#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 4.82 0.14 6.12 8.00 -1.26 -4.76 116.55 129.61 2jsf n ASP 2 Ca 0.00 -2.94 0.19 0.00 0.71 0.00 0.00 54.79 52.75 2jsf n ASP 2 Cb 0.00 -1.66 0.78 0.00 -0.02 0.00 0.00 41.12 40.22 2jsf n ASP 2 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2jsf h LYS 3 N 6.96 0.00 -5.37 -1.24 1.63 -2.06 -3.38 116.57 113.10 2jsf h LYS 3 Ca 0.43 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 60.08 2jsf h LYS 3 Cb 0.80 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 2jsf h LYS 3 CO 1.51 0.00 0.59 -0.11 -3.45 0.00 0.00 179.45 177.99 2jsf n LEU 4 N -3.80 1.67 0.00 5.20 0.00 -1.26 -4.56 117.00 114.25 2jsf n LEU 4 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 56.01 54.91 2jsf n LEU 4 Cb 0.48 -1.55 0.00 0.00 0.00 0.00 0.00 43.42 42.35 2jsf n LEU 4 CO 0.28 -2.26 0.00 0.00 0.00 0.00 0.00 177.39 175.41 2jsf n GLN 5 N 8.63 0.00 -0.00 1.96 6.02 -1.26 -5.04 117.38 127.68 2jsf n GLN 5 Ca 0.47 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 2jsf n GLN 5 Cb 0.43 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.66 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2jsf n LEU 6 N 0.00 0.01 -2.44 1.08 7.94 -1.26 -5.01 117.00 117.32 2jsf n LEU 6 Ca 0.00 -0.03 -0.20 0.00 -1.11 0.00 0.00 56.01 54.68 2jsf n LEU 6 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 2jsf n LEU 6 CO 0.00 0.00 -0.14 0.29 -1.11 0.00 0.00 177.39 176.43 2jsf n LYS 7 N -1.61 -2.80 -3.81 1.96 5.02 -1.26 -4.94 118.16 110.72 2jsf n LYS 7 Ca -0.01 0.89 -0.04 0.00 -2.02 0.00 0.00 58.31 57.13 2jsf n LYS 7 Cb 0.10 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.60 2jsf n LYS 7 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jsf s GLY 8 N -2.39 -0.04 0.00 0.72 0.00 -1.26 -5.19 107.32 99.16 2jsf s GLY 8 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.68 2jsf s GLY 8 CO 0.15 0.79 0.00 -0.13 0.00 0.00 0.00 173.10 173.91 2jsf n MET 9 N -0.56 0.91 -1.38 2.90 1.56 -1.26 -5.10 117.12 114.19 2jsf n MET 9 Ca -0.05 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 56.97 2jsf n MET 9 Cb 0.60 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.98 2jsf n MET 9 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2jsf n SER 10 N -2.05 -1.94 0.00 6.12 3.41 -1.26 -4.95 113.62 112.95 2jsf n SER 10 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 2jsf n SER 10 Cb 0.00 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 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 -1.21 0.00 -0.38 7.33 4.19 -1.26 -4.89 117.16 120.94 2jsf n TYR 11 Ca 0.11 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.32 2jsf n TYR 11 Cb 0.43 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 40.08 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 -1.98 0.18 -3.06 2.98 2.88 -1.26 -4.87 113.62 108.50 2jsf n SER 12 Ca 0.00 -0.63 -0.10 0.00 -1.33 0.00 0.00 58.87 56.80 2jsf n SER 12 Cb 0.00 0.14 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.14 -1.94 -1.52 -1.46 0.00 -1.26 -4.64 117.12 106.15 2jsf n MET 13 Ca 0.00 1.75 -0.39 0.00 -0.00 0.00 0.00 57.70 59.06 2jsf n MET 13 Cb 0.10 -5.05 -0.08 0.00 0.00 0.00 0.00 33.22 28.18 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 7.75 0.00 0.00 0.00 5.66 -1.26 -4.23 114.28 122.20 2jsf n THR 15 Ca 0.48 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 2jsf n THR 15 Cb 0.33 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 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 1.44 -3.08 3.25 1.09 0.00 -1.26 -4.49 105.19 102.14 2jsf n GLY 16 Ca 0.08 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 1.49 -0.01 1.61 1.02 -1.18 -4.37 119.74 118.30 2jsf s LYS 17 Ca 0.00 -1.82 0.02 0.00 0.02 0.00 0.00 55.97 54.18 2jsf s LYS 17 Cb 0.00 0.30 -0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2jsf s LYS 17 CO 0.00 -0.53 -0.06 -0.06 -0.92 0.00 0.00 175.35 173.78 2jsf s PHE 18 N -3.79 0.61 -0.28 3.18 0.40 -1.26 0.15 117.98 116.99 2jsf s PHE 18 Ca 0.40 -0.12 -0.08 0.00 -0.60 0.00 0.00 56.93 56.53 2jsf s PHE 18 Cb 0.05 -0.42 -0.01 0.00 0.51 0.00 0.00 43.02 43.15 2jsf s PHE 18 CO 0.20 -0.03 0.09 0.21 0.70 0.00 0.00 175.22 176.39 2jsf s LYS 19 N -0.01 3.36 0.12 0.44 2.20 0.06 -4.64 119.74 121.27 2jsf s LYS 19 Ca 0.01 -0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 54.62 2jsf s LYS 19 Cb -0.04 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.77 2jsf s LYS 19 CO -0.00 -0.34 1.84 0.28 -0.36 0.00 0.00 175.35 176.76 2jsf n VAL 20 N 4.92 0.37 -0.06 4.02 0.31 -1.26 0.72 118.33 127.35 2jsf n VAL 20 Ca -0.15 -0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.05 2jsf n VAL 20 Cb 0.50 -2.12 -0.15 0.00 -0.91 0.00 0.00 33.84 31.16 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 4.71 1.23 -3.70 2.52 0.31 0.61 -4.80 118.33 119.21 2jsf n VAL 21 Ca 0.18 -0.78 -0.12 0.00 -0.01 0.00 0.00 64.34 63.60 2jsf n VAL 21 Cb 0.37 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.67 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 -2.69 0.54 0.90 5.55 2.47 0.11 -4.93 119.74 121.69 2jsf s LYS 22 Ca -0.08 0.72 -0.12 0.00 -1.56 0.00 0.00 55.97 54.93 2jsf s LYS 22 Cb 0.08 0.21 0.08 0.00 -1.46 0.00 0.00 37.83 36.74 2jsf s LYS 22 CO 0.84 -0.09 0.80 -1.91 0.16 0.00 0.00 175.35 175.15 2jsf n GLU 23 N 3.15 -0.22 -1.67 4.03 2.13 -1.26 -2.74 120.64 124.05 2jsf n GLU 23 Ca -0.15 -0.01 -0.46 0.00 0.66 0.00 0.00 57.16 57.20 2jsf n GLU 23 Cb 0.57 -2.13 -0.04 0.00 0.27 0.00 0.00 31.44 30.11 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 -3.67 0.07 -3.76 6.31 2.08 -1.25 -4.53 119.36 114.61 2jsf n ILE 24 Ca 0.10 -0.02 -0.22 0.00 0.56 0.00 0.00 62.75 63.17 2jsf n ILE 24 Cb 0.52 -1.56 -0.04 0.00 -0.75 0.00 0.00 39.64 37.81 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 0.85 3.87 -0.12 -1.39 0.00 0.67 -4.78 121.76 120.87 2jsf s ALA 25 Ca 0.78 -1.85 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 2jsf s ALA 25 Cb -0.67 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2jsf s ALA 25 CO 0.38 -0.13 -0.11 -1.83 0.00 0.00 0.00 175.76 174.08 2jsf s GLU 26 N -4.03 3.25 0.78 0.00 -1.05 -1.26 0.28 118.70 116.67 2jsf s GLU 26 Ca 0.44 -0.64 -0.07 0.00 -0.15 0.00 0.00 54.97 54.56 2jsf s GLU 26 Cb -0.03 -2.65 0.13 0.00 -0.44 0.00 0.00 34.13 31.14 2jsf s GLU 26 CO 0.26 0.33 1.09 0.95 0.95 0.00 0.00 175.26 178.84 2jsf s THR 27 N 0.08 2.15 -0.25 1.83 -4.23 -0.10 -4.86 115.64 110.26 2jsf s THR 27 Ca -0.04 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 2jsf s THR 27 Cb -0.14 -2.80 0.31 0.00 1.34 0.00 0.00 72.50 71.21 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 -3.11 1.68 0.00 3.99 10.64 -1.26 -3.67 117.38 125.64 2jsf n GLN 28 Ca 0.13 -1.39 0.00 0.00 -1.83 0.00 0.00 57.00 53.92 2jsf n GLN 28 Cb 0.60 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 -0.21 0.00 -0.08 2.61 8.25 -1.26 -4.97 115.22 119.56 2jsf n HIS 29 Ca 0.26 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2jsf n HIS 29 Cb 1.01 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.11 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 -0.09 0.53 2.39 -1.41 0.00 -1.24 -5.07 105.19 100.30 2jsf n GLY 30 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.00 -4.03 2.61 -2.24 -1.26 -4.34 114.28 103.02 2jsf n THR 31 Ca 0.00 -1.04 -0.09 0.00 -2.27 0.00 0.00 64.05 60.65 2jsf n THR 31 Cb 0.00 -0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 67.17 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 -1.60 0.21 -0.06 2.28 -4.36 0.65 -0.92 121.20 117.39 2jsf s ILE 32 Ca 0.40 -1.24 0.05 0.00 -0.26 0.00 0.00 60.65 59.60 2jsf s ILE 32 Cb -0.03 -0.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.94 2jsf s ILE 32 CO 0.26 -0.65 -0.22 -0.69 0.24 0.00 0.00 174.94 173.87 2jsf s VAL 33 N -2.28 2.31 -0.19 8.37 1.01 0.79 -1.01 120.40 129.40 2jsf s VAL 33 Ca -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2jsf s VAL 33 Cb -0.04 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2jsf s VAL 33 CO -0.04 0.57 -0.19 -0.51 0.00 0.00 0.00 175.10 174.93 2jsf s ILE 34 N -0.18 2.08 -0.25 2.22 -1.16 -0.16 0.24 121.20 123.99 2jsf s ILE 34 Ca -0.02 -1.03 -0.11 0.00 -0.51 0.00 0.00 60.65 58.98 2jsf s ILE 34 Cb -0.14 -1.92 -0.05 0.00 0.61 0.00 0.00 42.46 40.97 2jsf s ILE 34 CO 0.04 0.47 0.17 -0.60 -2.81 0.00 0.00 174.94 172.20 2jsf s ARG 35 N 1.27 4.02 0.13 3.50 3.52 -1.11 0.35 118.95 130.64 2jsf s ARG 35 Ca 0.03 -0.29 -0.09 0.00 -0.13 0.00 0.00 55.73 55.25 2jsf s ARG 35 Cb -0.14 -3.57 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2jsf s ARG 35 CO -0.12 -0.01 0.26 0.14 -0.81 0.00 0.00 175.30 174.76 2jsf s VAL 36 N 1.27 0.10 -0.15 7.11 -7.23 0.11 0.22 120.40 121.83 2jsf s VAL 36 Ca 0.07 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 2jsf s VAL 36 Cb -0.14 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2jsf s VAL 36 CO 0.06 -0.43 -0.05 -1.58 -0.31 0.00 0.00 175.10 172.79 2jsf s GLN 37 N -3.91 3.58 0.04 4.82 0.74 0.22 0.18 119.66 125.32 2jsf s GLN 37 Ca 0.11 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.67 2jsf s GLN 37 Cb 0.04 -2.86 -0.10 0.00 1.10 0.00 0.00 33.01 31.19 2jsf s GLN 37 CO -0.05 0.27 1.93 0.98 -0.55 0.00 0.00 175.29 177.87 2jsf n TYR 38 N 3.43 2.50 -1.01 1.67 9.36 -1.25 -0.76 117.16 131.11 2jsf n TYR 38 Ca -0.18 -0.27 0.05 0.00 3.32 0.00 0.00 57.90 60.83 2jsf n TYR 38 Cb 0.53 -2.77 0.30 0.00 -0.63 0.00 0.00 39.34 36.77 2jsf n TYR 38 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2jsf n GLU 39 N 7.00 3.49 -0.26 2.98 1.02 0.40 -4.27 120.64 131.00 2jsf n GLU 39 Ca 0.20 -2.99 0.00 0.00 -0.02 0.00 0.00 57.16 54.35 2jsf n GLU 39 Cb 0.38 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 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 -0.21 6.20 3.23 0.62 0.00 -0.85 -3.10 105.19 111.09 2jsf n GLY 40 Ca 0.26 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 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 0.35 2.32 0.00 1.61 -1.08 -1.26 -4.85 116.67 113.76 2jsf s ASP 41 Ca 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 2jsf s ASP 41 Cb 0.00 -0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.28 2jsf s ASP 41 CO 0.00 0.13 0.00 0.61 0.52 0.00 0.00 175.17 176.43 2jsf n GLY 42 N 1.83 -0.06 7.00 2.66 0.00 -1.26 -4.71 105.19 110.66 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 -0.52 -4.50 1.61 2.88 -1.26 -4.10 113.62 107.72 2jsf n SER 43 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 2jsf n SER 43 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 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 0.07 -4.09 -1.46 -0.02 -1.24 -4.70 135.00 123.56 2jsf n PRO 44 Ca 0.00 -0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 2jsf n PRO 44 Cb 0.00 -1.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.08 1.35 -0.13 0.00 1.02 -1.26 0.77 119.74 117.41 2jsf s LYS 46 Ca 0.29 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.92 2jsf s LYS 46 Cb 0.04 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2jsf s LYS 46 CO 0.09 -1.89 -0.17 0.42 -0.92 0.00 0.00 175.35 172.88 2jsf s ILE 47 N -3.60 1.67 0.47 2.17 -1.09 0.30 -1.35 121.20 119.77 2jsf s ILE 47 Ca 0.68 -0.73 -0.24 0.00 -2.23 0.00 0.00 60.65 58.13 2jsf s ILE 47 Cb -0.07 -1.52 -0.07 0.00 -1.58 0.00 0.00 42.46 39.22 2jsf s ILE 47 CO 0.49 0.47 1.39 -2.84 -1.23 0.00 0.00 174.94 173.23 2jsf s PRO 48 N 1.09 3.57 0.11 2.79 0.02 -1.26 -4.54 135.00 136.78 2jsf s PRO 48 Ca -0.03 2.32 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 2jsf s PRO 48 Cb -0.14 -2.55 0.03 0.00 0.02 0.00 0.00 34.50 31.85 2jsf s PRO 48 CO -0.04 -0.88 0.35 0.12 -0.33 0.00 0.00 177.00 176.22 2jsf s PHE 49 N -1.25 -0.12 -0.30 6.54 5.36 -1.26 -1.35 117.98 125.60 2jsf s PHE 49 Ca 0.64 -0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 56.23 2jsf s PHE 49 Cb -0.42 0.18 0.18 0.00 -0.34 0.00 0.00 43.02 42.63 2jsf s PHE 49 CO 0.52 -0.66 1.17 -2.00 -1.46 0.00 0.00 175.22 172.79 2jsf s GLU 50 N -3.77 0.04 -1.30 10.12 2.56 -0.42 -4.91 118.70 121.00 2jsf s GLU 50 Ca 0.03 0.04 -0.11 0.00 0.00 0.00 0.00 54.97 54.93 2jsf s GLU 50 Cb 0.02 0.02 0.14 0.00 2.00 0.00 0.00 34.13 36.32 2jsf s GLU 50 CO -0.12 -0.06 1.89 -0.89 -0.56 0.00 0.00 175.26 175.52 2jsf n ILE 51 N 5.06 4.19 0.08 -3.70 5.41 -1.25 0.49 119.36 129.64 2jsf n ILE 51 Ca 0.09 -4.20 0.00 0.00 1.00 0.00 0.00 62.75 59.64 2jsf n ILE 51 Cb 0.58 -2.41 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 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 4.50 0.00 0.00 0.38 2.81 -0.56 -4.30 117.12 119.96 2jsf n MET 52 Ca 0.42 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 2jsf n MET 52 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.89 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 -2.87 0.00 0.00 7.83 2.03 -1.26 -4.27 116.55 118.01 2jsf n ASP 53 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jsf n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jsf n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jsf n LEU 54 N 0.00 0.00 -2.71 -2.67 4.77 -1.26 -2.76 117.00 112.37 2jsf n LEU 54 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2jsf n LEU 54 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2jsf n LEU 54 CO 0.00 0.00 0.42 1.21 -1.33 0.00 0.00 177.39 177.69 2jsf n GLU 55 N 0.00 0.67 -4.73 3.23 2.13 -1.26 -4.76 120.64 115.91 2jsf n GLU 55 Ca 0.00 -1.47 -0.32 0.00 0.66 0.00 0.00 57.16 56.02 2jsf n GLU 55 Cb 0.00 -0.86 -0.16 0.00 0.27 0.00 0.00 31.44 30.68 2jsf n GLU 55 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2jsf s LYS 56 N 0.31 3.04 0.23 5.31 -2.85 -1.11 -5.06 119.74 119.61 2jsf s LYS 56 Ca 0.25 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 2jsf s LYS 56 Cb 0.27 -2.43 0.00 0.00 -2.06 0.00 0.00 37.83 33.60 2jsf s LYS 56 CO -0.14 0.02 0.00 0.54 0.10 0.00 0.00 175.35 175.87 2jsf n ARG 57 N 3.99 0.00 -1.36 1.78 5.12 -1.26 -4.72 116.66 120.21 2jsf n ARG 57 Ca -0.20 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.72 2jsf n ARG 57 Cb 0.52 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.83 2jsf n ARG 57 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2jsf n HIS 58 N -0.09 -0.27 -1.91 -1.55 -0.00 -1.26 -4.98 115.22 105.17 2jsf n HIS 58 Ca 0.00 -0.25 -0.34 0.00 -0.00 0.00 0.00 57.72 57.13 2jsf n HIS 58 Cb 0.00 0.60 0.04 0.00 -0.00 0.00 0.00 29.99 30.63 2jsf n HIS 58 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2jsf n VAL 59 N -0.20 3.19 0.00 3.57 0.31 -1.26 -4.71 118.33 119.22 2jsf n VAL 59 Ca -0.04 -4.08 0.00 0.00 -0.01 0.00 0.00 64.34 60.21 2jsf n VAL 59 Cb 0.50 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.65 0.00 0.00 7.52 7.94 -1.26 -5.11 117.00 125.44 2jsf n LEU 60 Ca 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2jsf n LEU 60 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2jsf n LEU 60 CO 0.53 -0.29 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2jsf n GLY 61 N 3.02 -0.22 3.60 -3.96 0.00 -1.26 -4.33 105.19 102.04 2jsf n GLY 61 Ca 0.00 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.06 1.51 -0.16 1.61 3.52 0.69 -4.89 118.95 121.18 2jsf s ARG 62 Ca 0.00 -1.04 0.01 0.00 -0.13 0.00 0.00 55.73 54.57 2jsf s ARG 62 Cb 0.00 0.51 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 2jsf s ARG 62 CO 0.00 -0.64 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.15 2jsf s LEU 63 N -2.94 1.99 0.18 -0.88 1.43 -1.26 0.26 118.68 117.46 2jsf s LEU 63 Ca 0.15 -0.58 0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2jsf s LEU 63 Cb -0.02 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.78 2jsf s LEU 63 CO 0.03 0.01 1.26 0.40 0.23 0.00 0.00 176.35 178.29 2jsf h ILE 64 N 5.94 1.05 -0.83 -0.59 5.03 0.36 -3.05 117.51 125.41 2jsf h ILE 64 Ca -0.39 -2.55 -0.48 0.00 -0.12 0.00 0.00 64.86 61.32 2jsf h ILE 64 Cb 1.16 2.48 -0.25 0.00 -3.03 0.00 0.00 36.82 37.18 2jsf h ILE 64 CO 0.58 0.60 0.61 0.41 -0.68 0.00 0.00 178.15 179.66 2jsf n THR 65 N -3.20 3.01 -1.02 -0.27 -1.04 0.07 -4.94 114.28 106.89 2jsf n THR 65 Ca -0.01 -1.90 -0.35 0.00 -2.04 0.00 0.00 64.05 59.75 2jsf n THR 65 Cb 0.83 -0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.76 1.33 -3.63 12.58 0.31 -1.15 -1.45 118.33 125.56 2jsf n VAL 66 Ca 0.51 -0.37 -0.22 0.00 -0.01 0.00 0.00 64.34 64.25 2jsf n VAL 66 Cb 1.21 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 34.20 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 1.51 -3.10 -4.71 4.52 2.85 -1.26 -4.91 115.26 110.15 2jsf n ASN 67 Ca 0.13 -0.69 -0.38 0.00 -0.11 0.00 0.00 54.58 53.52 2jsf n ASN 67 Cb 0.20 -4.57 0.05 0.00 1.24 0.00 0.00 39.78 36.70 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 -4.45 1.33 -3.88 1.20 -0.04 -0.53 -4.77 135.00 123.87 2jsf n PRO 68 Ca -0.18 0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2jsf n PRO 68 Cb 0.63 -2.48 -0.12 0.00 -0.04 0.00 0.00 33.50 31.49 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 -1.36 0.04 0.22 0.52 1.01 -1.26 0.11 121.20 120.49 2jsf s ILE 69 Ca 0.77 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 2jsf s ILE 69 Cb -0.41 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 2jsf s ILE 69 CO 0.45 -0.20 0.46 -0.69 0.00 0.00 0.00 174.94 174.97 2jsf s VAL 70 N -0.63 5.10 -0.03 2.92 1.01 0.23 -4.88 120.40 124.12 2jsf s VAL 70 Ca -0.07 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 61.99 2jsf s VAL 70 Cb -0.04 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.48 2jsf s VAL 70 CO 0.00 -0.17 0.21 0.41 0.00 0.00 0.00 175.10 175.56 2jsf n THR 71 N -0.53 0.10 -4.00 3.92 -1.04 -1.26 -1.97 114.28 109.50 2jsf n THR 71 Ca -0.02 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.59 2jsf n THR 71 Cb 0.53 0.11 -0.12 0.00 -1.82 0.00 0.00 70.33 69.03 2jsf n THR 71 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2jsf s GLU 72 N -2.69 0.30 0.28 -2.82 2.02 -1.26 -3.83 118.70 110.69 2jsf s GLU 72 Ca -0.04 -0.42 0.13 0.00 0.02 0.00 0.00 54.97 54.66 2jsf s GLU 72 Cb 0.06 -0.09 0.72 0.00 0.10 0.00 0.00 34.13 34.93 2jsf s GLU 72 CO 0.45 0.01 1.32 1.17 0.02 0.00 0.00 175.26 178.24 2jsf n LYS 73 N 2.17 0.09 0.00 1.61 0.00 -1.26 -0.72 118.16 120.05 2jsf n LYS 73 Ca -0.19 0.56 0.00 0.00 0.00 0.00 0.00 58.31 58.68 2jsf n LYS 73 Cb 0.57 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.60 2jsf n LYS 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jsf n ASP 74 N -2.00 1.31 -4.61 3.14 -0.08 -1.26 -3.81 116.55 109.24 2jsf n ASP 74 Ca -0.01 -1.63 -0.43 0.00 -1.51 0.00 0.00 54.79 51.21 2jsf n ASP 74 Cb 0.22 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.66 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 -0.63 6.34 -0.11 1.67 0.15 0.10 -4.70 113.70 116.53 2jsf s SER 75 Ca 0.00 1.11 -0.29 0.00 0.70 0.00 0.00 55.95 57.47 2jsf s SER 75 Cb 0.00 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 2jsf s SER 75 CO 0.00 -1.37 2.12 -2.65 1.20 0.00 0.00 173.24 172.53 2jsf n PRO 76 N 7.91 2.36 -3.67 5.44 -0.02 -1.26 -4.07 135.00 141.69 2jsf n PRO 76 Ca 0.18 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 62.11 2jsf n PRO 76 Cb 0.47 -3.14 -0.04 0.00 -0.02 0.00 0.00 33.50 30.77 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 6.64 5.18 -0.13 -1.45 1.01 0.48 -4.75 120.40 127.38 2jsf s VAL 77 Ca 0.96 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2jsf s VAL 77 Cb -0.38 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2jsf s VAL 77 CO 0.38 -0.01 -0.14 0.20 0.00 0.00 0.00 175.10 175.54 2jsf s ASN 78 N -2.60 3.96 -0.23 3.32 0.01 -1.24 0.05 114.94 118.21 2jsf s ASN 78 Ca 0.40 -0.34 -0.03 0.00 -0.71 0.00 0.00 52.86 52.18 2jsf s ASN 78 Cb -0.12 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.95 2jsf s ASN 78 CO 0.26 0.17 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.34 2jsf s ILE 79 N 0.34 3.25 -0.47 0.60 -1.09 0.16 -4.76 121.20 119.23 2jsf s ILE 79 Ca -0.11 -0.66 -0.18 0.00 -2.23 0.00 0.00 60.65 57.46 2jsf s ILE 79 Cb -0.16 -2.54 0.04 0.00 -1.58 0.00 0.00 42.46 38.23 2jsf s ILE 79 CO 0.06 0.34 0.52 -0.70 -1.23 0.00 0.00 174.94 173.93 2jsf s GLU 80 N 1.44 3.10 0.13 2.79 2.56 -1.24 -0.99 118.70 126.49 2jsf s GLU 80 Ca 0.04 -0.87 0.06 0.00 0.00 0.00 0.00 54.97 54.20 2jsf s GLU 80 Cb -0.15 -4.04 -0.04 0.00 2.00 0.00 0.00 34.13 31.90 2jsf s GLU 80 CO -0.03 -1.04 -0.14 0.00 -0.56 0.00 0.00 175.26 173.48 2jsf s ALA 81 N 2.32 1.54 -0.49 6.30 0.00 -0.18 0.27 121.76 131.52 2jsf s ALA 81 Ca 0.13 -1.34 -0.15 0.00 0.00 0.00 0.00 51.96 50.60 2jsf s ALA 81 Cb -0.19 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 22.96 2jsf s ALA 81 CO 0.12 0.09 0.42 -2.00 0.00 0.00 0.00 175.76 174.39 2jsf s GLU 82 N -2.83 2.93 0.50 0.00 2.56 0.73 -0.26 118.70 122.34 2jsf s GLU 82 Ca 0.11 -1.49 -0.18 0.00 0.00 0.00 0.00 54.97 53.40 2jsf s GLU 82 Cb -0.04 -4.15 -0.08 0.00 2.00 0.00 0.00 34.13 31.86 2jsf s GLU 82 CO 0.03 -1.13 1.00 -1.25 -0.56 0.00 0.00 175.26 173.36 2jsf s PRO 83 N 1.60 3.85 -0.02 4.30 0.04 -1.26 0.25 135.00 143.76 2jsf s PRO 83 Ca 0.04 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 2jsf s PRO 83 Cb -0.26 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2jsf s PRO 83 CO 0.05 -0.36 1.45 -1.25 0.04 0.00 0.00 177.00 176.93 2jsf s PRO 84 N -3.67 4.25 -0.47 0.56 0.04 -1.26 -4.86 135.00 129.58 2jsf s PRO 84 Ca 0.62 2.00 -0.44 0.00 0.04 0.00 0.00 61.00 63.23 2jsf s PRO 84 Cb -0.12 -3.67 -0.18 0.00 0.04 0.00 0.00 34.50 30.57 2jsf s PRO 84 CO 0.25 -0.65 1.99 1.19 0.04 0.00 0.00 177.00 179.82 2jsf n PHE 85 N 5.82 1.40 0.00 0.56 3.01 -1.26 -4.42 117.46 122.56 2jsf n PHE 85 Ca 0.14 0.81 0.00 0.00 1.01 0.00 0.00 57.45 59.41 2jsf n PHE 85 Cb 0.43 -2.31 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 2jsf n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jsf n GLY 86 N 6.36 0.56 3.74 1.37 0.00 -0.59 -4.86 105.19 111.77 2jsf n GLY 86 Ca 0.46 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 7.35 -0.05 1.61 1.01 -1.26 0.10 116.67 121.43 2jsf s ASP 87 Ca 0.00 2.09 -0.29 0.00 0.71 0.00 0.00 52.55 55.07 2jsf s ASP 87 Cb 0.00 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.38 2jsf s ASP 87 CO 0.00 -0.13 0.63 -0.44 0.21 0.00 0.00 175.17 175.44 2jsf s SER 88 N -0.48 -0.59 -0.29 0.27 0.01 -0.19 -4.88 113.70 107.56 2jsf s SER 88 Ca 0.46 0.63 0.02 0.00 1.31 0.00 0.00 55.95 58.38 2jsf s SER 88 Cb -0.29 0.51 0.08 0.00 0.21 0.00 0.00 66.02 66.53 2jsf s SER 88 CO 0.36 -0.58 0.01 -0.31 0.41 0.00 0.00 173.24 173.12 2jsf s TYR 89 N -1.20 2.82 -0.45 2.43 1.51 -1.25 0.25 117.35 121.46 2jsf s TYR 89 Ca -0.11 -2.25 -0.28 0.00 -1.01 0.00 0.00 57.07 53.42 2jsf s TYR 89 Cb -0.01 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 2jsf s TYR 89 CO 0.09 -0.87 1.51 0.42 -1.11 0.00 0.00 175.55 175.59 2jsf s ILE 90 N 1.24 3.76 0.18 2.71 1.09 0.70 -1.49 121.20 129.39 2jsf s ILE 90 Ca 0.03 0.73 -0.10 0.00 -1.10 0.00 0.00 60.65 60.21 2jsf s ILE 90 Cb -0.19 -4.16 -0.07 0.00 -1.06 0.00 0.00 42.46 36.99 2jsf s ILE 90 CO -0.11 -0.83 0.50 -0.63 -0.10 0.00 0.00 174.94 173.78 2jsf s ILE 91 N 6.10 4.98 -0.00 2.92 1.01 0.18 -0.33 121.20 136.05 2jsf s ILE 91 Ca 0.62 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.77 2jsf s ILE 91 Cb -0.14 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2jsf s ILE 91 CO 0.30 0.06 -0.09 -0.63 0.00 0.00 0.00 174.94 174.58 2jsf s ILE 92 N -1.66 0.70 0.00 2.92 1.01 -0.64 -1.30 121.20 122.22 2jsf s ILE 92 Ca 0.42 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2jsf s ILE 92 Cb -0.12 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.75 2jsf s ILE 92 CO 0.21 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2jsf n GLY 93 N 2.77 -1.62 3.34 6.18 0.00 -0.46 0.28 105.19 115.68 2jsf n GLY 93 Ca -0.14 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 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 1.98 0.00 1.61 -7.23 -1.26 -4.37 120.40 111.12 2jsf s VAL 94 Ca 0.00 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2jsf s VAL 94 Cb 0.00 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.17 2jsf s VAL 94 CO 0.00 0.02 0.00 -0.62 -0.31 0.00 0.00 175.10 174.19 2jsf n GLU 95 N 1.02 0.00 -0.80 4.82 1.02 -1.26 -0.05 120.64 125.40 2jsf n GLU 95 Ca -0.19 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.72 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 -3.41 0.01 -0.52 3.49 -0.04 -1.26 -2.05 135.00 131.21 2jsf n PRO 96 Ca 0.00 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 2jsf n PRO 96 Cb 0.00 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 4.52 0.76 3.29 0.55 0.00 -1.19 -4.60 105.19 108.53 2jsf n GLY 97 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.06 -0.18 -2.82 1.61 7.27 0.93 -4.27 117.38 117.86 2jsf n GLN 98 Ca 0.00 -0.02 -0.21 0.00 0.07 0.00 0.00 57.00 56.84 2jsf n GLN 98 Cb 0.00 -1.60 0.07 0.00 2.41 0.00 0.00 30.24 31.13 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 1.66 3.11 -0.23 1.69 1.43 0.81 -4.87 118.68 122.28 2jsf s LEU 99 Ca 0.52 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 2jsf s LEU 99 Cb -0.21 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.12 2jsf s LEU 99 CO 0.72 -1.50 0.62 -0.54 0.23 0.00 0.00 176.35 175.87 2jsf s LYS 100 N -4.85 0.71 -0.08 1.70 1.02 -1.26 -1.62 119.74 115.36 2jsf s LYS 100 Ca 0.63 0.89 -0.03 0.00 0.02 0.00 0.00 55.97 57.48 2jsf s LYS 100 Cb -0.06 0.32 0.04 0.00 -0.52 0.00 0.00 37.83 37.61 2jsf s LYS 100 CO 0.41 -0.09 0.10 -0.51 -0.92 0.00 0.00 175.35 174.33 2jsf s LEU 101 N 0.48 0.11 -0.08 3.17 1.02 0.55 -4.92 118.68 119.01 2jsf s LEU 101 Ca -0.01 0.03 -0.23 0.00 0.02 0.00 0.00 54.13 53.94 2jsf s LEU 101 Cb -0.05 -0.03 -0.04 0.00 0.02 0.00 0.00 46.19 46.10 2jsf s LEU 101 CO -0.01 -0.27 0.67 0.21 0.02 0.00 0.00 176.35 176.96 2jsf s ASN 102 N 2.20 6.93 -0.11 2.29 3.04 -1.26 0.25 114.94 128.29 2jsf s ASN 102 Ca 0.04 1.12 0.03 0.00 0.04 0.00 0.00 52.86 54.10 2jsf s ASN 102 Cb -0.13 -2.39 0.00 0.00 -1.54 0.00 0.00 41.25 37.19 2jsf s ASN 102 CO -0.05 -0.11 -0.23 0.86 -3.04 0.00 0.00 177.10 174.54 2jsf s TRP 103 N 0.82 2.60 0.02 0.43 -0.00 0.70 -4.94 118.94 118.57 2jsf s TRP 103 Ca 0.35 -1.06 -0.18 0.00 -0.00 0.00 0.00 56.10 55.21 2jsf s TRP 103 Cb -0.17 -1.74 -0.06 0.00 -0.00 0.00 0.00 33.47 31.50 2jsf s TRP 103 CO 0.17 -0.43 0.50 0.12 -0.00 0.00 0.00 176.95 177.30 2jsf s PHE 104 N 0.42 3.74 0.00 5.86 5.36 -1.26 -1.02 117.98 131.08 2jsf s PHE 104 Ca -0.16 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 2jsf s PHE 104 Cb -0.17 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 2jsf s PHE 104 CO 0.07 0.55 0.00 1.63 -1.46 0.00 0.00 175.22 176.01 2jsf n LYS 105 N 2.05 0.00 -0.34 10.12 5.02 0.29 -1.29 118.16 134.01 2jsf n LYS 105 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2jsf n LYS 105 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2jsf n LYS 105 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2jsf n LYS 106 N 0.00 0.00 -3.93 1.97 2.85 -1.26 -1.54 118.16 116.25 2jsf n LYS 106 Ca 0.00 -0.34 -0.01 0.00 -1.05 0.00 0.00 58.31 56.91 2jsf n LYS 106 Cb 0.00 -0.20 0.02 0.00 -0.65 0.00 0.00 35.03 34.19 2jsf n LYS 106 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2jsf s GLY 107 N -0.28 0.02 -0.02 2.58 0.00 -0.41 -4.96 107.32 104.25 2jsf s GLY 107 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 44.72 44.50 2jsf s GLY 107 CO 0.00 3.82 -0.05 -1.26 0.00 0.00 0.00 173.10 175.61 2jsf n SER 108 N -1.17 0.32 -3.47 1.64 2.88 -1.26 -4.05 113.62 108.50 2jsf n SER 108 Ca -0.00 0.05 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 2jsf n SER 108 Cb 0.59 -0.47 0.03 0.00 -0.75 0.00 0.00 64.21 63.60 2jsf n SER 108 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jsf n SER 109 N -2.82 -5.76 0.05 -3.46 2.88 -1.26 -4.88 113.62 98.37 2jsf n SER 109 Ca -0.02 -0.25 -0.13 0.00 -1.33 0.00 0.00 58.87 57.14 2jsf n SER 109 Cb 0.08 -2.28 -0.14 0.00 -0.75 0.00 0.00 64.21 61.12 2jsf n SER 109 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jsf h LEU 110 N 1.49 0.24 -7.40 2.46 6.46 -2.06 -3.44 115.31 113.06 2jsf h LEU 110 Ca -0.49 -0.34 -0.47 0.00 -0.12 0.00 0.00 57.88 56.46 2jsf h LEU 110 Cb 1.34 -0.08 -0.39 0.00 -0.73 0.00 0.00 40.66 40.80 2jsf h LEU 110 CO 0.26 1.28 -0.77 -1.61 -0.62 0.00 0.00 178.44 176.98 2jsf s GLU 111 N -2.63 0.66 1.45 1.25 0.41 -1.26 -5.14 118.70 113.44 2jsf s GLU 111 Ca -0.06 -0.12 -0.23 0.00 -0.41 0.00 0.00 54.97 54.15 2jsf s GLU 111 Cb 0.08 -1.46 0.38 0.00 -1.78 0.00 0.00 34.13 31.35 2jsf s GLU 111 CO 0.84 -0.44 0.90 -3.38 -0.49 0.00 0.00 175.26 172.70 2jsf s HIS 112 N 1.92 -0.76 -0.28 1.61 -3.43 -1.26 -5.06 115.29 108.03 2jsf s HIS 112 Ca 0.03 0.60 -0.20 0.00 -0.80 0.00 0.00 55.06 54.69 2jsf s HIS 112 Cb -0.14 -2.82 0.09 0.00 -1.43 0.00 0.00 32.58 28.27 2jsf s HIS 112 CO -0.07 -5.14 0.75 -3.38 -2.00 0.00 0.00 174.74 164.91 2jsf s HIS 113 N -2.17 -0.89 0.74 0.38 -3.43 -1.26 -5.15 115.29 103.51 2jsf s HIS 113 Ca 0.68 1.91 -0.16 0.00 -0.80 0.00 0.00 55.06 56.70 2jsf s HIS 113 Cb -0.14 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 31.49 2jsf s HIS 113 CO 0.58 -0.43 0.96 0.72 -2.00 0.00 0.00 174.74 174.56 2jsf n HIS 114 N 3.55 0.60 -3.56 0.38 8.25 -1.26 -5.02 115.22 118.17 2jsf n HIS 114 Ca -0.17 0.39 -0.09 0.00 -0.26 0.00 0.00 57.72 57.58 2jsf n HIS 114 Cb 0.57 -2.07 -0.04 0.00 1.12 0.00 0.00 29.99 29.58 2jsf n HIS 114 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jsf s HIS 115 N -1.87 -0.33 -0.26 4.41 -3.43 -1.26 -5.08 115.29 107.47 2jsf s HIS 115 Ca 0.72 0.44 0.08 0.00 -0.80 0.00 0.00 55.06 55.51 2jsf s HIS 115 Cb -0.33 0.48 0.27 0.00 -1.43 0.00 0.00 32.58 31.57 2jsf s HIS 115 CO 0.51 -0.37 1.21 -2.39 -2.00 0.00 0.00 174.74 171.70 2jsf n HIS 116 N 0.37 -1.44 1.17 0.38 1.44 -1.26 -5.36 115.22 110.52 2jsf n HIS 116 Ca -0.08 -1.21 0.09 0.00 -2.01 0.00 0.00 57.72 54.51 2jsf n HIS 116 Cb 0.59 1.28 0.56 0.00 0.12 0.00 0.00 29.99 32.53 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11