#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 3.03 0.00 6.12 1.01 -1.26 -5.08 116.67 120.49 2jsf s ASP 2 Ca 0.00 -2.12 0.00 0.00 0.71 0.00 0.00 52.55 51.14 2jsf s ASP 2 Cb 0.00 -0.40 0.00 0.00 1.01 0.00 0.00 42.92 43.53 2jsf s ASP 2 CO 0.00 -0.32 0.00 0.29 0.21 0.00 0.00 175.17 175.35 2jsf n LYS 3 N 4.14 0.00 -3.60 8.23 5.02 -1.26 -5.18 118.16 125.51 2jsf n LYS 3 Ca 0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 2jsf n LYS 3 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.34 2jsf n LYS 3 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2jsf s LEU 4 N 0.00 -0.27 0.00 -0.35 0.20 -1.26 -5.10 118.68 111.90 2jsf s LEU 4 Ca 0.00 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.11 2jsf s LEU 4 Cb 0.00 1.64 0.00 0.00 -0.43 0.00 0.00 46.19 47.40 2jsf s LEU 4 CO 0.00 -0.26 0.00 0.00 -0.29 0.00 0.00 176.35 175.80 2jsf n GLN 5 N 0.65 0.00 0.00 1.98 0.00 -1.26 -5.03 117.38 113.72 2jsf n GLN 5 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.93 2jsf n GLN 5 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2jsf n LEU 6 N 0.00 0.00 -4.06 2.61 7.94 -1.26 -5.03 117.00 117.20 2jsf n LEU 6 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 2jsf n LEU 6 Cb 0.00 0.12 -0.03 0.00 0.53 0.00 0.00 43.42 44.04 2jsf n LEU 6 CO 0.00 -0.12 -0.19 0.29 -1.11 0.00 0.00 177.39 176.26 2jsf n LYS 7 N -1.60 -3.11 -0.31 1.96 5.02 -1.26 -4.79 118.16 114.08 2jsf n LYS 7 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2jsf n LYS 7 Cb 0.00 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 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 -1.87 -0.00 1.40 0.72 0.00 -1.26 -5.14 105.19 99.03 2jsf n GLY 8 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.15 -2.82 1.61 2.81 -1.26 -4.97 117.12 111.34 2jsf n MET 9 Ca 0.00 0.75 -0.07 0.00 -1.81 0.00 0.00 57.70 56.57 2jsf n MET 9 Cb 0.57 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.65 2jsf n MET 9 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2jsf n SER 10 N -4.31 -0.23 0.00 7.83 3.41 -1.26 -4.98 113.62 114.08 2jsf n SER 10 Ca 0.00 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 2jsf n SER 10 Cb 0.26 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 2jsf n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jsf n TYR 11 N -0.23 -0.25 -0.96 7.33 4.19 -1.26 -5.02 117.16 120.96 2jsf n TYR 11 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 2jsf n TYR 11 Cb 0.22 0.29 0.00 0.00 0.49 0.00 0.00 39.34 40.34 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 0.05 -3.23 2.98 2.88 -1.26 -4.94 113.62 108.22 2jsf n SER 12 Ca 0.00 -1.01 -0.21 0.00 -1.33 0.00 0.00 58.87 56.33 2jsf n SER 12 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2jsf n SER 12 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2jsf n MET 13 N -0.00 -1.80 -1.53 -1.46 2.81 -1.26 -4.52 117.12 109.37 2jsf n MET 13 Ca 0.00 1.55 -0.40 0.00 -1.81 0.00 0.00 57.70 57.04 2jsf n MET 13 Cb 0.29 -2.83 -0.06 0.00 -0.71 0.00 0.00 33.22 29.90 2jsf n MET 13 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jsf n THR 15 N 7.75 0.00 0.00 0.00 -2.24 -1.26 -4.42 114.28 114.10 2jsf n THR 15 Ca 0.44 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2jsf n THR 15 Cb 0.37 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.43 -3.06 3.06 3.38 0.00 -1.26 -4.64 105.19 104.09 2jsf n GLY 16 Ca 0.09 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 2jsf n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jsf n LYS 17 N 0.00 0.51 -4.02 1.61 4.81 0.68 -4.36 118.16 117.40 2jsf n LYS 17 Ca 0.00 -3.16 -0.13 0.00 -0.87 0.00 0.00 58.31 54.15 2jsf n LYS 17 Cb 0.00 2.06 -0.13 0.00 0.02 0.00 0.00 35.03 36.97 2jsf n LYS 17 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2jsf s PHE 18 N -3.09 0.29 -0.25 5.64 0.08 -1.26 0.27 117.98 119.67 2jsf s PHE 18 Ca 0.26 -0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.10 2jsf s PHE 18 Cb 0.01 -0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.27 2jsf s PHE 18 CO 0.19 -0.04 0.01 0.21 -0.10 0.00 0.00 175.22 175.48 2jsf s LYS 19 N -0.44 3.27 0.10 0.44 2.20 0.48 -4.60 119.74 121.20 2jsf s LYS 19 Ca -0.03 -0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 54.56 2jsf s LYS 19 Cb -0.03 -3.16 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 2jsf s LYS 19 CO -0.00 -0.29 1.86 0.28 -0.36 0.00 0.00 175.35 176.84 2jsf n VAL 20 N 4.82 0.44 -0.04 4.02 0.31 -1.26 0.61 118.33 127.23 2jsf n VAL 20 Ca -0.17 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.05 2jsf n VAL 20 Cb 0.50 -2.15 -0.14 0.00 -0.91 0.00 0.00 33.84 31.14 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 4.85 1.11 -3.69 2.52 0.31 0.64 -4.81 118.33 119.26 2jsf n VAL 21 Ca 0.18 -0.74 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 2jsf n VAL 21 Cb 0.38 -0.52 -0.09 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.80 0.58 0.89 5.55 2.47 0.99 -4.93 119.74 122.48 2jsf s LYS 22 Ca -0.07 0.76 -0.12 0.00 -1.56 0.00 0.00 55.97 54.97 2jsf s LYS 22 Cb 0.08 0.24 0.08 0.00 -1.46 0.00 0.00 37.83 36.77 2jsf s LYS 22 CO 0.84 -0.09 0.85 -1.91 0.16 0.00 0.00 175.35 175.20 2jsf n GLU 23 N 3.09 -0.18 -1.67 4.03 4.07 -1.26 -2.74 120.64 125.97 2jsf n GLU 23 Ca -0.15 0.01 -0.46 0.00 -0.06 0.00 0.00 57.16 56.50 2jsf n GLU 23 Cb 0.56 -2.16 -0.04 0.00 -0.06 0.00 0.00 31.44 29.74 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 -3.63 0.13 -3.77 6.31 2.08 -1.25 -4.53 119.36 114.69 2jsf n ILE 24 Ca 0.10 -0.03 -0.22 0.00 0.56 0.00 0.00 62.75 63.16 2jsf n ILE 24 Cb 0.52 -1.54 -0.04 0.00 -0.75 0.00 0.00 39.64 37.83 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 0.78 3.88 -0.09 -1.39 0.00 0.72 -4.79 121.76 120.87 2jsf s ALA 25 Ca 0.77 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2jsf s ALA 25 Cb -0.67 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2jsf s ALA 25 CO 0.39 -0.15 -0.13 -1.83 0.00 0.00 0.00 175.76 174.04 2jsf s GLU 26 N -4.04 2.96 0.21 0.00 -1.05 -1.26 0.28 118.70 115.80 2jsf s GLU 26 Ca 0.45 -0.68 -0.01 0.00 -0.15 0.00 0.00 54.97 54.58 2jsf s GLU 26 Cb -0.02 -2.52 0.04 0.00 -0.44 0.00 0.00 34.13 31.19 2jsf s GLU 26 CO 0.26 0.42 0.29 0.25 0.95 0.00 0.00 175.26 177.43 2jsf n THR 27 N 2.92 0.00 0.72 1.83 -2.24 -0.49 -4.85 114.28 112.17 2jsf n THR 27 Ca -0.18 -0.41 0.11 0.00 -2.27 0.00 0.00 64.05 61.31 2jsf n THR 27 Cb 0.52 -1.34 0.27 0.00 -2.10 0.00 0.00 70.33 67.68 2jsf n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jsf n GLN 28 N -1.55 2.20 -0.17 -0.78 6.02 -1.26 -3.97 117.38 117.86 2jsf n GLN 28 Ca 0.05 -1.80 0.08 0.00 -0.01 0.00 0.00 57.00 55.31 2jsf n GLN 28 Cb 0.16 -1.47 0.17 0.00 1.02 0.00 0.00 30.24 30.13 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 1.03 0.45 -0.32 1.08 8.25 -1.26 -4.92 115.22 119.54 2jsf n HIS 29 Ca 0.18 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2jsf n HIS 29 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 0.94 0.80 0.78 -1.41 0.00 -1.26 -5.06 105.19 99.98 2jsf n GLY 30 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.25 0.00 -3.90 2.61 -2.24 -1.26 -4.26 114.28 102.98 2jsf n THR 31 Ca 0.00 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.31 2jsf n THR 31 Cb 0.00 -1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 67.09 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 0.04 0.07 -0.10 2.28 -4.36 0.67 -1.39 121.20 118.41 2jsf s ILE 32 Ca 0.13 -0.57 -0.00 0.00 -0.26 0.00 0.00 60.65 59.95 2jsf s ILE 32 Cb -0.01 -0.30 -0.02 0.00 1.25 0.00 0.00 42.46 43.38 2jsf s ILE 32 CO 0.08 -0.31 -0.09 -0.69 0.24 0.00 0.00 174.94 174.17 2jsf s VAL 33 N -1.01 3.48 -0.18 8.37 1.01 0.79 -1.12 120.40 131.73 2jsf s VAL 33 Ca -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2jsf s VAL 33 Cb -0.06 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.89 2jsf s VAL 33 CO 0.00 0.55 -0.18 -0.51 0.00 0.00 0.00 175.10 174.97 2jsf s ILE 34 N -0.20 1.97 -0.26 2.22 -1.16 0.03 0.26 121.20 124.07 2jsf s ILE 34 Ca 0.02 -0.96 -0.11 0.00 -0.51 0.00 0.00 60.65 59.09 2jsf s ILE 34 Cb -0.13 -1.83 -0.05 0.00 0.61 0.00 0.00 42.46 41.06 2jsf s ILE 34 CO 0.03 0.45 0.17 -0.60 -2.81 0.00 0.00 174.94 172.18 2jsf s ARG 35 N 1.31 4.02 0.08 3.50 3.52 -1.11 0.49 118.95 130.76 2jsf s ARG 35 Ca 0.03 -0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 55.23 2jsf s ARG 35 Cb -0.14 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 2jsf s ARG 35 CO -0.12 -0.04 0.26 0.14 -0.81 0.00 0.00 175.30 174.74 2jsf s VAL 36 N 1.34 0.11 -0.19 7.11 -7.23 0.12 0.23 120.40 121.90 2jsf s VAL 36 Ca 0.07 -0.92 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 2jsf s VAL 36 Cb -0.15 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2jsf s VAL 36 CO 0.07 -0.51 0.01 -1.58 -0.31 0.00 0.00 175.10 172.78 2jsf s GLN 37 N -3.47 3.70 0.12 4.82 0.74 0.20 0.17 119.66 125.93 2jsf s GLN 37 Ca 0.02 -0.49 -0.32 0.00 0.05 0.00 0.00 55.36 54.63 2jsf s GLN 37 Cb 0.03 -3.08 -0.11 0.00 1.10 0.00 0.00 33.01 30.95 2jsf s GLN 37 CO -0.09 0.11 1.82 0.98 -0.55 0.00 0.00 175.29 177.56 2jsf n TYR 38 N 3.97 2.59 -3.69 1.67 9.36 -1.25 -0.38 117.16 129.42 2jsf n TYR 38 Ca -0.17 -0.11 -0.37 0.00 3.32 0.00 0.00 57.90 60.58 2jsf n TYR 38 Cb 0.52 -2.72 -0.09 0.00 -0.63 0.00 0.00 39.34 36.43 2jsf n TYR 38 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2jsf s GLU 39 N 2.63 2.76 0.00 2.98 0.41 0.77 -4.11 118.70 124.13 2jsf s GLU 39 Ca 0.82 -2.72 0.00 0.00 -0.41 0.00 0.00 54.97 52.66 2jsf s GLU 39 Cb -0.51 -3.80 0.00 0.00 -1.78 0.00 0.00 34.13 28.05 2jsf s GLU 39 CO 0.38 -1.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 2jsf n GLY 40 N 3.20 -0.56 3.34 -1.39 0.00 -1.26 0.25 105.19 108.77 2jsf n GLY 40 Ca 0.11 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2jsf n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jsf s ASP 41 N -4.00 3.42 0.00 1.61 2.15 -1.26 -4.87 116.67 113.72 2jsf s ASP 41 Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2jsf s ASP 41 Cb 0.00 -0.81 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 2jsf s ASP 41 CO 0.00 0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.89 2jsf n GLY 42 N 2.73 0.08 7.00 2.66 0.00 -1.26 -4.41 105.19 111.99 2jsf n GLY 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.92 -4.52 1.61 2.88 -1.26 -3.67 113.62 107.73 2jsf n SER 43 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 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 0.31 -4.07 -1.46 -0.02 -1.24 -4.53 135.00 123.99 2jsf n PRO 44 Ca 0.00 -0.21 -0.12 0.00 -2.02 0.00 0.00 63.50 61.15 2jsf n PRO 44 Cb 0.00 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 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 -3.63 1.87 -0.09 0.00 1.02 -1.26 -0.65 119.74 117.01 2jsf s LYS 46 Ca 0.29 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.62 2jsf s LYS 46 Cb 0.01 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 2jsf s LYS 46 CO 0.14 -1.37 -0.18 0.42 -0.92 0.00 0.00 175.35 173.45 2jsf s ILE 47 N -3.20 1.62 0.55 2.17 -1.09 0.55 -1.41 121.20 120.39 2jsf s ILE 47 Ca 0.64 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 58.09 2jsf s ILE 47 Cb -0.08 -1.43 -0.05 0.00 -1.58 0.00 0.00 42.46 39.33 2jsf s ILE 47 CO 0.44 0.46 1.27 -2.84 -1.23 0.00 0.00 174.94 173.05 2jsf s PRO 48 N 0.53 3.15 0.09 2.79 0.02 -1.26 -4.07 135.00 136.25 2jsf s PRO 48 Ca -0.16 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 62.67 2jsf s PRO 48 Cb -0.17 -2.15 0.05 0.00 0.02 0.00 0.00 34.50 32.25 2jsf s PRO 48 CO 0.06 -1.12 0.47 0.12 -0.33 0.00 0.00 177.00 176.21 2jsf s PHE 49 N -1.44 -0.34 -0.31 6.54 2.19 -1.26 -1.51 117.98 121.85 2jsf s PHE 49 Ca 0.73 0.19 -0.11 0.00 0.33 0.00 0.00 56.93 58.07 2jsf s PHE 49 Cb -0.35 0.33 0.19 0.00 -1.31 0.00 0.00 43.02 41.88 2jsf s PHE 49 CO 0.40 -0.69 1.06 -2.00 1.83 0.00 0.00 175.22 175.82 2jsf s GLU 50 N -3.18 0.14 0.38 10.12 2.12 -0.55 -4.93 118.70 122.80 2jsf s GLU 50 Ca -0.01 0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.42 2jsf s GLU 50 Cb 0.00 0.04 0.76 0.00 0.26 0.00 0.00 34.13 35.19 2jsf s GLU 50 CO -0.08 -0.24 2.00 0.82 -0.54 0.00 0.00 175.26 177.22 2jsf h ILE 51 N 4.02 1.07 0.00 -3.70 5.03 -1.83 -0.19 117.51 121.91 2jsf h ILE 51 Ca -0.07 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 2jsf h ILE 51 Cb 1.20 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.28 2jsf h ILE 51 CO -0.09 0.13 0.00 0.23 -0.68 0.00 0.00 178.15 177.74 2jsf n MET 52 N -4.47 0.00 0.00 2.37 2.81 -1.26 -3.09 117.12 113.48 2jsf n MET 52 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2jsf n MET 52 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.66 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 -2.73 0.00 0.00 7.83 -0.08 -1.26 -4.32 116.55 116.00 2jsf n ASP 53 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jsf n ASP 53 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 -2.71 -2.67 4.32 -1.26 -2.81 117.00 111.87 2jsf n LEU 54 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.92 2jsf n LEU 54 Cb 0.00 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 41.88 2jsf n LEU 54 CO 0.00 0.00 0.43 -1.84 -1.22 0.00 0.00 177.39 174.76 2jsf n GLU 55 N 0.00 0.62 -2.07 3.23 0.28 -1.26 -5.13 120.64 116.30 2jsf n GLU 55 Ca 0.00 -1.41 -0.12 0.00 -0.16 0.00 0.00 57.16 55.47 2jsf n GLU 55 Cb 0.00 -0.83 0.04 0.00 1.43 0.00 0.00 31.44 32.08 2jsf n GLU 55 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jsf n LYS 56 N 0.94 0.66 -0.27 3.44 4.76 -1.12 -4.91 118.16 121.66 2jsf n LYS 56 Ca 0.04 -1.77 0.33 0.00 -2.87 0.00 0.00 58.31 54.03 2jsf n LYS 56 Cb 0.69 -0.19 0.60 0.00 -1.84 0.00 0.00 35.03 34.30 2jsf n LYS 56 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2jsf h ARG 57 N 0.00 0.00 0.00 1.97 9.65 -1.97 -3.43 114.38 120.60 2jsf h ARG 57 Ca -0.16 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 58.89 2jsf h ARG 57 Cb 0.72 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 2jsf h ARG 57 CO 0.22 0.00 0.53 0.72 2.80 0.00 0.00 179.97 184.24 2jsf n HIS 58 N -3.55 -0.75 -3.13 2.20 8.25 -1.26 -5.12 115.22 111.86 2jsf n HIS 58 Ca 0.25 -0.72 -0.17 0.00 -0.26 0.00 0.00 57.72 56.82 2jsf n HIS 58 Cb 1.44 0.34 -0.05 0.00 1.12 0.00 0.00 29.99 32.84 2jsf n HIS 58 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jsf s VAL 59 N -2.13 -0.28 0.00 1.59 0.11 -1.26 -4.33 120.40 114.10 2jsf s VAL 59 Ca 0.19 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.41 2jsf s VAL 59 Cb -0.01 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2jsf s VAL 59 CO 0.02 -0.67 0.30 0.18 -3.33 0.00 0.00 175.10 171.59 2jsf n LEU 60 N 3.00 0.18 -4.32 2.54 4.77 -1.26 -4.96 117.00 116.95 2jsf n LEU 60 Ca 0.23 -0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 2jsf n LEU 60 Cb 0.51 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.87 2jsf n LEU 60 CO 0.04 0.04 0.35 0.61 -1.33 0.00 0.00 177.39 177.11 2jsf n GLY 61 N -0.03 -2.99 3.36 -0.72 0.00 -1.26 -4.39 105.19 99.16 2jsf n GLY 61 Ca 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 -4.60 1.15 -0.15 1.61 3.00 0.70 -4.87 118.95 115.80 2jsf s ARG 62 Ca 0.66 -1.00 0.01 0.00 -1.00 0.00 0.00 55.73 54.41 2jsf s ARG 62 Cb -0.18 0.42 0.02 0.00 0.00 0.00 0.00 34.95 35.21 2jsf s ARG 62 CO 0.61 -0.44 -0.16 -0.51 0.00 0.00 0.00 175.30 174.80 2jsf s LEU 63 N -2.90 1.79 0.09 -0.88 1.43 -1.26 0.27 118.68 117.21 2jsf s LEU 63 Ca 0.11 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2jsf s LEU 63 Cb 0.02 -1.23 -0.19 0.00 0.03 0.00 0.00 46.19 44.83 2jsf s LEU 63 CO -0.04 -0.03 1.10 0.40 0.23 0.00 0.00 176.35 178.01 2jsf h ILE 64 N 6.00 1.33 -0.97 -0.59 1.08 0.84 -3.17 117.51 122.05 2jsf h ILE 64 Ca -0.38 -3.04 -0.59 0.00 -0.39 0.00 0.00 64.86 60.45 2jsf h ILE 64 Cb 1.15 2.65 -0.29 0.00 -3.07 0.00 0.00 36.82 37.26 2jsf h ILE 64 CO 0.54 0.76 0.76 0.41 -0.69 0.00 0.00 178.15 179.94 2jsf n THR 65 N -3.23 3.40 -0.99 -0.27 -1.04 -0.41 -4.95 114.28 106.80 2jsf n THR 65 Ca -0.05 -2.44 -0.33 0.00 -2.04 0.00 0.00 64.05 59.18 2jsf n THR 65 Cb 0.95 -0.89 0.02 0.00 -1.82 0.00 0.00 70.33 68.59 2jsf n THR 65 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jsf n VAL 66 N -0.95 0.00 -4.01 12.58 0.31 -1.20 -2.01 118.33 123.05 2jsf n VAL 66 Ca 0.60 -0.44 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 2jsf n VAL 66 Cb 1.06 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.95 2jsf n VAL 66 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2jsf n ASN 67 N 2.71 -0.86 -4.48 4.52 0.23 -1.26 -4.83 115.26 111.28 2jsf n ASN 67 Ca 0.02 -1.07 -0.32 0.00 -0.53 0.00 0.00 54.58 52.69 2jsf n ASN 67 Cb 0.46 -1.31 0.15 0.00 -2.08 0.00 0.00 39.78 37.01 2jsf n ASN 67 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 2jsf n PRO 68 N -4.12 -0.62 -3.88 -0.53 -0.02 -0.85 -4.52 135.00 120.45 2jsf n PRO 68 Ca -0.20 -0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.03 2jsf n PRO 68 Cb 0.53 -2.01 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 2jsf n PRO 68 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jsf s ILE 69 N -2.45 0.05 0.25 4.25 1.01 -1.26 0.20 121.20 123.26 2jsf s ILE 69 Ca 0.60 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.86 2jsf s ILE 69 Cb -0.21 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2jsf s ILE 69 CO 0.64 -0.25 0.33 -0.69 0.00 0.00 0.00 174.94 174.98 2jsf s VAL 70 N -0.80 4.94 -0.02 2.92 1.01 0.17 -4.91 120.40 123.72 2jsf s VAL 70 Ca -0.09 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.85 2jsf s VAL 70 Cb -0.05 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2jsf s VAL 70 CO 0.00 -0.32 0.10 0.41 0.00 0.00 0.00 175.10 175.30 2jsf n THR 71 N -1.38 0.00 -1.36 3.92 -1.04 -1.26 -2.37 114.28 110.79 2jsf n THR 71 Ca -0.08 -0.11 0.01 0.00 -2.04 0.00 0.00 64.05 61.82 2jsf n THR 71 Cb 0.57 0.43 0.01 0.00 -1.82 0.00 0.00 70.33 69.52 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 -1.62 0.26 0.00 -2.82 1.02 -1.26 -3.71 120.64 112.51 2jsf n GLU 72 Ca -0.01 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 2jsf n GLU 72 Cb 0.11 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 -4.57 118.16 120.73 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 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.35 -4.59 4.39 -0.08 -1.26 -3.93 116.55 111.43 2jsf n ASP 74 Ca 0.00 -1.03 -0.43 0.00 -1.51 0.00 0.00 54.79 51.83 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 -0.03 6.12 -0.27 1.67 0.15 -1.26 -4.62 113.70 115.46 2jsf s SER 75 Ca 0.00 0.86 -0.35 0.00 0.70 0.00 0.00 55.95 57.16 2jsf s SER 75 Cb 0.00 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.66 2jsf s SER 75 CO 0.00 -1.60 2.06 -0.81 1.20 0.00 0.00 173.24 174.09 2jsf n PRO 76 N 8.32 1.39 -3.89 5.44 -0.04 -1.26 -4.36 135.00 140.61 2jsf n PRO 76 Ca 0.18 0.44 -0.27 0.00 -0.04 0.00 0.00 63.50 63.80 2jsf n PRO 76 Cb 0.48 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 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 6.18 5.32 -0.11 0.52 1.01 0.44 -4.74 120.40 129.01 2jsf s VAL 77 Ca 1.04 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 2jsf s VAL 77 Cb -0.81 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2jsf s VAL 77 CO 0.51 -0.05 -0.10 0.20 0.00 0.00 0.00 175.10 175.66 2jsf s ASN 78 N -3.05 4.29 -0.19 3.32 -0.87 -1.24 0.14 114.94 117.35 2jsf s ASN 78 Ca 0.35 -0.21 -0.01 0.00 -1.57 0.00 0.00 52.86 51.42 2jsf s ASN 78 Cb -0.11 -1.46 0.00 0.00 -0.02 0.00 0.00 41.25 39.66 2jsf s ASN 78 CO 0.28 0.23 -0.12 -0.63 -2.57 0.00 0.00 177.10 174.29 2jsf s ILE 79 N 0.00 2.80 -0.46 0.60 -1.09 0.18 -4.76 121.20 118.47 2jsf s ILE 79 Ca -0.02 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 2jsf s ILE 79 Cb -0.14 -2.22 0.06 0.00 -1.58 0.00 0.00 42.46 38.57 2jsf s ILE 79 CO 0.04 0.49 0.40 -0.70 -1.23 0.00 0.00 174.94 173.93 2jsf s GLU 80 N 1.20 3.00 0.19 2.79 2.56 -1.24 -0.79 118.70 126.41 2jsf s GLU 80 Ca 0.02 -1.19 0.10 0.00 0.00 0.00 0.00 54.97 53.90 2jsf s GLU 80 Cb -0.14 -4.09 -0.04 0.00 2.00 0.00 0.00 34.13 31.86 2jsf s GLU 80 CO -0.05 -0.98 -0.19 0.00 -0.56 0.00 0.00 175.26 173.48 2jsf s ALA 81 N 1.79 2.25 -0.51 6.30 0.00 -0.28 0.14 121.76 131.45 2jsf s ALA 81 Ca 0.06 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.27 2jsf s ALA 81 Cb -0.22 -0.22 0.12 0.00 0.00 0.00 0.00 23.12 22.80 2jsf s ALA 81 CO 0.08 0.27 0.44 -2.00 0.00 0.00 0.00 175.76 174.56 2jsf s GLU 82 N -2.97 2.87 0.59 0.00 2.12 0.78 -0.24 118.70 121.86 2jsf s GLU 82 Ca 0.20 -1.65 -0.18 0.00 0.36 0.00 0.00 54.97 53.69 2jsf s GLU 82 Cb -0.06 -4.18 -0.03 0.00 0.26 0.00 0.00 34.13 30.12 2jsf s GLU 82 CO 0.09 -1.24 1.16 -1.25 -0.54 0.00 0.00 175.26 173.47 2jsf s PRO 83 N 1.55 3.05 0.00 4.30 0.04 -1.26 0.25 135.00 142.93 2jsf s PRO 83 Ca 0.04 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2jsf s PRO 83 Cb -0.28 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2jsf s PRO 83 CO 0.03 -1.10 0.68 -0.35 0.04 0.00 0.00 177.00 176.30 2jsf n PRO 84 N -1.69 0.00 -3.60 0.56 -0.04 -1.26 -4.78 135.00 124.18 2jsf n PRO 84 Ca 0.12 0.26 -0.04 0.00 -0.04 0.00 0.00 63.50 63.81 2jsf n PRO 84 Cb 0.51 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.89 -0.11 0.00 0.54 2.19 -1.26 -4.98 117.98 112.47 2jsf s PHE 85 Ca 0.00 0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.32 2jsf s PHE 85 Cb 0.00 0.51 0.00 0.00 -1.31 0.00 0.00 43.02 42.22 2jsf s PHE 85 CO 0.00 -0.18 0.00 0.41 1.83 0.00 0.00 175.22 177.28 2jsf n GLY 86 N -0.10 2.04 3.76 13.12 0.00 0.62 -4.68 105.19 119.96 2jsf n GLY 86 Ca 0.01 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 5.18 -0.23 1.61 1.01 -1.26 -1.07 116.67 117.90 2jsf s ASP 87 Ca 0.00 2.18 -0.11 0.00 0.71 0.00 0.00 52.55 55.33 2jsf s ASP 87 Cb 0.00 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.44 2jsf s ASP 87 CO 0.00 -1.59 0.54 -0.55 0.21 0.00 0.00 175.17 173.78 2jsf s SER 88 N -2.07 -0.70 -0.53 0.27 0.15 -0.23 -4.87 113.70 105.72 2jsf s SER 88 Ca 0.72 1.23 -0.16 0.00 0.70 0.00 0.00 55.95 58.44 2jsf s SER 88 Cb -0.25 1.40 0.13 0.00 -1.71 0.00 0.00 66.02 65.59 2jsf s SER 88 CO 0.36 -0.22 0.49 -0.31 1.20 0.00 0.00 173.24 174.75 2jsf s TYR 89 N 2.07 3.26 -0.37 3.44 2.02 -1.18 0.24 117.35 126.83 2jsf s TYR 89 Ca -0.07 -1.31 -0.29 0.00 -0.37 0.00 0.00 57.07 55.03 2jsf s TYR 89 Cb -0.09 -3.75 0.00 0.00 -0.40 0.00 0.00 41.96 37.72 2jsf s TYR 89 CO -0.16 -1.01 1.44 0.42 -1.57 0.00 0.00 175.55 174.67 2jsf s ILE 90 N 1.59 3.90 0.14 2.71 1.09 0.66 -4.07 121.20 127.22 2jsf s ILE 90 Ca 0.03 0.95 -0.11 0.00 -1.10 0.00 0.00 60.65 60.42 2jsf s ILE 90 Cb -0.29 -4.11 -0.06 0.00 -1.06 0.00 0.00 42.46 36.93 2jsf s ILE 90 CO 0.03 -0.63 0.48 -0.63 -0.10 0.00 0.00 174.94 174.09 2jsf s ILE 91 N 5.31 4.99 -0.02 2.92 1.01 -0.08 -0.43 121.20 134.90 2jsf s ILE 91 Ca 0.63 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.83 2jsf s ILE 91 Cb -0.16 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2jsf s ILE 91 CO 0.30 0.16 -0.06 -0.63 0.00 0.00 0.00 174.94 174.71 2jsf s ILE 92 N -1.55 0.53 0.00 2.92 1.01 -0.59 -1.48 121.20 122.04 2jsf s ILE 92 Ca 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2jsf s ILE 92 Cb -0.13 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.86 2jsf s ILE 92 CO 0.20 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2jsf n GLY 93 N 3.23 -1.72 3.37 6.18 0.00 -0.57 0.27 105.19 115.95 2jsf n GLY 93 Ca -0.17 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 2.19 0.00 1.61 -7.23 -1.26 -4.36 120.40 111.35 2jsf s VAL 94 Ca 0.00 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2jsf s VAL 94 Cb 0.00 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 35.03 2jsf s VAL 94 CO 0.00 0.18 0.00 -0.62 -0.31 0.00 0.00 175.10 174.35 2jsf n GLU 95 N 1.24 0.00 -0.87 4.82 1.02 -1.26 -0.12 120.64 125.46 2jsf n GLU 95 Ca -0.18 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.76 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 -3.37 0.01 -0.44 3.49 -0.04 -1.26 -1.93 135.00 131.47 2jsf n PRO 96 Ca 0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 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 4.60 0.91 3.21 0.55 0.00 -1.20 -4.67 105.19 108.59 2jsf n GLY 97 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.10 -2.80 1.61 7.27 0.82 -4.31 117.38 117.87 2jsf n GLN 98 Ca 0.00 -0.01 -0.20 0.00 0.07 0.00 0.00 57.00 56.86 2jsf n GLN 98 Cb 0.00 -1.41 0.05 0.00 2.41 0.00 0.00 30.24 31.29 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 3.63 3.28 -0.21 1.69 1.43 0.76 -4.87 118.68 124.39 2jsf s LEU 99 Ca 0.49 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2jsf s LEU 99 Cb -0.21 -2.39 0.06 0.00 0.03 0.00 0.00 46.19 43.68 2jsf s LEU 99 CO 0.75 -1.23 0.51 -0.75 0.23 0.00 0.00 176.35 175.86 2jsf s LYS 100 N -4.71 0.52 -0.07 1.70 2.20 -1.26 -1.55 119.74 116.56 2jsf s LYS 100 Ca 0.59 0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 57.12 2jsf s LYS 100 Cb -0.08 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.32 2jsf s LYS 100 CO 0.38 -0.15 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.70 2jsf s LEU 101 N 1.36 0.80 -0.08 5.43 1.02 0.43 -4.91 118.68 122.73 2jsf s LEU 101 Ca -0.09 -0.13 -0.20 0.00 0.02 0.00 0.00 54.13 53.73 2jsf s LEU 101 Cb -0.07 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.59 2jsf s LEU 101 CO -0.14 -0.16 0.56 0.21 0.02 0.00 0.00 176.35 176.85 2jsf s ASN 102 N 1.77 6.82 -0.09 2.29 3.04 -1.25 0.24 114.94 127.76 2jsf s ASN 102 Ca 0.03 0.99 0.02 0.00 0.04 0.00 0.00 52.86 53.93 2jsf s ASN 102 Cb -0.13 -2.34 -0.02 0.00 -1.54 0.00 0.00 41.25 37.23 2jsf s ASN 102 CO -0.05 -0.01 -0.13 0.86 -3.04 0.00 0.00 177.10 174.73 2jsf s TRP 103 N 0.52 2.77 -1.21 0.43 -0.00 0.64 -4.88 118.94 117.22 2jsf s TRP 103 Ca 0.30 -0.36 -0.12 0.00 -0.00 0.00 0.00 56.10 55.92 2jsf s TRP 103 Cb -0.16 -1.74 0.19 0.00 -0.00 0.00 0.00 33.47 31.76 2jsf s TRP 103 CO 0.14 0.02 1.51 1.19 -0.00 0.00 0.00 176.95 179.80 2jsf n PHE 104 N 2.87 4.40 -3.09 5.86 3.72 -1.26 -1.07 117.46 128.89 2jsf n PHE 104 Ca -0.18 -3.26 -0.45 0.00 -0.05 0.00 0.00 57.45 53.52 2jsf n PHE 104 Cb 0.52 -2.03 -0.03 0.00 -0.94 0.00 0.00 39.48 37.01 2jsf n PHE 104 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2jsf s LYS 105 N 0.72 3.43 0.00 -1.08 2.36 -0.23 -4.88 119.74 120.05 2jsf s LYS 105 Ca 0.40 -1.81 0.00 0.00 -2.55 0.00 0.00 55.97 52.01 2jsf s LYS 105 Cb -0.00 -4.57 0.00 0.00 -1.05 0.00 0.00 37.83 32.21 2jsf s LYS 105 CO -0.00 -1.57 0.00 1.63 1.55 0.00 0.00 175.35 176.96 2jsf n LYS 106 N 5.78 0.00 0.00 4.03 5.02 -1.26 0.23 118.16 131.95 2jsf n LYS 106 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2jsf n LYS 106 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 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 2.59 0.38 3.98 0.72 0.00 -1.26 -4.59 105.19 107.01 2jsf n GLY 107 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.24 -4.89 1.61 7.64 -1.26 -4.95 113.62 108.53 2jsf n SER 108 Ca 0.00 -1.18 -0.21 0.00 1.01 0.00 0.00 58.87 58.49 2jsf n SER 108 Cb 0.00 -2.33 -0.03 0.00 -1.01 0.00 0.00 64.21 60.84 2jsf n SER 108 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jsf s SER 109 N -3.75 5.52 -0.26 6.43 0.15 -1.26 -5.04 113.70 115.49 2jsf s SER 109 Ca 0.36 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.52 2jsf s SER 109 Cb -0.17 -1.11 0.10 0.00 -1.71 0.00 0.00 66.02 63.13 2jsf s SER 109 CO 0.93 -0.33 0.58 -0.22 1.20 0.00 0.00 173.24 175.40 2jsf s LEU 110 N -4.02 -0.85 0.01 3.45 0.20 -1.26 -5.16 118.68 111.04 2jsf s LEU 110 Ca 0.41 1.34 -0.29 0.00 0.69 0.00 0.00 54.13 56.28 2jsf s LEU 110 Cb -0.07 1.99 0.11 0.00 -0.43 0.00 0.00 46.19 47.79 2jsf s LEU 110 CO 0.28 -0.22 1.25 -0.70 -0.29 0.00 0.00 176.35 176.66 2jsf s GLU 111 N 2.33 0.50 -0.29 1.98 2.12 -1.26 -5.06 118.70 119.02 2jsf s GLU 111 Ca -0.06 -0.29 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 2jsf s GLU 111 Cb -0.10 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.46 2jsf s GLU 111 CO -0.17 -0.23 0.04 1.58 -0.54 0.00 0.00 175.26 175.93 2jsf n HIS 112 N -0.57 -4.02 -0.39 5.30 -0.00 -1.26 -5.03 115.22 109.24 2jsf n HIS 112 Ca -0.06 1.87 0.00 0.00 0.46 0.00 0.00 57.72 59.99 2jsf n HIS 112 Cb 0.62 -3.96 0.00 0.00 -0.12 0.00 0.00 29.99 26.53 2jsf n HIS 112 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2jsf n HIS 113 N 0.87 0.00 -3.51 1.57 1.44 -1.26 -5.15 115.22 109.18 2jsf n HIS 113 Ca -0.06 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.58 2jsf n HIS 113 Cb 0.10 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.14 2jsf n HIS 113 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jsf s HIS 114 N 0.22 -0.94 0.14 -1.40 -3.43 -1.26 -5.16 115.29 103.46 2jsf s HIS 114 Ca 0.00 1.39 0.01 0.00 -0.80 0.00 0.00 55.06 55.66 2jsf s HIS 114 Cb 0.00 0.28 0.03 0.00 -1.43 0.00 0.00 32.58 31.46 2jsf s HIS 114 CO 0.00 -0.62 0.20 1.58 -2.00 0.00 0.00 174.74 173.90 2jsf n HIS 115 N 5.39 -3.15 -3.21 0.38 -0.00 -1.26 -5.01 115.22 108.35 2jsf n HIS 115 Ca -0.06 -0.40 -0.45 0.00 0.46 0.00 0.00 57.72 57.27 2jsf n HIS 115 Cb 0.50 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 2jsf n HIS 115 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jsf n HIS 116 N -1.56 4.90 0.00 1.57 8.25 -1.26 -5.33 115.22 121.79 2jsf n HIS 116 Ca 0.03 -3.67 0.00 0.00 -0.26 0.00 0.00 57.72 53.83 2jsf n HIS 116 Cb 0.13 -1.76 0.00 0.00 1.12 0.00 0.00 29.99 29.48 2jsf n HIS 116 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59