#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 -5.12 -3.60 6.12 8.00 -1.26 -4.97 116.55 115.72 2jsf n ASP 2 Ca 0.00 -1.05 -0.25 0.00 0.71 0.00 0.00 54.79 54.20 2jsf n ASP 2 Cb 0.00 -2.93 -0.17 0.00 -0.02 0.00 0.00 41.12 38.01 2jsf n ASP 2 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jsf s LYS 3 N -6.16 0.06 -0.08 -1.24 1.02 -1.26 -5.01 119.74 107.07 2jsf s LYS 3 Ca 0.44 -0.00 -0.06 0.00 0.02 0.00 0.00 55.97 56.37 2jsf s LYS 3 Cb -0.18 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2jsf s LYS 3 CO 0.89 -0.64 0.12 1.28 -0.92 0.00 0.00 175.35 176.08 2jsf n LEU 4 N 5.29 -5.15 0.00 3.17 7.99 -1.26 -5.00 117.00 122.04 2jsf n LEU 4 Ca -0.06 1.78 0.00 0.00 -0.01 0.00 0.00 56.01 57.72 2jsf n LEU 4 Cb 0.49 -2.51 0.00 0.00 -0.11 0.00 0.00 43.42 41.30 2jsf n LEU 4 CO 0.09 -3.30 -0.00 0.00 -1.51 0.00 0.00 177.39 172.67 2jsf n GLN 5 N 2.07 0.00 -2.28 3.23 1.13 -1.26 -5.06 117.38 115.20 2jsf n GLN 5 Ca -0.20 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.44 2jsf n GLN 5 Cb 0.30 -0.24 -0.03 0.00 0.11 0.00 0.00 30.24 30.38 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jsf s LEU 6 N -4.04 4.35 -0.34 1.08 1.02 -1.26 -4.99 118.68 114.49 2jsf s LEU 6 Ca 0.00 2.13 0.01 0.00 0.02 0.00 0.00 54.13 56.29 2jsf s LEU 6 Cb 0.00 -3.57 0.11 0.00 0.02 0.00 0.00 46.19 42.74 2jsf s LEU 6 CO 0.00 -0.61 0.12 -0.75 0.02 0.00 0.00 176.35 175.13 2jsf s LYS 7 N 1.54 0.94 0.00 1.70 2.47 -1.26 -5.02 119.74 120.11 2jsf s LYS 7 Ca 0.62 -1.40 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 2jsf s LYS 7 Cb -0.32 -2.23 0.00 0.00 -1.46 0.00 0.00 37.83 33.82 2jsf s LYS 7 CO 0.28 -1.02 0.00 0.41 0.16 0.00 0.00 175.35 175.18 2jsf n GLY 8 N 4.46 -1.46 5.15 5.54 0.00 -1.26 -5.03 105.19 112.58 2jsf n GLY 8 Ca 0.01 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.04 2jsf n GLY 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jsf n MET 9 N 0.00 0.00 -1.47 1.61 2.81 -1.26 -4.88 117.12 113.93 2jsf n MET 9 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 2jsf n MET 9 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.43 2jsf n MET 9 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jsf n SER 10 N 1.23 -7.94 0.00 7.83 2.88 -1.26 -5.04 113.62 111.32 2jsf n SER 10 Ca 0.00 1.54 0.00 0.00 -1.33 0.00 0.00 58.87 59.08 2jsf n SER 10 Cb 0.00 -5.00 0.00 0.00 -0.75 0.00 0.00 64.21 58.46 2jsf n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jsf n TYR 11 N -4.05 -0.68 0.00 0.66 4.19 -1.26 -5.11 117.16 110.91 2jsf n TYR 11 Ca -0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.13 2jsf n TYR 11 Cb 0.65 0.26 0.00 0.00 0.49 0.00 0.00 39.34 40.75 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 -1.79 0.00 -2.93 2.98 2.88 -1.26 -4.95 113.62 108.54 2jsf n SER 12 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2jsf n SER 12 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jsf n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jsf s MET 13 N 2.92 0.01 -0.67 -1.46 0.23 -1.26 -3.86 119.30 115.21 2jsf s MET 13 Ca 0.00 0.00 -0.26 0.00 -1.03 0.00 0.00 55.69 54.40 2jsf s MET 13 Cb 0.00 0.00 -0.11 0.00 -1.53 0.00 0.00 34.83 33.20 2jsf s MET 13 CO 0.00 -0.02 2.39 0.00 -2.03 0.00 0.00 175.02 175.36 2jsf n THR 15 N 8.44 0.00 0.00 0.00 -2.24 -1.26 -4.10 114.28 115.11 2jsf n THR 15 Ca 0.42 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2jsf n THR 15 Cb 0.48 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 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 1.36 -0.94 3.34 3.38 0.00 -1.26 -4.48 105.19 106.60 2jsf n GLY 16 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2jsf n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsf s LYS 17 N 0.00 1.74 0.01 1.61 1.02 -1.26 -4.35 119.74 118.52 2jsf s LYS 17 Ca 0.00 -2.02 0.01 0.00 0.02 0.00 0.00 55.97 53.98 2jsf s LYS 17 Cb 0.00 0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.34 2jsf s LYS 17 CO 0.00 -0.57 -0.04 -0.06 -0.92 0.00 0.00 175.35 173.76 2jsf s PHE 18 N -3.46 0.39 -0.23 3.18 0.40 -1.26 -0.58 117.98 116.43 2jsf s PHE 18 Ca 0.36 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2jsf s PHE 18 Cb 0.03 -0.25 0.01 0.00 0.51 0.00 0.00 43.02 43.33 2jsf s PHE 18 CO 0.22 -0.06 -0.07 0.21 0.70 0.00 0.00 175.22 176.22 2jsf s LYS 19 N -0.75 3.08 0.25 0.44 2.20 0.00 -4.61 119.74 120.35 2jsf s LYS 19 Ca -0.05 -0.81 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 2jsf s LYS 19 Cb -0.05 -2.94 -0.12 0.00 -1.51 0.00 0.00 37.83 33.21 2jsf s LYS 19 CO -0.00 -0.29 1.66 0.28 -0.36 0.00 0.00 175.35 176.64 2jsf n VAL 20 N 4.72 0.49 -0.04 4.02 0.31 -1.26 0.10 118.33 126.66 2jsf n VAL 20 Ca -0.18 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.02 2jsf n VAL 20 Cb 0.49 -1.97 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 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 3.08 0.57 -3.66 2.52 0.31 0.43 -4.76 118.33 116.82 2jsf n VAL 21 Ca 0.12 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 2jsf n VAL 21 Cb 0.36 -0.34 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.58 0.63 0.82 5.55 2.20 0.31 -4.93 119.74 121.75 2jsf s LYS 22 Ca -0.06 1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 56.40 2jsf s LYS 22 Cb 0.06 0.16 -0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2jsf s LYS 22 CO 0.57 -0.13 0.51 -1.91 -0.36 0.00 0.00 175.35 174.02 2jsf n GLU 23 N 3.81 0.05 -1.64 4.03 2.13 -1.26 -2.76 120.64 125.00 2jsf n GLU 23 Ca -0.19 0.07 -0.47 0.00 0.66 0.00 0.00 57.16 57.23 2jsf n GLU 23 Cb 0.57 -1.87 -0.04 0.00 0.27 0.00 0.00 31.44 30.37 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 -2.93 0.56 -3.79 6.31 2.08 -1.25 -4.54 119.36 115.78 2jsf n ILE 24 Ca 0.09 -0.14 -0.23 0.00 0.56 0.00 0.00 62.75 63.03 2jsf n ILE 24 Cb 0.51 -1.30 -0.04 0.00 -0.75 0.00 0.00 39.64 38.06 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 0.25 3.94 -0.08 -1.39 0.00 0.75 -4.78 121.76 120.45 2jsf s ALA 25 Ca 0.74 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.82 2jsf s ALA 25 Cb -0.73 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 2jsf s ALA 25 CO 0.46 -0.23 -0.17 -1.83 0.00 0.00 0.00 175.76 173.99 2jsf s GLU 26 N -4.07 2.88 0.67 0.00 1.03 -1.26 0.27 118.70 118.22 2jsf s GLU 26 Ca 0.44 -0.76 0.00 0.00 0.03 0.00 0.00 54.97 54.69 2jsf s GLU 26 Cb -0.01 -2.41 0.10 0.00 -0.80 0.00 0.00 34.13 31.01 2jsf s GLU 26 CO 0.25 0.38 0.93 0.95 -1.33 0.00 0.00 175.26 176.45 2jsf s THR 27 N -0.12 2.28 -0.32 1.83 -4.23 -0.19 -4.86 115.64 110.02 2jsf s THR 27 Ca -0.02 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2jsf s THR 27 Cb -0.14 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.37 2jsf s THR 27 CO 0.04 0.00 1.32 0.00 -0.54 0.00 0.00 174.62 175.44 2jsf n GLN 28 N -2.68 1.88 0.00 3.99 1.13 -1.26 -3.67 117.38 116.77 2jsf n GLN 28 Ca 0.13 -1.37 0.00 0.00 -1.94 0.00 0.00 57.00 53.82 2jsf n GLN 28 Cb 0.60 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2jsf n GLN 28 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2jsf n HIS 29 N -0.10 0.00 -0.22 1.08 8.25 -1.26 -4.97 115.22 118.00 2jsf n HIS 29 Ca 0.23 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2jsf n HIS 29 Cb 0.94 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.03 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 -0.15 0.69 3.06 -1.41 0.00 -1.24 -5.06 105.19 101.07 2jsf n GLY 30 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.07 0.00 -4.04 2.61 -2.24 -1.26 -4.10 114.28 103.17 2jsf n THR 31 Ca 0.00 -1.39 -0.09 0.00 -2.27 0.00 0.00 64.05 60.30 2jsf n THR 31 Cb 0.00 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.34 2jsf n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jsf s ILE 32 N -2.06 0.28 -0.10 2.28 1.01 0.12 -1.02 121.20 121.70 2jsf s ILE 32 Ca 0.50 -1.30 0.04 0.00 0.00 0.00 0.00 60.65 59.89 2jsf s ILE 32 Cb -0.03 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 2jsf s ILE 32 CO 0.32 -0.66 -0.24 -0.69 0.00 0.00 0.00 174.94 173.68 2jsf s VAL 33 N -2.36 2.10 -0.20 2.92 1.01 0.77 -0.80 120.40 123.84 2jsf s VAL 33 Ca -0.06 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 2jsf s VAL 33 Cb -0.03 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 2jsf s VAL 33 CO -0.04 0.56 -0.10 -0.51 0.00 0.00 0.00 175.10 175.01 2jsf s ILE 34 N 0.27 2.94 -0.32 2.22 -1.16 0.21 0.27 121.20 125.63 2jsf s ILE 34 Ca -0.17 -0.65 -0.08 0.00 -0.51 0.00 0.00 60.65 59.24 2jsf s ILE 34 Cb -0.17 -2.30 0.01 0.00 0.61 0.00 0.00 42.46 40.60 2jsf s ILE 34 CO 0.08 0.47 0.13 -0.60 -2.81 0.00 0.00 174.94 172.21 2jsf s ARG 35 N 1.33 3.06 0.00 3.50 3.52 -1.11 0.15 118.95 129.39 2jsf s ARG 35 Ca 0.04 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 2jsf s ARG 35 Cb -0.14 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 2jsf s ARG 35 CO -0.05 -0.51 0.00 1.33 -0.81 0.00 0.00 175.30 175.25 2jsf n VAL 36 N 4.92 0.00 -4.06 7.11 0.24 0.15 0.16 118.33 126.86 2jsf n VAL 36 Ca -0.14 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.96 2jsf n VAL 36 Cb 0.48 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.93 0.75 0.10 7.34 0.74 0.28 0.11 119.66 127.05 2jsf s GLN 37 Ca 0.00 -0.05 -0.31 0.00 0.05 0.00 0.00 55.36 55.05 2jsf s GLN 37 Cb 0.00 -0.84 -0.10 0.00 1.10 0.00 0.00 33.01 33.17 2jsf s GLN 37 CO 0.00 -0.13 1.86 -0.47 -0.55 0.00 0.00 175.29 176.00 2jsf s TYR 38 N 1.14 1.95 -0.06 1.67 5.04 -1.26 -0.82 117.35 125.01 2jsf s TYR 38 Ca -0.08 -0.12 0.17 0.00 -2.44 0.00 0.00 57.07 54.61 2jsf s TYR 38 Cb -0.14 -4.19 -0.26 0.00 0.35 0.00 0.00 41.96 37.71 2jsf s TYR 38 CO -0.01 -5.02 0.32 0.39 -1.34 0.00 0.00 175.55 169.89 2jsf n GLU 39 N 6.11 0.71 0.00 4.97 -0.58 0.26 -4.00 120.64 128.11 2jsf n GLU 39 Ca 0.18 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2jsf n GLU 39 Cb 0.39 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2jsf n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jsf n GLY 40 N 1.59 -2.83 2.60 0.62 0.00 -0.55 -4.51 105.19 102.10 2jsf n GLY 40 Ca -0.09 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.75 2.42 0.00 1.61 -4.77 -1.26 -4.81 116.67 108.11 2jsf s ASP 41 Ca 0.00 -1.60 0.00 0.00 -3.30 0.00 0.00 52.55 47.65 2jsf s ASP 41 Cb 0.00 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 2jsf s ASP 41 CO 0.00 -0.34 0.49 0.61 0.70 0.00 0.00 175.17 176.63 2jsf n GLY 42 N 4.57 0.02 7.00 2.12 0.00 -1.26 -4.92 105.19 112.72 2jsf n GLY 42 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.26 -4.51 1.61 2.88 -1.26 -4.06 113.62 107.03 2jsf n SER 43 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2jsf n SER 43 Cb 0.55 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.13 -4.19 -1.46 -0.02 -1.25 -4.62 135.00 123.59 2jsf n PRO 44 Ca 0.00 -0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.29 2jsf n PRO 44 Cb 0.00 -1.64 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 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 -4.07 2.82 -0.20 0.00 1.02 -1.25 -0.62 119.74 117.44 2jsf s LYS 46 Ca 0.38 -0.13 -0.05 0.00 0.02 0.00 0.00 55.97 56.19 2jsf s LYS 46 Cb 0.06 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2jsf s LYS 46 CO 0.13 -0.72 -0.00 0.42 -0.92 0.00 0.00 175.35 174.26 2jsf s ILE 47 N -2.96 3.93 0.52 2.17 -1.09 0.73 0.28 121.20 124.78 2jsf s ILE 47 Ca 0.54 -0.32 -0.22 0.00 -2.23 0.00 0.00 60.65 58.42 2jsf s ILE 47 Cb -0.10 -2.77 -0.06 0.00 -1.58 0.00 0.00 42.46 37.94 2jsf s ILE 47 CO 0.44 0.43 1.31 -2.84 -1.23 0.00 0.00 174.94 173.05 2jsf s PRO 48 N 0.97 3.34 0.14 2.79 0.02 -1.26 -3.79 135.00 137.21 2jsf s PRO 48 Ca 0.01 2.11 -0.18 0.00 0.02 0.00 0.00 61.00 62.97 2jsf s PRO 48 Cb -0.14 -2.32 0.04 0.00 0.02 0.00 0.00 34.50 32.10 2jsf s PRO 48 CO 0.02 -0.99 0.45 0.12 -0.33 0.00 0.00 177.00 176.27 2jsf s PHE 49 N -1.36 -0.28 -0.30 6.54 5.36 -1.26 -1.49 117.98 125.19 2jsf s PHE 49 Ca 0.69 -0.02 -0.18 0.00 -0.96 0.00 0.00 56.93 56.46 2jsf s PHE 49 Cb -0.37 0.33 0.18 0.00 -0.34 0.00 0.00 43.02 42.82 2jsf s PHE 49 CO 0.45 -0.75 1.23 -2.00 -1.46 0.00 0.00 175.22 172.68 2jsf s GLU 50 N -3.79 0.07 -0.92 10.12 2.56 -0.43 -4.93 118.70 121.38 2jsf s GLU 50 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 54.97 55.14 2jsf s GLU 50 Cb 0.01 0.08 0.31 0.00 2.00 0.00 0.00 34.13 36.54 2jsf s GLU 50 CO -0.12 -0.04 1.46 -0.89 -0.56 0.00 0.00 175.26 175.11 2jsf n ILE 51 N 5.01 4.96 0.06 -3.70 5.41 -1.26 0.56 119.36 130.40 2jsf n ILE 51 Ca -0.08 -5.82 0.00 0.00 1.00 0.00 0.00 62.75 57.85 2jsf n ILE 51 Cb 0.55 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 2jsf n ILE 51 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 2jsf n MET 52 N 0.34 0.00 0.00 0.38 1.56 -1.24 -4.15 117.12 114.02 2jsf n MET 52 Ca 0.37 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 2jsf n MET 52 Cb 0.32 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.69 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 -2.78 0.00 0.00 6.12 -0.08 -1.26 -3.42 116.55 115.13 2jsf n ASP 53 Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 2jsf n ASP 53 Cb 0.00 0.00 0.28 0.00 2.34 0.00 0.00 41.12 43.74 2jsf n ASP 53 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jsf n LEU 54 N 0.00 0.00 -2.84 -2.67 4.32 -1.26 -3.47 117.00 111.08 2jsf n LEU 54 Ca 0.00 0.37 -0.11 0.00 -0.02 0.00 0.00 56.01 56.25 2jsf n LEU 54 Cb 0.00 -0.37 0.05 0.00 -1.62 0.00 0.00 43.42 41.47 2jsf n LEU 54 CO 0.00 -0.23 0.11 1.21 -1.22 0.00 0.00 177.39 177.26 2jsf n GLU 55 N -1.37 1.07 -3.21 3.23 2.13 -1.22 -5.03 120.64 116.23 2jsf n GLU 55 Ca 0.04 -2.62 -0.44 0.00 0.66 0.00 0.00 57.16 54.80 2jsf n GLU 55 Cb 0.11 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 30.76 2jsf n GLU 55 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2jsf n LYS 56 N 0.05 3.71 -0.05 5.31 0.00 -1.23 -4.67 118.16 121.29 2jsf n LYS 56 Ca 0.10 -4.40 -0.05 0.00 0.00 0.00 0.00 58.31 53.97 2jsf n LYS 56 Cb 0.75 -2.60 -0.08 0.00 0.00 0.00 0.00 35.03 33.10 2jsf n LYS 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2jsf n ARG 57 N 2.72 2.28 0.03 1.64 0.63 -1.26 -5.01 116.66 117.69 2jsf n ARG 57 Ca 0.26 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 2jsf n ARG 57 Cb 0.38 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.03 2jsf n ARG 57 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2jsf n HIS 58 N -2.37 -2.68 -2.61 -0.14 -0.00 -1.26 -5.14 115.22 101.02 2jsf n HIS 58 Ca -0.16 0.20 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 2jsf n HIS 58 Cb 0.82 0.92 -0.00 0.00 -0.00 0.00 0.00 29.99 31.73 2jsf n HIS 58 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2jsf s VAL 59 N -1.96 4.89 -0.02 3.57 -7.23 -1.26 -5.07 120.40 113.33 2jsf s VAL 59 Ca 0.00 0.27 -0.11 0.00 -1.81 0.00 0.00 61.98 60.33 2jsf s VAL 59 Cb 0.00 -3.86 0.04 0.00 0.56 0.00 0.00 36.38 33.12 2jsf s VAL 59 CO 0.00 -0.84 0.49 0.00 -0.31 0.00 0.00 175.10 174.44 2jsf n LEU 60 N -2.22 0.00 0.00 1.32 -0.00 -1.26 -4.86 117.00 109.98 2jsf n LEU 60 Ca 0.01 -0.07 -0.11 0.00 -0.00 0.00 0.00 56.01 55.83 2jsf n LEU 60 Cb 0.55 0.62 0.11 0.00 -0.00 0.00 0.00 43.42 44.70 2jsf n LEU 60 CO 0.53 -0.02 0.13 0.61 -0.00 0.00 0.00 177.39 178.64 2jsf n GLY 61 N -0.35 -2.22 3.68 1.47 0.00 -1.26 -4.90 105.19 101.61 2jsf n GLY 61 Ca 0.02 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.04 2.14 -0.20 1.61 3.00 0.12 -4.90 118.95 117.67 2jsf s ARG 62 Ca 0.25 -1.81 -0.01 0.00 -1.00 0.00 0.00 55.73 53.16 2jsf s ARG 62 Cb -0.04 -1.94 0.06 0.00 0.00 0.00 0.00 34.95 33.03 2jsf s ARG 62 CO 0.21 0.02 -0.01 -1.17 0.00 0.00 0.00 175.30 174.35 2jsf s LEU 63 N -3.80 1.70 0.42 -0.88 1.98 -1.26 0.40 118.68 117.24 2jsf s LEU 63 Ca 0.37 -0.91 0.21 0.00 -2.89 0.00 0.00 54.13 50.91 2jsf s LEU 63 Cb 0.02 -0.83 0.91 0.00 0.66 0.00 0.00 46.19 46.96 2jsf s LEU 63 CO 0.21 -0.27 1.84 0.40 -1.89 0.00 0.00 176.35 176.64 2jsf h ILE 64 N 6.55 0.76 -0.46 6.68 1.08 0.28 -2.29 117.51 130.12 2jsf h ILE 64 Ca -0.18 -1.18 -0.24 0.00 -0.39 0.00 0.00 64.86 62.88 2jsf h ILE 64 Cb 1.10 1.74 -0.14 0.00 -3.07 0.00 0.00 36.82 36.45 2jsf h ILE 64 CO 0.37 0.27 0.02 0.41 -0.69 0.00 0.00 178.15 178.54 2jsf n THR 65 N -3.57 2.67 0.00 -0.27 -1.04 -0.94 -4.94 114.28 106.19 2jsf n THR 65 Ca -0.01 -2.66 0.00 0.00 -2.04 0.00 0.00 64.05 59.35 2jsf n THR 65 Cb 0.42 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 -1.13 0.00 -3.76 12.58 0.31 -0.86 -0.54 118.33 124.93 2jsf n VAL 66 Ca 0.38 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.47 2jsf n VAL 66 Cb 1.14 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 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 0.00 -5.00 -3.20 4.52 2.85 -1.26 -4.89 115.26 108.28 2jsf n ASN 67 Ca 0.00 -0.93 -0.08 0.00 -0.11 0.00 0.00 54.58 53.46 2jsf n ASN 67 Cb 0.00 -1.89 0.08 0.00 1.24 0.00 0.00 39.78 39.21 2jsf n ASN 67 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2jsf n PRO 68 N -2.67 -1.18 -3.86 1.20 -0.04 0.30 -3.64 135.00 125.10 2jsf n PRO 68 Ca -0.30 -0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 62.65 2jsf n PRO 68 Cb 0.68 -0.71 -0.12 0.00 -0.04 0.00 0.00 33.50 33.31 2jsf n PRO 68 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jsf s ILE 69 N -1.27 0.03 0.24 0.52 1.01 -1.26 0.26 121.20 120.74 2jsf s ILE 69 Ca 0.18 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.61 2jsf s ILE 69 Cb -0.03 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2jsf s ILE 69 CO 0.15 -0.15 0.30 -0.69 0.00 0.00 0.00 174.94 174.55 2jsf s VAL 70 N -0.47 5.00 -0.09 2.92 1.01 0.21 -4.92 120.40 124.05 2jsf s VAL 70 Ca -0.05 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 60.86 2jsf s VAL 70 Cb -0.04 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2jsf s VAL 70 CO 0.00 -0.32 0.12 0.41 0.00 0.00 0.00 175.10 175.31 2jsf n THR 71 N -1.27 0.00 -2.11 3.92 -1.04 -1.26 -2.41 114.28 110.11 2jsf n THR 71 Ca -0.09 -0.27 0.01 0.00 -2.04 0.00 0.00 64.05 61.67 2jsf n THR 71 Cb 0.57 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 2jsf n THR 71 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jsf n GLU 72 N -1.33 0.00 -0.56 -2.82 1.02 -1.26 -3.97 120.64 111.72 2jsf n GLU 72 Ca 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 2jsf n GLU 72 Cb 0.07 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 2jsf n GLU 72 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jsf n LYS 73 N 0.11 0.00 0.00 3.49 5.02 -1.26 -4.51 118.16 121.01 2jsf n LYS 73 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2jsf n LYS 73 Cb 0.79 -3.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 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 0.00 0.00 -4.59 4.39 -0.08 -1.26 -4.20 116.55 110.81 2jsf n ASP 74 Ca 0.00 -0.96 -0.42 0.00 -1.51 0.00 0.00 54.79 51.89 2jsf n ASP 74 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 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 0.00 6.09 -0.02 1.67 0.15 -1.26 -4.64 113.70 115.68 2jsf s SER 75 Ca 0.00 0.84 -0.38 0.00 0.70 0.00 0.00 55.95 57.11 2jsf s SER 75 Cb 0.00 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.61 2jsf s SER 75 CO 0.00 -1.63 1.42 -0.81 1.20 0.00 0.00 173.24 173.42 2jsf n PRO 76 N 8.36 1.02 -4.74 5.44 -0.04 -1.26 -4.34 135.00 139.44 2jsf n PRO 76 Ca 0.18 0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 63.70 2jsf n PRO 76 Cb 0.48 -2.01 -0.13 0.00 -0.04 0.00 0.00 33.50 31.81 2jsf n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jsf s VAL 77 N 1.23 2.88 -0.14 0.52 1.01 0.30 -4.85 120.40 121.36 2jsf s VAL 77 Ca 0.89 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2jsf s VAL 77 Cb -1.02 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2jsf s VAL 77 CO 0.53 0.42 0.02 0.20 0.00 0.00 0.00 175.10 176.27 2jsf s ASN 78 N -1.20 5.29 -0.19 3.32 -0.87 -1.24 0.35 114.94 120.39 2jsf s ASN 78 Ca 0.14 0.07 -0.00 0.00 -1.57 0.00 0.00 52.86 51.49 2jsf s ASN 78 Cb -0.11 -1.74 0.01 0.00 -0.02 0.00 0.00 41.25 39.40 2jsf s ASN 78 CO 0.04 0.26 -0.15 -0.63 -2.57 0.00 0.00 177.10 174.05 2jsf s ILE 79 N -0.16 2.47 -0.41 0.60 1.01 0.41 -4.79 121.20 120.32 2jsf s ILE 79 Ca 0.05 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 2jsf s ILE 79 Cb -0.12 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.28 2jsf s ILE 79 CO 0.02 0.49 0.49 -0.70 0.00 0.00 0.00 174.94 175.24 2jsf s GLU 80 N 1.34 3.21 0.10 2.79 2.56 -1.25 -0.62 118.70 126.84 2jsf s GLU 80 Ca 0.05 -0.59 0.07 0.00 0.00 0.00 0.00 54.97 54.50 2jsf s GLU 80 Cb -0.14 -3.94 -0.03 0.00 2.00 0.00 0.00 34.13 32.02 2jsf s GLU 80 CO -0.10 -0.86 -0.19 0.00 -0.56 0.00 0.00 175.26 173.55 2jsf s ALA 81 N 2.33 1.65 -0.50 6.30 0.00 0.02 0.24 121.76 131.80 2jsf s ALA 81 Ca 0.15 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 2jsf s ALA 81 Cb -0.16 -0.21 0.11 0.00 0.00 0.00 0.00 23.12 22.86 2jsf s ALA 81 CO 0.15 0.31 0.43 -2.00 0.00 0.00 0.00 175.76 174.65 2jsf s GLU 82 N -1.88 2.86 0.44 0.00 2.56 0.16 0.14 118.70 122.99 2jsf s GLU 82 Ca 0.05 -1.61 -0.24 0.00 0.00 0.00 0.00 54.97 53.16 2jsf s GLU 82 Cb -0.10 -4.15 -0.08 0.00 2.00 0.00 0.00 34.13 31.81 2jsf s GLU 82 CO 0.04 -1.20 1.25 -1.25 -0.56 0.00 0.00 175.26 173.54 2jsf s PRO 83 N 1.55 3.78 0.00 4.30 0.04 -1.26 0.10 135.00 143.52 2jsf s PRO 83 Ca 0.04 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2jsf s PRO 83 Cb -0.27 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2jsf s PRO 83 CO 0.03 -0.60 0.68 -0.35 0.04 0.00 0.00 177.00 176.80 2jsf n PRO 84 N -0.25 0.00 0.00 0.56 -0.04 -1.26 -4.89 135.00 129.12 2jsf n PRO 84 Ca 0.06 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2jsf n PRO 84 Cb 0.45 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2jsf n PRO 84 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2jsf n PHE 85 N -1.37 0.00 -4.09 0.54 1.16 -1.26 -5.11 117.46 107.33 2jsf n PHE 85 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2jsf n PHE 85 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2jsf n PHE 85 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jsf n GLY 86 N -0.14 -1.41 3.77 4.97 0.00 0.16 -4.81 105.19 107.74 2jsf n GLY 86 Ca 0.00 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 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 6.49 0.09 1.61 1.01 -1.26 -1.29 116.67 119.32 2jsf s ASP 87 Ca 0.00 2.77 -0.12 0.00 0.71 0.00 0.00 52.55 55.92 2jsf s ASP 87 Cb 0.00 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2jsf s ASP 87 CO 0.00 -0.74 0.27 -0.44 0.21 0.00 0.00 175.17 174.47 2jsf s SER 88 N -0.48 -0.02 -0.22 0.27 0.01 -0.21 -4.91 113.70 108.13 2jsf s SER 88 Ca 0.53 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.30 2jsf s SER 88 Cb -0.41 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.27 2jsf s SER 88 CO 0.54 -0.74 0.03 -0.31 0.41 0.00 0.00 173.24 173.17 2jsf s TYR 89 N -3.59 1.44 -0.45 2.43 1.51 -1.25 0.25 117.35 117.69 2jsf s TYR 89 Ca 0.02 -1.21 -0.28 0.00 -1.01 0.00 0.00 57.07 54.59 2jsf s TYR 89 Cb 0.03 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2jsf s TYR 89 CO -0.10 -0.70 1.48 0.42 -1.11 0.00 0.00 175.55 175.55 2jsf s ILE 90 N 1.72 3.79 0.07 2.71 1.09 0.64 -3.68 121.20 127.53 2jsf s ILE 90 Ca -0.00 0.77 -0.14 0.00 -1.10 0.00 0.00 60.65 60.18 2jsf s ILE 90 Cb -0.17 -4.17 -0.06 0.00 -1.06 0.00 0.00 42.46 36.99 2jsf s ILE 90 CO -0.11 -0.82 0.47 -0.63 -0.10 0.00 0.00 174.94 173.75 2jsf s ILE 91 N 5.94 4.95 -0.02 2.92 1.01 0.19 -0.60 121.20 135.60 2jsf s ILE 91 Ca 0.62 0.81 0.04 0.00 0.00 0.00 0.00 60.65 62.12 2jsf s ILE 91 Cb -0.14 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 2jsf s ILE 91 CO 0.31 0.43 -0.13 -0.63 0.00 0.00 0.00 174.94 174.91 2jsf s ILE 92 N -1.25 1.06 0.00 2.92 1.01 -0.61 -1.32 121.20 123.01 2jsf s ILE 92 Ca 0.30 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2jsf s ILE 92 Cb -0.16 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.41 2jsf s ILE 92 CO 0.17 0.31 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2jsf n GLY 93 N 2.94 -1.69 3.34 6.18 0.00 -0.55 0.27 105.19 115.67 2jsf n GLY 93 Ca -0.16 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 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 2.02 0.00 1.61 -7.23 -1.26 -4.32 120.40 111.22 2jsf s VAL 94 Ca 0.00 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2jsf s VAL 94 Cb 0.00 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2jsf s VAL 94 CO 0.00 0.11 0.00 -0.62 -0.31 0.00 0.00 175.10 174.28 2jsf n GLU 95 N 1.22 0.00 -0.75 4.82 1.02 -1.26 0.04 120.64 125.73 2jsf n GLU 95 Ca -0.18 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.69 2jsf n GLU 95 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.87 2jsf n GLU 95 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jsf n PRO 96 N -3.61 0.01 -0.43 3.49 -0.04 -1.26 -2.07 135.00 131.08 2jsf n PRO 96 Ca 0.00 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 2jsf n PRO 96 Cb 0.00 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 2jsf n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jsf n GLY 97 N 4.55 0.74 3.40 0.55 0.00 -1.18 -4.64 105.19 108.61 2jsf n GLY 97 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 2jsf n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jsf n GLN 98 N -2.13 -0.19 -2.82 1.61 7.27 0.11 -4.16 117.38 117.07 2jsf n GLN 98 Ca 0.00 -0.01 -0.20 0.00 0.07 0.00 0.00 57.00 56.85 2jsf n GLN 98 Cb 0.00 -1.81 0.06 0.00 2.41 0.00 0.00 30.24 30.90 2jsf n GLN 98 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2jsf s LEU 99 N -0.51 3.22 -0.13 1.69 1.43 0.77 -4.88 118.68 120.27 2jsf s LEU 99 Ca 0.57 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2jsf s LEU 99 Cb -0.23 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.82 2jsf s LEU 99 CO 0.67 -1.33 0.45 -0.75 0.23 0.00 0.00 176.35 175.62 2jsf s LYS 100 N -4.76 0.61 -0.17 1.70 2.20 -1.26 -1.58 119.74 116.49 2jsf s LYS 100 Ca 0.61 0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 56.60 2jsf s LYS 100 Cb -0.07 0.29 0.08 0.00 -1.51 0.00 0.00 37.83 36.61 2jsf s LYS 100 CO 0.39 -0.11 0.20 -0.51 -0.36 0.00 0.00 175.35 174.96 2jsf s LEU 101 N -0.23 -0.09 0.03 5.43 1.02 0.23 -4.91 118.68 120.16 2jsf s LEU 101 Ca -0.04 -0.03 -0.30 0.00 0.02 0.00 0.00 54.13 53.78 2jsf s LEU 101 Cb -0.03 0.35 -0.04 0.00 0.02 0.00 0.00 46.19 46.49 2jsf s LEU 101 CO 0.02 -0.30 0.99 0.21 0.02 0.00 0.00 176.35 177.29 2jsf s ASN 102 N 2.32 7.38 -0.10 2.29 3.84 -1.26 0.23 114.94 129.64 2jsf s ASN 102 Ca 0.05 1.72 0.01 0.00 0.21 0.00 0.00 52.86 54.84 2jsf s ASN 102 Cb -0.14 -2.58 0.02 0.00 -0.55 0.00 0.00 41.25 38.00 2jsf s ASN 102 CO -0.10 -0.22 -0.11 0.86 -2.79 0.00 0.00 177.10 174.73 2jsf s TRP 103 N 0.75 1.67 -0.07 0.43 -0.11 0.69 -4.91 118.94 117.40 2jsf s TRP 103 Ca 0.51 -0.79 -0.27 0.00 1.22 0.00 0.00 56.10 56.77 2jsf s TRP 103 Cb -0.22 -1.28 -0.03 0.00 -1.50 0.00 0.00 33.47 30.45 2jsf s TRP 103 CO 0.29 -0.46 0.87 0.12 -4.62 0.00 0.00 176.95 173.14 2jsf s PHE 104 N 1.24 3.56 -0.32 5.86 5.36 -1.26 -1.05 117.98 131.38 2jsf s PHE 104 Ca -0.03 1.46 0.18 0.00 -0.96 0.00 0.00 56.93 57.58 2jsf s PHE 104 Cb -0.14 -3.01 0.46 0.00 -0.34 0.00 0.00 43.02 39.99 2jsf s PHE 104 CO -0.04 -0.06 1.03 1.63 -1.46 0.00 0.00 175.22 176.32 2jsf n LYS 105 N 4.30 1.26 -4.98 10.12 4.76 -0.41 -4.96 118.16 128.24 2jsf n LYS 105 Ca 0.04 -3.13 -0.32 0.00 -2.87 0.00 0.00 58.31 52.02 2jsf n LYS 105 Cb 0.50 -1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 32.38 2jsf n LYS 105 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2jsf s LYS 106 N -2.89 2.54 0.00 1.97 2.36 -1.26 0.36 119.74 122.82 2jsf s LYS 106 Ca 0.26 -0.75 0.00 0.00 -2.55 0.00 0.00 55.97 52.93 2jsf s LYS 106 Cb 0.43 -2.33 0.00 0.00 -1.05 0.00 0.00 37.83 34.88 2jsf s LYS 106 CO 0.01 0.54 0.00 0.41 1.55 0.00 0.00 175.35 177.86 2jsf n GLY 107 N 2.53 0.36 1.28 5.54 0.00 -1.26 -4.94 105.19 108.70 2jsf n GLY 107 Ca -0.17 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2jsf n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jsf n SER 108 N 0.00 0.00 -0.67 1.61 2.88 -1.26 -5.01 113.62 111.17 2jsf n SER 108 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2jsf n SER 108 Cb 0.00 0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 2jsf n SER 108 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jsf n SER 109 N -2.14 -0.38 -2.22 -3.46 2.88 -1.26 -4.98 113.62 102.06 2jsf n SER 109 Ca 0.00 -0.80 -0.28 0.00 -1.33 0.00 0.00 58.87 56.46 2jsf n SER 109 Cb 0.00 0.11 0.13 0.00 -0.75 0.00 0.00 64.21 63.70 2jsf n SER 109 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2jsf n LEU 110 N 0.00 7.02 -4.92 2.46 0.00 -1.26 -4.98 117.00 115.32 2jsf n LEU 110 Ca -0.11 -3.99 -0.26 0.00 0.00 0.00 0.00 56.01 51.65 2jsf n LEU 110 Cb 0.42 -0.88 0.00 0.00 0.00 0.00 0.00 43.42 42.96 2jsf n LEU 110 CO -0.05 1.31 0.38 -1.83 0.00 0.00 0.00 177.39 177.19 2jsf s GLU 111 N -3.57 3.39 -0.19 1.96 -1.05 -1.26 -4.66 118.70 113.32 2jsf s GLU 111 Ca 0.60 -0.03 -0.07 0.00 -0.15 0.00 0.00 54.97 55.32 2jsf s GLU 111 Cb 0.49 -2.45 0.01 0.00 -0.44 0.00 0.00 34.13 31.74 2jsf s GLU 111 CO 0.04 -0.20 0.14 0.72 0.95 0.00 0.00 175.26 176.91 2jsf n HIS 112 N -2.18 -1.84 -4.74 4.83 8.25 -1.26 -5.01 115.22 113.27 2jsf n HIS 112 Ca -0.00 0.80 -0.32 0.00 -0.26 0.00 0.00 57.72 57.93 2jsf n HIS 112 Cb 0.56 -2.25 -0.07 0.00 1.12 0.00 0.00 29.99 29.35 2jsf n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jsf n HIS 113 N 0.79 1.02 0.00 4.41 -0.00 -1.26 -5.10 115.22 115.07 2jsf n HIS 113 Ca -0.00 -2.62 0.00 0.00 0.46 0.00 0.00 57.72 55.56 2jsf n HIS 113 Cb 0.38 -0.28 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 2jsf n HIS 113 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jsf n HIS 114 N -1.25 -0.32 -4.90 1.57 8.25 -1.26 -5.12 115.22 112.20 2jsf n HIS 114 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2jsf n HIS 114 Cb 0.66 0.33 0.00 0.00 1.12 0.00 0.00 29.99 32.10 2jsf n HIS 114 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jsf n HIS 115 N -1.98 -0.04 0.52 4.41 -0.00 -1.26 -3.10 115.22 113.77 2jsf n HIS 115 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 2jsf n HIS 115 Cb 0.00 0.09 0.21 0.00 -0.12 0.00 0.00 29.99 30.18 2jsf n HIS 115 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jsf h HIS 116 N 0.00 0.00 0.00 1.57 2.76 -2.09 -3.58 115.15 113.81 2jsf h HIS 116 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jsf h HIS 116 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2jsf h HIS 116 CO 0.00 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.21