#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 -6.56 -4.91 7.83 2.03 -1.26 -5.00 116.55 108.69 2jsf n ASP 2 Ca 0.00 -0.31 -0.27 0.00 0.52 0.00 0.00 54.79 54.72 2jsf n ASP 2 Cb 0.00 -4.65 0.02 0.00 -0.72 0.00 0.00 41.12 35.77 2jsf n ASP 2 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2jsf s LYS 3 N -3.55 3.14 -0.25 -0.67 2.20 -1.26 -5.09 119.74 114.27 2jsf s LYS 3 Ca 0.18 0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.91 2jsf s LYS 3 Cb -0.02 -2.26 0.14 0.00 -1.51 0.00 0.00 37.83 34.17 2jsf s LYS 3 CO 0.64 -0.58 0.45 -1.17 -0.36 0.00 0.00 175.35 174.33 2jsf s LEU 4 N -4.97 -0.82 0.00 5.43 0.20 -1.26 -5.00 118.68 112.26 2jsf s LEU 4 Ca 0.52 0.58 0.12 0.00 0.69 0.00 0.00 54.13 56.04 2jsf s LEU 4 Cb -0.11 1.45 0.24 0.00 -0.43 0.00 0.00 46.19 47.34 2jsf s LEU 4 CO 0.46 -0.27 1.13 0.00 -0.29 0.00 0.00 176.35 177.38 2jsf n GLN 5 N 5.39 2.07 -0.15 1.98 1.13 -1.26 -5.03 117.38 121.51 2jsf n GLN 5 Ca -0.04 -1.77 0.00 0.00 -1.94 0.00 0.00 57.00 53.24 2jsf n GLN 5 Cb 0.50 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.59 2jsf n GLN 5 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 2jsf n LEU 6 N 0.61 0.00 0.00 1.08 -0.00 -1.26 -5.09 117.00 112.35 2jsf n LEU 6 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2jsf n LEU 6 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2jsf n LEU 6 CO 0.08 0.00 0.42 0.29 -0.00 0.00 0.00 177.39 178.18 2jsf n LYS 7 N 0.00 0.00 0.00 1.47 5.02 -1.26 -5.02 118.16 118.37 2jsf n LYS 7 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2jsf n LYS 7 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jsf n GLY 8 N -0.85 1.52 1.39 0.72 0.00 -1.26 -5.11 105.19 101.60 2jsf n GLY 8 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -3.98 -3.65 1.61 1.56 -1.26 -5.07 117.12 106.33 2jsf n MET 9 Ca 0.00 2.96 -0.02 0.00 -0.27 0.00 0.00 57.70 60.37 2jsf n MET 9 Cb 0.00 -3.32 -0.07 0.00 2.15 0.00 0.00 33.22 31.98 2jsf n MET 9 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2jsf s SER 10 N -3.06 -0.19 0.00 6.12 1.04 -1.26 -5.11 113.70 111.24 2jsf s SER 10 Ca 0.00 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2jsf s SER 10 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2jsf s SER 10 CO 0.00 -0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.16 2jsf n TYR 11 N 2.49 -0.58 0.00 5.02 4.19 -1.26 -5.14 117.16 121.89 2jsf n TYR 11 Ca -0.14 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.07 2jsf n TYR 11 Cb 0.57 0.25 0.00 0.00 0.49 0.00 0.00 39.34 40.65 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 -1.75 0.00 -3.08 2.98 2.88 -1.26 -4.98 113.62 108.41 2jsf n SER 12 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 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 3.62 0.05 -0.38 -1.46 0.23 -1.26 -3.79 119.30 116.31 2jsf s MET 13 Ca 0.00 0.04 -0.27 0.00 -1.03 0.00 0.00 55.69 54.43 2jsf s MET 13 Cb 0.00 0.02 -0.05 0.00 -1.53 0.00 0.00 34.83 33.27 2jsf s MET 13 CO 0.00 -0.09 2.22 0.00 -2.03 0.00 0.00 175.02 175.12 2jsf n THR 15 N 7.78 0.26 0.00 0.00 5.66 -1.26 -3.94 114.28 122.77 2jsf n THR 15 Ca 0.31 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2jsf n THR 15 Cb 0.50 0.97 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 2jsf n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jsf n GLY 16 N 0.28 -1.05 3.13 1.09 0.00 -1.26 -4.49 105.19 102.89 2jsf n GLY 16 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.76 -0.05 1.61 2.36 -0.84 -3.45 119.74 120.13 2jsf s LYS 17 Ca 0.00 -1.26 0.04 0.00 -2.55 0.00 0.00 55.97 52.21 2jsf s LYS 17 Cb 0.00 0.24 -0.00 0.00 -1.05 0.00 0.00 37.83 37.02 2jsf s LYS 17 CO 0.00 -0.19 -0.17 -0.06 1.55 0.00 0.00 175.35 176.48 2jsf s PHE 18 N -3.95 1.70 -0.23 4.03 0.40 -0.08 0.27 117.98 120.12 2jsf s PHE 18 Ca 0.12 -0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 55.90 2jsf s PHE 18 Cb 0.07 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.43 2jsf s PHE 18 CO -0.06 -0.18 0.01 0.21 0.70 0.00 0.00 175.22 175.90 2jsf s LYS 19 N 0.08 3.50 0.24 0.44 2.20 -0.29 -4.57 119.74 121.33 2jsf s LYS 19 Ca -0.05 -0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 54.69 2jsf s LYS 19 Cb -0.12 -3.15 -0.12 0.00 -1.51 0.00 0.00 37.83 32.94 2jsf s LYS 19 CO 0.02 -0.19 1.68 0.08 -0.36 0.00 0.00 175.35 176.58 2jsf s VAL 20 N 1.53 2.01 -0.11 4.02 1.01 -1.26 0.85 120.40 128.45 2jsf s VAL 20 Ca 0.06 0.01 0.14 0.00 0.00 0.00 0.00 61.98 62.19 2jsf s VAL 20 Cb -0.15 -3.01 -0.20 0.00 0.00 0.00 0.00 36.38 33.03 2jsf s VAL 20 CO -0.00 0.00 0.13 0.52 0.00 0.00 0.00 175.10 175.75 2jsf n VAL 21 N 3.32 0.73 -3.67 2.92 0.31 0.47 -4.77 118.33 117.64 2jsf n VAL 21 Ca 0.13 -0.55 -0.10 0.00 -0.01 0.00 0.00 64.34 63.81 2jsf n VAL 21 Cb 0.36 -0.41 -0.09 0.00 -0.91 0.00 0.00 33.84 32.79 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 -2.56 0.60 0.82 5.55 2.20 0.29 -4.93 119.74 121.71 2jsf s LYS 22 Ca -0.07 0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 56.35 2jsf s LYS 22 Cb 0.06 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 2jsf s LYS 22 CO 0.62 -0.13 0.48 -1.91 -0.36 0.00 0.00 175.35 174.05 2jsf n GLU 23 N 3.80 0.06 -1.64 4.03 2.13 -1.26 -2.75 120.64 125.01 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 -1.85 -0.04 0.00 0.27 0.00 0.00 31.44 30.39 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 -2.90 0.52 -3.78 6.31 2.08 -1.25 -4.55 119.36 115.79 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 0.51 -1.29 -0.04 0.00 -0.75 0.00 0.00 39.64 38.07 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 0.28 3.94 -0.09 -1.39 0.00 0.75 -4.78 121.76 120.48 2jsf s ALA 25 Ca 0.74 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2jsf s ALA 25 Cb -0.74 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 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 2.90 0.59 0.00 1.03 -1.26 0.27 118.70 118.16 2jsf s GLU 26 Ca 0.44 -0.75 0.01 0.00 0.03 0.00 0.00 54.97 54.71 2jsf s GLU 26 Cb -0.01 -2.43 0.06 0.00 -0.80 0.00 0.00 34.13 30.95 2jsf s GLU 26 CO 0.25 0.38 0.82 0.95 -1.33 0.00 0.00 175.26 176.34 2jsf s THR 27 N -0.10 2.52 -0.20 1.83 -4.23 0.05 -4.86 115.64 110.65 2jsf s THR 27 Ca -0.03 -0.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 2jsf s THR 27 Cb -0.14 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.15 2jsf s THR 27 CO 0.04 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.51 2jsf n GLN 28 N -2.45 1.55 0.00 3.99 10.64 -1.26 -3.64 117.38 126.22 2jsf n GLN 28 Ca 0.10 -1.30 0.00 0.00 -1.83 0.00 0.00 57.00 53.98 2jsf n GLN 28 Cb 0.60 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 2jsf n GLN 28 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2jsf n HIS 29 N -0.20 0.00 -0.30 2.61 8.25 -1.26 -4.97 115.22 119.35 2jsf n HIS 29 Ca 0.26 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2jsf n HIS 29 Cb 1.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.10 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 -0.13 0.84 3.44 -1.41 0.00 -1.24 -5.07 105.19 101.62 2jsf n GLY 30 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.30 0.00 -4.06 2.61 -2.24 -1.26 -4.10 114.28 102.93 2jsf n THR 31 Ca 0.00 -2.00 -0.11 0.00 -2.27 0.00 0.00 64.05 59.67 2jsf n THR 31 Cb 0.00 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.50 0.42 -0.10 2.28 1.01 0.11 -0.77 121.20 121.65 2jsf s ILE 32 Ca 0.25 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.68 2jsf s ILE 32 Cb -0.02 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 2jsf s ILE 32 CO 0.16 -0.56 -0.21 -0.69 0.00 0.00 0.00 174.94 173.65 2jsf s VAL 33 N -2.03 2.37 -0.21 2.92 1.01 0.77 -0.59 120.40 124.64 2jsf s VAL 33 Ca -0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 2jsf s VAL 33 Cb -0.06 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2jsf s VAL 33 CO -0.02 0.55 -0.10 -0.51 0.00 0.00 0.00 175.10 175.03 2jsf s ILE 34 N 0.25 2.94 -0.30 2.22 -1.16 0.26 0.27 121.20 125.68 2jsf s ILE 34 Ca -0.14 -0.64 -0.09 0.00 -0.51 0.00 0.00 60.65 59.27 2jsf s ILE 34 Cb -0.17 -2.31 -0.00 0.00 0.61 0.00 0.00 42.46 40.59 2jsf s ILE 34 CO 0.07 0.46 0.12 -0.60 -2.81 0.00 0.00 174.94 172.19 2jsf s ARG 35 N 1.39 3.29 0.03 3.50 3.52 -1.11 0.15 118.95 129.72 2jsf s ARG 35 Ca 0.05 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 2jsf s ARG 35 Cb -0.14 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2jsf s ARG 35 CO -0.06 -0.40 0.02 1.33 -0.81 0.00 0.00 175.30 175.37 2jsf n VAL 36 N 4.94 0.00 -4.19 7.11 0.24 0.15 0.18 118.33 126.76 2jsf n VAL 36 Ca -0.14 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.34 61.75 2jsf n VAL 36 Cb 0.49 0.08 -0.17 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.11 1.12 0.07 7.34 0.74 0.25 0.11 119.66 127.18 2jsf s GLN 37 Ca 0.02 -0.18 -0.30 0.00 0.05 0.00 0.00 55.36 54.95 2jsf s GLN 37 Cb 0.00 -1.10 -0.09 0.00 1.10 0.00 0.00 33.01 32.92 2jsf s GLN 37 CO 0.02 -0.10 1.89 -0.47 -0.55 0.00 0.00 175.29 176.07 2jsf s TYR 38 N 1.08 1.72 -0.42 1.67 5.04 -1.26 -1.14 117.35 124.04 2jsf s TYR 38 Ca -0.08 -0.23 0.04 0.00 -2.44 0.00 0.00 57.07 54.36 2jsf s TYR 38 Cb -0.14 -4.20 0.46 0.00 0.35 0.00 0.00 41.96 38.43 2jsf s TYR 38 CO -0.01 -5.17 1.51 0.39 -1.34 0.00 0.00 175.55 170.93 2jsf n GLU 39 N 6.64 3.07 -0.14 4.97 1.02 0.75 -4.10 120.64 132.85 2jsf n GLU 39 Ca 0.19 -3.74 0.00 0.00 -0.02 0.00 0.00 57.16 53.58 2jsf n GLU 39 Cb 0.40 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.84 6.97 2.55 0.62 0.00 -1.15 -1.98 105.19 111.37 2jsf n GLY 40 Ca 0.49 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.34 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 0.86 2.83 0.00 1.61 -4.77 -1.26 -4.87 116.67 111.07 2jsf s ASP 41 Ca 0.00 -2.77 0.00 0.00 -3.30 0.00 0.00 52.55 46.48 2jsf s ASP 41 Cb 0.00 -0.71 0.00 0.00 -1.09 0.00 0.00 42.92 41.12 2jsf s ASP 41 CO 0.00 -0.23 0.31 0.61 0.70 0.00 0.00 175.17 176.56 2jsf n GLY 42 N 3.29 -1.43 7.00 2.12 0.00 -1.26 -4.93 105.19 109.98 2jsf n GLY 42 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.86 -4.51 1.61 2.88 -1.26 -3.96 113.62 107.52 2jsf n SER 43 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2jsf n SER 43 Cb 0.50 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.15 -4.18 -1.46 -0.02 -1.25 -4.58 135.00 123.65 2jsf n PRO 44 Ca 0.00 -0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.29 2jsf n PRO 44 Cb 0.00 -1.68 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 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 -4.04 2.25 -0.19 0.00 1.02 -1.25 -0.26 119.74 117.27 2jsf s LYS 46 Ca 0.37 -0.17 -0.03 0.00 0.02 0.00 0.00 55.97 56.16 2jsf s LYS 46 Cb 0.05 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 2jsf s LYS 46 CO 0.14 -1.23 -0.05 0.42 -0.92 0.00 0.00 175.35 173.70 2jsf s ILE 47 N -3.27 3.49 0.46 2.17 -1.09 0.82 0.28 121.20 124.06 2jsf s ILE 47 Ca 0.60 -0.48 -0.24 0.00 -2.23 0.00 0.00 60.65 58.30 2jsf s ILE 47 Cb -0.11 -2.55 -0.07 0.00 -1.58 0.00 0.00 42.46 38.15 2jsf s ILE 47 CO 0.45 0.46 1.34 -2.84 -1.23 0.00 0.00 174.94 173.13 2jsf s PRO 48 N 0.96 3.63 0.11 2.79 0.02 -1.25 -3.81 135.00 137.45 2jsf s PRO 48 Ca -0.00 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.06 2jsf s PRO 48 Cb -0.15 -2.55 0.04 0.00 0.02 0.00 0.00 34.50 31.86 2jsf s PRO 48 CO 0.01 -0.79 0.45 0.12 -0.33 0.00 0.00 177.00 176.45 2jsf s PHE 49 N -1.28 -0.29 -0.30 6.54 5.36 -1.26 -1.24 117.98 125.51 2jsf s PHE 49 Ca 0.63 0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 56.54 2jsf s PHE 49 Cb -0.40 0.31 0.18 0.00 -0.34 0.00 0.00 43.02 42.78 2jsf s PHE 49 CO 0.50 -0.71 1.02 -2.00 -1.46 0.00 0.00 175.22 172.57 2jsf s GLU 50 N -3.51 0.20 -0.70 10.12 2.56 -0.49 -4.93 118.70 121.95 2jsf s GLU 50 Ca 0.01 0.31 -0.15 0.00 0.00 0.00 0.00 54.97 55.14 2jsf s GLU 50 Cb 0.01 0.17 0.17 0.00 2.00 0.00 0.00 34.13 36.48 2jsf s GLU 50 CO -0.10 -0.26 0.67 0.42 -0.56 0.00 0.00 175.26 175.43 2jsf s ILE 51 N 2.95 5.35 0.13 -3.70 1.01 -1.26 -1.07 121.20 124.61 2jsf s ILE 51 Ca 0.07 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.79 2jsf s ILE 51 Cb -0.08 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 37.95 2jsf s ILE 51 CO -0.15 -1.00 0.00 0.80 0.00 0.00 0.00 174.94 174.60 2jsf n MET 52 N 4.78 0.00 0.00 2.79 1.56 -1.24 -4.53 117.12 120.49 2jsf n MET 52 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 2jsf n MET 52 Cb 0.44 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.81 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 -2.82 0.32 0.47 6.12 -0.08 -1.26 -4.52 116.55 114.77 2jsf n ASP 53 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 2jsf n ASP 53 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 2jsf n ASP 53 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2jsf h LEU 54 N 0.00 -1.18 0.00 -2.67 6.46 -1.99 -3.43 115.31 112.51 2jsf h LEU 54 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2jsf h LEU 54 Cb 0.00 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2jsf h LEU 54 CO 0.00 -0.77 0.00 -0.62 -0.62 0.00 0.00 178.44 176.43 2jsf n GLU 55 N -5.53 0.00 0.00 1.25 1.02 -1.26 -5.13 120.64 110.99 2jsf n GLU 55 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2jsf n GLU 55 Cb 0.51 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 2jsf n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jsf n LYS 56 N -1.72 0.00 0.00 3.49 5.02 -1.26 -4.95 118.16 118.74 2jsf n LYS 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jsf n LYS 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2jsf n LYS 56 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2jsf n ARG 57 N -0.18 0.00 -1.31 1.97 0.63 -1.26 -4.98 116.66 111.53 2jsf n ARG 57 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 2jsf n ARG 57 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 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 0.00 -3.56 -3.18 -0.14 -0.00 -1.26 -4.78 115.22 102.31 2jsf n HIS 58 Ca 0.00 1.94 -0.40 0.00 -0.00 0.00 0.00 57.72 59.26 2jsf n HIS 58 Cb 0.00 -3.11 -0.07 0.00 -0.00 0.00 0.00 29.99 26.81 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 -4.94 5.04 0.05 3.57 -7.23 -1.26 -5.00 120.40 110.63 2jsf s VAL 59 Ca 0.00 1.03 -0.11 0.00 -1.81 0.00 0.00 61.98 61.09 2jsf s VAL 59 Cb 0.00 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 33.06 2jsf s VAL 59 CO 0.00 0.09 0.23 -0.76 -0.31 0.00 0.00 175.10 174.35 2jsf s LEU 60 N 2.17 1.21 0.00 1.32 1.43 -1.26 -5.12 118.68 118.42 2jsf s LEU 60 Ca 0.25 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2jsf s LEU 60 Cb -0.16 1.11 0.00 0.00 0.03 0.00 0.00 46.19 47.17 2jsf s LEU 60 CO 0.09 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.68 2jsf n GLY 61 N 0.54 -2.44 3.19 -3.19 0.00 -1.26 -4.62 105.19 97.42 2jsf n GLY 61 Ca -0.18 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.77 0.93 -0.23 1.61 3.00 0.37 -4.88 118.95 116.97 2jsf s ARG 62 Ca 0.00 -1.40 0.01 0.00 -1.00 0.00 0.00 55.73 53.35 2jsf s ARG 62 Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 34.95 34.76 2jsf s ARG 62 CO 0.00 -0.05 -0.09 -1.17 0.00 0.00 0.00 175.30 174.00 2jsf s LEU 63 N -3.09 2.76 0.33 -0.88 1.98 -1.26 0.25 118.68 118.77 2jsf s LEU 63 Ca 0.16 -1.16 0.13 0.00 -2.89 0.00 0.00 54.13 50.37 2jsf s LEU 63 Cb 0.05 -1.32 0.55 0.00 0.66 0.00 0.00 46.19 46.14 2jsf s LEU 63 CO -0.02 -0.19 1.71 0.40 -1.89 0.00 0.00 176.35 176.36 2jsf h ILE 64 N 6.61 1.27 -0.67 6.68 1.08 0.23 -2.40 117.51 130.31 2jsf h ILE 64 Ca -0.22 -1.71 -0.36 0.00 -0.39 0.00 0.00 64.86 62.19 2jsf h ILE 64 Cb 1.07 1.94 -0.21 0.00 -3.07 0.00 0.00 36.82 36.55 2jsf h ILE 64 CO 0.45 0.48 0.27 0.41 -0.69 0.00 0.00 178.15 179.06 2jsf n THR 65 N -3.85 2.89 0.00 -0.27 -1.04 -0.97 -4.95 114.28 106.10 2jsf n THR 65 Ca -0.01 -2.43 0.00 0.00 -2.04 0.00 0.00 64.05 59.57 2jsf n THR 65 Cb 0.52 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 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 -1.12 0.00 -3.70 12.58 0.31 -0.91 -0.39 118.33 125.10 2jsf n VAL 66 Ca 0.47 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.57 2jsf n VAL 66 Cb 1.31 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.24 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 -5.25 -3.22 4.52 2.85 -1.26 -4.89 115.26 108.01 2jsf n ASN 67 Ca 0.00 -0.86 -0.10 0.00 -0.11 0.00 0.00 54.58 53.51 2jsf n ASN 67 Cb 0.00 -2.23 0.09 0.00 1.24 0.00 0.00 39.78 38.89 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 -2.65 -1.38 -3.86 1.20 -0.04 0.48 -3.65 135.00 125.09 2jsf n PRO 68 Ca -0.26 -0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 62.61 2jsf n PRO 68 Cb 0.66 -0.81 -0.12 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.37 0.03 0.26 0.52 1.01 -1.26 0.29 121.20 120.68 2jsf s ILE 69 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.71 2jsf s ILE 69 Cb -0.04 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 2jsf s ILE 69 CO 0.18 -0.12 0.39 -0.69 0.00 0.00 0.00 174.94 174.71 2jsf s VAL 70 N -0.34 5.00 -0.07 2.92 1.01 0.64 -4.91 120.40 124.65 2jsf s VAL 70 Ca -0.04 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.02 2jsf s VAL 70 Cb -0.03 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2jsf s VAL 70 CO 0.00 -0.30 0.13 0.41 0.00 0.00 0.00 175.10 175.34 2jsf n THR 71 N -1.48 0.00 -1.95 3.92 -1.04 -1.26 -2.36 114.28 110.12 2jsf n THR 71 Ca -0.07 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2jsf n THR 71 Cb 0.57 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 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 -1.49 0.00 -0.29 -2.82 1.02 -1.26 -3.82 120.64 111.98 2jsf n GLU 72 Ca -0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 2jsf n GLU 72 Cb 0.11 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 2jsf n GLU 72 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jsf n LYS 73 N 0.00 0.00 0.00 3.49 4.81 -1.26 -4.56 118.16 120.64 2jsf n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jsf n LYS 73 Cb 0.68 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.94 2jsf n LYS 73 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jsf n ASP 74 N 0.00 0.10 -4.61 3.14 2.03 -1.26 -4.12 116.55 111.83 2jsf n ASP 74 Ca 0.00 -0.91 -0.43 0.00 0.52 0.00 0.00 54.79 53.97 2jsf n ASP 74 Cb 0.00 0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.39 2jsf n ASP 74 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2jsf s SER 75 N -0.01 6.33 -0.02 1.67 0.15 -1.26 -4.65 113.70 115.91 2jsf s SER 75 Ca 0.00 1.21 -0.37 0.00 0.70 0.00 0.00 55.95 57.48 2jsf s SER 75 Cb 0.00 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.62 2jsf s SER 75 CO 0.00 -1.37 1.51 -2.65 1.20 0.00 0.00 173.24 171.93 2jsf n PRO 76 N 7.89 1.31 -4.77 5.44 -0.02 -1.26 -4.31 135.00 139.28 2jsf n PRO 76 Ca 0.18 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 2jsf n PRO 76 Cb 0.47 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.58 3.32 -0.14 -1.45 1.01 0.31 -4.84 120.40 120.19 2jsf s VAL 77 Ca 0.88 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 2jsf s VAL 77 Cb -0.95 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2jsf s VAL 77 CO 0.51 0.58 0.03 0.20 0.00 0.00 0.00 175.10 176.42 2jsf s ASN 78 N -0.81 5.42 -0.19 3.32 0.02 -1.24 0.35 114.94 121.80 2jsf s ASN 78 Ca 0.12 0.09 -0.00 0.00 -1.02 0.00 0.00 52.86 52.05 2jsf s ASN 78 Cb -0.11 -1.79 0.01 0.00 0.02 0.00 0.00 41.25 39.38 2jsf s ASN 78 CO 0.01 0.26 -0.16 -0.63 0.02 0.00 0.00 177.10 176.59 2jsf s ILE 79 N -0.13 2.36 -0.43 0.60 1.01 0.39 -4.78 121.20 120.22 2jsf s ILE 79 Ca 0.06 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 2jsf s ILE 79 Cb -0.12 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.35 2jsf s ILE 79 CO 0.02 0.51 0.55 -0.70 0.00 0.00 0.00 174.94 175.31 2jsf s GLU 80 N 1.33 3.21 0.07 2.79 2.56 -1.24 -0.57 118.70 126.84 2jsf s GLU 80 Ca 0.05 -0.54 0.07 0.00 0.00 0.00 0.00 54.97 54.56 2jsf s GLU 80 Cb -0.13 -3.95 -0.03 0.00 2.00 0.00 0.00 34.13 32.01 2jsf s GLU 80 CO -0.11 -0.93 -0.20 0.00 -0.56 0.00 0.00 175.26 173.46 2jsf s ALA 81 N 2.50 1.72 -0.52 6.30 0.00 0.25 0.22 121.76 132.23 2jsf s ALA 81 Ca 0.18 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 2jsf s ALA 81 Cb -0.15 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 22.79 2jsf s ALA 81 CO 0.16 0.36 0.48 -2.00 0.00 0.00 0.00 175.76 174.77 2jsf s GLU 82 N -1.52 2.99 0.47 0.00 2.12 0.70 0.06 118.70 123.53 2jsf s GLU 82 Ca 0.06 -1.54 -0.24 0.00 0.36 0.00 0.00 54.97 53.60 2jsf s GLU 82 Cb -0.09 -4.24 -0.07 0.00 0.26 0.00 0.00 34.13 29.99 2jsf s GLU 82 CO 0.03 -1.24 1.40 -1.25 -0.54 0.00 0.00 175.26 173.66 2jsf s PRO 83 N 1.71 3.56 0.00 4.30 0.04 -1.26 0.14 135.00 143.48 2jsf s PRO 83 Ca 0.04 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2jsf s PRO 83 Cb -0.27 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.72 2jsf s PRO 83 CO 0.05 -0.90 0.75 -0.35 0.04 0.00 0.00 177.00 176.59 2jsf n PRO 84 N -0.41 0.00 -3.63 0.56 -0.04 -1.26 -4.80 135.00 125.41 2jsf n PRO 84 Ca 0.06 0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 63.94 2jsf n PRO 84 Cb 0.43 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2jsf n PRO 84 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2jsf s PHE 85 N -2.37 -0.07 0.00 0.54 2.19 -1.26 -4.96 117.98 112.04 2jsf s PHE 85 Ca 0.00 0.11 0.00 0.00 0.33 0.00 0.00 56.93 57.37 2jsf s PHE 85 Cb 0.00 0.49 0.00 0.00 -1.31 0.00 0.00 43.02 42.20 2jsf s PHE 85 CO 0.00 -0.07 0.00 0.41 1.83 0.00 0.00 175.22 177.39 2jsf n GLY 86 N 0.47 -0.52 3.73 13.12 0.00 0.03 -4.72 105.19 117.30 2jsf n GLY 86 Ca -0.01 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2jsf n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jsf s ASP 87 N -4.00 6.42 -0.06 1.61 -1.08 -1.26 -1.45 116.67 116.84 2jsf s ASP 87 Ca 0.00 2.85 -0.01 0.00 -0.52 0.00 0.00 52.55 54.88 2jsf s ASP 87 Cb 0.00 -2.61 0.03 0.00 -1.46 0.00 0.00 42.92 38.87 2jsf s ASP 87 CO 0.00 -0.91 -0.01 -0.44 0.52 0.00 0.00 175.17 174.33 2jsf s SER 88 N 0.85 1.37 -0.50 -0.34 0.01 -0.55 -4.91 113.70 109.62 2jsf s SER 88 Ca 0.69 -0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.67 2jsf s SER 88 Cb -0.48 -0.44 0.06 0.00 0.21 0.00 0.00 66.02 65.38 2jsf s SER 88 CO 0.39 -0.15 0.56 -0.31 0.41 0.00 0.00 173.24 174.14 2jsf s TYR 89 N 1.66 3.10 -0.38 2.43 1.51 -1.25 0.12 117.35 124.54 2jsf s TYR 89 Ca 0.00 -0.67 -0.29 0.00 -1.01 0.00 0.00 57.07 55.10 2jsf s TYR 89 Cb -0.13 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.27 2jsf s TYR 89 CO -0.04 -0.97 1.44 0.42 -1.11 0.00 0.00 175.55 175.28 2jsf s ILE 90 N 2.34 3.89 0.06 2.71 1.09 0.70 -3.59 121.20 128.41 2jsf s ILE 90 Ca 0.12 0.93 -0.14 0.00 -1.10 0.00 0.00 60.65 60.45 2jsf s ILE 90 Cb -0.21 -4.13 -0.06 0.00 -1.06 0.00 0.00 42.46 37.00 2jsf s ILE 90 CO 0.10 -0.67 0.47 -0.63 -0.10 0.00 0.00 174.94 174.11 2jsf s ILE 91 N 5.39 4.95 0.00 2.92 1.01 -0.24 -0.55 121.20 134.70 2jsf s ILE 91 Ca 0.63 0.82 0.03 0.00 0.00 0.00 0.00 60.65 62.13 2jsf s ILE 91 Cb -0.15 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2jsf s ILE 91 CO 0.31 0.44 -0.10 -0.63 0.00 0.00 0.00 174.94 174.96 2jsf s ILE 92 N -1.24 0.79 0.00 2.92 1.01 -0.70 -1.40 121.20 122.57 2jsf s ILE 92 Ca 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2jsf s ILE 92 Cb -0.16 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2jsf s ILE 92 CO 0.17 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2jsf n GLY 93 N 2.65 -1.15 3.24 6.18 0.00 -0.37 0.30 105.19 116.03 2jsf n GLY 93 Ca -0.15 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 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 1.23 0.11 1.61 -7.23 -1.26 -4.37 120.40 110.49 2jsf s VAL 94 Ca 0.00 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 2jsf s VAL 94 Cb 0.00 -1.61 0.08 0.00 0.56 0.00 0.00 36.38 35.41 2jsf s VAL 94 CO 0.00 -0.55 0.80 -0.62 -0.31 0.00 0.00 175.10 174.42 2jsf n GLU 95 N 0.29 -0.15 -0.43 4.82 1.02 -1.26 0.30 120.64 125.22 2jsf n GLU 95 Ca -0.14 0.79 0.38 0.00 -0.02 0.00 0.00 57.16 58.17 2jsf n GLU 95 Cb 0.58 -1.17 0.65 0.00 -0.02 0.00 0.00 31.44 31.48 2jsf n GLU 95 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jsf h PRO 96 N 0.00 0.03 0.00 3.49 0.11 -1.90 -3.17 132.00 130.56 2jsf h PRO 96 Ca 0.15 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.08 2jsf h PRO 96 Cb 0.28 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 31.25 2jsf h PRO 96 CO -0.51 0.02 -0.20 0.41 -0.21 0.00 0.00 178.00 177.51 2jsf n GLY 97 N -1.46 0.81 3.90 -0.55 0.00 0.81 -4.93 105.19 103.77 2jsf n GLY 97 Ca 0.39 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 0.15 3.65 0.59 1.61 0.74 0.87 -0.90 119.66 126.37 2jsf s GLN 98 Ca 0.16 -0.02 0.10 0.00 0.05 0.00 0.00 55.36 55.64 2jsf s GLN 98 Cb 0.31 -2.75 0.09 0.00 1.10 0.00 0.00 33.01 31.76 2jsf s GLN 98 CO -0.07 0.36 0.80 -0.51 -0.55 0.00 0.00 175.29 175.32 2jsf s LEU 99 N -3.03 3.01 -0.18 3.68 1.43 0.87 -4.85 118.68 119.61 2jsf s LEU 99 Ca 0.43 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 2jsf s LEU 99 Cb -0.11 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.68 2jsf s LEU 99 CO 0.26 -1.41 0.46 -0.54 0.23 0.00 0.00 176.35 175.35 2jsf s LYS 100 N -4.69 0.50 -0.08 1.70 1.02 -1.26 -1.73 119.74 115.20 2jsf s LYS 100 Ca 0.61 0.73 -0.03 0.00 0.02 0.00 0.00 55.97 57.30 2jsf s LYS 100 Cb -0.05 0.15 0.04 0.00 -0.52 0.00 0.00 37.83 37.45 2jsf s LYS 100 CO 0.39 -0.10 0.08 -0.51 -0.92 0.00 0.00 175.35 174.28 2jsf s LEU 101 N 0.75 0.18 -0.25 3.17 1.02 0.29 -4.90 118.68 118.94 2jsf s LEU 101 Ca -0.04 -0.11 -0.22 0.00 0.02 0.00 0.00 54.13 53.78 2jsf s LEU 101 Cb -0.05 -0.13 -0.01 0.00 0.02 0.00 0.00 46.19 46.01 2jsf s LEU 101 CO -0.05 -0.28 0.71 0.54 0.02 0.00 0.00 176.35 177.28 2jsf s ASN 102 N 2.17 6.68 -0.16 2.29 4.22 -1.26 0.25 114.94 129.14 2jsf s ASN 102 Ca 0.04 0.84 0.01 0.00 -2.14 0.00 0.00 52.86 51.61 2jsf s ASN 102 Cb -0.13 -2.38 0.00 0.00 1.28 0.00 0.00 41.25 40.03 2jsf s ASN 102 CO -0.05 -0.42 -0.17 0.86 -2.04 0.00 0.00 177.10 175.28 2jsf s TRP 103 N 2.59 2.76 -0.06 1.54 -0.11 0.33 -4.89 118.94 121.10 2jsf s TRP 103 Ca 0.30 -1.19 -0.30 0.00 1.22 0.00 0.00 56.10 56.13 2jsf s TRP 103 Cb -0.15 -1.89 -0.04 0.00 -1.50 0.00 0.00 33.47 29.89 2jsf s TRP 103 CO 0.08 -0.56 1.36 -0.06 -4.62 0.00 0.00 176.95 173.15 2jsf s PHE 104 N 0.91 2.80 -0.34 5.86 0.08 -1.26 -1.49 117.98 124.54 2jsf s PHE 104 Ca -0.04 0.86 0.13 0.00 0.12 0.00 0.00 56.93 58.01 2jsf s PHE 104 Cb -0.15 -3.61 0.46 0.00 -0.57 0.00 0.00 43.02 39.15 2jsf s PHE 104 CO -0.02 -2.21 1.05 1.17 -0.10 0.00 0.00 175.22 175.11 2jsf n LYS 105 N 5.90 2.24 -0.05 0.44 3.00 -0.53 -4.89 118.16 124.26 2jsf n LYS 105 Ca 0.13 -3.79 -0.01 0.00 -0.00 0.00 0.00 58.31 54.64 2jsf n LYS 105 Cb 0.44 -1.74 -0.00 0.00 0.00 0.00 0.00 35.03 33.73 2jsf n LYS 105 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2jsf h LYS 106 N 2.71 0.00 0.00 1.64 6.56 -1.91 0.12 116.57 125.69 2jsf h LYS 106 Ca 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2jsf h LYS 106 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2jsf h LYS 106 CO 0.59 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.39 2jsf n GLY 107 N 1.74 0.00 2.42 3.86 0.00 -1.26 -4.75 105.19 107.20 2jsf n GLY 107 Ca -0.02 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.86 0.00 1.61 7.64 -1.26 -5.12 113.62 115.63 2jsf n SER 108 Ca 0.00 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2jsf n SER 108 Cb 0.00 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2jsf n SER 108 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jsf n SER 109 N 1.03 0.00 -3.55 6.43 3.41 -1.26 -4.98 113.62 114.70 2jsf n SER 109 Ca 0.16 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.53 2jsf n SER 109 Cb 0.61 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.61 2jsf n SER 109 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jsf n LEU 110 N 0.00 -3.79 -3.33 1.04 4.77 -1.26 -4.87 117.00 109.56 2jsf n LEU 110 Ca 0.00 -0.89 -0.39 0.00 -0.03 0.00 0.00 56.01 54.70 2jsf n LEU 110 Cb 0.00 -2.70 0.01 0.00 -2.33 0.00 0.00 43.42 38.40 2jsf n LEU 110 CO 0.00 0.34 1.67 -0.62 -1.33 0.00 0.00 177.39 177.45 2jsf n GLU 111 N -3.89 4.37 0.00 3.23 4.71 -1.26 -4.65 120.64 123.15 2jsf n GLU 111 Ca -0.12 -3.94 0.11 0.00 -0.01 0.00 0.00 57.16 53.20 2jsf n GLU 111 Cb 0.61 -2.42 0.56 0.00 -1.01 0.00 0.00 31.44 29.19 2jsf n GLU 111 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2jsf n HIS 112 N 0.28 0.00 0.32 -0.32 -0.00 -1.26 -3.83 115.22 110.41 2jsf n HIS 112 Ca 0.52 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.57 2jsf n HIS 112 Cb 0.28 -0.32 -0.06 0.00 -0.12 0.00 0.00 29.99 29.77 2jsf n HIS 112 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2jsf h HIS 113 N 0.00 -0.76 -1.35 1.57 3.86 -2.00 -3.45 115.15 113.01 2jsf h HIS 113 Ca 0.00 -0.02 -0.37 0.00 -1.16 0.00 0.00 60.37 58.82 2jsf h HIS 113 Cb 0.24 0.25 -0.11 0.00 1.06 0.00 0.00 27.41 28.85 2jsf h HIS 113 CO 0.00 -0.47 -0.37 1.58 0.86 0.00 0.00 177.93 179.52 2jsf n HIS 114 N -4.30 -0.24 -3.33 2.45 -0.00 -1.25 -4.95 115.22 103.59 2jsf n HIS 114 Ca -0.10 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.70 2jsf n HIS 114 Cb 0.32 -3.23 -0.06 0.00 -0.12 0.00 0.00 29.99 26.90 2jsf n HIS 114 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jsf s HIS 115 N -2.74 3.45 0.83 1.57 3.76 -1.26 -5.07 115.29 115.82 2jsf s HIS 115 Ca 0.00 0.79 -0.10 0.00 -0.15 0.00 0.00 55.06 55.60 2jsf s HIS 115 Cb 0.00 -2.56 0.13 0.00 1.11 0.00 0.00 32.58 31.26 2jsf s HIS 115 CO 0.00 0.07 1.16 -1.01 -0.85 0.00 0.00 174.74 174.11 2jsf s HIS 116 N 1.00 2.11 0.00 1.40 3.76 -1.26 -5.25 115.29 117.05 2jsf s HIS 116 Ca 0.24 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 2jsf s HIS 116 Cb -0.15 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 29.97 2jsf s HIS 116 CO 0.09 -2.03 0.00 0.72 -0.85 0.00 0.00 174.74 172.67