -0.12 0.00 -1.33 0.00 0.00 58.87 57.02 2jsf n SER 12 Cb 0.00 0.17 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 2jsf n SER 12 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2jsf n MET 13 N -0.17 -2.40 -1.54 -1.46 0.00 -1.26 -4.64 117.12 105.66 2jsf n MET 13 Ca 0.00 2.06 -0.37 0.00 -0.00 0.00 0.00 57.70 59.38 2jsf n MET 13 Cb 0.06 -4.81 -0.05 0.00 0.00 0.00 0.00 33.22 28.42 2jsf n MET 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jsf n THR 15 N 7.90 0.00 0.00 0.00 -2.24 -1.26 -4.28 114.28 114.41 2jsf n THR 15 Ca 0.42 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2jsf n THR 15 Cb 0.45 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2jsf n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jsf n GLY 16 N 1.40 -2.32 3.18 3.38 0.00 -1.26 -4.51 105.19 105.06 2jsf n GLY 16 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2jsf n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jsf s LYS 17 N 0.00 0.86 -0.03 1.61 2.20 -1.06 -3.30 119.74 120.01 2jsf s LYS 17 Ca 0.00 -1.22 0.04 0.00 -0.36 0.00 0.00 55.97 54.43 2jsf s LYS 17 Cb 0.00 0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2jsf s LYS 17 CO 0.00 -0.25 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.52 2jsf s PHE 18 N -3.95 1.59 -0.25 4.03 0.40 -0.24 0.23 117.98 119.80 2jsf s PHE 18 Ca 0.13 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.98 2jsf s PHE 18 Cb 0.06 -1.07 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 2jsf s PHE 18 CO -0.05 -0.13 0.04 0.21 0.70 0.00 0.00 175.22 175.99 2jsf s LYS 19 N -0.04 3.50 0.22 0.44 2.20 -0.12 -4.61 119.74 121.33 2jsf s LYS 19 Ca -0.01 -0.57 -0.32 0.00 -0.36 0.00 0.00 55.97 54.71 2jsf s LYS 19 Cb -0.10 -3.25 -0.12 0.00 -1.51 0.00 0.00 37.83 32.85 2jsf s LYS 19 CO 0.01 -0.23 1.71 0.28 -0.36 0.00 0.00 175.35 176.76 2jsf n VAL 20 N 4.88 0.15 -0.05 4.02 0.31 -1.26 0.80 118.33 127.19 2jsf n VAL 20 Ca -0.16 -0.04 0.01 0.00 -0.01 0.00 0.00 64.34 64.13 2jsf n VAL 20 Cb 0.51 -1.99 -0.14 0.00 -0.91 0.00 0.00 33.84 31.30 2jsf n VAL 20 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2jsf n VAL 21 N 3.71 0.57 -3.64 2.52 0.31 0.62 -4.77 118.33 117.65 2jsf n VAL 21 Ca 0.15 -0.57 -0.09 0.00 -0.01 0.00 0.00 64.34 63.82 2jsf n VAL 21 Cb 0.35 -0.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.99 2jsf n VAL 21 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2jsf s LYS 22 N -2.87 0.68 0.83 5.55 2.20 0.24 -4.92 119.74 121.45 2jsf s LYS 22 Ca -0.08 1.03 -0.14 0.00 -0.36 0.00 0.00 55.97 56.42 2jsf s LYS 22 Cb 0.09 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2jsf s LYS 22 CO 0.74 -0.12 0.52 -1.91 -0.36 0.00 0.00 175.35 174.22 2jsf n GLU 23 N 3.59 0.04 -1.60 4.03 2.13 -1.26 -2.72 120.64 124.84 2jsf n GLU 23 Ca -0.17 0.06 -0.49 0.00 0.66 0.00 0.00 57.16 57.22 2jsf n GLU 23 Cb 0.57 -1.88 -0.04 0.00 0.27 0.00 0.00 31.44 30.36 2jsf n GLU 23 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2jsf n ILE 24 N -2.98 0.53 -3.70 6.31 2.08 -1.25 -4.54 119.36 115.80 2jsf n ILE 24 Ca 0.09 -0.13 -0.23 0.00 0.56 0.00 0.00 62.75 63.04 2jsf n ILE 24 Cb 0.52 -0.99 -0.03 0.00 -0.75 0.00 0.00 39.64 38.38 2jsf n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jsf s ALA 25 N 0.15 4.10 -0.12 -1.39 0.00 0.80 -4.77 121.76 120.54 2jsf s ALA 25 Ca 0.77 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.94 2jsf s ALA 25 Cb -0.84 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 2jsf s ALA 25 CO 0.49 -0.29 -0.15 -1.83 0.00 0.00 0.00 175.76 173.97 2jsf s GLU 26 N -4.15 3.27 0.86 0.00 1.03 -1.26 0.26 118.70 118.70 2jsf s GLU 26 Ca 0.44 -0.72 -0.10 0.00 0.03 0.00 0.00 54.97 54.62 2jsf s GLU 26 Cb -0.02 -2.55 0.16 0.00 -0.80 0.00 0.00 34.13 30.92 2jsf s GLU 26 CO 0.26 0.23 1.18 0.95 -1.33 0.00 0.00 175.26 176.56 2jsf s THR 27 N 0.28 2.06 -0.31 1.83 -4.23 -0.10 -4.86 115.64 110.32 2jsf s THR 27 Ca -0.11 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 2jsf s THR 27 Cb -0.16 -2.83 0.42 0.00 1.34 0.00 0.00 72.50 71.27 2jsf s THR 27 CO 0.06 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.66 2jsf n GLN 28 N -3.37 1.99 0.00 3.99 6.02 -1.26 -3.82 117.38 120.93 2jsf n GLN 28 Ca 0.15 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 2jsf n GLN 28 Cb 0.60 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2jsf n GLN 28 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jsf n HIS 29 N -0.39 0.00 0.00 1.08 8.25 -1.26 -4.98 115.22 117.93 2jsf n HIS 29 Ca 0.34 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2jsf n HIS 29 Cb 1.17 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.27 2jsf n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jsf n GLY 30 N -0.08 0.39 2.29 -1.41 0.00 -1.25 -5.08 105.19 100.06 2jsf n GLY 30 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jsf n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jsf n THR 31 N -1.86 0.00 -4.07 2.61 -2.24 -1.26 -4.16 114.28 103.29 2jsf n THR 31 Ca 0.00 -0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 60.77 2jsf n THR 31 Cb 0.00 -1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 67.02 2jsf n THR 31 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2jsf s ILE 32 N -1.75 0.28 -0.08 2.28 -4.36 0.91 -0.92 121.20 117.57 2jsf s ILE 32 Ca 0.39 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 59.27 2jsf s ILE 32 Cb -0.02 -1.17 -0.00 0.00 1.25 0.00 0.00 42.46 42.51 2jsf s ILE 32 CO 0.26 -0.82 -0.22 -0.69 0.24 0.00 0.00 174.94 173.72 2jsf s VAL 33 N -3.11 1.84 -0.22 8.37 1.01 0.71 -0.94 120.40 128.07 2jsf s VAL 33 Ca 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 2jsf s VAL 33 Cb 0.02 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2jsf s VAL 33 CO -0.06 0.51 -0.05 -0.51 0.00 0.00 0.00 175.10 174.99 2jsf s ILE 34 N 0.22 3.33 -0.32 2.22 -1.16 0.14 0.28 121.20 125.91 2jsf s ILE 34 Ca -0.13 -0.51 -0.10 0.00 -0.51 0.00 0.00 60.65 59.41 2jsf s ILE 34 Cb -0.16 -2.51 -0.00 0.00 0.61 0.00 0.00 42.46 40.40 2jsf s ILE 34 CO 0.06 0.43 0.16 -0.60 -2.81 0.00 0.00 174.94 172.17 2jsf s ARG 35 N 1.46 3.27 0.23 3.50 3.52 -1.10 0.53 118.95 130.35 2jsf s ARG 35 Ca 0.06 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2jsf s ARG 35 Cb -0.14 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 2jsf s ARG 35 CO -0.04 -0.45 0.16 1.33 -0.81 0.00 0.00 175.30 175.49 2jsf n VAL 36 N 4.98 0.00 -4.56 7.11 0.24 0.56 0.23 118.33 126.89 2jsf n VAL 36 Ca -0.14 -1.59 -0.24 0.00 -2.04 0.00 0.00 64.34 60.34 2jsf n VAL 36 Cb 0.49 0.73 -0.16 0.00 -1.47 0.00 0.00 33.84 33.42 2jsf n VAL 36 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2jsf s GLN 37 N -2.93 1.53 0.07 7.34 0.74 0.24 0.12 119.66 126.77 2jsf s GLN 37 Ca 0.22 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 2jsf s GLN 37 Cb 0.01 -1.30 -0.09 0.00 1.10 0.00 0.00 33.01 32.73 2jsf s GLN 37 CO 0.16 0.06 1.88 -0.47 -0.55 0.00 0.00 175.29 176.36 2jsf s TYR 38 N 0.54 1.75 -0.26 1.67 5.04 -1.25 -0.94 117.35 123.89 2jsf s TYR 38 Ca -0.11 -0.20 0.11 0.00 -2.44 0.00 0.00 57.07 54.43 2jsf s TYR 38 Cb -0.14 -4.19 0.52 0.00 0.35 0.00 0.00 41.96 38.50 2jsf s TYR 38 CO 0.03 -5.10 1.47 0.39 -1.34 0.00 0.00 175.55 171.00 2jsf n GLU 39 N 6.61 2.24 -0.21 4.97 1.02 0.63 -4.25 120.64 131.64 2jsf n GLU 39 Ca 0.19 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 2jsf n GLU 39 Cb 0.40 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2jsf n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jsf n GLY 40 N -0.91 7.33 3.28 0.62 0.00 -0.88 -2.57 105.19 112.06 2jsf n GLY 40 Ca 0.30 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 2jsf n GLY 40 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jsf s ASP 41 N 0.79 2.53 0.00 1.61 -4.77 -1.26 -4.85 116.67 110.71 2jsf s ASP 41 Ca 0.00 -0.66 0.00 0.00 -3.30 0.00 0.00 52.55 48.59 2jsf s ASP 41 Cb 0.00 -0.15 0.00 0.00 -1.09 0.00 0.00 42.92 41.68 2jsf s ASP 41 CO 0.00 0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.55 2jsf n GLY 42 N 1.21 -0.45 7.00 2.12 0.00 -1.26 -4.72 105.19 109.09 2jsf n GLY 42 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jsf n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jsf n SER 43 N 0.00 -0.51 -4.50 1.61 2.88 -1.26 -4.04 113.62 107.79 2jsf n SER 43 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2jsf n SER 43 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2jsf n SER 43 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2jsf n PRO 44 N 0.00 0.07 -4.13 -1.46 -0.02 -1.25 -4.73 135.00 123.48 2jsf n PRO 44 Ca 0.00 -0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 2jsf n PRO 44 Cb 0.00 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.87 2jsf n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jsf s LYS 46 N -4.11 1.31 -0.12 0.00 1.02 -1.26 0.66 119.74 117.24 2jsf s LYS 46 Ca 0.33 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 55.87 2jsf s LYS 46 Cb 0.05 -2.02 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 2jsf s LYS 46 CO 0.10 -1.89 -0.15 0.42 -0.92 0.00 0.00 175.35 172.91 2jsf s ILE 47 N -3.57 1.57 0.49 2.17 -1.09 0.49 -1.49 121.20 119.78 2jsf s ILE 47 Ca 0.68 -0.67 -0.23 0.00 -2.23 0.00 0.00 60.65 58.20 2jsf s ILE 47 Cb -0.06 -1.44 -0.06 0.00 -1.58 0.00 0.00 42.46 39.31 2jsf s ILE 47 CO 0.49 0.46 1.35 -2.84 -1.23 0.00 0.00 174.94 173.16 2jsf s PRO 48 N 1.13 3.46 0.06 2.79 0.02 -1.26 -4.33 135.00 136.87 2jsf s PRO 48 Ca -0.03 2.22 -0.17 0.00 0.02 0.00 0.00 61.00 63.04 2jsf s PRO 48 Cb -0.14 -2.44 0.03 0.00 0.02 0.00 0.00 34.50 31.97 2jsf s PRO 48 CO -0.05 -0.93 0.40 0.12 -0.33 0.00 0.00 177.00 176.21 2jsf s PHE 49 N -1.30 -0.24 -0.30 6.54 5.36 -1.26 -1.36 117.98 125.42 2jsf s PHE 49 Ca 0.66 0.14 -0.08 0.00 -0.96 0.00 0.00 56.93 56.69 2jsf s PHE 49 Cb -0.40 0.21 0.19 0.00 -0.34 0.00 0.00 43.02 42.68 2jsf s PHE 49 CO 0.49 -0.59 0.95 -2.00 -1.46 0.00 0.00 175.22 172.61 2jsf s GLU 50 N -2.73 0.24 -0.98 10.12 2.12 -0.54 -4.93 118.70 122.01 2jsf s GLU 50 Ca -0.04 0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.44 2jsf s GLU 50 Cb -0.00 0.15 0.19 0.00 0.26 0.00 0.00 34.13 34.73 2jsf s GLU 50 CO -0.04 -0.39 1.07 0.42 -0.54 0.00 0.00 175.26 175.77 2jsf s ILE 51 N 2.93 5.27 0.19 -3.70 1.01 -1.26 -0.34 121.20 125.30 2jsf s ILE 51 Ca 0.17 -2.36 0.00 0.00 0.00 0.00 0.00 60.65 58.47 2jsf s ILE 51 Cb -0.06 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.73 2jsf s ILE 51 CO -0.20 -1.33 0.00 0.80 0.00 0.00 0.00 174.94 174.21 2jsf n MET 52 N 4.94 0.00 0.00 2.79 1.56 -1.22 -4.29 117.12 120.89 2jsf n MET 52 Ca 0.23 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.66 2jsf n MET 52 Cb 0.46 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.83 2jsf n MET 52 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jsf n ASP 53 N -2.92 0.00 0.00 6.12 2.03 -1.26 -4.55 116.55 115.97 2jsf n ASP 53 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jsf n ASP 53 Cb 0.00 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2jsf n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jsf n LEU 54 N -2.21 0.00 -2.70 -2.67 4.77 -1.26 -4.90 117.00 108.03 2jsf n LEU 54 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2jsf n LEU 54 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2jsf n LEU 54 CO 0.00 0.00 0.49 -0.62 -1.33 0.00 0.00 177.39 175.93 2jsf n GLU 55 N -1.42 0.83 -3.66 3.23 -0.58 -1.26 -4.94 120.64 112.84 2jsf n GLU 55 Ca 0.00 -1.55 -0.29 0.00 -0.42 0.00 0.00 57.16 54.90 2jsf n GLU 55 Cb 0.00 -0.46 -0.13 0.00 -0.57 0.00 0.00 31.44 30.29 2jsf n GLU 55 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2jsf s LYS 56 N 0.18 1.14 0.32 3.49 -2.85 -1.26 -5.11 119.74 115.66 2jsf s LYS 56 Ca 0.19 -1.88 -0.29 0.00 -1.00 0.00 0.00 55.97 52.99 2jsf s LYS 56 Cb 0.30 -2.12 -0.11 0.00 -2.06 0.00 0.00 37.83 33.84 2jsf s LYS 56 CO -0.08 -1.18 1.51 1.03 0.10 0.00 0.00 175.35 176.73 2jsf s ARG 57 N 0.48 4.15 0.00 1.78 0.52 -1.26 -4.84 118.95 119.78 2jsf s ARG 57 Ca 0.18 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.91 2jsf s ARG 57 Cb -0.23 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.22 2jsf s ARG 57 CO -0.00 -0.54 0.00 1.58 0.02 0.00 0.00 175.30 176.36 2jsf n HIS 58 N 1.43 0.00 -3.44 -0.53 -0.00 -1.26 -5.07 115.22 106.35 2jsf n HIS 58 Ca 0.05 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.83 2jsf n HIS 58 Cb 0.39 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.22 2jsf n HIS 58 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2jsf n VAL 59 N 0.00 3.78 -4.06 3.57 0.31 -1.26 -5.01 118.33 115.66 2jsf n VAL 59 Ca 0.00 -5.32 -0.13 0.00 -0.01 0.00 0.00 64.34 58.87 2jsf n VAL 59 Cb 0.00 -2.38 -0.13 0.00 -0.91 0.00 0.00 33.84 30.42 2jsf n VAL 59 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2jsf s LEU 60 N -1.64 2.10 0.00 7.52 1.43 -1.26 -5.09 118.68 121.74 2jsf s LEU 60 Ca 0.30 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2jsf s LEU 60 Cb -0.05 -0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.03 2jsf s LEU 60 CO -0.07 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2jsf n GLY 61 N 2.40 -0.58 3.68 -3.19 0.00 -1.26 -4.69 105.19 101.55 2jsf n GLY 61 Ca -0.17 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 2jsf n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jsf s ARG 62 N -0.23 1.59 -0.15 1.61 3.52 0.60 -4.87 118.95 121.03 2jsf s ARG 62 Ca 0.00 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 2jsf s ARG 62 Cb 0.00 0.57 0.02 0.00 -1.56 0.00 0.00 34.95 33.98 2jsf s ARG 62 CO 0.00 -0.71 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.10 2jsf s LEU 63 N -2.89 1.88 0.12 -0.88 1.43 -1.26 0.26 118.68 117.34 2jsf s LEU 63 Ca 0.10 -0.54 0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2jsf s LEU 63 Cb -0.04 -1.29 -0.14 0.00 0.03 0.00 0.00 46.19 44.76 2jsf s LEU 63 CO 0.02 -0.00 1.14 0.40 0.23 0.00 0.00 176.35 178.13 2jsf h ILE 64 N 5.96 1.16 -0.85 -0.59 5.03 0.33 -3.13 117.51 125.42 2jsf h ILE 64 Ca -0.38 -2.78 -0.50 0.00 -0.12 0.00 0.00 64.86 61.08 2jsf h ILE 64 Cb 1.16 2.54 -0.26 0.00 -3.03 0.00 0.00 36.82 37.23 2jsf h ILE 64 CO 0.55 0.66 0.65 0.41 -0.68 0.00 0.00 178.15 179.74 2jsf n THR 65 N -3.19 3.11 -1.14 -0.27 -1.04 0.41 -4.94 114.28 107.23 2jsf n THR 65 Ca -0.04 -2.06 -0.38 0.00 -2.04 0.00 0.00 64.05 59.53 2jsf n THR 65 Cb 0.90 -0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 68.54 2jsf n THR 65 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jsf n VAL 66 N -0.74 1.18 -3.70 12.58 0.31 -1.18 -1.96 118.33 124.81 2jsf n VAL 66 Ca 0.52 -0.42 -0.32 0.00 -0.01 0.00 0.00 64.34 64.11 2jsf n VAL 66 Cb 1.11 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 34.08 2jsf n VAL 66 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2jsf n ASN 67 N 1.81 -5.22 -4.76 4.52 2.85 -1.26 -4.91 115.26 108.29 2jsf n ASN 67 Ca 0.13 -1.03 -0.33 0.00 -0.11 0.00 0.00 54.58 53.24 2jsf n ASN 67 Cb 0.27 -3.33 0.05 0.00 1.24 0.00 0.00 39.78 38.01 2jsf n ASN 67 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2jsf s PRO 68 N -6.03 2.72 -0.01 1.20 0.02 -0.83 -4.78 135.00 127.29 2jsf s PRO 68 Ca 0.47 1.43 -0.04 0.00 0.02 0.00 0.00 61.00 62.88 2jsf s PRO 68 Cb -0.17 -1.94 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 2jsf s PRO 68 CO 0.86 -1.32 0.08 0.42 -0.33 0.00 0.00 177.00 176.72 2jsf s ILE 69 N -2.30 0.06 0.20 2.83 1.01 -1.26 0.19 121.20 121.93 2jsf s ILE 69 Ca 0.68 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 2jsf s ILE 69 Cb -0.21 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2jsf s ILE 69 CO 0.42 -0.28 0.39 -0.69 0.00 0.00 0.00 174.94 174.78 2jsf s VAL 70 N -0.90 5.21 -0.03 2.92 1.01 0.21 -4.90 120.40 123.92 2jsf s VAL 70 Ca -0.10 -0.35 0.11 0.00 0.00 0.00 0.00 61.98 61.64 2jsf s VAL 70 Cb -0.06 -3.73 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 2jsf s VAL 70 CO 0.00 -0.16 0.21 0.41 0.00 0.00 0.00 175.10 175.57 2jsf n THR 71 N -0.61 0.14 -3.97 3.92 -1.04 -1.26 -2.10 114.28 109.35 2jsf n THR 71 Ca -0.05 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.05 61.56 2jsf n THR 71 Cb 0.54 0.06 -0.12 0.00 -1.82 0.00 0.00 70.33 68.98 2jsf n THR 71 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2jsf s GLU 72 N -2.70 0.26 0.26 -2.82 2.02 -1.26 -3.81 118.70 110.65 2jsf s GLU 72 Ca -0.04 -0.43 0.12 0.00 0.02 0.00 0.00 54.97 54.64 2jsf s GLU 72 Cb 0.07 -0.01 0.65 0.00 0.10 0.00 0.00 34.13 34.94 2jsf s GLU 72 CO 0.47 -0.01 1.27 1.63 0.02 0.00 0.00 175.26 178.64 2jsf n LYS 73 N 2.10 0.08 0.00 1.61 5.02 -1.26 -0.76 118.16 124.95 2jsf n LYS 73 Ca -0.20 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2jsf n LYS 73 Cb 0.57 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2jsf n LYS 73 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jsf n ASP 74 N -1.95 1.11 -4.61 4.39 -0.08 -1.26 -3.88 116.55 110.27 2jsf n ASP 74 Ca -0.01 -1.46 -0.43 0.00 -1.51 0.00 0.00 54.79 51.39 2jsf n ASP 74 Cb 0.24 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.68 2jsf n ASP 74 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2jsf s SER 75 N -0.46 6.34 0.10 1.67 0.15 0.06 -4.71 113.70 116.86 2jsf s SER 75 Ca 0.00 1.17 -0.33 0.00 0.70 0.00 0.00 55.95 57.49 2jsf s SER 75 Cb 0.00 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.65 2jsf s SER 75 CO 0.00 -1.36 1.71 -2.65 1.20 0.00 0.00 173.24 172.13 2jsf n PRO 76 N 7.88 2.31 -4.10 5.44 -0.02 -1.26 -4.16 135.00 141.09 2jsf n PRO 76 Ca 0.18 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 62.27 2jsf n PRO 76 Cb 0.47 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 2jsf n PRO 76 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jsf s VAL 77 N 2.03 4.49 -0.09 -1.45 1.01 0.32 -4.84 120.40 121.88 2jsf s VAL 77 Ca 0.83 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2jsf s VAL 77 Cb -0.64 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 2jsf s VAL 77 CO 0.41 -0.28 -0.23 0.54 0.00 0.00 0.00 175.10 175.54 2jsf s ASN 78 N -3.65 2.91 -0.25 3.32 4.22 -1.24 -0.33 114.94 119.93 2jsf s ASN 78 Ca 0.32 -0.52 -0.02 0.00 -2.14 0.00 0.00 52.86 50.51 2jsf s ASN 78 Cb -0.08 -1.21 0.03 0.00 1.28 0.00 0.00 41.25 41.26 2jsf s ASN 78 CO 0.25 0.16 -0.05 -0.63 -2.04 0.00 0.00 177.10 174.79 2jsf s ILE 79 N 0.27 2.93 -0.46 0.54 -1.09 0.19 -4.78 121.20 118.79 2jsf s ILE 79 Ca -0.15 -1.01 -0.19 0.00 -2.23 0.00 0.00 60.65 57.07 2jsf s ILE 79 Cb -0.17 -2.49 0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2jsf s ILE 79 CO 0.07 0.19 0.58 -0.70 -1.23 0.00 0.00 174.94 173.85 2jsf s GLU 80 N 1.33 3.16 0.13 2.79 2.56 -1.24 -0.69 118.70 126.74 2jsf s GLU 80 Ca 0.00 -0.70 0.06 0.00 0.00 0.00 0.00 54.97 54.33 2jsf s GLU 80 Cb -0.17 -4.02 -0.04 0.00 2.00 0.00 0.00 34.13 31.91 2jsf s GLU 80 CO -0.04 -1.06 -0.14 0.00 -0.56 0.00 0.00 175.26 173.47 2jsf s ALA 81 N 2.55 1.53 -0.41 6.30 0.00 -0.12 0.26 121.76 131.87 2jsf s ALA 81 Ca 0.16 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 2jsf s ALA 81 Cb -0.17 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.90 2jsf s ALA 81 CO 0.14 0.08 0.46 -2.00 0.00 0.00 0.00 175.76 174.44 2jsf s GLU 82 N -2.88 3.19 0.41 0.00 2.56 0.73 -0.06 118.70 122.65 2jsf s GLU 82 Ca 0.11 -0.65 -0.25 0.00 0.00 0.00 0.00 54.97 54.18 2jsf s GLU 82 Cb -0.04 -3.94 -0.08 0.00 2.00 0.00 0.00 34.13 32.07 2jsf s GLU 82 CO 0.03 -0.83 1.14 -1.25 -0.56 0.00 0.00 175.26 173.79 2jsf s PRO 83 N 2.23 4.03 0.00 4.30 0.04 -1.26 0.22 135.00 144.56 2jsf s PRO 83 Ca 0.14 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2jsf s PRO 83 Cb -0.17 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2jsf s PRO 83 CO 0.14 -0.32 0.80 -0.35 0.04 0.00 0.00 177.00 177.31 2jsf n PRO 84 N -0.04 0.00 0.00 0.56 -0.04 -1.26 -4.81 135.00 129.40 2jsf n PRO 84 Ca 0.05 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2jsf n PRO 84 Cb 0.47 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2jsf n PRO 84 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jsf n PHE 85 N -1.62 0.00 -3.98 0.54 3.72 -1.26 -4.98 117.46 109.89 2jsf n PHE 85 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2jsf n PHE 85 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2jsf n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jsf n GLY 86 N -0.48 -0.08 3.69 1.37 0.00 -0.55 -4.75 105.19 104.39 2jsf n GLY 86 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2jsf n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jsf s ASP 87 N -4.00 7.00 -0.02 1.61 1.01 -1.26 -1.47 116.67 119.53 2jsf s ASP 87 Ca 0.00 1.96 -0.00 0.00 0.71 0.00 0.00 52.55 55.22 2jsf s ASP 87 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 2jsf s ASP 87 CO 0.00 -0.59 0.03 -0.44 0.21 0.00 0.00 175.17 174.38 2jsf s SER 88 N 1.47 0.20 -0.46 0.27 0.01 -0.56 -4.92 113.70 109.71 2jsf s SER 88 Ca 0.59 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.78 2jsf s SER 88 Cb -0.28 -0.08 0.09 0.00 0.21 0.00 0.00 66.02 65.96 2jsf s SER 88 CO 0.25 -0.14 0.34 -0.31 0.41 0.00 0.00 173.24 173.79 2jsf s TYR 89 N 1.21 3.32 -0.11 2.43 1.51 -1.25 0.22 117.35 124.67 2jsf s TYR 89 Ca -0.07 -1.40 -0.30 0.00 -1.01 0.00 0.00 57.07 54.29 2jsf s TYR 89 Cb -0.13 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.48 2jsf s TYR 89 CO -0.03 -0.88 1.29 0.42 -1.11 0.00 0.00 175.55 175.24 2jsf s ILE 90 N 1.49 4.17 0.08 2.71 1.09 0.43 -3.46 121.20 127.71 2jsf s ILE 90 Ca 0.04 1.45 -0.06 0.00 -1.10 0.00 0.00 60.65 60.98 2jsf s ILE 90 Cb -0.25 -3.94 -0.05 0.00 -1.06 0.00 0.00 42.46 37.16 2jsf s ILE 90 CO 0.03 -0.09 0.34 -0.63 -0.10 0.00 0.00 174.94 174.49 2jsf s ILE 91 N 3.12 5.21 -0.00 2.92 1.01 0.54 -0.26 121.20 133.74 2jsf s ILE 91 Ca 0.57 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.40 2jsf s ILE 91 Cb -0.24 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2jsf s ILE 91 CO 0.19 0.22 -0.06 -0.63 0.00 0.00 0.00 174.94 174.65 2jsf s ILE 92 N -1.46 0.49 0.00 2.92 1.01 -0.70 -1.46 121.20 122.00 2jsf s ILE 92 Ca 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2jsf s ILE 92 Cb -0.13 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2jsf s ILE 92 CO 0.20 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2jsf n GLY 93 N 2.81 -1.15 3.23 6.18 0.00 -0.46 0.29 105.19 116.09 2jsf n GLY 93 Ca -0.14 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 2jsf n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jsf s VAL 94 N 0.00 1.19 0.12 1.61 -7.23 -1.25 -4.42 120.40 110.41 2jsf s VAL 94 Ca 0.00 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2jsf s VAL 94 Cb 0.00 -1.61 0.13 0.00 0.56 0.00 0.00 36.38 35.46 2jsf s VAL 94 CO 0.00 -0.57 0.81 -0.62 -0.31 0.00 0.00 175.10 174.41 2jsf n GLU 95 N 0.26 -0.12 0.29 4.82 1.02 -1.26 0.32 120.64 125.97 2jsf n GLU 95 Ca -0.14 0.80 0.11 0.00 -0.02 0.00 0.00 57.16 57.92 2jsf n GLU 95 Cb 0.59 -1.19 0.53 0.00 -0.02 0.00 0.00 31.44 31.35 2jsf n GLU 95 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jsf h PRO 96 N 0.00 0.00 0.00 3.49 0.13 -1.85 -3.22 132.00 130.54 2jsf h PRO 96 Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 2jsf h PRO 96 Cb 0.31 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.38 2jsf h PRO 96 CO -0.52 0.00 0.11 0.41 -0.23 0.00 0.00 178.00 177.77 2jsf n GLY 97 N -1.35 -0.64 3.91 1.56 0.00 0.95 -4.84 105.19 104.78 2jsf n GLY 97 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2jsf n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsf s GLN 98 N 0.03 3.57 0.44 1.61 0.74 0.84 -1.07 119.66 125.82 2jsf s GLN 98 Ca 0.03 -0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.31 2jsf s GLN 98 Cb 0.07 -2.78 0.06 0.00 1.10 0.00 0.00 33.01 31.46 2jsf s GLN 98 CO -0.02 0.36 0.51 1.28 -0.55 0.00 0.00 175.29 176.87 2jsf n LEU 99 N -0.60 0.00 -3.67 3.68 4.77 0.85 -4.85 117.00 117.18 2jsf n LEU 99 Ca -0.03 -2.05 -0.12 0.00 -0.03 0.00 0.00 56.01 53.78 2jsf n LEU 99 Cb 0.53 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2jsf n LEU 99 CO 0.48 -0.61 0.27 -0.54 -1.33 0.00 0.00 177.39 175.66 2jsf s LYS 100 N -3.93 0.66 -0.04 3.23 1.02 -1.26 -1.72 119.74 117.69 2jsf s LYS 100 Ca 0.39 0.89 -0.02 0.00 0.02 0.00 0.00 55.97 57.25 2jsf s LYS 100 Cb -0.03 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.57 2jsf s LYS 100 CO 0.24 -0.10 0.05 -0.51 -0.92 0.00 0.00 175.35 174.12 2jsf s LEU 101 N 0.67 0.18 -0.07 3.17 1.02 0.64 -4.91 118.68 119.39 2jsf s LEU 101 Ca -0.03 0.06 -0.23 0.00 0.02 0.00 0.00 54.13 53.96 2jsf s LEU 101 Cb -0.05 -0.17 -0.04 0.00 0.02 0.00 0.00 46.19 45.96 2jsf s LEU 101 CO -0.04 -0.25 0.67 0.21 0.02 0.00 0.00 176.35 176.96 2jsf s ASN 102 N 2.15 6.95 -0.18 2.29 3.84 -1.25 0.16 114.94 128.91 2jsf s ASN 102 Ca 0.05 1.15 0.01 0.00 0.21 0.00 0.00 52.86 54.28 2jsf s ASN 102 Cb -0.12 -2.40 0.02 0.00 -0.55 0.00 0.00 41.25 38.20 2jsf s ASN 102 CO -0.03 -0.09 -0.20 0.86 -2.79 0.00 0.00 177.10 174.85 2jsf s TRP 103 N 0.73 2.77 -1.21 0.43 -0.11 0.59 -4.89 118.94 117.25 2jsf s TRP 103 Ca 0.36 -1.57 -0.15 0.00 1.22 0.00 0.00 56.10 55.96 2jsf s TRP 103 Cb -0.17 -1.91 0.15 0.00 -1.50 0.00 0.00 33.47 30.03 2jsf s TRP 103 CO 0.17 -0.77 1.47 0.12 -4.62 0.00 0.00 176.95 173.32 2jsf s PHE 104 N 1.23 3.36 -0.56 5.86 5.36 -1.26 -1.50 117.98 130.46 2jsf s PHE 104 Ca 0.03 -2.01 -0.28 0.00 -0.96 0.00 0.00 56.93 53.71 2jsf s PHE 104 Cb -0.13 -4.39 0.02 0.00 -0.34 0.00 0.00 43.02 38.18 2jsf s PHE 104 CO -0.11 -1.47 1.31 0.15 -1.46 0.00 0.00 175.22 173.65 2jsf s LYS 105 N 2.08 3.41 -0.22 10.12 -0.14 -0.55 -4.94 119.74 129.51 2jsf s LYS 105 Ca 0.44 0.38 -0.04 0.00 -1.36 0.00 0.00 55.97 55.40 2jsf s LYS 105 Cb -0.02 -4.07 -0.01 0.00 -1.68 0.00 0.00 37.83 32.05 2jsf s LYS 105 CO 0.01 -1.81 -0.05 -1.59 -0.76 0.00 0.00 175.35 171.15 2jsf s LYS 106 N 5.24 3.37 3.87 1.68 -2.85 -1.26 -1.48 119.74 128.31 2jsf s LYS 106 Ca 0.48 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 2jsf s LYS 106 Cb -0.09 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.69 2jsf s LYS 106 CO 0.25 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.93 2jsf n GLY 107 N 4.74 3.13 0.00 0.59 0.00 -1.26 -4.75 105.19 107.64 2jsf n GLY 107 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2jsf n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jsf n SER 108 N 3.86 0.00 -4.59 1.61 7.64 -1.26 -5.07 113.62 115.81 2jsf n SER 108 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2jsf n SER 108 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2jsf n SER 108 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jsf s SER 109 N 0.00 6.53 -0.70 6.43 0.01 -1.26 -4.94 113.70 119.77 2jsf s SER 109 Ca 0.00 0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 2jsf s SER 109 Cb 0.00 -2.36 0.41 0.00 0.21 0.00 0.00 66.02 64.28 2jsf s SER 109 CO 0.00 -0.60 1.91 0.18 0.41 0.00 0.00 173.24 175.14 2jsf n LEU 110 N 6.13 7.25 -2.69 2.44 4.77 -1.26 -4.72 117.00 128.92 2jsf n LEU 110 Ca 0.01 -4.60 -0.01 0.00 -0.03 0.00 0.00 56.01 51.38 2jsf n LEU 110 Cb 0.48 -0.94 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 2jsf n LEU 110 CO 0.50 1.68 0.51 -0.70 -1.33 0.00 0.00 177.39 178.05 2jsf s GLU 111 N -3.89 0.12 -0.50 3.23 2.12 -1.26 -5.04 118.70 113.47 2jsf s GLU 111 Ca 0.58 -0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.85 2jsf s GLU 111 Cb 0.47 0.00 0.43 0.00 0.26 0.00 0.00 34.13 35.29 2jsf s GLU 111 CO -0.18 -0.16 1.49 -2.39 -0.54 0.00 0.00 175.26 173.48 2jsf n HIS 112 N 3.07 3.07 -3.61 5.30 1.44 -1.26 -4.90 115.22 118.32 2jsf n HIS 112 Ca 0.08 -2.65 -0.38 0.00 -2.01 0.00 0.00 57.72 52.76 2jsf n HIS 112 Cb 0.65 -0.65 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 2jsf n HIS 112 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jsf s HIS 113 N -3.71 3.66 0.08 -1.40 5.04 -1.26 -4.82 115.29 112.88 2jsf s HIS 113 Ca 0.53 -2.70 -0.00 0.00 -1.54 0.00 0.00 55.06 51.35 2jsf s HIS 113 Cb 0.43 -3.35 -0.00 0.00 0.04 0.00 0.00 32.58 29.71 2jsf s HIS 113 CO -0.10 -0.84 -0.00 1.58 -2.34 0.00 0.00 174.74 173.04 2jsf n HIS 114 N 3.14 0.00 0.77 3.88 -0.00 -1.26 -4.70 115.22 117.05 2jsf n HIS 114 Ca 0.14 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.42 2jsf n HIS 114 Cb 0.39 -0.01 0.45 0.00 -0.12 0.00 0.00 29.99 30.71 2jsf n HIS 114 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jsf n HIS 115 N -3.45 0.00 -4.46 1.57 8.25 -1.26 -4.80 115.22 111.08 2jsf n HIS 115 Ca -0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2jsf n HIS 115 Cb 0.07 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 30.66 2jsf n HIS 115 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jsf s HIS 116 N -2.86 1.78 0.00 4.41 3.76 -1.26 -5.32 115.29 115.79 2jsf s HIS 116 Ca 0.13 -1.24 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 2jsf s HIS 116 Cb 0.13 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.71 2jsf s HIS 116 CO 0.34 -0.29 0.00 -2.39 -0.85 0.00 0.00 174.74 171.56