#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 0.48 -3.58 6.12 8.00 -1.26 -4.13 116.55 122.18 2jsf n ASP 2 Ca 0.00 0.59 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 2jsf n ASP 2 Cb 0.00 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.39 2jsf n ASP 2 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jsf n LYS 3 N -2.00 3.16 -1.00 -1.24 5.02 -1.26 -4.97 118.16 115.87 2jsf n LYS 3 Ca 0.04 -2.46 -0.35 0.00 -2.02 0.00 0.00 58.31 53.51 2jsf n LYS 3 Cb 0.27 -3.11 0.07 0.00 -0.02 0.00 0.00 35.03 32.24 2jsf n LYS 3 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2jsf n LEU 4 N 5.20 -2.50 0.00 -0.35 -0.00 -1.26 -4.94 117.00 113.15 2jsf n LEU 4 Ca 0.62 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 2jsf n LEU 4 Cb 0.33 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 2jsf n LEU 4 CO 0.89 -4.54 0.00 1.67 -0.00 0.00 0.00 177.39 175.41 2jsf n GLN 5 N 0.34 0.00 -3.81 1.47 7.27 -1.26 -5.16 117.38 116.23 2jsf n GLN 5 Ca 0.04 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.80 2jsf n GLN 5 Cb 0.53 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.14 2jsf n GLN 5 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2jsf s LEU 6 N 0.00 4.32 -0.10 1.69 0.20 -1.26 -5.01 118.68 118.52 2jsf s LEU 6 Ca 0.00 0.41 0.06 0.00 0.69 0.00 0.00 54.13 55.29 2jsf s LEU 6 Cb 0.00 -3.12 -0.10 0.00 -0.43 0.00 0.00 46.19 42.54 2jsf s LEU 6 CO 0.00 0.11 -0.00 1.17 -0.29 0.00 0.00 176.35 177.34 2jsf n LYS 7 N 0.18 1.96 -0.11 1.98 4.81 -1.26 -4.47 118.16 121.24 2jsf n LYS 7 Ca -0.04 0.01 0.05 0.00 -0.87 0.00 0.00 58.31 57.47 2jsf n LYS 7 Cb 0.51 -1.23 0.17 0.00 0.02 0.00 0.00 35.03 34.50 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jsf n GLY 8 N 2.56 0.11 1.26 3.14 0.00 -1.26 -5.03 105.19 105.98 2jsf n GLY 8 Ca -0.16 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 0.18 -2.55 -4.27 1.61 2.81 -1.26 -4.97 117.12 108.67 2jsf n MET 9 Ca 0.10 1.78 -0.15 0.00 -1.81 0.00 0.00 57.70 57.62 2jsf n MET 9 Cb 0.22 -3.12 -0.10 0.00 -0.71 0.00 0.00 33.22 29.51 2jsf n MET 9 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2jsf s SER 10 N -6.36 0.83 0.00 7.83 0.01 -1.26 -5.09 113.70 109.66 2jsf s SER 10 Ca 0.00 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2jsf s SER 10 Cb 0.00 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2jsf s SER 10 CO 0.00 -0.75 0.00 0.00 0.41 0.00 0.00 173.24 172.90 2jsf n TYR 11 N -0.37 0.00 -0.66 2.43 4.19 -1.26 -4.89 117.16 116.59 2jsf n TYR 11 Ca -0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2jsf n TYR 11 Cb 0.66 -0.20 0.00 0.00 0.49 0.00 0.00 39.34 40.29 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 -1.88 0.11 -3.00 2.98 2.88 -1.26 -4.91 113.62 108.53 2jsf n SER 12 Ca 0.00 -0.78 -0.15 0.00 -1.33 0.00 0.00 58.87 56.60 2jsf n SER 12 Cb 0.00 0.03 0.02 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.03 -2.28 -1.53 -1.46 0.00 -1.26 -4.59 117.12 105.96 2jsf n MET 13 Ca 0.00 1.97 -0.34 0.00 -0.00 0.00 0.00 57.70 59.33 2jsf n MET 13 Cb 0.17 -4.85 -0.09 0.00 0.00 0.00 0.00 33.22 28.45 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 7.77 0.00 0.00 0.00 -2.24 -1.26 -4.33 114.28 114.22 2jsf n THR 15 Ca 0.49 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 2jsf n THR 15 Cb 0.35 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.47 -3.15 3.33 3.38 0.00 -1.26 -4.54 105.19 104.41 2jsf n GLY 16 Ca 0.07 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 1.57 -0.02 1.61 1.02 0.71 -4.34 119.74 120.29 2jsf s LYS 17 Ca 0.00 -1.89 0.02 0.00 0.02 0.00 0.00 55.97 54.12 2jsf s LYS 17 Cb 0.00 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 2jsf s LYS 17 CO 0.00 -0.43 -0.08 -0.06 -0.92 0.00 0.00 175.35 173.86 2jsf s PHE 18 N -3.63 0.79 -0.23 3.18 0.40 -1.26 0.26 117.98 117.48 2jsf s PHE 18 Ca 0.36 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 2jsf s PHE 18 Cb 0.05 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 43.00 2jsf s PHE 18 CO 0.17 -0.07 0.03 0.21 0.70 0.00 0.00 175.22 176.26 2jsf s LYS 19 N 0.12 3.56 0.23 0.44 2.20 0.19 -4.61 119.74 121.88 2jsf s LYS 19 Ca -0.02 -0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 54.75 2jsf s LYS 19 Cb -0.07 -3.20 -0.12 0.00 -1.51 0.00 0.00 37.83 32.93 2jsf s LYS 19 CO 0.00 -0.17 1.69 0.28 -0.36 0.00 0.00 175.35 176.79 2jsf n VAL 20 N 4.81 0.30 -0.05 4.02 0.31 -1.26 0.11 118.33 126.56 2jsf n VAL 20 Ca -0.17 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.07 2jsf n VAL 20 Cb 0.51 -1.98 -0.12 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 3.43 0.65 -3.66 2.52 0.31 0.57 -4.78 118.33 117.38 2jsf n VAL 21 Ca 0.14 -0.54 -0.10 0.00 -0.01 0.00 0.00 64.34 63.83 2jsf n VAL 21 Cb 0.35 -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 -2.63 0.65 0.94 5.55 2.20 0.33 -4.94 119.74 121.84 2jsf s LYS 22 Ca -0.07 1.01 -0.13 0.00 -0.36 0.00 0.00 55.97 56.42 2jsf s LYS 22 Cb 0.07 0.19 0.03 0.00 -1.51 0.00 0.00 37.83 36.60 2jsf s LYS 22 CO 0.63 -0.13 0.38 -1.91 -0.36 0.00 0.00 175.35 173.96 2jsf n GLU 23 N 3.74 -0.24 -1.68 4.03 4.07 -1.26 -2.73 120.64 126.57 2jsf n GLU 23 Ca -0.18 -0.03 -0.45 0.00 -0.06 0.00 0.00 57.16 56.44 2jsf n GLU 23 Cb 0.57 -1.83 -0.03 0.00 -0.06 0.00 0.00 31.44 30.09 2jsf n GLU 23 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2jsf n ILE 24 N -3.48 0.41 -4.20 6.31 2.08 -1.26 -4.50 119.36 114.72 2jsf n ILE 24 Ca 0.07 -0.10 -0.23 0.00 0.56 0.00 0.00 62.75 63.04 2jsf n ILE 24 Cb 0.53 -1.58 -0.06 0.00 -0.75 0.00 0.00 39.64 37.78 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 0.52 3.35 -0.12 -1.39 0.00 0.71 -4.81 121.76 120.02 2jsf s ALA 25 Ca 0.74 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 2jsf s ALA 25 Cb -0.64 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 2jsf s ALA 25 CO 0.42 0.30 -0.06 -1.83 0.00 0.00 0.00 175.76 174.59 2jsf s GLU 26 N -3.60 3.31 0.56 0.00 1.03 -1.26 0.35 118.70 119.09 2jsf s GLU 26 Ca 0.31 -0.56 0.00 0.00 0.03 0.00 0.00 54.97 54.76 2jsf s GLU 26 Cb -0.08 -2.75 0.03 0.00 -0.80 0.00 0.00 34.13 30.53 2jsf s GLU 26 CO 0.22 0.38 0.80 0.95 -1.33 0.00 0.00 175.26 176.28 2jsf s THR 27 N -0.04 2.73 -0.50 1.83 -4.23 0.17 -4.89 115.64 110.71 2jsf s THR 27 Ca 0.00 -0.59 0.26 0.00 -1.18 0.00 0.00 61.69 60.18 2jsf s THR 27 Cb -0.13 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 70.96 2jsf s THR 27 CO 0.03 -0.03 1.76 0.06 -0.54 0.00 0.00 174.62 175.89 2jsf h GLN 28 N 0.00 0.00 -0.00 3.99 3.07 -2.00 -2.94 115.11 117.23 2jsf h GLN 28 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 2jsf h GLN 28 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 2jsf h GLN 28 CO 0.54 0.00 0.00 0.72 0.09 0.00 0.00 178.83 180.18 2jsf n HIS 29 N -2.51 0.00 -0.31 0.06 8.25 -1.26 -4.83 115.22 114.62 2jsf n HIS 29 Ca 0.04 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2jsf n HIS 29 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 0.98 0.81 4.02 -1.41 0.00 -1.11 -5.07 105.19 103.41 2jsf n GLY 30 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 2jsf n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jsf s THR 31 N -2.12 2.43 0.01 2.61 -4.23 -1.26 -4.64 115.64 108.44 2jsf s THR 31 Ca 0.00 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 2jsf s THR 31 Cb 0.00 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 2jsf s THR 31 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2jsf s ILE 32 N -2.65 1.14 -0.13 2.99 1.01 0.22 0.42 121.20 124.20 2jsf s ILE 32 Ca 0.60 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2jsf s ILE 32 Cb -0.07 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2jsf s ILE 32 CO 0.38 0.22 -0.05 -0.69 0.00 0.00 0.00 174.94 174.80 2jsf s VAL 33 N -0.50 3.81 -0.18 2.92 1.01 1.08 -0.03 120.40 128.52 2jsf s VAL 33 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2jsf s VAL 33 Cb -0.06 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2jsf s VAL 33 CO 0.00 0.52 -0.17 -0.51 0.00 0.00 0.00 175.10 174.94 2jsf s ILE 34 N 0.05 2.34 -0.35 2.22 -1.16 0.25 0.26 121.20 124.80 2jsf s ILE 34 Ca -0.01 -0.85 -0.10 0.00 -0.51 0.00 0.00 60.65 59.18 2jsf s ILE 34 Cb -0.14 -1.99 0.02 0.00 0.61 0.00 0.00 42.46 40.97 2jsf s ILE 34 CO 0.03 0.52 0.17 -0.60 -2.81 0.00 0.00 174.94 172.25 2jsf s ARG 35 N 1.20 2.87 0.00 3.50 3.52 -1.11 0.10 118.95 129.04 2jsf s ARG 35 Ca 0.02 -1.04 0.00 0.00 -0.13 0.00 0.00 55.73 54.59 2jsf s ARG 35 Cb -0.14 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 2jsf s ARG 35 CO -0.08 -0.64 0.00 1.33 -0.81 0.00 0.00 175.30 175.10 2jsf n VAL 36 N 4.95 0.00 -4.01 7.11 0.24 0.11 0.21 118.33 126.93 2jsf n VAL 36 Ca -0.12 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.98 2jsf n VAL 36 Cb 0.46 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.67 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 -1.44 0.59 0.11 7.34 0.74 0.30 0.11 119.66 127.41 2jsf s GLN 37 Ca 0.00 -0.00 -0.31 0.00 0.05 0.00 0.00 55.36 55.10 2jsf s GLN 37 Cb 0.00 -0.72 -0.10 0.00 1.10 0.00 0.00 33.01 33.29 2jsf s GLN 37 CO 0.00 -0.13 1.87 -0.47 -0.55 0.00 0.00 175.29 176.00 2jsf s TYR 38 N 1.12 1.93 -0.65 1.67 5.04 -1.26 -0.64 117.35 124.56 2jsf s TYR 38 Ca -0.08 -0.14 0.02 0.00 -2.44 0.00 0.00 57.07 54.42 2jsf s TYR 38 Cb -0.14 -4.20 0.16 0.00 0.35 0.00 0.00 41.96 38.13 2jsf s TYR 38 CO -0.01 -5.07 0.44 -1.21 -1.34 0.00 0.00 175.55 168.36 2jsf s GLU 39 N 3.15 2.45 0.00 4.97 0.41 0.72 -4.15 118.70 126.25 2jsf s GLU 39 Ca 0.83 -2.89 0.00 0.00 -0.41 0.00 0.00 54.97 52.50 2jsf s GLU 39 Cb -0.45 -3.55 0.00 0.00 -1.78 0.00 0.00 34.13 28.34 2jsf s GLU 39 CO 0.38 -1.19 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 2jsf n GLY 40 N 2.80 -0.57 3.38 -1.39 0.00 -1.26 0.26 105.19 108.40 2jsf n GLY 40 Ca 0.12 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2jsf n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jsf s ASP 41 N -4.00 4.14 0.00 1.61 1.11 -1.26 -4.82 116.67 113.45 2jsf s ASP 41 Ca 0.00 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.42 2jsf s ASP 41 Cb 0.00 -1.65 0.00 0.00 1.07 0.00 0.00 42.92 42.34 2jsf s ASP 41 CO 0.00 0.14 0.00 0.61 1.18 0.00 0.00 175.17 177.10 2jsf n GLY 42 N 3.69 0.04 7.00 0.21 0.00 -1.26 -4.44 105.19 110.43 2jsf n GLY 42 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.66 -4.52 1.61 2.88 -1.26 -3.74 113.62 107.94 2jsf n SER 43 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2jsf n SER 43 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.27 -4.05 -1.46 -0.02 -1.25 -4.50 135.00 123.99 2jsf n PRO 44 Ca 0.00 -0.15 -0.11 0.00 -2.02 0.00 0.00 63.50 61.22 2jsf n PRO 44 Cb 0.00 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 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 -3.66 1.66 -0.11 0.00 1.02 -1.26 0.09 119.74 117.48 2jsf s LYS 46 Ca 0.27 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.59 2jsf s LYS 46 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2jsf s LYS 46 CO 0.13 -1.54 -0.23 0.42 -0.92 0.00 0.00 175.35 173.21 2jsf s ILE 47 N -3.30 2.07 0.46 2.17 -1.09 0.70 -1.53 121.20 120.69 2jsf s ILE 47 Ca 0.66 -1.01 -0.24 0.00 -2.23 0.00 0.00 60.65 57.83 2jsf s ILE 47 Cb -0.07 -1.80 -0.07 0.00 -1.58 0.00 0.00 42.46 38.94 2jsf s ILE 47 CO 0.46 0.56 1.28 -2.84 -1.23 0.00 0.00 174.94 173.17 2jsf s PRO 48 N 0.45 3.67 0.12 2.79 0.02 -1.26 -3.72 135.00 137.07 2jsf s PRO 48 Ca -0.16 2.08 -0.19 0.00 0.02 0.00 0.00 61.00 62.75 2jsf s PRO 48 Cb -0.17 -2.52 0.05 0.00 0.02 0.00 0.00 34.50 31.88 2jsf s PRO 48 CO 0.06 -0.71 0.47 0.12 -0.33 0.00 0.00 177.00 176.61 2jsf s PHE 49 N -1.35 -0.33 -0.30 6.54 5.36 -1.26 -1.32 117.98 125.32 2jsf s PHE 49 Ca 0.63 0.10 -0.16 0.00 -0.96 0.00 0.00 56.93 56.54 2jsf s PHE 49 Cb -0.36 0.35 0.18 0.00 -0.34 0.00 0.00 43.02 42.85 2jsf s PHE 49 CO 0.45 -0.73 1.13 -2.00 -1.46 0.00 0.00 175.22 172.62 2jsf s GLU 50 N -3.54 0.14 -0.43 10.12 2.12 -0.45 -4.93 118.70 121.74 2jsf s GLU 50 Ca 0.01 0.29 -0.08 0.00 0.36 0.00 0.00 54.97 55.55 2jsf s GLU 50 Cb 0.01 0.17 0.09 0.00 0.26 0.00 0.00 34.13 34.66 2jsf s GLU 50 CO -0.10 -0.10 0.27 0.42 -0.54 0.00 0.00 175.26 175.20 2jsf s ILE 51 N 2.63 4.11 0.10 -3.70 1.01 -1.26 0.39 121.20 124.49 2jsf s ILE 51 Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.07 2jsf s ILE 51 Cb -0.07 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2jsf s ILE 51 CO -0.13 -0.58 0.00 0.23 0.00 0.00 0.00 174.94 174.46 2jsf n MET 52 N 4.88 0.00 -3.35 2.79 2.81 -1.25 -4.36 117.12 118.64 2jsf n MET 52 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2jsf n MET 52 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 2jsf n MET 52 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2jsf n ASP 53 N -2.83 0.00 0.00 7.83 9.92 -1.26 -4.51 116.55 125.70 2jsf n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2jsf n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2jsf n ASP 53 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jsf n LEU 54 N 0.00 0.00 -0.04 0.64 4.32 -1.26 -4.35 117.00 116.31 2jsf n LEU 54 Ca 0.00 0.84 -0.03 0.00 -0.02 0.00 0.00 56.01 56.80 2jsf n LEU 54 Cb 0.00 -0.34 -0.01 0.00 -1.62 0.00 0.00 43.42 41.45 2jsf n LEU 54 CO 0.00 -0.34 -0.23 -0.62 -1.22 0.00 0.00 177.39 174.98 2jsf n GLU 55 N -2.14 0.24 0.00 3.23 -0.58 -1.26 -5.03 120.64 115.10 2jsf n GLU 55 Ca 0.00 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2jsf n GLU 55 Cb 0.00 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 2jsf n GLU 55 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jsf n LYS 56 N -3.46 0.00 -0.45 3.49 5.02 -1.26 -5.01 118.16 116.49 2jsf n LYS 56 Ca -0.05 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.29 2jsf n LYS 56 Cb 0.18 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.00 2.95 -2.98 1.97 3.00 -1.26 -4.96 116.66 115.37 2jsf n ARG 57 Ca 0.00 -1.69 -0.01 0.00 -0.00 0.00 0.00 57.85 56.15 2jsf n ARG 57 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 30.64 2jsf n ARG 57 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2jsf n HIS 58 N 0.41 -1.93 0.00 -0.14 8.25 -1.26 -5.02 115.22 115.52 2jsf n HIS 58 Ca 0.15 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 2jsf n HIS 58 Cb 0.70 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 29.37 2jsf n HIS 58 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jsf n VAL 59 N 0.96 0.00 0.00 1.59 0.31 -1.26 -5.11 118.33 114.83 2jsf n VAL 59 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsf n VAL 59 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2jsf n VAL 59 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jsf n LEU 60 N 0.00 0.00 -4.95 7.52 7.94 -1.26 -5.12 117.00 121.13 2jsf n LEU 60 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 2jsf n LEU 60 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2jsf n LEU 60 CO 0.00 0.00 0.09 -0.83 -1.11 0.00 0.00 177.39 175.54 2jsf s GLY 61 N 0.00 2.04 0.30 -3.96 0.00 -1.26 -4.26 107.32 100.18 2jsf s GLY 61 Ca 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 44.72 43.02 2jsf s GLY 61 CO 0.00 -1.61 -0.09 -1.60 0.00 0.00 0.00 173.10 169.81 2jsf s ARG 62 N -4.27 1.66 -0.21 2.90 3.00 -0.95 -4.83 118.95 116.26 2jsf s ARG 62 Ca 0.52 -1.84 -0.01 0.00 -1.00 0.00 0.00 55.73 53.40 2jsf s ARG 62 Cb -0.07 -1.43 0.06 0.00 0.00 0.00 0.00 34.95 33.51 2jsf s ARG 62 CO 0.31 0.11 -0.02 -1.17 0.00 0.00 0.00 175.30 174.53 2jsf s LEU 63 N -3.51 1.87 0.28 -0.88 1.98 -1.26 0.20 118.68 117.35 2jsf s LEU 63 Ca 0.30 -0.96 0.04 0.00 -2.89 0.00 0.00 54.13 50.63 2jsf s LEU 63 Cb 0.02 -0.91 0.39 0.00 0.66 0.00 0.00 46.19 46.36 2jsf s LEU 63 CO 0.14 -0.26 1.67 0.40 -1.89 0.00 0.00 176.35 176.42 2jsf h ILE 64 N 6.56 1.31 -0.96 6.68 1.08 0.64 -2.13 117.51 130.70 2jsf h ILE 64 Ca -0.18 -1.52 -0.52 0.00 -0.39 0.00 0.00 64.86 62.25 2jsf h ILE 64 Cb 1.10 1.64 -0.29 0.00 -3.07 0.00 0.00 36.82 36.19 2jsf h ILE 64 CO 0.38 0.46 0.63 0.41 -0.69 0.00 0.00 178.15 179.34 2jsf n THR 65 N -4.03 3.22 0.00 -0.27 -1.04 -1.08 -4.97 114.28 106.11 2jsf n THR 65 Ca -0.01 -2.12 0.00 0.00 -2.04 0.00 0.00 64.05 59.88 2jsf n THR 65 Cb 0.48 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -3.56 12.58 0.31 -0.80 -0.03 118.33 125.71 2jsf n VAL 66 Ca 0.59 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.74 2jsf n VAL 66 Cb 1.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.44 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 -5.79 -3.33 4.52 2.85 -1.26 -4.90 115.26 107.35 2jsf n ASN 67 Ca 0.00 -0.70 -0.11 0.00 -0.11 0.00 0.00 54.58 53.67 2jsf n ASN 67 Cb 0.00 -2.91 0.10 0.00 1.24 0.00 0.00 39.78 38.21 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 -2.49 -1.05 -3.88 1.20 -0.04 0.96 -3.65 135.00 126.04 2jsf n PRO 68 Ca -0.20 -0.52 -0.11 0.00 -0.04 0.00 0.00 63.50 62.63 2jsf n PRO 68 Cb 0.63 -1.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.58 0.04 0.35 0.52 1.01 -1.26 0.25 121.20 120.54 2jsf s ILE 69 Ca 0.24 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.62 2jsf s ILE 69 Cb -0.04 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2jsf s ILE 69 CO 0.20 -0.18 0.46 -0.69 0.00 0.00 0.00 174.94 174.73 2jsf s VAL 70 N -0.56 3.76 0.00 2.92 1.01 0.11 -4.90 120.40 122.73 2jsf s VAL 70 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2jsf s VAL 70 Cb -0.04 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2jsf s VAL 70 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.10 175.39 2jsf n THR 71 N -1.65 0.00 -1.45 3.92 -1.04 -1.26 -2.35 114.28 110.45 2jsf n THR 71 Ca 0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2jsf n THR 71 Cb 0.59 0.68 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 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 -1.03 0.00 -0.01 -2.82 1.02 -1.26 -3.83 120.64 112.71 2jsf n GLU 72 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 2jsf n GLU 72 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 -4.55 118.16 120.65 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 0.59 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.42 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 0.21 -4.59 3.14 2.03 -1.26 -4.03 116.55 112.05 2jsf n ASP 74 Ca 0.00 -1.00 -0.42 0.00 0.52 0.00 0.00 54.79 53.88 2jsf n ASP 74 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.00 6.06 0.07 1.67 0.15 -1.26 -4.66 113.70 115.72 2jsf s SER 75 Ca 0.00 0.84 -0.37 0.00 0.70 0.00 0.00 55.95 57.11 2jsf s SER 75 Cb 0.00 -2.54 -0.18 0.00 -1.71 0.00 0.00 66.02 61.60 2jsf s SER 75 CO 0.00 -1.65 1.20 -2.65 1.20 0.00 0.00 173.24 171.34 2jsf n PRO 76 N 8.39 0.71 -4.63 5.44 -0.01 -1.26 -4.42 135.00 139.22 2jsf n PRO 76 Ca 0.18 0.26 -0.31 0.00 -0.01 0.00 0.00 63.50 63.62 2jsf n PRO 76 Cb 0.48 -1.82 -0.12 0.00 -0.01 0.00 0.00 33.50 32.03 2jsf n PRO 76 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 2jsf s VAL 77 N 0.20 2.92 -0.14 -1.45 1.01 0.30 -4.85 120.40 118.39 2jsf s VAL 77 Ca 0.85 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2jsf s VAL 77 Cb -1.06 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2jsf s VAL 77 CO 0.51 0.34 0.01 0.20 0.00 0.00 0.00 175.10 176.17 2jsf s ASN 78 N -1.44 5.23 -0.20 3.32 -0.87 -1.23 0.04 114.94 119.79 2jsf s ASN 78 Ca 0.15 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 2jsf s ASN 78 Cb -0.11 -1.75 0.02 0.00 -0.02 0.00 0.00 41.25 39.39 2jsf s ASN 78 CO 0.06 0.24 -0.15 -0.63 -2.57 0.00 0.00 177.10 174.04 2jsf s ILE 79 N -0.05 2.37 -0.43 0.60 1.01 0.28 -4.77 121.20 120.21 2jsf s ILE 79 Ca 0.04 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 2jsf s ILE 79 Cb -0.13 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2jsf s ILE 79 CO 0.02 0.45 0.54 -0.70 0.00 0.00 0.00 174.94 175.24 2jsf s GLU 80 N 1.31 3.17 0.08 2.79 2.56 -1.24 -0.58 118.70 126.80 2jsf s GLU 80 Ca 0.04 -0.60 0.09 0.00 0.00 0.00 0.00 54.97 54.50 2jsf s GLU 80 Cb -0.14 -3.97 -0.04 0.00 2.00 0.00 0.00 34.13 31.99 2jsf s GLU 80 CO -0.10 -0.94 -0.23 0.00 -0.56 0.00 0.00 175.26 173.43 2jsf s ALA 81 N 2.46 2.47 -0.73 6.30 0.00 0.96 0.12 121.76 133.34 2jsf s ALA 81 Ca 0.17 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2jsf s ALA 81 Cb -0.16 -0.55 0.34 0.00 0.00 0.00 0.00 23.12 22.75 2jsf s ALA 81 CO 0.16 0.56 1.31 -1.91 0.00 0.00 0.00 175.76 175.88 2jsf n GLU 82 N 1.27 3.97 -1.23 0.00 2.13 0.52 0.70 120.64 127.99 2jsf n GLU 82 Ca -0.17 -4.70 -0.30 0.00 0.66 0.00 0.00 57.16 52.64 2jsf n GLU 82 Cb 0.52 -2.32 0.11 0.00 0.27 0.00 0.00 31.44 30.03 2jsf n GLU 82 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2jsf s PRO 83 N -3.80 1.85 0.00 5.31 0.04 -1.26 -2.24 135.00 134.90 2jsf s PRO 83 Ca 0.46 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2jsf s PRO 83 Cb 0.27 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2jsf s PRO 83 CO -0.16 -1.89 0.00 -2.30 0.04 0.00 0.00 177.00 172.70 2jsf n PRO 84 N -3.67 2.48 -4.13 0.56 -0.02 -1.26 -4.87 135.00 124.09 2jsf n PRO 84 Ca 0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.41 2jsf n PRO 84 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.96 2jsf n PRO 84 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jsf s PHE 85 N 0.00 1.15 0.00 6.00 0.08 -1.26 -4.68 117.98 119.27 2jsf s PHE 85 Ca 0.00 -1.33 0.00 0.00 0.12 0.00 0.00 56.93 55.72 2jsf s PHE 85 Cb 0.00 -0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.21 2jsf s PHE 85 CO 0.00 -1.01 0.00 0.41 -0.10 0.00 0.00 175.22 174.52 2jsf n GLY 86 N -0.53 2.08 3.38 4.36 0.00 0.15 -4.78 105.19 109.85 2jsf n GLY 86 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.53 0.00 1.61 2.15 -1.26 0.24 116.67 114.89 2jsf s ASP 87 Ca 0.00 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.70 2jsf s ASP 87 Cb 0.00 1.60 0.00 0.00 -0.30 0.00 0.00 42.92 44.22 2jsf s ASP 87 CO 0.00 -0.10 0.00 -0.24 -0.17 0.00 0.00 175.17 174.66 2jsf n SER 88 N 4.95 0.00 -3.28 -0.34 2.88 -0.82 -4.85 113.62 112.16 2jsf n SER 88 Ca -0.09 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.43 2jsf n SER 88 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 2jsf n SER 88 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2jsf s TYR 89 N -1.64 -1.24 0.16 0.66 2.02 -1.25 -1.60 117.35 114.45 2jsf s TYR 89 Ca 0.00 1.38 -0.30 0.00 -0.37 0.00 0.00 57.07 57.78 2jsf s TYR 89 Cb 0.00 0.34 -0.07 0.00 -0.40 0.00 0.00 41.96 41.83 2jsf s TYR 89 CO 0.00 -0.79 1.17 0.42 -1.57 0.00 0.00 175.55 174.79 2jsf s ILE 90 N 2.72 3.74 0.01 2.71 1.01 0.70 -3.85 121.20 128.24 2jsf s ILE 90 Ca 0.15 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.23 2jsf s ILE 90 Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2jsf s ILE 90 CO -0.18 0.21 0.04 -0.63 0.00 0.00 0.00 174.94 174.37 2jsf s ILE 91 N 0.14 4.39 -0.01 2.92 1.01 0.16 0.77 121.20 130.58 2jsf s ILE 91 Ca 0.53 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2jsf s ILE 91 Cb -0.31 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 2jsf s ILE 91 CO 0.35 0.33 -0.09 -0.63 0.00 0.00 0.00 174.94 174.90 2jsf s ILE 92 N -1.16 0.74 0.00 2.92 1.01 -0.62 -1.34 121.20 122.74 2jsf s ILE 92 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2jsf s ILE 92 Cb -0.12 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.73 2jsf s ILE 92 CO 0.13 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2jsf n GLY 93 N 2.94 -1.51 3.31 6.18 0.00 -0.44 0.28 105.19 115.96 2jsf n GLY 93 Ca -0.14 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 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 1.85 0.00 1.61 -7.23 -1.26 -4.34 120.40 111.03 2jsf s VAL 94 Ca 0.00 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2jsf s VAL 94 Cb 0.00 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2jsf s VAL 94 CO 0.00 -0.03 0.00 -0.62 -0.31 0.00 0.00 175.10 174.14 2jsf n GLU 95 N 1.03 0.00 -0.73 4.82 4.71 -1.26 0.24 120.64 129.45 2jsf n GLU 95 Ca -0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.68 2jsf n GLU 95 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.89 2jsf n GLU 95 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2jsf n PRO 96 N -3.82 0.01 -0.46 3.49 -0.04 -1.26 -2.12 135.00 130.79 2jsf n PRO 96 Ca 0.00 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 2jsf n PRO 96 Cb 0.00 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 4.58 0.75 3.37 0.55 0.00 -1.17 -4.62 105.19 108.65 2jsf n GLY 97 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.24 -0.37 -2.90 1.61 7.27 0.14 -4.19 117.38 116.71 2jsf n GLN 98 Ca 0.00 -0.07 -0.21 0.00 0.07 0.00 0.00 57.00 56.79 2jsf n GLN 98 Cb 0.00 -1.78 0.07 0.00 2.41 0.00 0.00 30.24 30.94 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 -0.42 3.12 -0.23 1.69 1.43 0.82 -4.87 118.68 120.22 2jsf s LEU 99 Ca 0.55 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.75 2jsf s LEU 99 Cb -0.20 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.24 2jsf s LEU 99 CO 0.68 -1.44 0.68 -0.54 0.23 0.00 0.00 176.35 175.97 2jsf s LYS 100 N -4.78 0.83 -0.05 1.70 1.02 -1.25 -1.60 119.74 115.61 2jsf s LYS 100 Ca 0.62 0.86 -0.02 0.00 0.02 0.00 0.00 55.97 57.45 2jsf s LYS 100 Cb -0.06 0.40 0.04 0.00 -0.52 0.00 0.00 37.83 37.69 2jsf s LYS 100 CO 0.40 -0.13 0.09 -0.51 -0.92 0.00 0.00 175.35 174.28 2jsf s LEU 101 N 0.15 0.14 0.11 3.17 1.02 0.23 -4.89 118.68 118.62 2jsf s LEU 101 Ca -0.02 0.16 -0.31 0.00 0.02 0.00 0.00 54.13 53.99 2jsf s LEU 101 Cb -0.04 0.00 -0.07 0.00 0.02 0.00 0.00 46.19 46.10 2jsf s LEU 101 CO 0.02 -0.24 1.26 0.21 0.02 0.00 0.00 176.35 177.62 2jsf s ASN 102 N 2.12 6.99 0.00 2.29 2.47 -1.26 0.25 114.94 127.81 2jsf s ASN 102 Ca 0.03 2.17 0.00 0.00 0.42 0.00 0.00 52.86 55.48 2jsf s ASN 102 Cb -0.12 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2jsf s ASN 102 CO -0.04 -0.51 0.00 1.87 -3.72 0.00 0.00 177.10 174.70 2jsf n TRP 103 N 3.59 0.00 0.00 0.43 -0.00 -0.63 -4.87 117.44 115.96 2jsf n TRP 103 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 2jsf n TRP 103 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 2jsf n TRP 103 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2jsf n PHE 104 N 0.00 0.00 -1.26 5.87 3.01 -1.26 -1.94 117.46 121.88 2jsf n PHE 104 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 2jsf n PHE 104 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 2jsf n PHE 104 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2jsf n LYS 105 N 0.00 -2.72 -4.09 -1.08 5.02 0.67 -3.48 118.16 112.48 2jsf n LYS 105 Ca 0.00 2.02 -0.23 0.00 -2.02 0.00 0.00 58.31 58.08 2jsf n LYS 105 Cb 0.00 -3.24 -0.17 0.00 -0.02 0.00 0.00 35.03 31.60 2jsf n LYS 105 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jsf s LYS 106 N -3.05 1.08 -0.47 1.97 1.02 -1.13 0.30 119.74 119.46 2jsf s LYS 106 Ca 0.00 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 55.90 2jsf s LYS 106 Cb 0.00 -1.13 0.19 0.00 -0.52 0.00 0.00 37.83 36.37 2jsf s LYS 106 CO 0.00 -0.15 0.74 0.20 -0.92 0.00 0.00 175.35 175.22 2jsf s GLY 107 N 1.29 -1.32 0.12 -3.33 0.00 -1.26 -5.07 107.32 97.74 2jsf s GLY 107 Ca -0.04 -0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.27 2jsf s GLY 107 CO -0.02 3.74 1.46 -1.35 0.00 0.00 0.00 173.10 176.93 2jsf s SER 108 N 1.20 6.74 0.00 1.64 1.04 -1.26 -4.88 113.70 118.18 2jsf s SER 108 Ca 0.25 2.42 0.00 0.00 0.48 0.00 0.00 55.95 59.10 2jsf s SER 108 Cb -0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2jsf s SER 108 CO -0.06 -0.73 0.00 -1.20 0.98 0.00 0.00 173.24 172.23 2jsf n SER 109 N 4.15 4.32 -2.23 7.02 7.64 -1.26 -4.82 113.62 128.44 2jsf n SER 109 Ca 0.13 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.97 2jsf n SER 109 Cb 0.41 0.17 0.05 0.00 -1.01 0.00 0.00 64.21 63.83 2jsf n SER 109 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jsf n LEU 110 N -2.32 2.29 -3.65 -3.43 0.00 -1.26 -5.03 117.00 103.61 2jsf n LEU 110 Ca 0.00 -3.28 -0.24 0.00 0.00 0.00 0.00 56.01 52.50 2jsf n LEU 110 Cb 0.50 0.13 -0.17 0.00 0.00 0.00 0.00 43.42 43.87 2jsf n LEU 110 CO 0.00 1.20 -0.34 -0.70 0.00 0.00 0.00 177.39 177.55 2jsf s GLU 111 N -3.00 0.07 0.00 1.96 2.12 -1.26 -4.97 118.70 113.62 2jsf s GLU 111 Ca 0.34 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.76 2jsf s GLU 111 Cb 0.36 -1.29 0.00 0.00 0.26 0.00 0.00 34.13 33.46 2jsf s GLU 111 CO -0.05 -0.52 0.81 0.72 -0.54 0.00 0.00 175.26 175.68 2jsf n HIS 112 N 5.27 0.00 -4.26 5.30 8.25 -1.26 -4.95 115.22 123.56 2jsf n HIS 112 Ca -0.06 -0.33 -0.19 0.00 -0.26 0.00 0.00 57.72 56.89 2jsf n HIS 112 Cb 0.49 0.41 -0.08 0.00 1.12 0.00 0.00 29.99 31.94 2jsf n HIS 112 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jsf s HIS 113 N 0.00 1.69 -0.02 4.41 -3.43 -1.26 -5.17 115.29 111.51 2jsf s HIS 113 Ca 0.00 -1.63 0.03 0.00 -0.80 0.00 0.00 55.06 52.66 2jsf s HIS 113 Cb 0.00 -0.65 0.00 0.00 -1.43 0.00 0.00 32.58 30.50 2jsf s HIS 113 CO 0.00 -0.90 -0.09 -1.01 -2.00 0.00 0.00 174.74 170.74 2jsf s HIS 114 N -3.41 0.92 0.27 0.38 3.76 -1.26 -5.14 115.29 110.82 2jsf s HIS 114 Ca 0.40 -0.22 -0.02 0.00 -0.15 0.00 0.00 55.06 55.07 2jsf s HIS 114 Cb 0.02 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 2jsf s HIS 114 CO 0.27 -0.08 0.50 -1.01 -0.85 0.00 0.00 174.74 173.57 2jsf s HIS 115 N 0.11 3.48 0.29 1.40 3.76 -1.26 -4.95 115.29 118.12 2jsf s HIS 115 Ca -0.02 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 2jsf s HIS 115 Cb -0.07 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.64 2jsf s HIS 115 CO 0.00 0.22 0.00 1.58 -0.85 0.00 0.00 174.74 175.70 2jsf n HIS 116 N -1.04 -3.41 1.94 1.40 -0.00 -1.26 -5.34 115.22 107.51 2jsf n HIS 116 Ca -0.03 1.54 0.15 0.00 -0.00 0.00 0.00 57.72 59.39 2jsf n HIS 116 Cb 0.54 -2.84 0.92 0.00 -0.00 0.00 0.00 29.99 28.61 2jsf n HIS 116 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06