#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsf s ASP 2 N 0.00 -0.90 0.00 6.12 -4.77 -1.26 -5.03 116.67 110.83 2jsf s ASP 2 Ca 0.00 1.06 0.08 0.00 -3.30 0.00 0.00 52.55 50.39 2jsf s ASP 2 Cb 0.00 1.95 0.13 0.00 -1.09 0.00 0.00 42.92 43.91 2jsf s ASP 2 CO 0.00 -0.17 0.98 0.29 0.70 0.00 0.00 175.17 176.97 2jsf n LYS 3 N 5.26 0.00 -2.59 2.11 5.02 -1.26 -5.01 118.16 121.69 2jsf n LYS 3 Ca -0.09 -1.16 -0.43 0.00 -2.02 0.00 0.00 58.31 54.62 2jsf n LYS 3 Cb 0.51 -0.19 -0.01 0.00 -0.02 0.00 0.00 35.03 35.32 2jsf n LYS 3 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jsf s LEU 4 N 0.00 3.83 -0.06 -0.35 2.01 -1.26 -4.27 118.68 118.58 2jsf s LEU 4 Ca 0.10 -2.24 0.00 0.00 0.01 0.00 0.00 54.13 52.01 2jsf s LEU 4 Cb 0.12 -2.57 0.01 0.00 0.01 0.00 0.00 46.19 43.76 2jsf s LEU 4 CO -0.05 -1.23 0.61 0.00 1.01 0.00 0.00 176.35 176.69 2jsf n GLN 5 N 8.38 0.04 -0.87 1.70 10.64 -1.26 -5.15 117.38 130.86 2jsf n GLN 5 Ca 0.44 -0.12 0.11 0.00 -1.83 0.00 0.00 57.00 55.60 2jsf n GLN 5 Cb 0.47 0.01 -0.03 0.00 -0.86 0.00 0.00 30.24 29.83 2jsf n GLN 5 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2jsf n LEU 6 N -0.12 -0.42 -0.00 2.61 4.32 -1.26 -3.98 117.00 118.14 2jsf n LEU 6 Ca -0.06 0.94 0.14 0.00 -0.02 0.00 0.00 56.01 57.01 2jsf n LEU 6 Cb 0.53 -2.85 0.62 0.00 -1.62 0.00 0.00 43.42 40.10 2jsf n LEU 6 CO -0.02 -1.98 0.94 0.29 -1.22 0.00 0.00 177.39 175.41 2jsf n LYS 7 N -2.80 0.05 0.09 3.23 5.02 -1.26 -4.77 118.16 117.73 2jsf n LYS 7 Ca -0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2jsf n LYS 7 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.47 -1.38 0.00 0.72 0.00 -1.26 -5.17 105.19 99.58 2jsf n GLY 8 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.05 0.00 -1.68 1.61 1.56 -1.26 -5.11 117.12 109.19 2jsf n MET 9 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 56.99 2jsf n MET 9 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 2jsf n MET 9 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2jsf n SER 10 N 0.00 3.77 0.00 6.12 7.64 -1.26 -4.92 113.62 124.97 2jsf n SER 10 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2jsf n SER 10 Cb 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.71 2jsf n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jsf n TYR 11 N 5.65 0.00 0.00 1.43 9.36 -1.26 -4.94 117.16 127.40 2jsf n TYR 11 Ca 0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.41 2jsf n TYR 11 Cb 0.34 -0.17 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 2jsf n TYR 11 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jsf n SER 12 N -1.70 1.72 -2.69 2.98 2.88 -1.26 -5.00 113.62 110.54 2jsf n SER 12 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2jsf n SER 12 Cb 0.00 0.20 -0.03 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 -0.93 -3.89 -2.28 -1.46 0.00 -1.26 -4.77 117.12 102.54 2jsf n MET 13 Ca 0.00 3.02 -0.42 0.00 -0.00 0.00 0.00 57.70 60.30 2jsf n MET 13 Cb 0.14 -4.88 -0.03 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 4.45 0.00 0.00 0.00 5.66 -1.26 -4.34 114.28 118.79 2jsf n THR 15 Ca 0.12 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2jsf n THR 15 Cb 0.44 1.23 0.00 0.00 -1.55 0.00 0.00 70.33 70.46 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 0.94 -3.04 3.46 1.09 0.00 -1.26 -4.59 105.19 101.79 2jsf n GLY 16 Ca 0.07 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 1.88 -0.02 1.61 3.01 0.39 -4.35 119.74 122.26 2jsf s LYS 17 Ca 0.00 -2.13 0.01 0.00 -1.01 0.00 0.00 55.97 52.84 2jsf s LYS 17 Cb 0.00 -0.38 0.01 0.00 -1.01 0.00 0.00 37.83 36.46 2jsf s LYS 17 CO 0.00 -0.52 -0.03 -0.06 0.51 0.00 0.00 175.35 175.25 2jsf s PHE 18 N -3.29 0.49 -0.26 3.18 0.40 -1.26 0.26 117.98 117.50 2jsf s PHE 18 Ca 0.28 -0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.43 2jsf s PHE 18 Cb 0.03 -0.43 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 2jsf s PHE 18 CO 0.17 -0.10 0.11 0.21 0.70 0.00 0.00 175.22 176.32 2jsf s LYS 19 N 0.52 3.72 0.23 0.44 2.36 0.94 -4.59 119.74 123.36 2jsf s LYS 19 Ca -0.06 -0.45 -0.32 0.00 -2.55 0.00 0.00 55.97 52.60 2jsf s LYS 19 Cb -0.09 -3.44 -0.12 0.00 -1.05 0.00 0.00 37.83 33.13 2jsf s LYS 19 CO -0.00 -0.20 1.69 0.28 1.55 0.00 0.00 175.35 178.67 2jsf n VAL 20 N 4.97 0.22 -0.05 4.02 0.31 -1.26 0.10 118.33 126.65 2jsf n VAL 20 Ca -0.15 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 2jsf n VAL 20 Cb 0.51 -1.97 -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 3.56 0.63 -3.66 2.52 0.31 0.50 -4.78 118.33 117.41 2jsf n VAL 21 Ca 0.14 -0.53 -0.10 0.00 -0.01 0.00 0.00 64.34 63.84 2jsf n VAL 21 Cb 0.35 -0.32 -0.08 0.00 -0.91 0.00 0.00 33.84 32.88 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 -2.65 0.64 0.91 5.55 2.20 0.31 -4.93 119.74 121.76 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 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.58 2jsf s LYS 22 CO 0.63 -0.13 0.44 -1.91 -0.36 0.00 0.00 175.35 174.02 2jsf n GLU 23 N 3.82 -0.18 -1.66 4.03 2.13 -1.26 -2.74 120.64 124.78 2jsf n GLU 23 Ca -0.19 -0.01 -0.46 0.00 0.66 0.00 0.00 57.16 57.17 2jsf n GLU 23 Cb 0.57 -1.86 -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 -3.38 0.48 -3.61 6.31 2.08 -1.25 -4.52 119.36 115.46 2jsf n ILE 24 Ca 0.07 -0.12 -0.21 0.00 0.56 0.00 0.00 62.75 63.05 2jsf n ILE 24 Cb 0.53 -1.44 -0.03 0.00 -0.75 0.00 0.00 39.64 37.95 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 0.39 4.02 -0.09 -1.39 0.00 0.73 -4.76 121.76 120.66 2jsf s ALA 25 Ca 0.74 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2jsf s ALA 25 Cb -0.69 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2jsf s ALA 25 CO 0.44 -0.21 -0.17 -1.83 0.00 0.00 0.00 175.76 174.00 2jsf s GLU 26 N -4.11 2.97 0.60 0.00 1.03 -1.26 0.28 118.70 118.20 2jsf s GLU 26 Ca 0.47 -0.75 0.01 0.00 0.03 0.00 0.00 54.97 54.73 2jsf s GLU 26 Cb -0.03 -2.44 0.06 0.00 -0.80 0.00 0.00 34.13 30.92 2jsf s GLU 26 CO 0.27 0.35 0.84 0.95 -1.33 0.00 0.00 175.26 176.34 2jsf s THR 27 N -0.02 2.50 -0.21 1.83 -4.23 -0.44 -4.87 115.64 110.19 2jsf s THR 27 Ca -0.05 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 2jsf s THR 27 Cb -0.14 -2.84 0.26 0.00 1.34 0.00 0.00 72.50 71.12 2jsf s THR 27 CO 0.04 0.00 1.33 0.00 -0.54 0.00 0.00 174.62 175.45 2jsf n GLN 28 N -2.48 1.56 0.00 3.99 6.02 -1.26 -3.61 117.38 121.61 2jsf n GLN 28 Ca 0.10 -1.17 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 2jsf n GLN 28 Cb 0.60 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.11 0.00 -0.26 1.08 8.25 -1.26 -4.97 115.22 117.96 2jsf n HIS 29 Ca 0.22 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2jsf n HIS 29 Cb 0.93 -0.01 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 -0.13 0.82 1.94 -1.41 0.00 -1.24 -5.07 105.19 100.11 2jsf n GLY 30 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.21 0.00 -4.00 2.61 -2.24 -1.26 -4.10 114.28 103.09 2jsf n THR 31 Ca 0.00 -1.00 -0.08 0.00 -2.27 0.00 0.00 64.05 60.70 2jsf n THR 31 Cb 0.00 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 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 -0.95 0.17 -0.11 2.28 -4.36 0.79 -1.33 121.20 117.69 2jsf s ILE 32 Ca 0.26 -1.39 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 2jsf s ILE 32 Cb -0.02 -1.12 0.01 0.00 1.25 0.00 0.00 42.46 42.58 2jsf s ILE 32 CO 0.17 -0.76 -0.21 -0.69 0.24 0.00 0.00 174.94 173.68 2jsf s VAL 33 N -3.14 1.88 -0.23 8.37 1.01 0.78 -1.08 120.40 127.99 2jsf s VAL 33 Ca -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2jsf s VAL 33 Cb 0.02 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2jsf s VAL 33 CO -0.07 0.52 -0.05 -0.51 0.00 0.00 0.00 175.10 174.99 2jsf s ILE 34 N 0.58 3.22 -0.34 2.22 -1.16 0.10 0.26 121.20 126.08 2jsf s ILE 34 Ca -0.14 -0.62 -0.09 0.00 -0.51 0.00 0.00 60.65 59.29 2jsf s ILE 34 Cb -0.17 -2.50 0.01 0.00 0.61 0.00 0.00 42.46 40.42 2jsf s ILE 34 CO 0.04 0.38 0.15 -0.60 -2.81 0.00 0.00 174.94 172.11 2jsf s ARG 35 N 1.44 3.02 0.00 3.50 3.52 -1.11 0.17 118.95 129.49 2jsf s ARG 35 Ca 0.05 -0.93 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 2jsf s ARG 35 Cb -0.15 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2jsf s ARG 35 CO -0.04 -0.56 0.00 1.33 -0.81 0.00 0.00 175.30 175.22 2jsf n VAL 36 N 4.95 0.00 -3.84 7.11 0.24 0.16 0.19 118.33 127.13 2jsf n VAL 36 Ca -0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 61.99 2jsf n VAL 36 Cb 0.47 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 -1.40 0.22 0.18 7.34 0.74 0.29 0.12 119.66 127.14 2jsf s GLN 37 Ca 0.00 0.15 -0.32 0.00 0.05 0.00 0.00 55.36 55.24 2jsf s GLN 37 Cb 0.00 -0.50 -0.11 0.00 1.10 0.00 0.00 33.01 33.49 2jsf s GLN 37 CO 0.00 -0.19 1.76 -0.47 -0.55 0.00 0.00 175.29 175.84 2jsf s TYR 38 N 1.33 2.64 -0.73 1.67 5.04 -1.25 -0.04 117.35 126.01 2jsf s TYR 38 Ca -0.06 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.81 2jsf s TYR 38 Cb -0.13 -4.15 0.18 0.00 0.35 0.00 0.00 41.96 38.21 2jsf s TYR 38 CO -0.03 -4.50 0.55 -1.21 -1.34 0.00 0.00 175.55 169.02 2jsf s GLU 39 N 1.72 2.68 0.00 4.97 0.41 0.71 -4.17 118.70 125.02 2jsf s GLU 39 Ca 0.77 -3.13 0.00 0.00 -0.41 0.00 0.00 54.97 52.20 2jsf s GLU 39 Cb -0.48 -3.62 0.00 0.00 -1.78 0.00 0.00 34.13 28.24 2jsf s GLU 39 CO 0.34 -1.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.27 2jsf n GLY 40 N 2.42 -0.76 3.13 -1.39 0.00 -1.26 0.15 105.19 107.48 2jsf n GLY 40 Ca 0.17 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 1.77 0.00 1.61 1.11 -1.26 -4.91 116.67 110.99 2jsf s ASP 41 Ca 0.00 -0.30 0.00 0.00 0.18 0.00 0.00 52.55 52.43 2jsf s ASP 41 Cb 0.00 -0.19 0.00 0.00 1.07 0.00 0.00 42.92 43.80 2jsf s ASP 41 CO 0.00 0.17 0.00 0.61 1.18 0.00 0.00 175.17 177.13 2jsf n GLY 42 N 2.59 0.02 7.00 0.21 0.00 -1.26 -4.44 105.19 109.31 2jsf n GLY 42 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.92 -4.51 1.61 2.88 -1.26 -4.14 113.62 106.28 2jsf n SER 43 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 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 0.17 -4.13 -1.46 -0.02 -1.25 -4.55 135.00 123.77 2jsf n PRO 44 Ca 0.00 -0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.28 2jsf n PRO 44 Cb 0.00 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 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 -4.05 0.95 -0.11 0.00 1.02 -1.26 0.54 119.74 116.84 2jsf s LYS 46 Ca 0.25 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.74 2jsf s LYS 46 Cb 0.07 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2jsf s LYS 46 CO 0.03 -2.15 -0.21 0.42 -0.92 0.00 0.00 175.35 172.51 2jsf s ILE 47 N -3.71 1.90 0.45 2.17 -1.09 0.74 -1.35 121.20 120.31 2jsf s ILE 47 Ca 0.72 -0.91 -0.25 0.00 -2.23 0.00 0.00 60.65 57.98 2jsf s ILE 47 Cb -0.05 -1.67 -0.08 0.00 -1.58 0.00 0.00 42.46 39.09 2jsf s ILE 47 CO 0.51 0.52 1.35 -2.84 -1.23 0.00 0.00 174.94 173.25 2jsf s PRO 48 N 0.60 3.68 -0.22 2.79 0.02 -1.26 -3.81 135.00 136.80 2jsf s PRO 48 Ca -0.13 2.25 -0.14 0.00 0.02 0.00 0.00 61.00 62.99 2jsf s PRO 48 Cb -0.17 -2.59 0.07 0.00 0.02 0.00 0.00 34.50 31.83 2jsf s PRO 48 CO 0.04 -0.76 0.55 0.12 -0.33 0.00 0.00 177.00 176.61 2jsf s PHE 49 N -1.27 -0.78 -0.31 6.54 2.19 -1.26 -1.49 117.98 121.61 2jsf s PHE 49 Ca 0.62 1.65 -0.01 0.00 0.33 0.00 0.00 56.93 59.51 2jsf s PHE 49 Cb -0.40 0.39 0.13 0.00 -1.31 0.00 0.00 43.02 41.83 2jsf s PHE 49 CO 0.50 -0.40 0.24 -1.83 1.83 0.00 0.00 175.22 175.56 2jsf s GLU 50 N 1.24 0.34 -1.43 10.12 1.03 0.10 -4.94 118.70 125.16 2jsf s GLU 50 Ca -0.08 -0.49 -0.08 0.00 0.03 0.00 0.00 54.97 54.35 2jsf s GLU 50 Cb -0.06 -0.90 0.05 0.00 -0.80 0.00 0.00 34.13 32.41 2jsf s GLU 50 CO -0.12 -1.07 2.53 -0.89 -1.33 0.00 0.00 175.26 174.38 2jsf n ILE 51 N 5.02 4.74 0.08 1.83 5.41 -1.26 -0.95 119.36 134.22 2jsf n ILE 51 Ca -0.00 -3.65 0.00 0.00 1.00 0.00 0.00 62.75 60.10 2jsf n ILE 51 Cb 0.44 -2.32 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 2jsf n ILE 51 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2jsf n MET 52 N 2.82 0.00 -2.44 0.38 2.81 -1.23 -4.59 117.12 114.87 2jsf n MET 52 Ca 0.66 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.53 2jsf n MET 52 Cb 0.26 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.75 2jsf n MET 52 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2jsf n ASP 53 N -2.99 -6.33 0.00 7.83 -0.08 -1.26 -4.04 116.55 109.68 2jsf n ASP 53 Ca 0.00 1.67 0.00 0.00 -1.51 0.00 0.00 54.79 54.95 2jsf n ASP 53 Cb 0.00 -5.00 0.00 0.00 2.34 0.00 0.00 41.12 38.46 2jsf n ASP 53 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2jsf n LEU 54 N 1.85 0.33 -2.79 -2.67 7.94 -1.26 -4.80 117.00 115.60 2jsf n LEU 54 Ca -0.13 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.66 2jsf n LEU 54 Cb 0.20 -0.51 0.03 0.00 0.53 0.00 0.00 43.42 43.67 2jsf n LEU 54 CO 0.12 -0.16 -0.07 -0.62 -1.11 0.00 0.00 177.39 175.55 2jsf n GLU 55 N -2.00 1.10 -3.30 1.96 1.02 -1.26 -5.06 120.64 113.11 2jsf n GLU 55 Ca 0.00 -3.09 -0.45 0.00 -0.02 0.00 0.00 57.16 53.60 2jsf n GLU 55 Cb 0.00 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 2jsf n GLU 55 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jsf s LYS 56 N -2.52 3.01 0.24 3.49 1.02 -1.26 -4.65 119.74 119.06 2jsf s LYS 56 Ca 0.29 -1.43 0.00 0.00 0.02 0.00 0.00 55.97 54.85 2jsf s LYS 56 Cb 0.42 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 2jsf s LYS 56 CO -0.00 -1.23 0.00 -2.13 -0.92 0.00 0.00 175.35 171.07 2jsf n ARG 57 N 5.47 0.00 0.00 1.68 0.63 -1.26 -5.12 116.66 118.06 2jsf n ARG 57 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2jsf n ARG 57 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 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 -3.02 0.00 -3.36 -0.14 -0.00 -1.26 -5.03 115.22 102.41 2jsf n HIS 58 Ca 0.00 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.73 2jsf n HIS 58 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 2jsf n HIS 58 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jsf s VAL 59 N 1.68 5.04 -0.09 3.57 1.01 -1.26 -5.04 120.40 125.31 2jsf s VAL 59 Ca 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.40 2jsf s VAL 59 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2jsf s VAL 59 CO 0.00 -0.86 -0.21 -0.22 0.00 0.00 0.00 175.10 173.81 2jsf s LEU 60 N 1.47 2.29 0.37 3.92 2.96 -1.26 -5.03 118.68 123.39 2jsf s LEU 60 Ca 0.04 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2jsf s LEU 60 Cb -0.28 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2jsf s LEU 60 CO 0.02 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.85 2jsf n GLY 61 N 3.29 -2.99 3.35 7.98 0.00 -1.26 -4.71 105.19 110.85 2jsf n GLY 61 Ca -0.18 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.64 1.41 -0.21 1.61 3.00 0.27 -4.91 118.95 116.49 2jsf s ARG 62 Ca 0.00 -1.74 -0.00 0.00 -1.00 0.00 0.00 55.73 52.99 2jsf s ARG 62 Cb 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 34.95 34.37 2jsf s ARG 62 CO 0.00 -0.13 -0.03 -1.17 0.00 0.00 0.00 175.30 173.96 2jsf s LEU 63 N -3.35 2.04 0.41 -0.88 1.98 -1.26 0.12 118.68 117.73 2jsf s LEU 63 Ca 0.31 -0.98 0.21 0.00 -2.89 0.00 0.00 54.13 50.78 2jsf s LEU 63 Cb 0.06 -0.99 0.83 0.00 0.66 0.00 0.00 46.19 46.75 2jsf s LEU 63 CO 0.11 -0.24 1.80 0.40 -1.89 0.00 0.00 176.35 176.53 2jsf h ILE 64 N 6.56 0.76 -0.47 6.68 1.08 0.28 -2.51 117.51 129.90 2jsf h ILE 64 Ca -0.19 -1.29 -0.27 0.00 -0.39 0.00 0.00 64.86 62.72 2jsf h ILE 64 Cb 1.09 1.81 -0.16 0.00 -3.07 0.00 0.00 36.82 36.49 2jsf h ILE 64 CO 0.39 0.30 -0.04 0.41 -0.69 0.00 0.00 178.15 178.52 2jsf n THR 65 N -3.52 2.67 0.00 -0.27 -1.04 -0.81 -4.93 114.28 106.37 2jsf n THR 65 Ca -0.00 -2.85 0.00 0.00 -2.04 0.00 0.00 64.05 59.15 2jsf n THR 65 Cb 0.45 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.08 0.00 -3.70 12.58 0.31 -0.95 -0.36 118.33 125.13 2jsf n VAL 66 Ca 0.38 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.48 2jsf n VAL 66 Cb 1.06 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.99 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 -0.87 -0.09 0.00 -0.11 0.00 0.00 54.58 53.51 2jsf n ASN 67 Cb 0.00 -2.29 0.08 0.00 1.24 0.00 0.00 39.78 38.81 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 -2.79 -1.13 -3.88 1.20 -0.04 0.52 -3.60 135.00 125.28 2jsf n PRO 68 Ca -0.25 -0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 62.68 2jsf n PRO 68 Cb 0.65 -0.76 -0.12 0.00 -0.04 0.00 0.00 33.50 33.23 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 -1.31 0.04 0.39 0.52 -1.09 -1.26 0.26 121.20 118.76 2jsf s ILE 69 Ca 0.19 -0.36 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 2jsf s ILE 69 Cb -0.03 -0.22 0.00 0.00 -1.58 0.00 0.00 42.46 40.63 2jsf s ILE 69 CO 0.16 -0.20 0.55 -0.69 -1.23 0.00 0.00 174.94 173.53 2jsf s VAL 70 N -0.61 3.65 0.00 2.92 1.01 0.19 -4.89 120.40 122.67 2jsf s VAL 70 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2jsf s VAL 70 Cb -0.04 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.07 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 -1.81 0.00 -1.44 3.92 -1.04 -1.26 -2.35 114.28 110.30 2jsf n THR 71 Ca 0.03 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2jsf n THR 71 Cb 0.58 0.47 0.01 0.00 -1.82 0.00 0.00 70.33 69.58 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 -1.18 0.21 0.00 -2.82 1.02 -1.26 -3.77 120.64 112.83 2jsf n GLU 72 Ca 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 2jsf n GLU 72 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.10 0.00 0.00 3.49 4.01 -1.26 -4.55 118.16 119.75 2jsf n LYS 73 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2jsf n LYS 73 Cb 0.59 -1.95 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 2jsf n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2jsf n ASP 74 N 0.00 0.41 -4.59 4.39 -0.08 -1.26 -3.84 116.55 111.57 2jsf n ASP 74 Ca 0.00 -0.99 -0.42 0.00 -1.51 0.00 0.00 54.79 51.86 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 6.04 0.09 1.67 0.15 -1.26 -4.65 113.70 115.73 2jsf s SER 75 Ca 0.00 0.89 -0.36 0.00 0.70 0.00 0.00 55.95 57.17 2jsf s SER 75 Cb 0.00 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.61 2jsf s SER 75 CO 0.00 -1.66 1.25 -0.81 1.20 0.00 0.00 173.24 173.22 2jsf n PRO 76 N 8.39 0.97 -4.79 5.44 -0.04 -1.26 -4.46 135.00 139.26 2jsf n PRO 76 Ca 0.19 0.35 -0.30 0.00 -0.04 0.00 0.00 63.50 63.69 2jsf n PRO 76 Cb 0.48 -1.93 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 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 0.26 2.42 -0.13 0.52 1.01 0.34 -4.85 120.40 119.95 2jsf s VAL 77 Ca 0.83 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2jsf s VAL 77 Cb -0.98 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2jsf s VAL 77 CO 0.49 0.35 0.03 0.20 0.00 0.00 0.00 175.10 176.17 2jsf s ASN 78 N -1.34 5.41 -0.20 3.32 0.01 -1.24 0.36 114.94 121.26 2jsf s ASN 78 Ca 0.13 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.39 2jsf s ASN 78 Cb -0.10 -1.75 0.02 0.00 0.41 0.00 0.00 41.25 39.82 2jsf s ASN 78 CO 0.03 0.28 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.11 2jsf s ILE 79 N -0.26 2.33 -0.36 0.60 1.01 0.44 -4.79 121.20 120.18 2jsf s ILE 79 Ca 0.07 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 2jsf s ILE 79 Cb -0.12 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2jsf s ILE 79 CO 0.02 0.46 0.54 -0.70 0.00 0.00 0.00 174.94 175.26 2jsf s GLU 80 N 1.31 3.57 0.07 2.79 2.56 -1.25 -0.73 118.70 127.03 2jsf s GLU 80 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 54.97 54.88 2jsf s GLU 80 Cb -0.14 -3.83 -0.03 0.00 2.00 0.00 0.00 34.13 32.13 2jsf s GLU 80 CO -0.10 -0.71 -0.14 0.00 -0.56 0.00 0.00 175.26 173.75 2jsf s ALA 81 N 2.47 1.15 -0.53 6.30 0.00 -0.24 0.24 121.76 131.16 2jsf s ALA 81 Ca 0.20 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 2jsf s ALA 81 Cb -0.15 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.01 2jsf s ALA 81 CO 0.14 0.14 0.47 -2.00 0.00 0.00 0.00 175.76 174.52 2jsf s GLU 82 N -1.82 2.91 0.43 0.00 2.12 0.31 -0.15 118.70 122.50 2jsf s GLU 82 Ca -0.02 -1.71 -0.24 0.00 0.36 0.00 0.00 54.97 53.36 2jsf s GLU 82 Cb -0.09 -4.23 -0.08 0.00 0.26 0.00 0.00 34.13 29.98 2jsf s GLU 82 CO 0.02 -1.30 1.20 -1.25 -0.54 0.00 0.00 175.26 173.39 2jsf s PRO 83 N 1.56 3.91 0.00 4.30 0.04 -1.26 0.97 135.00 144.53 2jsf s PRO 83 Ca 0.03 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2jsf s PRO 83 Cb -0.29 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2jsf s PRO 83 CO 0.03 -0.46 0.00 -0.35 0.04 0.00 0.00 177.00 176.26 2jsf n PRO 84 N -0.14 -0.01 -3.24 0.56 -0.04 -1.26 -4.88 135.00 125.99 2jsf n PRO 84 Ca 0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 2jsf n PRO 84 Cb 0.46 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.86 2jsf n PRO 84 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2jsf s PHE 85 N -0.38 3.41 0.00 0.54 -0.71 -1.26 -4.64 117.98 114.94 2jsf s PHE 85 Ca 0.00 0.84 0.00 0.00 -1.04 0.00 0.00 56.93 56.73 2jsf s PHE 85 Cb 0.00 -2.67 0.00 0.00 -1.21 0.00 0.00 43.02 39.14 2jsf s PHE 85 CO 0.00 -0.05 0.00 0.41 -1.34 0.00 0.00 175.22 174.24 2jsf n GLY 86 N 3.72 -1.33 3.45 1.99 0.00 -0.40 -4.93 105.19 107.69 2jsf n GLY 86 Ca -0.05 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 2jsf n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jsf n ASP 87 N 0.00 -1.66 -3.65 1.61 5.75 -1.26 -1.48 116.55 115.86 2jsf n ASP 87 Ca 0.00 -0.05 -0.01 0.00 -0.01 0.00 0.00 54.79 54.72 2jsf n ASP 87 Cb 0.00 -1.22 -0.06 0.00 -1.03 0.00 0.00 41.12 38.81 2jsf n ASP 87 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jsf s SER 88 N -2.28 -0.33 -0.50 -1.12 0.01 0.91 -4.80 113.70 105.59 2jsf s SER 88 Ca 0.65 0.54 -0.15 0.00 1.31 0.00 0.00 55.95 58.30 2jsf s SER 88 Cb -0.22 1.13 0.10 0.00 0.21 0.00 0.00 66.02 67.25 2jsf s SER 88 CO 0.65 -0.08 0.43 -0.31 0.41 0.00 0.00 173.24 174.33 2jsf s TYR 89 N 1.22 3.26 -0.31 2.43 2.02 -1.25 0.20 117.35 124.92 2jsf s TYR 89 Ca -0.09 -1.18 -0.29 0.00 -0.37 0.00 0.00 57.07 55.14 2jsf s TYR 89 Cb -0.03 -3.44 -0.00 0.00 -0.40 0.00 0.00 41.96 38.08 2jsf s TYR 89 CO -0.13 -0.91 1.42 0.42 -1.57 0.00 0.00 175.55 174.79 2jsf s ILE 90 N 1.59 3.95 0.07 2.71 1.09 0.64 -3.56 121.20 127.69 2jsf s ILE 90 Ca 0.04 1.04 -0.10 0.00 -1.10 0.00 0.00 60.65 60.53 2jsf s ILE 90 Cb -0.27 -4.05 -0.06 0.00 -1.06 0.00 0.00 42.46 37.03 2jsf s ILE 90 CO 0.04 -0.51 0.40 -0.63 -0.10 0.00 0.00 174.94 174.15 2jsf s ILE 91 N 4.95 5.09 0.00 2.92 1.01 -0.13 -0.17 121.20 134.87 2jsf s ILE 91 Ca 0.62 0.49 0.05 0.00 0.00 0.00 0.00 60.65 61.81 2jsf s ILE 91 Cb -0.18 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2jsf s ILE 91 CO 0.27 0.32 -0.15 -0.63 0.00 0.00 0.00 174.94 174.75 2jsf s ILE 92 N -1.36 1.18 0.00 2.92 1.01 -0.61 -0.72 121.20 123.62 2jsf s ILE 92 Ca 0.32 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2jsf s ILE 92 Cb -0.14 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.32 2jsf s ILE 92 CO 0.17 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2jsf n GLY 93 N 2.53 -1.57 3.32 6.18 0.00 -0.56 0.28 105.19 115.38 2jsf n GLY 93 Ca -0.15 -1.39 -0.27 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 1.95 0.00 1.61 -7.23 -1.26 -4.37 120.40 111.09 2jsf s VAL 94 Ca 0.00 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2jsf s VAL 94 Cb 0.00 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.22 2jsf s VAL 94 CO 0.00 0.10 0.00 -0.62 -0.31 0.00 0.00 175.10 174.27 2jsf n GLU 95 N 1.27 0.00 -0.92 4.82 1.02 -1.26 -0.23 120.64 125.34 2jsf n GLU 95 Ca -0.18 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.77 2jsf n GLU 95 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.88 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 -3.28 0.02 -0.56 3.49 -0.04 -1.26 -1.90 135.00 131.46 2jsf n PRO 96 Ca 0.00 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 2jsf n PRO 96 Cb 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 4.67 0.82 3.23 0.55 0.00 -1.20 -4.63 105.19 108.63 2jsf n GLY 97 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 -0.21 -2.86 1.61 7.27 0.68 -4.29 117.38 117.58 2jsf n GLN 98 Ca 0.00 -0.04 -0.21 0.00 0.07 0.00 0.00 57.00 56.82 2jsf n GLN 98 Cb 0.00 -1.48 0.08 0.00 2.41 0.00 0.00 30.24 31.24 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 2.83 3.09 -0.26 1.69 1.43 0.79 -4.86 118.68 123.40 2jsf s LEU 99 Ca 0.49 -0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 2jsf s LEU 99 Cb -0.19 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2jsf s LEU 99 CO 0.74 -1.50 0.66 -0.75 0.23 0.00 0.00 176.35 175.73 2jsf s LYS 100 N -4.83 0.74 -0.06 1.70 2.20 -1.26 -1.58 119.74 116.66 2jsf s LYS 100 Ca 0.63 1.02 -0.02 0.00 -0.36 0.00 0.00 55.97 57.24 2jsf s LYS 100 Cb -0.06 0.28 0.04 0.00 -1.51 0.00 0.00 37.83 36.58 2jsf s LYS 100 CO 0.41 -0.12 0.10 -0.51 -0.36 0.00 0.00 175.35 174.87 2jsf s LEU 101 N 0.82 0.18 -0.08 5.43 1.02 0.76 -4.91 118.68 121.90 2jsf s LEU 101 Ca -0.04 0.18 -0.23 0.00 0.02 0.00 0.00 54.13 54.07 2jsf s LEU 101 Cb -0.05 0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.17 2jsf s LEU 101 CO -0.07 -0.23 0.67 0.54 0.02 0.00 0.00 176.35 177.28 2jsf s ASN 102 N 2.06 6.93 0.13 2.29 2.20 -1.26 0.23 114.94 127.53 2jsf s ASN 102 Ca 0.02 1.12 0.08 0.00 -0.94 0.00 0.00 52.86 53.14 2jsf s ASN 102 Cb -0.12 -2.39 -0.04 0.00 -2.00 0.00 0.00 41.25 36.70 2jsf s ASN 102 CO -0.04 -0.11 -0.18 0.86 -2.94 0.00 0.00 177.10 174.69 2jsf s TRP 103 N 0.83 1.70 -0.25 1.54 -0.11 0.53 -4.90 118.94 118.30 2jsf s TRP 103 Ca 0.35 -0.46 -0.05 0.00 1.22 0.00 0.00 56.10 57.16 2jsf s TRP 103 Cb -0.17 -0.89 -0.01 0.00 -1.50 0.00 0.00 33.47 30.90 2jsf s TRP 103 CO 0.17 0.24 0.01 -0.06 -4.62 0.00 0.00 176.95 172.69 2jsf s PHE 104 N -1.70 3.04 -0.61 5.86 0.08 -1.26 -0.06 117.98 123.33 2jsf s PHE 104 Ca 0.10 -0.88 0.04 0.00 0.12 0.00 0.00 56.93 56.32 2jsf s PHE 104 Cb -0.07 -2.17 0.35 0.00 -0.57 0.00 0.00 43.02 40.56 2jsf s PHE 104 CO 0.05 -0.52 1.13 1.17 -0.10 0.00 0.00 175.22 176.94 2jsf n LYS 105 N 4.83 3.53 -0.67 0.44 3.00 -0.55 -4.94 118.16 123.80 2jsf n LYS 105 Ca -0.17 -4.72 -0.11 0.00 -0.00 0.00 0.00 58.31 53.31 2jsf n LYS 105 Cb 0.50 -2.27 0.08 0.00 0.00 0.00 0.00 35.03 33.34 2jsf n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jsf n LYS 106 N -0.29 -0.67 0.00 1.64 5.02 -1.26 -1.27 118.16 121.33 2jsf n LYS 106 Ca 0.35 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 2jsf n LYS 106 Cb 0.42 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 2jsf n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jsf n GLY 107 N 1.47 3.56 0.00 0.72 0.00 -1.26 -4.87 105.19 104.81 2jsf n GLY 107 Ca 0.06 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 -0.33 1.61 7.64 -1.26 -4.98 113.62 116.30 2jsf n SER 108 Ca 0.00 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.11 2jsf n SER 108 Cb 0.00 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 63.70 2jsf n SER 108 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jsf h SER 109 N 0.00 0.46 0.00 6.43 0.02 -2.02 -3.43 113.55 115.01 2jsf h SER 109 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2jsf h SER 109 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jsf h SER 109 CO 0.00 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 175.95 2jsf n LEU 110 N -4.66 0.00 -2.26 5.07 4.77 -1.26 -2.21 117.00 116.45 2jsf n LEU 110 Ca 0.26 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 2jsf n LEU 110 Cb 0.88 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.05 2jsf n LEU 110 CO 0.24 0.00 0.50 1.21 -1.33 0.00 0.00 177.39 178.01 2jsf n GLU 111 N 0.00 0.84 -3.15 3.23 2.13 -1.26 -5.10 120.64 117.32 2jsf n GLU 111 Ca 0.00 -0.79 0.05 0.00 0.66 0.00 0.00 57.16 57.08 2jsf n GLU 111 Cb 0.00 0.24 -0.01 0.00 0.27 0.00 0.00 31.44 31.94 2jsf n GLU 111 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2jsf s HIS 112 N 0.08 -1.18 0.25 4.31 2.46 -0.94 -5.17 115.29 115.10 2jsf s HIS 112 Ca 0.06 1.13 -0.19 0.00 0.47 0.00 0.00 55.06 56.53 2jsf s HIS 112 Cb 0.27 0.37 0.07 0.00 -0.13 0.00 0.00 32.58 33.16 2jsf s HIS 112 CO -0.08 -0.66 0.92 -2.39 -2.47 0.00 0.00 174.74 170.07 2jsf n HIS 113 N 5.42 -1.67 -3.04 3.88 1.44 -1.26 -4.96 115.22 115.04 2jsf n HIS 113 Ca -0.01 -1.42 0.01 0.00 -2.01 0.00 0.00 57.72 54.29 2jsf n HIS 113 Cb 0.53 0.70 -0.00 0.00 0.12 0.00 0.00 29.99 31.33 2jsf n HIS 113 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jsf s HIS 114 N -2.29 -1.20 0.00 -1.40 3.76 -1.26 -5.15 115.29 107.74 2jsf s HIS 114 Ca 0.20 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 2jsf s HIS 114 Cb -0.03 0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.88 2jsf s HIS 114 CO 0.07 -0.82 0.00 -2.39 -0.85 0.00 0.00 174.74 170.76 2jsf n HIS 115 N 4.14 -0.01 -3.74 1.40 1.44 -1.26 -5.19 115.22 112.01 2jsf n HIS 115 Ca 0.09 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.74 2jsf n HIS 115 Cb 0.59 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.69 2jsf n HIS 115 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jsf s HIS 116 N -2.11 -0.20 0.00 -1.40 -3.43 -1.26 -5.31 115.29 101.57 2jsf s HIS 116 Ca 0.00 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 2jsf s HIS 116 Cb 0.00 0.65 0.00 0.00 -1.43 0.00 0.00 32.58 31.80 2jsf s HIS 116 CO 0.00 -0.93 0.00 1.58 -2.00 0.00 0.00 174.74 173.39