#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 2.42 -2.62 6.12 9.92 -1.26 -4.86 116.55 126.26 2jsf n ASP 2 Ca 0.00 -2.67 -0.11 0.00 -0.53 0.00 0.00 54.79 51.48 2jsf n ASP 2 Cb 0.00 -0.47 0.03 0.00 -0.64 0.00 0.00 41.12 40.04 2jsf n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2jsf n LYS 3 N -0.46 1.84 0.00 -1.24 4.01 -1.26 -5.07 118.16 115.98 2jsf n LYS 3 Ca 0.17 -3.59 0.00 0.00 -0.51 0.00 0.00 58.31 54.38 2jsf n LYS 3 Cb 0.82 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 2jsf n LYS 3 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2jsf n LEU 4 N -0.30 0.00 0.00 -0.35 4.77 -1.26 -5.00 117.00 114.86 2jsf n LEU 4 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2jsf n LEU 4 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2jsf n LEU 4 CO 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 2jsf n GLN 5 N 0.00 0.00 -2.74 3.23 6.02 -1.26 -5.05 117.38 117.58 2jsf n GLN 5 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 2jsf n GLN 5 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jsf s LEU 6 N -1.46 3.58 0.00 1.08 1.02 -1.26 -5.01 118.68 116.64 2jsf s LEU 6 Ca 0.00 0.70 0.00 0.00 0.02 0.00 0.00 54.13 54.85 2jsf s LEU 6 Cb 0.00 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.62 2jsf s LEU 6 CO 0.00 -0.68 0.18 0.29 0.02 0.00 0.00 176.35 176.15 2jsf n LYS 7 N -2.24 4.09 -2.74 1.70 4.76 -1.26 -4.81 118.16 117.67 2jsf n LYS 7 Ca 0.01 -0.18 -0.09 0.00 -2.87 0.00 0.00 58.31 55.19 2jsf n LYS 7 Cb 0.56 -0.67 0.09 0.00 -1.84 0.00 0.00 35.03 33.17 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jsf n GLY 8 N 0.64 1.29 4.68 0.72 0.00 -1.26 -5.14 105.19 106.11 2jsf n GLY 8 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.20 -0.42 -3.60 1.61 2.81 -1.26 -4.89 117.12 111.16 2jsf n MET 9 Ca 0.03 0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 55.98 2jsf n MET 9 Cb 0.79 -0.51 -0.03 0.00 -0.71 0.00 0.00 33.22 32.76 2jsf n MET 9 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2jsf n SER 10 N -3.90 2.68 0.00 7.83 7.64 -1.26 -5.03 113.62 121.58 2jsf n SER 10 Ca 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2jsf n SER 10 Cb 0.10 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.19 0.00 -0.28 1.43 4.19 -1.26 -4.90 117.16 115.15 2jsf n TYR 11 Ca -0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.12 2jsf n TYR 11 Cb 0.47 -0.15 0.00 0.00 0.49 0.00 0.00 39.34 40.15 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 -1.91 0.13 -2.99 2.98 2.88 -1.26 -4.91 113.62 108.54 2jsf n SER 12 Ca 0.00 -0.51 -0.13 0.00 -1.33 0.00 0.00 58.87 56.90 2jsf n SER 12 Cb 0.00 0.19 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.19 -2.22 -1.51 -1.46 0.00 -1.26 -4.69 117.12 105.79 2jsf n MET 13 Ca 0.00 1.94 -0.47 0.00 -0.00 0.00 0.00 57.70 59.18 2jsf n MET 13 Cb 0.07 -5.02 -0.06 0.00 0.00 0.00 0.00 33.22 28.21 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 7.48 0.00 0.00 0.00 -2.24 -1.26 -4.20 114.28 114.06 2jsf n THR 15 Ca 0.38 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2jsf n THR 15 Cb 0.33 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.37 -3.21 3.14 3.38 0.00 -1.26 -4.51 105.19 104.09 2jsf n GLY 16 Ca 0.09 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2jsf n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jsf s LYS 17 N 0.00 0.73 -0.05 1.61 2.20 0.75 -3.47 119.74 121.52 2jsf s LYS 17 Ca 0.00 -1.07 0.06 0.00 -0.36 0.00 0.00 55.97 54.60 2jsf s LYS 17 Cb 0.00 -0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 35.93 2jsf s LYS 17 CO 0.00 0.05 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.75 2jsf s PHE 18 N -2.39 2.48 -0.25 4.03 0.40 -0.67 0.29 117.98 121.88 2jsf s PHE 18 Ca 0.02 -0.48 -0.06 0.00 -0.60 0.00 0.00 56.93 55.81 2jsf s PHE 18 Cb -0.03 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 2jsf s PHE 18 CO -0.01 -0.06 0.04 0.21 0.70 0.00 0.00 175.22 176.10 2jsf s LYS 19 N -0.43 3.53 0.12 0.44 2.20 -0.35 -4.62 119.74 120.62 2jsf s LYS 19 Ca 0.05 -0.55 -0.31 0.00 -0.36 0.00 0.00 55.97 54.79 2jsf s LYS 19 Cb -0.12 -3.24 -0.10 0.00 -1.51 0.00 0.00 37.83 32.86 2jsf s LYS 19 CO 0.01 -0.22 1.86 0.08 -0.36 0.00 0.00 175.35 176.72 2jsf s VAL 20 N 1.57 2.54 -0.13 4.02 1.01 -1.26 0.55 120.40 128.69 2jsf s VAL 20 Ca 0.06 0.01 0.17 0.00 0.00 0.00 0.00 61.98 62.23 2jsf s VAL 20 Cb -0.15 -3.01 -0.22 0.00 0.00 0.00 0.00 36.38 33.00 2jsf s VAL 20 CO 0.02 -0.00 0.47 0.52 0.00 0.00 0.00 175.10 176.10 2jsf n VAL 21 N 4.81 1.14 -3.64 2.92 0.31 0.43 -4.81 118.33 119.49 2jsf n VAL 21 Ca 0.18 -0.74 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 2jsf n VAL 21 Cb 0.38 -0.56 -0.07 0.00 -0.91 0.00 0.00 33.84 32.68 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 -2.81 0.73 0.97 5.55 2.20 0.06 -4.95 119.74 121.48 2jsf s LYS 22 Ca -0.07 1.11 -0.14 0.00 -0.36 0.00 0.00 55.97 56.51 2jsf s LYS 22 Cb 0.08 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 2jsf s LYS 22 CO 0.84 -0.13 0.02 -1.91 -0.36 0.00 0.00 175.35 173.80 2jsf n GLU 23 N 3.75 -0.23 -1.69 4.03 2.13 -1.26 -2.83 120.64 124.54 2jsf n GLU 23 Ca -0.18 -0.04 -0.44 0.00 0.66 0.00 0.00 57.16 57.16 2jsf n GLU 23 Cb 0.57 -1.59 -0.03 0.00 0.27 0.00 0.00 31.44 30.67 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 -3.29 0.63 -3.71 6.31 2.08 -1.25 -4.52 119.36 115.60 2jsf n ILE 24 Ca 0.04 -0.16 -0.22 0.00 0.56 0.00 0.00 62.75 62.97 2jsf n ILE 24 Cb 0.55 -1.65 -0.04 0.00 -0.75 0.00 0.00 39.64 37.74 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 0.33 3.93 -0.09 -1.39 0.00 0.76 -4.78 121.76 120.52 2jsf s ALA 25 Ca 0.71 -1.93 0.02 0.00 0.00 0.00 0.00 51.96 50.76 2jsf s ALA 25 Cb -0.61 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2jsf s ALA 25 CO 0.45 -0.20 -0.15 -1.83 0.00 0.00 0.00 175.76 174.02 2jsf s GLU 26 N -4.07 2.94 0.60 0.00 1.03 -1.26 0.28 118.70 118.22 2jsf s GLU 26 Ca 0.46 -0.72 0.00 0.00 0.03 0.00 0.00 54.97 54.74 2jsf s GLU 26 Cb -0.02 -2.46 0.06 0.00 -0.80 0.00 0.00 34.13 30.91 2jsf s GLU 26 CO 0.26 0.39 0.85 0.95 -1.33 0.00 0.00 175.26 176.38 2jsf s THR 27 N -0.12 2.50 -0.34 1.83 -4.23 0.57 -4.86 115.64 110.99 2jsf s THR 27 Ca -0.02 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2jsf s THR 27 Cb -0.14 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.07 2jsf s THR 27 CO 0.04 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.31 2jsf n GLN 28 N -2.50 1.74 0.00 3.99 1.13 -1.26 -3.57 117.38 116.90 2jsf n GLN 28 Ca 0.10 -1.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.09 2jsf n GLN 28 Cb 0.60 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.42 2jsf n GLN 28 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2jsf n HIS 29 N 0.02 0.00 -0.20 1.08 8.25 -1.26 -4.97 115.22 118.14 2jsf n HIS 29 Ca 0.17 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jsf n HIS 29 Cb 0.81 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.17 0.77 4.01 -1.41 0.00 -1.23 -5.07 105.19 102.09 2jsf n GLY 30 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.17 2.07 0.07 2.61 -4.23 -1.26 -4.27 115.64 108.46 2jsf s THR 31 Ca 0.00 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2jsf s THR 31 Cb 0.00 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 2jsf s THR 31 CO 0.00 0.00 -0.09 0.27 -0.54 0.00 0.00 174.62 174.26 2jsf s ILE 32 N -2.68 0.72 -0.09 2.99 -4.36 0.10 -0.31 121.20 117.56 2jsf s ILE 32 Ca 0.57 -1.38 0.03 0.00 -0.26 0.00 0.00 60.65 59.61 2jsf s ILE 32 Cb -0.05 -1.02 -0.01 0.00 1.25 0.00 0.00 42.46 42.63 2jsf s ILE 32 CO 0.36 -0.50 -0.21 -0.69 0.24 0.00 0.00 174.94 174.15 2jsf s VAL 33 N -2.02 2.40 -0.19 8.37 1.01 0.79 -0.69 120.40 130.07 2jsf s VAL 33 Ca -0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2jsf s VAL 33 Cb -0.06 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2jsf s VAL 33 CO -0.00 0.56 -0.16 -0.51 0.00 0.00 0.00 175.10 174.98 2jsf s ILE 34 N 0.13 2.42 -0.24 2.22 -1.16 0.10 0.27 121.20 124.95 2jsf s ILE 34 Ca -0.11 -0.82 -0.09 0.00 -0.51 0.00 0.00 60.65 59.13 2jsf s ILE 34 Cb -0.16 -2.05 -0.04 0.00 0.61 0.00 0.00 42.46 40.82 2jsf s ILE 34 CO 0.06 0.51 0.12 -0.60 -2.81 0.00 0.00 174.94 172.22 2jsf s ARG 35 N 1.34 3.92 0.12 3.50 3.52 -1.13 0.11 118.95 130.34 2jsf s ARG 35 Ca 0.05 -0.35 -0.09 0.00 -0.13 0.00 0.00 55.73 55.21 2jsf s ARG 35 Cb -0.13 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.83 2jsf s ARG 35 CO -0.10 0.01 0.24 0.14 -0.81 0.00 0.00 175.30 174.77 2jsf s VAL 36 N 1.16 0.11 -0.22 7.11 -7.23 0.10 0.16 120.40 121.59 2jsf s VAL 36 Ca 0.06 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 2jsf s VAL 36 Cb -0.14 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 2jsf s VAL 36 CO 0.05 -0.50 0.03 -1.58 -0.31 0.00 0.00 175.10 172.79 2jsf s GLN 37 N -3.90 3.65 0.04 4.82 0.74 0.19 0.16 119.66 125.36 2jsf s GLN 37 Ca 0.09 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 2jsf s GLN 37 Cb 0.04 -3.18 -0.08 0.00 1.10 0.00 0.00 33.01 30.88 2jsf s GLN 37 CO -0.07 -0.06 1.81 -0.47 -0.55 0.00 0.00 175.29 175.94 2jsf s TYR 38 N 1.22 1.85 -0.41 1.67 5.04 -0.98 -1.21 117.35 124.53 2jsf s TYR 38 Ca 0.04 -0.07 -0.00 0.00 -2.44 0.00 0.00 57.07 54.60 2jsf s TYR 38 Cb -0.15 -4.10 0.11 0.00 0.35 0.00 0.00 41.96 38.18 2jsf s TYR 38 CO 0.02 -4.70 0.17 -1.21 -1.34 0.00 0.00 175.55 168.50 2jsf s GLU 39 N 3.64 1.86 0.00 4.97 0.41 0.83 -3.66 118.70 126.75 2jsf s GLU 39 Ca 0.81 -1.95 0.00 0.00 -0.41 0.00 0.00 54.97 53.42 2jsf s GLU 39 Cb -0.41 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.49 2jsf s GLU 39 CO 0.36 -1.04 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 2jsf n GLY 40 N 4.29 -0.49 3.30 -1.39 0.00 -1.26 0.27 105.19 109.91 2jsf n GLY 40 Ca 0.01 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 5.68 0.00 1.61 1.11 -1.26 -4.72 116.67 115.09 2jsf s ASP 41 Ca 0.00 -1.36 0.00 0.00 0.18 0.00 0.00 52.55 51.37 2jsf s ASP 41 Cb 0.00 -2.00 0.00 0.00 1.07 0.00 0.00 42.92 41.99 2jsf s ASP 41 CO 0.00 -0.50 0.00 0.61 1.18 0.00 0.00 175.17 176.46 2jsf n GLY 42 N 4.95 0.12 7.00 0.21 0.00 -1.26 -4.55 105.19 111.66 2jsf n GLY 42 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.41 -0.03 -4.52 1.61 2.88 -1.24 -3.71 113.62 107.20 2jsf n SER 43 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2jsf n SER 43 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.26 -3.96 -1.46 -0.02 -1.07 -4.30 135.00 124.45 2jsf n PRO 44 Ca 0.00 -0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.12 2jsf n PRO 44 Cb 0.00 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 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 -3.39 1.50 -0.10 0.00 1.02 -1.26 0.71 119.74 118.23 2jsf s LYS 46 Ca 0.21 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.69 2jsf s LYS 46 Cb -0.02 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 2jsf s LYS 46 CO 0.12 -1.72 -0.19 0.42 -0.92 0.00 0.00 175.35 173.06 2jsf s ILE 47 N -3.45 1.73 0.48 2.17 -1.09 0.71 -1.46 121.20 120.30 2jsf s ILE 47 Ca 0.67 -0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 58.04 2jsf s ILE 47 Cb -0.07 -1.53 -0.07 0.00 -1.58 0.00 0.00 42.46 39.21 2jsf s ILE 47 CO 0.48 0.49 1.32 -2.84 -1.23 0.00 0.00 174.94 173.15 2jsf s PRO 48 N 0.58 3.53 -0.10 2.79 0.02 -1.26 -3.67 135.00 136.88 2jsf s PRO 48 Ca -0.15 2.15 -0.22 0.00 0.02 0.00 0.00 61.00 62.80 2jsf s PRO 48 Cb -0.17 -2.46 0.05 0.00 0.02 0.00 0.00 34.50 31.95 2jsf s PRO 48 CO 0.05 -0.85 0.53 0.12 -0.33 0.00 0.00 177.00 176.52 2jsf s PHE 49 N -1.33 -0.51 -0.28 6.54 5.36 -1.26 -1.54 117.98 124.96 2jsf s PHE 49 Ca 0.65 1.04 -0.02 0.00 -0.96 0.00 0.00 56.93 57.64 2jsf s PHE 49 Cb -0.38 0.25 0.16 0.00 -0.34 0.00 0.00 43.02 42.71 2jsf s PHE 49 CO 0.46 -0.43 0.52 -1.83 -1.46 0.00 0.00 175.22 172.49 2jsf s GLU 50 N -0.65 0.49 -0.98 10.12 1.03 -0.60 -4.95 118.70 123.17 2jsf s GLU 50 Ca -0.07 0.89 -0.02 0.00 0.03 0.00 0.00 54.97 55.80 2jsf s GLU 50 Cb -0.03 0.24 0.30 0.00 -0.80 0.00 0.00 34.13 33.84 2jsf s GLU 50 CO 0.05 -0.58 1.98 -0.89 -1.33 0.00 0.00 175.26 174.49 2jsf n ILE 51 N 5.41 5.19 0.18 1.83 5.41 -1.26 -0.47 119.36 135.65 2jsf n ILE 51 Ca -0.03 -5.21 0.00 0.00 1.00 0.00 0.00 62.75 58.51 2jsf n ILE 51 Cb 0.50 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 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 0.01 0.00 0.00 0.38 2.81 -1.24 -4.65 117.12 114.42 2jsf n MET 52 Ca 0.51 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 2jsf n MET 52 Cb 0.26 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.77 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 -3.30 0.00 -0.36 7.83 2.03 -1.26 -3.88 116.55 117.60 2jsf n ASP 53 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2jsf n ASP 53 Cb 0.00 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 40.95 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 1.11 -2.69 -2.67 4.77 -1.26 -4.49 117.00 111.76 2jsf n LEU 54 Ca 0.00 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.51 2jsf n LEU 54 Cb 0.00 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2jsf n LEU 54 CO 0.00 0.21 0.47 -0.62 -1.33 0.00 0.00 177.39 176.12 2jsf n GLU 55 N -0.10 0.33 -1.59 3.23 1.02 -1.25 -5.02 120.64 117.26 2jsf n GLU 55 Ca 0.18 -1.02 -0.35 0.00 -0.02 0.00 0.00 57.16 55.96 2jsf n GLU 55 Cb 0.27 -0.62 0.04 0.00 -0.02 0.00 0.00 31.44 31.11 2jsf n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jsf n LYS 56 N 1.54 2.61 0.00 3.49 5.02 -1.26 -4.21 118.16 125.35 2jsf n LYS 56 Ca 0.04 -3.13 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 2jsf n LYS 56 Cb 0.68 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.39 3.16 0.00 1.97 3.00 -1.26 -5.06 116.66 118.09 2jsf n ARG 57 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.39 2jsf n ARG 57 Cb 0.44 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 32.16 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 -1.18 0.00 -3.62 -0.14 8.25 -1.26 -5.06 115.22 112.21 2jsf n HIS 58 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2jsf n HIS 58 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2jsf n HIS 58 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jsf s VAL 59 N 1.83 4.39 0.05 1.59 1.01 -1.26 -5.05 120.40 122.96 2jsf s VAL 59 Ca 0.00 -3.66 0.05 0.00 0.00 0.00 0.00 61.98 58.37 2jsf s VAL 59 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2jsf s VAL 59 CO 0.00 -1.06 -0.09 -0.76 0.00 0.00 0.00 175.10 173.19 2jsf s LEU 60 N -1.10 3.06 0.55 3.92 1.43 -1.26 -5.01 118.68 120.27 2jsf s LEU 60 Ca 0.26 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2jsf s LEU 60 Cb -0.09 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2jsf s LEU 60 CO -0.11 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.32 2jsf n GLY 61 N 1.17 -2.93 3.33 -3.19 0.00 -1.26 -4.79 105.19 97.51 2jsf n GLY 61 Ca -0.14 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.42 1.29 -0.22 1.61 3.00 0.50 -4.90 118.95 115.82 2jsf s ARG 62 Ca 0.00 -1.61 0.01 0.00 -1.00 0.00 0.00 55.73 53.13 2jsf s ARG 62 Cb 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 34.95 34.16 2jsf s ARG 62 CO 0.00 0.05 -0.09 -1.17 0.00 0.00 0.00 175.30 174.10 2jsf s LEU 63 N -3.29 2.46 0.34 -0.88 1.98 -1.26 0.26 118.68 118.29 2jsf s LEU 63 Ca 0.24 -1.02 0.16 0.00 -2.89 0.00 0.00 54.13 50.61 2jsf s LEU 63 Cb 0.03 -1.23 0.57 0.00 0.66 0.00 0.00 46.19 46.22 2jsf s LEU 63 CO 0.06 -0.18 1.69 0.40 -1.89 0.00 0.00 176.35 176.44 2jsf h ILE 64 N 6.52 1.06 -0.62 6.68 1.08 0.22 -2.57 117.51 129.89 2jsf h ILE 64 Ca -0.24 -1.71 -0.36 0.00 -0.39 0.00 0.00 64.86 62.17 2jsf h ILE 64 Cb 1.08 2.00 -0.21 0.00 -3.07 0.00 0.00 36.82 36.62 2jsf h ILE 64 CO 0.45 0.44 0.12 0.41 -0.69 0.00 0.00 178.15 178.89 2jsf n THR 65 N -3.62 2.84 0.00 -0.27 -1.04 -0.97 -4.95 114.28 106.27 2jsf n THR 65 Ca -0.01 -2.75 0.00 0.00 -2.04 0.00 0.00 64.05 59.26 2jsf n THR 65 Cb 0.54 -0.54 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 -1.07 0.00 -3.66 12.58 0.31 -0.97 0.02 118.33 125.55 2jsf n VAL 66 Ca 0.44 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.56 2jsf n VAL 66 Cb 1.13 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 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 -5.42 -3.42 4.52 2.85 -1.26 -4.88 115.26 107.65 2jsf n ASN 67 Ca 0.00 -0.81 -0.11 0.00 -0.11 0.00 0.00 54.58 53.55 2jsf n ASN 67 Cb 0.00 -2.47 0.11 0.00 1.24 0.00 0.00 39.78 38.66 2jsf n ASN 67 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2jsf n PRO 68 N -2.64 -0.88 -3.86 1.20 -0.01 0.10 -3.62 135.00 125.30 2jsf n PRO 68 Ca -0.24 -0.54 -0.12 0.00 -0.01 0.00 0.00 63.50 62.59 2jsf n PRO 68 Cb 0.65 -1.15 -0.14 0.00 -0.01 0.00 0.00 33.50 32.84 2jsf n PRO 68 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 2jsf s ILE 69 N -1.75 -0.00 0.62 4.25 -1.09 -1.26 0.25 121.20 122.22 2jsf s ILE 69 Ca 0.25 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 2jsf s ILE 69 Cb -0.04 -0.05 0.07 0.00 -1.58 0.00 0.00 42.46 40.85 2jsf s ILE 69 CO 0.21 0.01 0.87 -0.69 -1.23 0.00 0.00 174.94 174.10 2jsf s VAL 70 N 0.08 2.46 0.00 2.92 1.01 0.22 -4.86 120.40 122.23 2jsf s VAL 70 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2jsf s VAL 70 Cb -0.01 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2jsf s VAL 70 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.10 175.51 2jsf n THR 71 N -2.55 0.00 0.00 3.92 -1.04 -1.26 -2.33 114.28 111.02 2jsf n THR 71 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2jsf n THR 71 Cb 0.60 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 -1.54 0.00 0.00 -2.82 -0.58 -1.26 -2.60 120.64 111.84 2jsf n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jsf n GLU 72 Cb 0.18 -0.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.64 2jsf n GLU 72 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2jsf n LYS 73 N -2.51 0.00 -0.26 3.49 0.00 -1.26 -3.66 118.16 113.97 2jsf n LYS 73 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.36 2jsf n LYS 73 Cb 0.25 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.45 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 0.00 2.33 -4.59 3.14 2.03 -1.24 -2.33 116.55 115.88 2jsf n ASP 74 Ca 0.00 -2.13 -0.43 0.00 0.52 0.00 0.00 54.79 52.75 2jsf n ASP 74 Cb 0.00 -0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 40.03 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 -0.82 6.12 -0.18 1.67 0.15 -1.26 -4.66 113.70 114.72 2jsf s SER 75 Ca 0.25 0.89 -0.31 0.00 0.70 0.00 0.00 55.95 57.48 2jsf s SER 75 Cb 0.15 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.84 2jsf s SER 75 CO 0.14 -1.60 2.10 -0.81 1.20 0.00 0.00 173.24 174.27 2jsf n PRO 76 N 8.31 1.96 -4.00 5.44 -0.04 -1.26 -4.13 135.00 141.28 2jsf n PRO 76 Ca 0.18 0.62 -0.32 0.00 -0.04 0.00 0.00 63.50 63.95 2jsf n PRO 76 Cb 0.48 -2.91 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 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 6.59 4.97 -0.10 0.52 1.01 0.41 -4.75 120.40 129.04 2jsf s VAL 77 Ca 0.99 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 2jsf s VAL 77 Cb -0.54 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2jsf s VAL 77 CO 0.43 0.22 0.02 0.20 0.00 0.00 0.00 175.10 175.97 2jsf s ASN 78 N -2.17 5.33 -0.19 3.32 0.01 -1.24 0.01 114.94 120.00 2jsf s ASN 78 Ca 0.29 0.14 -0.00 0.00 -0.71 0.00 0.00 52.86 52.58 2jsf s ASN 78 Cb -0.12 -1.59 0.02 0.00 0.41 0.00 0.00 41.25 39.96 2jsf s ASN 78 CO 0.21 0.34 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.36 2jsf s ILE 79 N -0.67 2.38 -0.43 0.60 1.01 0.31 -4.78 121.20 119.62 2jsf s ILE 79 Ca 0.11 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 2jsf s ILE 79 Cb -0.12 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.33 2jsf s ILE 79 CO 0.02 0.48 0.55 -0.70 0.00 0.00 0.00 174.94 175.30 2jsf s GLU 80 N 1.33 3.21 0.08 2.79 2.56 -1.24 -0.73 118.70 126.69 2jsf s GLU 80 Ca 0.05 -0.53 0.08 0.00 0.00 0.00 0.00 54.97 54.56 2jsf s GLU 80 Cb -0.14 -3.95 -0.03 0.00 2.00 0.00 0.00 34.13 32.01 2jsf s GLU 80 CO -0.10 -0.93 -0.21 0.00 -0.56 0.00 0.00 175.26 173.45 2jsf s ALA 81 N 2.51 1.84 -0.60 6.30 0.00 0.13 0.22 121.76 132.16 2jsf s ALA 81 Ca 0.18 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 2jsf s ALA 81 Cb -0.15 -0.31 0.15 0.00 0.00 0.00 0.00 23.12 22.81 2jsf s ALA 81 CO 0.16 0.40 0.46 -2.00 0.00 0.00 0.00 175.76 174.78 2jsf s GLU 82 N -1.57 2.72 0.60 0.00 2.12 0.72 0.02 118.70 123.31 2jsf s GLU 82 Ca 0.08 -2.18 -0.16 0.00 0.36 0.00 0.00 54.97 53.07 2jsf s GLU 82 Cb -0.09 -3.95 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 2jsf s GLU 82 CO 0.03 -1.20 1.08 -1.25 -0.54 0.00 0.00 175.26 173.38 2jsf s PRO 83 N 0.62 3.21 0.00 4.30 0.04 -1.26 0.19 135.00 142.10 2jsf s PRO 83 Ca 0.12 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2jsf s PRO 83 Cb -0.21 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2jsf s PRO 83 CO -0.04 -0.91 0.76 -0.35 0.04 0.00 0.00 177.00 176.50 2jsf n PRO 84 N -1.97 0.00 -4.71 0.56 -0.04 -1.26 -4.85 135.00 122.73 2jsf n PRO 84 Ca 0.10 0.28 -0.31 0.00 -0.04 0.00 0.00 63.50 63.52 2jsf n PRO 84 Cb 0.52 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 2jsf n PRO 84 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jsf s PHE 85 N -2.02 2.02 -1.25 0.54 0.08 -1.26 -5.02 117.98 111.07 2jsf s PHE 85 Ca 0.00 -0.90 -0.18 0.00 0.12 0.00 0.00 56.93 55.97 2jsf s PHE 85 Cb 0.00 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2jsf s PHE 85 CO 0.00 0.26 1.97 0.41 -0.10 0.00 0.00 175.22 177.75 2jsf n GLY 86 N -1.17 2.97 0.00 4.36 0.00 0.36 -4.31 105.19 107.39 2jsf n GLY 86 Ca -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 8.38 0.00 -3.77 1.61 5.68 0.27 0.16 116.55 128.88 2jsf n ASP 87 Ca 0.49 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.64 2jsf n ASP 87 Cb 0.43 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.32 2jsf n ASP 87 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2jsf s SER 88 N 0.00 0.78 -0.29 -1.12 0.01 -0.61 -4.93 113.70 107.55 2jsf s SER 88 Ca 0.00 -1.51 0.01 0.00 1.31 0.00 0.00 55.95 55.77 2jsf s SER 88 Cb 0.00 0.49 0.06 0.00 0.21 0.00 0.00 66.02 66.78 2jsf s SER 88 CO 0.00 -1.00 -0.05 -0.31 0.41 0.00 0.00 173.24 172.30 2jsf s TYR 89 N -3.76 3.33 -0.44 2.43 2.02 -1.26 -0.78 117.35 118.89 2jsf s TYR 89 Ca 0.38 -2.26 -0.29 0.00 -0.37 0.00 0.00 57.07 54.53 2jsf s TYR 89 Cb 0.04 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2jsf s TYR 89 CO 0.19 -0.87 1.44 0.42 -1.57 0.00 0.00 175.55 175.16 2jsf s ILE 90 N 1.13 3.84 0.14 2.71 -1.09 0.17 -3.63 121.20 124.48 2jsf s ILE 90 Ca -0.05 0.83 0.03 0.00 -2.23 0.00 0.00 60.65 59.22 2jsf s ILE 90 Cb -0.20 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 2jsf s ILE 90 CO -0.04 -0.82 0.25 -0.63 -1.23 0.00 0.00 174.94 172.47 2jsf s ILE 91 N 5.72 5.19 0.02 2.92 1.01 0.38 0.26 121.20 136.70 2jsf s ILE 91 Ca 0.61 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 2jsf s ILE 91 Cb -0.13 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2jsf s ILE 91 CO 0.31 -0.06 -0.02 -0.63 0.00 0.00 0.00 174.94 174.54 2jsf s ILE 92 N -1.71 0.12 0.00 2.92 1.01 -0.78 -1.55 121.20 121.20 2jsf s ILE 92 Ca 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2jsf s ILE 92 Cb -0.11 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.01 2jsf s ILE 92 CO 0.28 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.30 2jsf n GLY 93 N 1.50 -0.93 3.25 6.18 0.00 -0.59 0.31 105.19 114.91 2jsf n GLY 93 Ca -0.23 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 2jsf n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jsf s VAL 94 N 0.00 1.26 0.11 1.61 -7.23 -1.25 -4.39 120.40 110.51 2jsf s VAL 94 Ca 0.00 -1.87 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 2jsf s VAL 94 Cb 0.00 -1.66 0.08 0.00 0.56 0.00 0.00 36.38 35.36 2jsf s VAL 94 CO 0.00 -0.57 0.81 -0.62 -0.31 0.00 0.00 175.10 174.41 2jsf n GLU 95 N 0.20 -0.15 -0.32 4.82 1.02 -1.26 0.30 120.64 125.25 2jsf n GLU 95 Ca -0.13 0.80 0.29 0.00 -0.02 0.00 0.00 57.16 58.10 2jsf n GLU 95 Cb 0.59 -1.19 0.54 0.00 -0.02 0.00 0.00 31.44 31.36 2jsf n GLU 95 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jsf h PRO 96 N 0.00 0.06 0.00 3.49 0.11 -1.87 -3.19 132.00 130.60 2jsf h PRO 96 Ca 0.16 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 2jsf h PRO 96 Cb 0.29 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 31.23 2jsf h PRO 96 CO -0.51 0.04 -0.33 0.41 -0.21 0.00 0.00 178.00 177.40 2jsf n GLY 97 N -1.29 1.17 3.89 -0.55 0.00 0.77 -4.93 105.19 104.25 2jsf n GLY 97 Ca 0.35 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2jsf n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsf s GLN 98 N 0.20 3.66 0.67 1.61 0.74 0.89 -1.67 119.66 125.76 2jsf s GLN 98 Ca 0.21 0.00 0.02 0.00 0.05 0.00 0.00 55.36 55.65 2jsf s GLN 98 Cb 0.38 -2.83 0.11 0.00 1.10 0.00 0.00 33.01 31.77 2jsf s GLN 98 CO -0.08 0.45 0.92 -0.51 -0.55 0.00 0.00 175.29 175.52 2jsf s LEU 99 N -2.61 3.03 -0.15 3.68 1.43 0.92 -4.83 118.68 120.14 2jsf s LEU 99 Ca 0.41 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 2jsf s LEU 99 Cb -0.12 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2jsf s LEU 99 CO 0.23 -1.68 0.30 -0.75 0.23 0.00 0.00 176.35 174.68 2jsf s LYS 100 N -4.98 0.19 0.00 1.70 2.20 -1.26 -1.87 119.74 115.72 2jsf s LYS 100 Ca 0.65 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 2jsf s LYS 100 Cb -0.06 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 2jsf s LYS 100 CO 0.42 -0.28 0.00 1.28 -0.36 0.00 0.00 175.35 176.41 2jsf n LEU 101 N 5.36 0.00 -3.64 5.43 4.32 0.74 -4.91 117.00 124.30 2jsf n LEU 101 Ca -0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.90 2jsf n LEU 101 Cb 0.50 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.26 2jsf n LEU 101 CO 0.02 0.00 1.16 0.54 -1.22 0.00 0.00 177.39 177.89 2jsf s ASN 102 N 0.10 -0.03 -0.05 -1.43 4.22 -1.25 0.46 114.94 116.94 2jsf s ASN 102 Ca 0.00 0.03 0.06 0.00 -2.14 0.00 0.00 52.86 50.81 2jsf s ASN 102 Cb 0.00 0.03 -0.01 0.00 1.28 0.00 0.00 41.25 42.55 2jsf s ASN 102 CO 0.00 -0.03 -0.24 0.86 -2.04 0.00 0.00 177.10 175.65 2jsf s TRP 103 N -1.13 2.36 -0.05 1.54 -0.00 0.04 -4.79 118.94 116.91 2jsf s TRP 103 Ca 0.09 -0.68 0.06 0.00 -0.00 0.00 0.00 56.10 55.57 2jsf s TRP 103 Cb -0.01 -1.55 -0.01 0.00 -0.00 0.00 0.00 33.47 31.91 2jsf s TRP 103 CO -0.07 -0.20 -0.23 -0.59 -0.00 0.00 0.00 176.95 175.86 2jsf s PHE 104 N -0.19 2.22 0.00 5.86 -0.12 -1.26 0.94 117.98 125.44 2jsf s PHE 104 Ca -0.02 -0.63 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 2jsf s PHE 104 Cb -0.13 -1.46 0.00 0.00 -0.63 0.00 0.00 43.02 40.80 2jsf s PHE 104 CO 0.03 -0.18 0.00 1.17 -0.05 0.00 0.00 175.22 176.19 2jsf n LYS 105 N 2.94 0.00 0.00 1.99 4.81 0.41 -4.80 118.16 123.51 2jsf n LYS 105 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2jsf n LYS 105 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 2jsf n LYS 105 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2jsf n LYS 106 N 0.00 3.38 0.00 1.64 2.85 -1.26 -0.49 118.16 124.28 2jsf n LYS 106 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2jsf n LYS 106 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2jsf n LYS 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jsf n GLY 107 N 5.00 0.83 2.51 2.58 0.00 -1.26 -4.80 105.19 110.06 2jsf n GLY 107 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2jsf n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jsf n SER 108 N 0.00 -1.62 -3.08 1.61 2.88 -1.26 -5.06 113.62 107.09 2jsf n SER 108 Ca 0.00 -2.94 0.04 0.00 -1.33 0.00 0.00 58.87 54.64 2jsf n SER 108 Cb 0.00 0.68 -0.00 0.00 -0.75 0.00 0.00 64.21 64.14 2jsf n SER 108 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jsf s SER 109 N -1.00 -0.84 0.00 -3.46 0.15 -1.26 -5.01 113.70 102.28 2jsf s SER 109 Ca 0.33 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2jsf s SER 109 Cb 0.16 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 2jsf s SER 109 CO -0.17 -0.13 0.34 0.00 1.20 0.00 0.00 173.24 174.48 2jsf n LEU 110 N 4.79 0.31 -1.74 3.45 -0.00 -1.26 -4.81 117.00 117.73 2jsf n LEU 110 Ca 0.08 -0.31 -0.18 0.00 -0.00 0.00 0.00 56.01 55.60 2jsf n LEU 110 Cb 0.58 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.07 2jsf n LEU 110 CO -0.11 0.08 0.39 1.21 -0.00 0.00 0.00 177.39 178.97 2jsf n GLU 111 N -0.05 3.02 -3.66 1.47 2.13 -1.26 -4.97 120.64 117.32 2jsf n GLU 111 Ca 0.00 -3.84 -0.08 0.00 0.66 0.00 0.00 57.16 53.90 2jsf n GLU 111 Cb 0.32 -2.13 -0.09 0.00 0.27 0.00 0.00 31.44 29.81 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 -3.53 -0.88 0.00 4.31 2.46 -1.26 -5.00 115.29 111.38 2jsf s HIS 112 Ca 0.50 1.70 0.00 0.00 0.47 0.00 0.00 55.06 57.73 2jsf s HIS 112 Cb 0.41 0.44 0.00 0.00 -0.13 0.00 0.00 32.58 33.30 2jsf s HIS 112 CO 0.01 -0.48 0.00 0.72 -2.47 0.00 0.00 174.74 172.52 2jsf n HIS 113 N 4.84 0.00 -1.37 3.88 8.25 -1.26 -5.14 115.22 124.42 2jsf n HIS 113 Ca -0.16 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.47 2jsf n HIS 113 Cb 0.53 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.57 2jsf n HIS 113 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jsf n HIS 114 N 0.00 -3.43 -1.70 4.41 8.25 -1.26 -4.47 115.22 117.02 2jsf n HIS 114 Ca 0.00 1.83 -0.31 0.00 -0.26 0.00 0.00 57.72 58.97 2jsf n HIS 114 Cb 0.00 -3.12 0.05 0.00 1.12 0.00 0.00 29.99 28.04 2jsf n HIS 114 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jsf n HIS 115 N -4.12 3.06 -1.88 4.41 1.44 -1.26 -5.01 115.22 111.86 2jsf n HIS 115 Ca -0.05 -2.70 -0.10 0.00 -2.01 0.00 0.00 57.72 52.86 2jsf n HIS 115 Cb 0.66 -0.96 0.06 0.00 0.12 0.00 0.00 29.99 29.87 2jsf n HIS 115 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jsf n HIS 116 N -0.78 -3.60 -0.67 -1.40 8.25 -1.26 -5.38 115.22 110.38 2jsf n HIS 116 Ca 0.54 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2jsf n HIS 116 Cb 0.72 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56