#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfx s LYS 2 N 0.00 3.28 0.09 2.12 2.20 -1.26 -2.66 119.74 123.50 2jfx s LYS 2 Ca 0.00 -0.70 0.05 0.00 -0.36 0.00 0.00 55.97 54.96 2jfx s LYS 2 Cb 0.00 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 2jfx s LYS 2 CO 0.00 -0.07 -0.13 0.96 -0.36 0.00 0.00 175.35 175.75 2jfx s ILE 3 N 1.08 1.09 -0.10 5.43 -4.36 -0.21 0.74 121.20 124.86 2jfx s ILE 3 Ca 0.00 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 58.92 2jfx s ILE 3 Cb -0.15 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 2jfx s ILE 3 CO -0.03 -0.34 -0.03 -0.83 0.24 0.00 0.00 174.94 173.95 2jfx s GLY 4 N -2.03 1.77 -0.19 6.27 0.00 -0.75 -0.17 107.32 112.22 2jfx s GLY 4 Ca 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 2jfx s GLY 4 CO 0.02 -0.44 -0.07 0.14 0.00 0.00 0.00 173.10 172.75 2jfx s VAL 5 N -0.47 3.26 -0.09 1.40 1.01 -0.48 -1.02 120.40 124.01 2jfx s VAL 5 Ca 0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2jfx s VAL 5 Cb -0.12 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2jfx s VAL 5 CO 0.02 0.46 -0.06 0.12 0.00 0.00 0.00 175.10 175.64 2jfx s PHE 6 N 1.13 2.96 0.15 5.22 5.36 -0.13 -0.56 117.98 132.10 2jfx s PHE 6 Ca 0.01 -0.08 -0.15 0.00 -0.96 0.00 0.00 56.93 55.75 2jfx s PHE 6 Cb -0.14 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.79 2jfx s PHE 6 CO -0.02 0.22 0.40 0.34 -1.46 0.00 0.00 175.22 174.71 2jfx s ASP 7 N -0.49 -0.18 0.47 6.13 2.15 -1.07 -0.19 116.67 123.50 2jfx s ASP 7 Ca 0.07 -0.45 0.14 0.00 0.43 0.00 0.00 52.55 52.75 2jfx s ASP 7 Cb -0.12 0.49 1.10 0.00 -0.30 0.00 0.00 42.92 44.09 2jfx s ASP 7 CO 0.02 -0.90 2.06 0.77 -0.17 0.00 0.00 175.17 176.95 2jfx h SER 8 N 2.37 0.04 0.00 -0.34 4.64 -1.91 -1.72 113.55 116.63 2jfx h SER 8 Ca -0.32 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2jfx h SER 8 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2jfx h SER 8 CO 0.45 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 2jfx n GLY 9 N -1.27 0.18 0.34 -0.77 0.00 -1.26 -1.84 105.19 100.58 2jfx n GLY 9 Ca -0.02 0.49 0.08 0.00 0.00 0.00 0.00 46.02 46.57 2jfx n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jfx n VAL 10 N 0.00 0.00 0.22 1.61 0.24 -1.26 -4.39 118.33 114.75 2jfx n VAL 10 Ca 0.00 -0.30 0.07 0.00 -2.04 0.00 0.00 64.34 62.07 2jfx n VAL 10 Cb 0.00 1.18 0.50 0.00 -1.47 0.00 0.00 33.84 34.05 2jfx n VAL 10 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2jfx h GLY 11 N 3.66 0.00 2.00 7.63 0.00 -1.95 -2.78 103.07 111.63 2jfx h GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jfx h GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2jfx n GLY 12 N -0.50 -0.73 0.22 4.60 0.00 -1.26 -2.43 105.19 105.09 2jfx n GLY 12 Ca -0.02 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2jfx n GLY 12 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jfx h PHE 13 N 0.00 0.00 0.00 1.61 0.05 -1.81 -1.21 116.94 115.57 2jfx h PHE 13 Ca 0.00 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.76 2jfx h PHE 13 Cb 0.11 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.05 2jfx h PHE 13 CO 0.00 0.23 -0.14 0.66 -0.18 0.00 0.00 178.31 178.88 2jfx h SER 14 N 0.00 0.00 0.34 2.17 4.64 -1.72 0.70 113.55 119.67 2jfx h SER 14 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2jfx h SER 14 Cb 0.47 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2jfx h SER 14 CO 0.03 0.14 -1.59 0.58 -0.87 0.00 0.00 176.83 175.12 2jfx h VAL 15 N 0.00 1.11 -0.23 0.95 2.07 -1.55 -3.14 116.25 115.46 2jfx h VAL 15 Ca -0.00 -2.69 0.02 0.00 0.82 0.00 0.00 66.70 64.85 2jfx h VAL 15 Cb 0.27 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2jfx h VAL 15 CO 0.02 0.83 0.09 0.25 0.02 0.00 0.00 177.57 178.78 2jfx h LEU 16 N 0.10 0.11 -0.55 2.57 5.85 -0.18 0.80 115.31 124.00 2jfx h LEU 16 Ca -0.28 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2jfx h LEU 16 Cb 2.07 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.05 2jfx h LEU 16 CO 0.19 0.09 0.22 0.50 -0.34 0.00 0.00 178.44 179.10 2jfx h LYS 17 N 0.20 0.41 -0.17 1.25 3.64 0.26 0.46 116.57 122.61 2jfx h LYS 17 Ca 0.10 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2jfx h LYS 17 Cb 0.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2jfx h LYS 17 CO -0.09 0.27 -0.20 1.03 -2.27 0.00 0.00 179.45 178.18 2jfx h SER 18 N 0.42 0.28 0.02 4.20 0.87 -1.38 -2.46 113.55 115.50 2jfx h SER 18 Ca 0.26 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2jfx h SER 18 Cb 0.27 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2jfx h SER 18 CO -0.24 0.50 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.48 2jfx h LEU 19 N 0.27 -0.02 -0.82 2.23 3.38 0.11 -3.13 115.31 117.33 2jfx h LEU 19 Ca 0.05 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.17 2jfx h LEU 19 Cb 0.51 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 2jfx h LEU 19 CO 0.03 -0.01 -0.23 0.18 0.09 0.00 0.00 178.44 178.50 2jfx n LEU 20 N -2.11 -0.35 -0.07 1.67 4.77 0.14 -0.07 117.00 120.96 2jfx n LEU 20 Ca -0.00 1.42 -0.10 0.00 -0.03 0.00 0.00 56.01 57.30 2jfx n LEU 20 Cb 0.01 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2jfx n LEU 20 CO 0.01 -1.34 0.61 0.50 -1.33 0.00 0.00 177.39 175.83 2jfx h LYS 21 N 0.00 -0.34 -0.13 3.23 3.64 -1.52 0.16 116.57 121.61 2jfx h LYS 21 Ca 0.37 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.81 2jfx h LYS 21 Cb 0.58 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jfx h LYS 21 CO -0.84 -0.23 0.15 0.00 -2.27 0.00 0.00 179.45 176.26 2jfx h ALA 22 N 0.45 1.70 -0.17 5.00 0.00 -0.42 -3.45 119.26 122.36 2jfx h ALA 22 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2jfx h ALA 22 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2jfx h ALA 22 CO -0.49 -0.22 -0.03 0.54 0.00 0.00 0.00 179.25 179.05 2jfx n ARG 23 N -3.76 -1.91 0.00 0.00 5.12 0.56 -4.83 116.66 111.84 2jfx n ARG 23 Ca 0.00 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 2jfx n ARG 23 Cb 0.26 -4.34 0.00 0.00 -1.16 0.00 0.00 32.46 27.23 2jfx n ARG 23 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2jfx n LEU 24 N -0.25 0.55 -3.98 0.55 -0.00 -1.26 -4.70 117.00 107.90 2jfx n LEU 24 Ca -0.02 -0.27 -0.11 0.00 -0.00 0.00 0.00 56.01 55.61 2jfx n LEU 24 Cb 0.36 -0.27 -0.12 0.00 -0.00 0.00 0.00 43.42 43.39 2jfx n LEU 24 CO 0.03 0.14 -0.37 -0.36 -0.00 0.00 0.00 177.39 176.82 2jfx s PHE 25 N -1.19 0.34 -1.13 1.47 0.40 -1.26 -4.83 117.98 111.77 2jfx s PHE 25 Ca 0.00 -0.42 0.15 0.00 -0.60 0.00 0.00 56.93 56.07 2jfx s PHE 25 Cb 0.00 -0.23 0.46 0.00 0.51 0.00 0.00 43.02 43.77 2jfx s PHE 25 CO 0.00 -0.12 1.39 -0.25 0.70 0.00 0.00 175.22 176.93 2jfx n ASP 26 N 1.87 3.49 -3.50 1.36 8.00 -1.09 -4.48 116.55 122.21 2jfx n ASP 26 Ca -0.21 -2.15 0.01 0.00 0.71 0.00 0.00 54.79 53.15 2jfx n ASP 26 Cb 0.56 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 2jfx n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jfx s GLU 27 N -1.27 0.21 -0.12 -1.24 2.02 -1.14 -2.81 118.70 114.35 2jfx s GLU 27 Ca 0.35 0.43 -0.01 0.00 0.02 0.00 0.00 54.97 55.77 2jfx s GLU 27 Cb 0.20 0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.61 2jfx s GLU 27 CO 0.20 -0.06 -0.06 0.42 0.02 0.00 0.00 175.26 175.78 2jfx s ILE 28 N 1.69 0.98 -0.76 -1.63 1.01 0.28 -1.04 121.20 121.74 2jfx s ILE 28 Ca -0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 2jfx s ILE 28 Cb -0.03 -1.04 0.18 0.00 0.01 0.00 0.00 42.46 41.58 2jfx s ILE 28 CO -0.15 0.32 0.74 -0.63 0.00 0.00 0.00 174.94 175.22 2jfx s ILE 29 N 1.72 5.36 -0.14 2.92 -1.09 0.76 0.18 121.20 130.92 2jfx s ILE 29 Ca 0.04 -2.03 -0.29 0.00 -2.23 0.00 0.00 60.65 56.14 2jfx s ILE 29 Cb -0.13 -4.48 -0.01 0.00 -1.58 0.00 0.00 42.46 36.26 2jfx s ILE 29 CO -0.08 -1.06 0.99 -0.47 -1.23 0.00 0.00 174.94 173.09 2jfx s TYR 30 N 0.98 3.47 -0.27 3.97 5.04 0.14 -1.38 117.35 129.30 2jfx s TYR 30 Ca 0.16 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.33 2jfx s TYR 30 Cb -0.15 -3.18 0.07 0.00 0.35 0.00 0.00 41.96 39.05 2jfx s TYR 30 CO -0.05 -0.27 -0.01 -0.47 -1.34 0.00 0.00 175.55 173.41 2jfx s TYR 31 N 2.23 2.55 -0.22 4.97 5.04 0.28 -0.01 117.35 132.20 2jfx s TYR 31 Ca 0.46 -1.99 -0.08 0.00 -2.44 0.00 0.00 57.07 53.02 2jfx s TYR 31 Cb -0.17 -1.85 -0.04 0.00 0.35 0.00 0.00 41.96 40.25 2jfx s TYR 31 CO 0.15 -0.82 0.09 0.20 -1.34 0.00 0.00 175.55 173.83 2jfx s GLY 32 N 1.33 1.86 -0.05 8.97 0.00 -1.01 -2.60 107.32 115.82 2jfx s GLY 32 Ca -0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 2jfx s GLY 32 CO -0.09 0.33 3.47 1.34 0.00 0.00 0.00 173.10 178.15 2jfx n ASP 33 N 4.28 5.13 0.11 1.64 2.03 -0.64 -2.15 116.55 126.95 2jfx n ASP 33 Ca -0.16 -2.44 0.19 0.00 0.52 0.00 0.00 54.79 52.90 2jfx n ASP 33 Cb 0.52 -1.36 0.62 0.00 -0.72 0.00 0.00 41.12 40.18 2jfx n ASP 33 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2jfx h SER 34 N 3.20 0.00 1.39 1.67 4.64 -1.75 -0.01 113.55 122.69 2jfx h SER 34 Ca 0.21 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.45 2jfx h SER 34 Cb 1.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 2jfx h SER 34 CO 0.29 0.00 -0.37 0.00 -0.87 0.00 0.00 176.83 175.89 2jfx h ALA 35 N 1.10 0.81 -0.01 5.18 0.00 -1.84 -3.32 119.26 121.19 2jfx h ALA 35 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jfx h ALA 35 Cb 1.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2jfx h ALA 35 CO -0.00 0.46 -0.19 0.54 0.00 0.00 0.00 179.25 180.06 2jfx n ARG 36 N -3.26 1.96 -1.68 0.00 1.74 -0.05 -4.99 116.66 110.37 2jfx n ARG 36 Ca 0.02 -0.64 -0.39 0.00 -0.77 0.00 0.00 57.85 56.07 2jfx n ARG 36 Cb 0.62 -1.09 0.04 0.00 -1.02 0.00 0.00 32.46 31.02 2jfx n ARG 36 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2jfx n VAL 37 N -0.19 3.69 -2.67 1.55 3.14 -0.98 -4.61 118.33 118.26 2jfx n VAL 37 Ca 0.04 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.67 2jfx n VAL 37 Cb 0.21 -1.42 0.02 0.00 -1.06 0.00 0.00 33.84 31.59 2jfx n VAL 37 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2jfx s PRO 38 N -2.76 3.08 -0.17 1.45 0.04 -1.26 -5.06 135.00 130.32 2jfx s PRO 38 Ca 0.73 -0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.66 2jfx s PRO 38 Cb -0.43 -2.40 -0.22 0.00 0.04 0.00 0.00 34.50 31.49 2jfx s PRO 38 CO 0.49 -0.45 0.15 0.66 0.04 0.00 0.00 177.00 177.89 2jfx n TYR 39 N -2.33 0.53 -0.44 0.56 4.02 -1.26 -4.45 117.16 113.79 2jfx n TYR 39 Ca 0.03 0.14 0.40 0.00 -0.01 0.00 0.00 57.90 58.45 2jfx n TYR 39 Cb 0.57 -1.08 0.76 0.00 -0.02 0.00 0.00 39.34 39.57 2jfx n TYR 39 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2jfx h GLY 40 N 2.40 0.10 -1.80 2.72 0.00 -1.98 0.18 103.07 104.69 2jfx h GLY 40 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2jfx h GLY 40 CO 0.01 -0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.23 2jfx n THR 41 N -4.15 0.12 -2.74 4.70 -2.24 -1.26 -1.64 114.28 107.07 2jfx n THR 41 Ca 0.31 -0.52 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 2jfx n THR 41 Cb 1.46 1.22 0.08 0.00 -2.10 0.00 0.00 70.33 70.99 2jfx n THR 41 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jfx s LYS 42 N -1.88 1.98 0.34 -0.78 3.01 0.05 -4.97 119.74 117.50 2jfx s LYS 42 Ca 0.32 -1.25 -0.12 0.00 -1.01 0.00 0.00 55.97 53.91 2jfx s LYS 42 Cb 0.21 -2.46 -0.08 0.00 -1.01 0.00 0.00 37.83 34.49 2jfx s LYS 42 CO 0.31 -1.16 0.71 0.16 0.51 0.00 0.00 175.35 175.88 2jfx s ASP 43 N -4.67 6.64 0.20 2.83 1.47 -1.26 -4.73 116.67 117.15 2jfx s ASP 43 Ca 0.64 1.15 -0.14 0.00 1.18 0.00 0.00 52.55 55.37 2jfx s ASP 43 Cb -0.06 -2.32 0.21 0.00 -0.34 0.00 0.00 42.92 40.41 2jfx s ASP 43 CO 0.42 -0.26 1.64 -0.65 0.68 0.00 0.00 175.17 177.00 2jfx h PRO 44 N 1.89 0.02 -0.28 2.11 0.11 -1.97 -1.58 132.00 132.30 2jfx h PRO 44 Ca -0.47 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 2jfx h PRO 44 Cb 1.18 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 2jfx h PRO 44 CO 0.65 0.01 -0.16 1.15 -0.21 0.00 0.00 178.00 179.44 2jfx h THR 45 N 0.02 0.53 -0.27 -1.15 2.02 -1.95 0.19 112.91 112.30 2jfx h THR 45 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 2jfx h THR 45 Cb 0.43 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2jfx h THR 45 CO -0.58 0.00 0.15 0.74 0.37 0.00 0.00 175.52 176.21 2jfx h THR 46 N -0.13 1.11 -0.90 3.16 2.02 -1.83 -1.90 112.91 114.45 2jfx h THR 46 Ca 0.15 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2jfx h THR 46 Cb 0.35 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2jfx h THR 46 CO -0.36 0.11 0.51 0.40 0.37 0.00 0.00 175.52 176.55 2jfx h ILE 47 N 0.33 1.26 -0.01 3.11 2.04 -0.81 -0.08 117.51 123.34 2jfx h ILE 47 Ca 0.10 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2jfx h ILE 47 Cb 0.04 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2jfx h ILE 47 CO -0.02 0.28 0.01 0.11 0.00 0.00 0.00 178.15 178.53 2jfx h LYS 48 N 1.25 0.02 -0.51 2.37 1.57 -0.36 -0.88 116.57 120.03 2jfx h LYS 48 Ca 0.32 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.16 2jfx h LYS 48 Cb -0.00 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2jfx h LYS 48 CO -0.05 0.03 0.20 0.37 -0.57 0.00 0.00 179.45 179.43 2jfx h GLN 49 N -0.00 0.38 -0.68 3.15 5.75 -0.96 -0.46 115.11 122.29 2jfx h GLN 49 Ca 0.00 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.54 2jfx h GLN 49 Cb 0.02 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.43 2jfx h GLN 49 CO -0.00 0.25 0.38 0.74 -2.65 0.00 0.00 178.83 177.54 2jfx h PHE 50 N 0.39 0.69 -0.45 3.99 0.04 -0.68 -0.17 116.94 120.74 2jfx h PHE 50 Ca 0.24 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.97 2jfx h PHE 50 Cb 0.25 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2jfx h PHE 50 CO -0.15 0.32 -0.02 0.78 -0.60 0.00 0.00 178.31 178.65 2jfx h GLY 51 N 0.69 0.81 0.77 -1.45 0.00 -0.23 -1.79 103.07 101.88 2jfx h GLY 51 Ca 0.30 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2jfx h GLY 51 CO -0.19 0.51 0.01 -2.00 0.00 0.00 0.00 176.54 174.86 2jfx h LEU 52 N 0.70 0.05 -2.81 3.11 5.85 -0.26 -2.42 115.31 119.54 2jfx h LEU 52 Ca 0.14 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jfx h LEU 52 Cb 0.46 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2jfx h LEU 52 CO 0.02 0.28 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.07 2jfx h GLU 53 N -0.18 0.00 0.00 1.25 5.08 -0.86 -0.53 114.58 119.35 2jfx h GLU 53 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2jfx h GLU 53 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2jfx h GLU 53 CO 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 179.01 177.51 2jfx h ALA 54 N 2.00 1.10 -0.29 3.43 0.00 -0.81 -2.84 119.26 121.85 2jfx h ALA 54 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 2jfx h ALA 54 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jfx h ALA 54 CO 0.00 0.63 -0.40 -0.07 0.00 0.00 0.00 179.25 179.41 2jfx h LEU 55 N 0.00 0.86 0.00 0.00 3.38 -1.03 -2.45 115.31 116.07 2jfx h LEU 55 Ca -0.01 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2jfx h LEU 55 Cb 0.93 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2jfx h LEU 55 CO 0.07 1.19 0.05 0.47 0.09 0.00 0.00 178.44 180.31 2jfx n ASP 56 N -4.15 0.00 -0.04 -0.43 8.00 -1.08 -1.19 116.55 117.67 2jfx n ASP 56 Ca -0.04 0.36 -0.03 0.00 0.71 0.00 0.00 54.79 55.79 2jfx n ASP 56 Cb 0.54 -0.36 -0.14 0.00 -0.02 0.00 0.00 41.12 41.14 2jfx n ASP 56 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2jfx n PHE 57 N -1.35 0.37 1.13 1.24 7.35 -0.92 -4.32 117.46 120.95 2jfx n PHE 57 Ca 0.00 0.13 0.13 0.00 -0.76 0.00 0.00 57.45 56.94 2jfx n PHE 57 Cb 0.05 -0.95 0.26 0.00 0.35 0.00 0.00 39.48 39.19 2jfx n PHE 57 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2jfx n PHE 58 N -2.73 0.04 0.03 -5.13 3.01 -0.33 -4.33 117.46 108.03 2jfx n PHE 58 Ca -0.20 -0.02 -0.11 0.00 1.01 0.00 0.00 57.45 58.14 2jfx n PHE 58 Cb 0.95 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.37 2jfx n PHE 58 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2jfx h LYS 59 N 3.80 -0.09 -0.39 -1.08 1.57 -1.72 -2.70 116.57 115.97 2jfx h LYS 59 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jfx h LYS 59 Cb 0.81 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2jfx h LYS 59 CO 0.00 -0.06 0.17 -1.35 -0.57 0.00 0.00 179.45 177.64 2jfx h PRO 60 N -0.10 0.57 0.00 3.15 0.11 -1.86 -2.79 132.00 131.07 2jfx h PRO 60 Ca 0.04 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2jfx h PRO 60 Cb 0.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2jfx h PRO 60 CO -0.10 0.52 0.00 0.72 -0.21 0.00 0.00 178.00 178.93 2jfx n HIS 61 N -4.68 0.00 -3.28 0.65 8.25 -1.16 -4.91 115.22 110.08 2jfx n HIS 61 Ca -0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2jfx n HIS 61 Cb 0.12 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 30.98 2jfx n HIS 61 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2jfx n GLU 62 N -1.26 -1.14 -3.54 -0.41 0.28 -1.03 -4.95 120.64 108.60 2jfx n GLU 62 Ca 0.06 0.62 -0.24 0.00 -0.16 0.00 0.00 57.16 57.43 2jfx n GLU 62 Cb 0.10 -1.52 -0.02 0.00 1.43 0.00 0.00 31.44 31.43 2jfx n GLU 62 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 2jfx s ILE 63 N -2.35 5.14 -0.08 3.84 -4.36 -1.26 -4.97 121.20 117.17 2jfx s ILE 63 Ca 0.06 -0.49 0.01 0.00 -0.26 0.00 0.00 60.65 59.97 2jfx s ILE 63 Cb -0.01 -3.83 -0.25 0.00 1.25 0.00 0.00 42.46 39.63 2jfx s ILE 63 CO 0.63 -0.42 0.52 -0.33 0.24 0.00 0.00 174.94 175.58 2jfx h GLU 64 N 1.15 0.16 -4.60 0.37 5.08 -0.05 -3.47 114.58 113.22 2jfx h GLU 64 Ca -0.50 -0.27 -0.45 0.00 -1.00 0.00 0.00 59.36 57.14 2jfx h GLU 64 Cb 1.21 0.10 -0.32 0.00 0.50 0.00 0.00 28.75 30.25 2jfx h GLU 64 CO 0.63 0.92 -0.79 -1.17 -1.00 0.00 0.00 179.01 177.60 2jfx s LEU 65 N -6.66 1.73 -0.24 1.33 1.98 -1.23 -4.27 118.68 111.32 2jfx s LEU 65 Ca -0.14 -0.21 -0.06 0.00 -2.89 0.00 0.00 54.13 50.83 2jfx s LEU 65 Cb 0.07 -0.62 -0.02 0.00 0.66 0.00 0.00 46.19 46.28 2jfx s LEU 65 CO 0.80 0.06 0.02 -0.22 -1.89 0.00 0.00 176.35 175.11 2jfx s LEU 66 N 0.32 3.21 -0.31 -0.68 2.96 -0.93 -1.81 118.68 121.44 2jfx s LEU 66 Ca -0.06 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.41 2jfx s LEU 66 Cb -0.11 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2jfx s LEU 66 CO 0.01 -0.04 0.19 -0.63 -1.32 0.00 0.00 176.35 174.56 2jfx s ILE 67 N 1.54 4.98 -0.75 6.68 1.01 -0.19 -2.00 121.20 132.47 2jfx s ILE 67 Ca 0.06 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 2jfx s ILE 67 Cb -0.15 -3.50 0.09 0.00 0.01 0.00 0.00 42.46 38.91 2jfx s ILE 67 CO 0.00 0.08 1.02 -0.69 0.00 0.00 0.00 174.94 175.36 2jfx s VAL 68 N 1.68 4.44 0.24 2.92 1.01 -0.73 -0.96 120.40 129.00 2jfx s VAL 68 Ca 0.06 -0.76 0.23 0.00 0.00 0.00 0.00 61.98 61.51 2jfx s VAL 68 Cb -0.17 -4.72 0.22 0.00 0.00 0.00 0.00 36.38 31.71 2jfx s VAL 68 CO 0.09 -1.48 1.88 0.00 0.00 0.00 0.00 175.10 175.59 2jfx h ALA 69 N 9.35 1.12 -2.26 5.51 0.00 -0.87 -3.26 119.26 128.84 2jfx h ALA 69 Ca -0.14 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.00 2jfx h ALA 69 Cb 1.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2jfx h ALA 69 CO 1.17 0.29 0.81 0.00 0.00 0.00 0.00 179.25 181.53 2jfx h ASN 71 N 7.89 1.08 -0.16 0.00 4.21 -1.87 -0.17 115.58 126.55 2jfx h ASN 71 Ca -0.32 -0.21 -0.02 0.00 1.21 0.00 0.00 56.30 56.96 2jfx h ASN 71 Cb 1.14 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 2jfx h ASN 71 CO 0.92 1.00 0.02 0.74 -1.29 0.00 0.00 177.43 178.82 2jfx h THR 72 N 1.10 1.23 -0.70 2.81 2.02 -1.92 -0.61 112.91 116.85 2jfx h THR 72 Ca 0.24 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2jfx h THR 72 Cb 0.31 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 2jfx h THR 72 CO -0.01 0.23 0.27 0.00 0.37 0.00 0.00 175.52 176.38 2jfx h ALA 73 N 0.80 0.91 -0.27 6.16 0.00 -1.93 -0.17 119.26 124.74 2jfx h ALA 73 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2jfx h ALA 73 Cb 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2jfx h ALA 73 CO 0.00 0.53 0.03 0.77 0.00 0.00 0.00 179.25 180.58 2jfx h SER 74 N 0.99 -0.05 -0.64 0.00 0.02 -0.89 0.82 113.55 113.81 2jfx h SER 74 Ca 0.23 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.15 2jfx h SER 74 Cb 0.22 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2jfx h SER 74 CO -0.02 0.01 0.07 0.00 -1.14 0.00 0.00 176.83 175.75 2jfx h ALA 75 N 1.22 0.90 0.00 3.77 0.00 -0.75 -3.20 119.26 121.20 2jfx h ALA 75 Ca 0.13 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2jfx h ALA 75 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jfx h ALA 75 CO -0.19 0.67 -2.01 1.28 0.00 0.00 0.00 179.25 179.00 2jfx n LEU 76 N -4.20 0.00 0.00 0.00 7.99 -0.11 -4.77 117.00 115.91 2jfx n LEU 76 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 2jfx n LEU 76 Cb 0.31 0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 2jfx n LEU 76 CO 0.43 0.19 0.25 0.00 -1.51 0.00 0.00 177.39 176.75 2jfx n ALA 77 N -2.37 1.31 0.05 -1.18 0.00 0.28 -4.62 120.51 113.98 2jfx n ALA 77 Ca -0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.68 2jfx n ALA 77 Cb 0.74 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.14 2jfx n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfx h LEU 78 N 0.00 -0.19 -0.20 0.00 5.85 -1.45 -1.73 115.31 117.59 2jfx h LEU 78 Ca 0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2jfx h LEU 78 Cb 0.54 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 2jfx h LEU 78 CO 0.00 -0.10 -0.25 -0.08 -0.34 0.00 0.00 178.44 177.67 2jfx h GLU 79 N -0.12 -0.27 -0.54 1.25 4.81 -1.88 0.76 114.58 118.59 2jfx h GLU 79 Ca 0.03 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2jfx h GLU 79 Cb 0.15 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2jfx h GLU 79 CO -0.07 -0.18 0.19 1.49 -0.73 0.00 0.00 179.01 179.71 2jfx h GLU 80 N -0.28 0.35 0.38 1.92 4.57 -1.86 -0.76 114.58 118.90 2jfx h GLU 80 Ca 0.12 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2jfx h GLU 80 Cb 0.47 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2jfx h GLU 80 CO -0.36 0.23 -0.18 0.52 -1.18 0.00 0.00 179.01 178.04 2jfx h MET 81 N 0.36 -0.49 -0.87 1.92 2.86 -0.57 -2.94 114.93 115.20 2jfx h MET 81 Ca 0.27 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 58.13 2jfx h MET 81 Cb 0.31 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 2jfx h MET 81 CO -0.28 -0.23 0.57 1.96 1.06 0.00 0.00 176.91 179.99 2jfx h GLN 82 N -0.68 0.43 0.06 1.72 4.20 -0.60 -1.46 115.11 118.78 2jfx h GLN 82 Ca -0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jfx h GLN 82 Cb 0.48 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2jfx h GLN 82 CO 0.09 0.28 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.26 2jfx h LYS 83 N 0.44 -0.10 0.00 1.46 3.64 -0.96 -2.74 116.57 118.31 2jfx h LYS 83 Ca 0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2jfx h LYS 83 Cb 1.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2jfx h LYS 83 CO -0.17 -0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.60 2jfx n TYR 84 N -2.56 0.00 -3.57 1.91 4.02 -1.05 -4.84 117.16 111.07 2jfx n TYR 84 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.53 2jfx n TYR 84 Cb 0.05 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.31 2jfx n TYR 84 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2jfx s SER 85 N -1.39 6.65 -0.12 7.72 0.15 -0.57 -5.00 113.70 121.14 2jfx s SER 85 Ca 0.05 0.81 -0.08 0.00 0.70 0.00 0.00 55.95 57.43 2jfx s SER 85 Cb 0.03 -2.18 -0.26 0.00 -1.71 0.00 0.00 66.02 61.89 2jfx s SER 85 CO 0.04 0.18 0.39 0.11 1.20 0.00 0.00 173.24 175.16 2jfx h LYS 86 N 3.76 0.27 -6.55 5.44 1.79 -1.88 -3.48 116.57 115.91 2jfx h LYS 86 Ca -0.49 -0.45 -0.47 0.00 -2.18 0.00 0.00 60.65 57.06 2jfx h LYS 86 Cb 1.19 0.17 0.01 0.00 -1.58 0.00 0.00 32.23 32.03 2jfx h LYS 86 CO 0.66 1.22 -0.18 0.96 -1.08 0.00 0.00 179.45 181.03 2jfx s ILE 87 N -2.55 4.71 0.39 1.86 -4.36 -1.26 -5.07 121.20 114.92 2jfx s ILE 87 Ca -0.22 -0.52 -0.26 0.00 -0.26 0.00 0.00 60.65 59.39 2jfx s ILE 87 Cb 0.06 -3.72 -0.09 0.00 1.25 0.00 0.00 42.46 39.97 2jfx s ILE 87 CO 0.77 -0.46 1.20 -2.16 0.24 0.00 0.00 174.94 174.52 2jfx s PRO 88 N -4.37 4.10 -0.18 0.37 0.04 -1.26 -4.90 135.00 128.80 2jfx s PRO 88 Ca 0.43 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2jfx s PRO 88 Cb -0.10 -2.76 0.04 0.00 0.04 0.00 0.00 34.50 31.72 2jfx s PRO 88 CO 0.36 -0.30 -0.11 0.42 0.04 0.00 0.00 177.00 177.41 2jfx s ILE 89 N -1.35 1.53 -0.20 0.56 1.01 -1.26 -2.19 121.20 119.29 2jfx s ILE 89 Ca 0.55 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 2jfx s ILE 89 Cb -0.33 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 2jfx s ILE 89 CO 0.42 0.26 -0.05 0.54 0.00 0.00 0.00 174.94 176.11 2jfx s VAL 90 N 1.47 3.44 0.13 2.92 0.11 -0.85 -4.97 120.40 122.65 2jfx s VAL 90 Ca 0.01 -0.48 -0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2jfx s VAL 90 Cb -0.15 -2.55 0.03 0.00 -1.53 0.00 0.00 36.38 32.18 2jfx s VAL 90 CO -0.09 0.44 0.17 0.61 -3.33 0.00 0.00 175.10 172.90 2jfx n GLY 91 N 4.49 0.45 0.88 6.54 0.00 -1.26 -1.78 105.19 114.51 2jfx n GLY 91 Ca -0.18 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.01 2jfx n GLY 91 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jfx n VAL 92 N -1.73 0.51 -0.02 1.61 0.24 -1.23 -4.57 118.33 113.14 2jfx n VAL 92 Ca 0.03 -0.75 -0.01 0.00 -2.04 0.00 0.00 64.34 61.57 2jfx n VAL 92 Cb 0.10 0.93 -0.00 0.00 -1.47 0.00 0.00 33.84 33.40 2jfx n VAL 92 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2jfx h ILE 93 N 3.42 0.00 -0.85 1.34 2.04 -1.93 -3.30 117.51 118.23 2jfx h ILE 93 Ca 0.00 -0.31 0.21 0.00 1.00 0.00 0.00 64.86 65.77 2jfx h ILE 93 Cb 0.82 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.77 2jfx h ILE 93 CO 0.00 0.00 0.28 -0.33 0.00 0.00 0.00 178.15 178.10 2jfx h GLU 94 N -0.31 0.28 -0.04 2.37 4.39 -1.98 0.55 114.58 119.85 2jfx h GLU 94 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2jfx h GLU 94 Cb 0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jfx h GLU 94 CO 0.00 0.19 -0.10 -1.35 -1.16 0.00 0.00 179.01 176.59 2jfx h PRO 95 N 0.29 0.06 0.00 2.33 0.11 -1.80 -0.90 132.00 132.09 2jfx h PRO 95 Ca 0.52 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.56 2jfx h PRO 95 Cb 1.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2jfx h PRO 95 CO -0.58 0.17 -0.31 0.77 -0.21 0.00 0.00 178.00 177.84 2jfx h SER 96 N 0.06 0.00 0.23 -2.05 0.02 0.00 -2.20 113.55 109.60 2jfx h SER 96 Ca 0.01 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.65 2jfx h SER 96 Cb 0.22 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.79 2jfx h SER 96 CO 0.01 0.31 -1.33 0.40 -1.14 0.00 0.00 176.83 175.08 2jfx h ILE 97 N 0.00 1.30 -0.81 3.27 5.03 -0.52 -2.36 117.51 123.42 2jfx h ILE 97 Ca -0.00 -2.60 -0.04 0.00 -0.12 0.00 0.00 64.86 62.09 2jfx h ILE 97 Cb 0.90 2.84 -0.04 0.00 -3.03 0.00 0.00 36.82 37.49 2jfx h ILE 97 CO 0.04 0.78 0.35 -0.07 -0.68 0.00 0.00 178.15 178.57 2jfx h LEU 98 N 0.21 1.09 -1.58 1.44 3.38 -1.22 -0.38 115.31 118.26 2jfx h LEU 98 Ca -0.21 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2jfx h LEU 98 Cb 2.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2jfx h LEU 98 CO 0.25 0.95 -0.23 0.00 0.09 0.00 0.00 178.44 179.51 2jfx h ALA 99 N 1.18 1.39 0.12 1.53 0.00 -1.43 -1.83 119.26 120.23 2jfx h ALA 99 Ca 0.27 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 2jfx h ALA 99 Cb 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jfx h ALA 99 CO -0.03 0.28 -1.24 0.82 0.00 0.00 0.00 179.25 179.09 2jfx h ILE 100 N 0.00 1.29 -0.75 0.00 2.04 -0.66 -2.34 117.51 117.09 2jfx h ILE 100 Ca -0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 64.86 63.34 2jfx h ILE 100 Cb 0.47 2.69 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 2jfx h ILE 100 CO 0.03 0.75 0.32 0.11 0.00 0.00 0.00 178.15 179.36 2jfx h LYS 101 N 0.27 1.10 0.00 2.37 1.57 -0.83 0.24 116.57 121.29 2jfx h LYS 101 Ca -0.18 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 2jfx h LYS 101 Cb 1.91 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 2jfx h LYS 101 CO 0.23 0.88 -0.32 -0.09 -0.57 0.00 0.00 179.45 179.58 2jfx h ARG 102 N 1.08 0.00 -0.01 3.15 2.43 -1.37 -3.31 114.38 116.35 2jfx h ARG 102 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jfx h ARG 102 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2jfx h ARG 102 CO -0.03 0.32 0.00 1.04 -1.51 0.00 0.00 179.97 179.79 2jfx n GLN 103 N -3.74 -0.45 -3.60 0.20 6.02 -0.86 -4.93 117.38 110.01 2jfx n GLN 103 Ca -0.01 -0.71 -0.27 0.00 -0.01 0.00 0.00 57.00 56.00 2jfx n GLN 103 Cb 0.41 -1.05 -0.16 0.00 1.02 0.00 0.00 30.24 30.46 2jfx n GLN 103 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jfx s VAL 104 N -0.26 -0.03 -0.04 5.09 1.01 0.79 -4.99 120.40 121.96 2jfx s VAL 104 Ca 0.03 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 61.71 2jfx s VAL 104 Cb 0.02 -0.74 -0.24 0.00 0.00 0.00 0.00 36.38 35.43 2jfx s VAL 104 CO 0.03 -0.42 0.67 -0.33 0.00 0.00 0.00 175.10 175.06 2jfx h GLU 105 N 8.40 0.05 -5.82 2.72 3.07 -1.84 -3.43 114.58 117.74 2jfx h GLU 105 Ca -0.17 -0.09 -0.38 0.00 -0.50 0.00 0.00 59.36 58.22 2jfx h GLU 105 Cb 1.10 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 29.01 2jfx h GLU 105 CO 0.34 0.66 1.03 0.34 -1.40 0.00 0.00 179.01 179.98 2jfx s ASP 106 N -6.31 5.13 0.00 1.42 2.15 -1.26 -4.77 116.67 113.03 2jfx s ASP 106 Ca -0.07 -0.13 0.02 0.00 0.43 0.00 0.00 52.55 52.80 2jfx s ASP 106 Cb 0.08 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.26 2jfx s ASP 106 CO 0.82 -2.62 0.44 0.29 -0.17 0.00 0.00 175.17 173.93 2jfx n LYS 107 N 9.01 0.09 0.00 4.34 4.01 -1.26 -0.18 118.16 134.17 2jfx n LYS 107 Ca 0.31 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 58.13 2jfx n LYS 107 Cb 0.49 -1.30 0.00 0.00 -0.51 0.00 0.00 35.03 33.71 2jfx n LYS 107 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2jfx n ASN 108 N -0.80 0.93 -4.71 4.39 3.02 -1.26 -1.95 115.26 114.88 2jfx n ASN 108 Ca 0.01 -0.97 -0.43 0.00 -0.03 0.00 0.00 54.58 53.16 2jfx n ASN 108 Cb 0.01 0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 2jfx n ASN 108 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jfx n ALA 109 N -0.19 2.19 -1.71 5.41 0.00 0.74 -4.47 120.51 122.48 2jfx n ALA 109 Ca 0.01 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2jfx n ALA 109 Cb 0.07 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 2jfx n ALA 109 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jfx s PRO 110 N 0.39 3.80 -0.14 0.00 0.02 -1.26 -4.46 135.00 133.35 2jfx s PRO 110 Ca 0.72 2.32 -0.00 0.00 0.02 0.00 0.00 61.00 64.05 2jfx s PRO 110 Cb -0.56 -4.21 -0.01 0.00 0.02 0.00 0.00 34.50 29.74 2jfx s PRO 110 CO 0.41 -1.33 -0.13 0.42 -0.33 0.00 0.00 177.00 176.03 2jfx s ILE 111 N 5.68 2.97 -0.16 2.83 1.01 0.15 -0.68 121.20 133.00 2jfx s ILE 111 Ca 0.90 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 60.86 2jfx s ILE 111 Cb -0.37 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2jfx s ILE 111 CO 0.38 0.51 -0.13 -0.22 0.00 0.00 0.00 174.94 175.48 2jfx s LEU 112 N 0.56 2.60 -0.20 2.97 2.96 0.16 0.35 118.68 128.07 2jfx s LEU 112 Ca -0.08 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 2jfx s LEU 112 Cb -0.16 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2jfx s LEU 112 CO 0.04 0.10 0.08 -0.69 -1.32 0.00 0.00 176.35 174.55 2jfx s VAL 113 N 0.75 4.74 -0.10 1.68 1.01 0.19 -0.24 120.40 128.43 2jfx s VAL 113 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2jfx s VAL 113 Cb -0.15 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2jfx s VAL 113 CO 0.01 0.42 -0.13 -0.76 0.00 0.00 0.00 175.10 174.64 2jfx s LEU 114 N 0.75 2.75 0.00 3.92 1.02 -0.56 -0.08 118.68 126.47 2jfx s LEU 114 Ca 0.04 -0.27 -0.14 0.00 0.02 0.00 0.00 54.13 53.77 2jfx s LEU 114 Cb -0.13 -1.60 0.05 0.00 0.02 0.00 0.00 46.19 44.53 2jfx s LEU 114 CO 0.02 0.23 0.69 0.61 0.02 0.00 0.00 176.35 177.92 2jfx n GLY 115 N 3.10 0.82 3.67 -3.19 0.00 -0.98 -0.68 105.19 107.93 2jfx n GLY 115 Ca -0.18 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 2jfx n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jfx s THR 116 N -2.23 1.95 0.17 2.61 -4.23 -1.26 -1.62 115.64 111.04 2jfx s THR 116 Ca 0.15 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.53 2jfx s THR 116 Cb -0.02 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.38 2jfx s THR 116 CO 0.04 0.00 1.80 0.11 -0.54 0.00 0.00 174.62 176.03 2jfx h LYS 117 N -2.01 0.53 -0.28 3.99 1.57 -1.88 -1.44 116.57 117.05 2jfx h LYS 117 Ca -0.53 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2jfx h LYS 117 Cb 1.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2jfx h LYS 117 CO 0.55 0.35 0.16 0.00 -0.57 0.00 0.00 179.45 179.94 2jfx h ALA 118 N 1.24 0.36 0.19 3.86 0.00 -1.60 0.40 119.26 123.71 2jfx h ALA 118 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jfx h ALA 118 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jfx h ALA 118 CO -0.11 -0.12 -0.09 1.15 0.00 0.00 0.00 179.25 180.08 2jfx h THR 119 N 0.35 0.82 -0.61 0.00 2.02 -1.78 -1.49 112.91 112.22 2jfx h THR 119 Ca 0.10 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 2jfx h THR 119 Cb 0.04 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2jfx h THR 119 CO -0.02 0.01 0.31 0.40 0.37 0.00 0.00 175.52 176.59 2jfx h ILE 120 N -0.26 1.21 0.00 3.11 1.08 -1.18 -2.63 117.51 118.83 2jfx h ILE 120 Ca -0.03 -0.56 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 2jfx h ILE 120 Cb 0.20 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 2jfx h ILE 120 CO 0.04 0.23 -0.05 -0.61 -0.69 0.00 0.00 178.15 177.08 2jfx h GLN 121 N 0.83 0.00 0.00 2.37 5.75 0.01 -2.15 115.11 121.92 2jfx h GLN 121 Ca 0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2jfx h GLN 121 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2jfx h GLN 121 CO -0.03 0.05 -0.01 0.66 -2.65 0.00 0.00 178.83 176.85 2jfx h SER 122 N 0.00 0.00 -0.80 -0.69 4.64 -0.89 -3.47 113.55 112.34 2jfx h SER 122 Ca -0.00 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 2jfx h SER 122 Cb 0.10 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.06 2jfx h SER 122 CO 0.01 0.00 -0.31 0.59 -0.87 0.00 0.00 176.83 176.24 2jfx n ASN 123 N -2.52 -5.33 -0.27 4.97 3.02 -0.81 -4.89 115.26 109.43 2jfx n ASN 123 Ca 0.05 0.42 0.03 0.00 -0.03 0.00 0.00 54.58 55.05 2jfx n ASN 123 Cb 0.46 -4.31 0.16 0.00 -0.61 0.00 0.00 39.78 35.49 2jfx n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jfx h ALA 124 N 0.00 1.11 -0.07 5.41 0.00 -1.84 0.18 119.26 124.04 2jfx h ALA 124 Ca -0.34 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2jfx h ALA 124 Cb 1.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2jfx h ALA 124 CO 0.50 0.01 -0.61 1.88 0.00 0.00 0.00 179.25 181.04 2jfx h TYR 125 N 0.69 0.75 -0.52 0.00 -1.99 -1.90 -2.48 116.97 111.52 2jfx h TYR 125 Ca 0.39 -0.36 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 2jfx h TYR 125 Cb 0.41 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 2jfx h TYR 125 CO -0.09 1.16 0.20 -0.44 -0.00 0.00 0.00 178.16 178.99 2jfx h ASP 126 N 0.14 0.72 0.38 3.88 5.19 -1.87 -0.96 116.42 123.91 2jfx h ASP 126 Ca -0.06 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.16 2jfx h ASP 126 Cb 1.27 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2jfx h ASP 126 CO 0.12 0.70 -0.18 0.78 -3.12 0.00 0.00 179.24 177.54 2jfx h ASN 127 N 0.70 -0.43 -0.68 6.45 2.35 -0.72 -0.36 115.58 122.88 2jfx h ASN 127 Ca 0.17 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.95 2jfx h ASN 127 Cb 0.21 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 2jfx h ASN 127 CO -0.01 -0.25 0.45 0.00 -1.65 0.00 0.00 177.43 175.97 2jfx h ALA 128 N 0.01 1.72 -0.27 -0.83 0.00 -1.39 -1.45 119.26 117.05 2jfx h ALA 128 Ca -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2jfx h ALA 128 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jfx h ALA 128 CO 0.09 0.18 -0.12 -0.07 0.00 0.00 0.00 179.25 179.33 2jfx h LEU 129 N 0.72 0.57 -1.07 0.00 4.07 -0.93 -3.14 115.31 115.52 2jfx h LEU 129 Ca 0.29 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 2jfx h LEU 129 Cb 0.23 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 2jfx h LEU 129 CO -0.09 0.84 0.08 0.11 -1.08 0.00 0.00 178.44 178.30 2jfx h LYS 130 N 0.29 0.74 0.00 1.13 1.57 -0.34 -1.38 116.57 118.59 2jfx h LYS 130 Ca 0.06 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2jfx h LYS 130 Cb 0.62 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2jfx h LYS 130 CO 0.04 0.70 0.00 0.00 -0.57 0.00 0.00 179.45 179.61 2jfx n GLN 131 N -4.27 0.05 0.00 3.15 10.64 -0.61 -1.63 117.38 124.71 2jfx n GLN 131 Ca 0.03 0.22 0.10 0.00 -1.83 0.00 0.00 57.00 55.52 2jfx n GLN 131 Cb 0.24 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.14 2jfx n GLN 131 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2jfx n GLN 132 N -1.45 1.58 0.00 2.61 1.13 -0.54 -5.01 117.38 115.71 2jfx n GLN 132 Ca 0.04 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.92 2jfx n GLN 132 Cb 0.16 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.12 2jfx n GLN 132 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jfx n GLY 133 N 1.26 2.83 3.77 1.08 0.00 -0.64 -5.09 105.19 108.38 2jfx n GLY 133 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2jfx n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jfx s TYR 134 N -2.48 2.76 -0.04 1.61 1.51 -1.16 -4.91 117.35 114.64 2jfx s TYR 134 Ca 0.00 1.09 0.02 0.00 -1.01 0.00 0.00 57.07 57.17 2jfx s TYR 134 Cb 0.00 -3.95 -0.03 0.00 -0.11 0.00 0.00 41.96 37.87 2jfx s TYR 134 CO 0.00 -2.92 0.06 1.28 -1.11 0.00 0.00 175.55 172.86 2jfx n LEU 135 N 1.19 0.04 -4.05 -1.29 4.77 -0.82 -4.45 117.00 112.38 2jfx n LEU 135 Ca 0.03 -0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 2jfx n LEU 135 Cb 0.39 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2jfx n LEU 135 CO 0.63 0.01 0.94 -3.20 -1.33 0.00 0.00 177.39 174.44 2jfx n ASN 136 N -1.35 5.94 -4.32 -1.43 2.85 -1.26 -5.02 115.26 110.66 2jfx n ASN 136 Ca -0.00 -3.32 -0.32 0.00 -0.11 0.00 0.00 54.58 50.83 2jfx n ASN 136 Cb 0.04 -1.24 -0.15 0.00 1.24 0.00 0.00 39.78 39.67 2jfx n ASN 136 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2jfx s ILE 137 N -2.36 2.65 0.03 -1.44 1.01 -1.26 0.34 121.20 120.17 2jfx s ILE 137 Ca 0.31 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.19 2jfx s ILE 137 Cb 0.01 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 2jfx s ILE 137 CO 0.04 0.54 -0.12 -0.44 0.00 0.00 0.00 174.94 174.97 2jfx s SER 138 N 0.25 1.43 0.05 3.58 0.01 0.15 -4.97 113.70 114.21 2jfx s SER 138 Ca -0.12 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.76 2jfx s SER 138 Cb -0.16 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2jfx s SER 138 CO 0.06 0.00 -0.15 -1.38 0.41 0.00 0.00 173.24 172.19 2jfx s HIS 139 N -0.85 1.28 -0.07 2.43 -3.43 -1.26 0.54 115.29 113.93 2jfx s HIS 139 Ca -0.00 -0.38 -0.03 0.00 -0.80 0.00 0.00 55.06 53.85 2jfx s HIS 139 Cb -0.08 -0.75 0.04 0.00 -1.43 0.00 0.00 32.58 30.36 2jfx s HIS 139 CO 0.01 0.05 0.07 -0.51 -2.00 0.00 0.00 174.74 172.36 2jfx s LEU 140 N -1.28 0.19 -0.79 5.38 1.43 0.88 -4.92 118.68 119.57 2jfx s LEU 140 Ca 0.01 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 2jfx s LEU 140 Cb -0.08 -0.17 0.03 0.00 0.03 0.00 0.00 46.19 46.00 2jfx s LEU 140 CO 0.02 -0.28 1.30 0.00 0.23 0.00 0.00 176.35 177.62 2jfx s ALA 141 N 2.16 2.75 -1.10 4.21 0.00 -1.26 -2.33 121.76 126.20 2jfx s ALA 141 Ca 0.04 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.44 2jfx s ALA 141 Cb -0.13 -4.30 0.24 0.00 0.00 0.00 0.00 23.12 18.93 2jfx s ALA 141 CO -0.05 -3.34 2.07 0.25 0.00 0.00 0.00 175.76 174.70 2jfx n THR 142 N 6.46 5.57 -0.39 0.00 -2.24 -0.64 -4.84 114.28 118.20 2jfx n THR 142 Ca 0.08 -5.19 -0.06 0.00 -2.27 0.00 0.00 64.05 56.61 2jfx n THR 142 Cb 0.49 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 66.98 2jfx n THR 142 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jfx h SER 143 N 4.23 -1.77 0.00 3.42 0.87 -1.90 -1.72 113.55 116.69 2jfx h SER 143 Ca 0.59 0.32 0.00 0.00 -1.23 0.00 0.00 61.79 61.47 2jfx h SER 143 Cb 0.31 0.85 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2jfx h SER 143 CO 1.29 -0.27 0.00 -0.07 -0.53 0.00 0.00 176.83 177.25 2jfx h LEU 144 N -0.01 0.00 -1.76 2.23 3.38 -1.97 -2.33 115.31 114.84 2jfx h LEU 144 Ca 0.25 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.26 2jfx h LEU 144 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2jfx h LEU 144 CO -0.95 0.00 0.22 -0.26 0.09 0.00 0.00 178.44 177.54 2jfx h PHE 145 N 0.00 0.30 0.57 1.13 0.05 -1.73 -2.20 116.94 115.06 2jfx h PHE 145 Ca 0.00 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.77 2jfx h PHE 145 Cb 0.00 -0.10 0.01 0.00 2.00 0.00 0.00 35.95 37.86 2jfx h PHE 145 CO 0.00 0.18 -0.27 0.28 -0.18 0.00 0.00 178.31 178.31 2jfx h VAL 146 N 0.31 0.22 -0.29 -0.55 2.07 -1.61 -1.72 116.25 114.68 2jfx h VAL 146 Ca 0.14 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2jfx h VAL 146 Cb 0.16 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2jfx h VAL 146 CO -0.03 0.03 0.12 1.55 0.02 0.00 0.00 177.57 179.26 2jfx h PRO 147 N -1.09 0.40 -0.25 1.57 0.13 -1.72 0.12 132.00 131.16 2jfx h PRO 147 Ca -0.08 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 2jfx h PRO 147 Cb 0.64 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2jfx h PRO 147 CO 0.13 0.33 0.08 -0.07 -0.23 0.00 0.00 178.00 178.24 2jfx h LEU 148 N 0.40 0.35 -0.59 1.56 3.38 -1.40 -1.64 115.31 117.38 2jfx h LEU 148 Ca 0.10 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2jfx h LEU 148 Cb 0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jfx h LEU 148 CO -0.01 0.45 -0.17 0.40 0.09 0.00 0.00 178.44 179.20 2jfx h ILE 149 N 0.23 1.27 -0.36 1.22 2.04 -0.90 0.33 117.51 121.34 2jfx h ILE 149 Ca 0.08 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.67 2jfx h ILE 149 Cb 0.22 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2jfx h ILE 149 CO -0.00 0.46 0.24 -0.33 0.00 0.00 0.00 178.15 178.51 2jfx h GLU 150 N 0.83 0.27 -0.61 2.37 4.39 -0.60 0.12 114.58 121.34 2jfx h GLU 150 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2jfx h GLU 150 Cb 0.73 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2jfx h GLU 150 CO 0.06 0.18 0.00 0.39 -1.16 0.00 0.00 179.01 178.47 2jfx n GLU 151 N -4.48 2.60 -2.02 2.33 -0.58 -0.63 -4.95 120.64 112.90 2jfx n GLU 151 Ca 0.04 -2.23 -0.16 0.00 -0.42 0.00 0.00 57.16 54.39 2jfx n GLU 151 Cb 0.23 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 2jfx n GLU 151 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jfx n SER 152 N 1.19 -4.85 -4.51 1.62 7.64 0.42 -4.92 113.62 110.22 2jfx n SER 152 Ca 0.21 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.78 2jfx n SER 152 Cb 0.57 -3.89 -0.01 0.00 -1.01 0.00 0.00 64.21 59.87 2jfx n SER 152 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jfx s ILE 153 N -2.73 4.60 -1.31 0.44 1.09 0.11 -4.65 121.20 118.74 2jfx s ILE 153 Ca 0.00 -2.05 0.15 0.00 -1.10 0.00 0.00 60.65 57.65 2jfx s ILE 153 Cb 0.00 -4.99 0.41 0.00 -1.06 0.00 0.00 42.46 36.82 2jfx s ILE 153 CO 0.00 -1.75 1.33 0.18 -0.10 0.00 0.00 174.94 174.60 2jfx n LEU 154 N 6.94 3.23 -3.68 2.97 4.77 -1.26 -4.42 117.00 125.54 2jfx n LEU 154 Ca 0.38 -1.95 -0.05 0.00 -0.03 0.00 0.00 56.01 54.36 2jfx n LEU 154 Cb 0.46 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2jfx n LEU 154 CO 0.65 0.80 0.72 -0.70 -1.33 0.00 0.00 177.39 177.53 2jfx s GLU 155 N -1.01 1.07 0.00 3.23 2.12 -1.26 -4.95 118.70 117.89 2jfx s GLU 155 Ca 0.31 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2jfx s GLU 155 Cb 0.16 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.95 2jfx s GLU 155 CO 0.22 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 2jfx n GLY 156 N -0.41 1.07 0.25 -1.50 0.00 -1.26 -4.41 105.19 98.93 2jfx n GLY 156 Ca -0.07 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 44.04 2jfx n GLY 156 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jfx h GLU 157 N 0.00 0.00 0.02 1.61 4.81 -2.02 -1.43 114.58 117.56 2jfx h GLU 157 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jfx h GLU 157 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jfx h GLU 157 CO 0.00 0.11 -0.01 1.25 -0.73 0.00 0.00 179.01 179.63 2jfx h LEU 158 N 0.00 -0.02 -0.16 1.64 5.85 -1.99 0.25 115.31 120.88 2jfx h LEU 158 Ca -0.00 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2jfx h LEU 158 Cb 0.58 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2jfx h LEU 158 CO 0.01 0.38 0.10 0.25 -0.34 0.00 0.00 178.44 178.84 2jfx h LEU 159 N -0.42 0.19 -0.75 2.25 5.85 -1.74 -1.32 115.31 119.36 2jfx h LEU 159 Ca -0.00 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2jfx h LEU 159 Cb 0.40 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 2jfx h LEU 159 CO 0.00 0.17 0.42 -0.08 -0.34 0.00 0.00 178.44 178.61 2jfx h GLU 160 N 0.19 0.72 0.00 1.25 4.57 -1.19 -0.57 114.58 119.55 2jfx h GLU 160 Ca 0.06 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.09 2jfx h GLU 160 Cb 0.01 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2jfx h GLU 160 CO -0.01 0.47 -0.48 1.15 -1.18 0.00 0.00 179.01 178.97 2jfx h THR 161 N 0.74 1.23 -0.15 0.32 2.02 -0.24 -1.72 112.91 115.11 2jfx h THR 161 Ca 0.35 -1.69 -0.16 0.00 0.77 0.00 0.00 66.41 65.68 2jfx h THR 161 Cb 0.28 1.94 0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2jfx h THR 161 CO -0.22 0.47 -0.54 0.00 0.37 0.00 0.00 175.52 175.59 2jfx h MET 163 N 0.30 1.15 -0.61 0.00 2.07 -0.96 -1.60 114.93 115.27 2jfx h MET 163 Ca -0.03 -0.11 -0.07 0.00 -2.07 0.00 0.00 59.70 57.42 2jfx h MET 163 Cb 1.17 -0.24 -0.03 0.00 -1.87 0.00 0.00 31.60 30.64 2jfx h MET 163 CO 0.11 0.82 0.10 1.25 1.07 0.00 0.00 176.91 180.27 2jfx h HIS 164 N 1.16 1.05 -0.36 -0.22 2.76 -1.23 0.25 115.15 118.55 2jfx h HIS 164 Ca 0.30 -0.13 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2jfx h HIS 164 Cb -0.02 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 2jfx h HIS 164 CO 0.00 0.89 0.20 -0.92 -1.30 0.00 0.00 177.93 176.80 2jfx h TYR 165 N 0.93 0.38 0.15 5.26 3.20 -0.18 -1.97 116.97 124.75 2jfx h TYR 165 Ca 0.19 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.77 2jfx h TYR 165 Cb 0.40 -0.12 0.03 0.00 1.54 0.00 0.00 36.73 38.58 2jfx h TYR 165 CO 0.03 0.22 -1.29 1.88 -1.64 0.00 0.00 178.16 177.36 2jfx h TYR 166 N 0.42 0.88 0.22 -3.82 -1.99 -1.09 -3.40 116.97 108.18 2jfx h TYR 166 Ca 0.14 -0.59 -0.34 0.00 2.00 0.00 0.00 58.73 59.95 2jfx h TYR 166 Cb 0.01 -0.06 0.02 0.00 2.00 0.00 0.00 36.73 38.71 2jfx h TYR 166 CO -0.08 1.44 -1.55 0.74 -0.00 0.00 0.00 178.16 178.71 2jfx h PHE 167 N 0.20 0.84 -0.98 4.88 0.05 -0.51 -3.38 116.94 118.04 2jfx h PHE 167 Ca -0.19 -0.61 0.32 0.00 3.82 0.00 0.00 57.97 61.31 2jfx h PHE 167 Cb 1.97 -0.03 -0.15 0.00 2.00 0.00 0.00 35.95 39.74 2jfx h PHE 167 CO 0.10 1.56 0.48 1.15 -0.18 0.00 0.00 178.31 181.43 2jfx h THR 168 N 0.13 0.24 0.00 -1.55 2.02 -1.55 0.79 112.91 112.98 2jfx h THR 168 Ca -0.27 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2jfx h THR 168 Cb 2.13 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2jfx h THR 168 CO 0.24 0.04 0.00 -2.65 0.37 0.00 0.00 175.52 173.52 2jfx n PRO 169 N -5.14 0.17 -1.67 6.66 -0.02 -1.26 -4.82 135.00 128.93 2jfx n PRO 169 Ca 0.31 0.37 -0.54 0.00 -2.02 0.00 0.00 63.50 61.61 2jfx n PRO 169 Cb 0.97 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.58 2jfx n PRO 169 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2jfx n LEU 170 N -2.13 2.63 0.05 2.45 7.94 0.27 -4.91 117.00 123.31 2jfx n LEU 170 Ca 0.03 0.96 -0.10 0.00 -1.11 0.00 0.00 56.01 55.79 2jfx n LEU 170 Cb 0.24 -1.21 -0.07 0.00 0.53 0.00 0.00 43.42 42.91 2jfx n LEU 170 CO 0.20 -0.36 0.33 -0.08 -1.11 0.00 0.00 177.39 176.37 2jfx h GLU 171 N 8.43 -0.21 -5.85 1.96 4.81 -1.87 -3.46 114.58 118.39 2jfx h GLU 171 Ca -0.44 0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.17 2jfx h GLU 171 Cb 1.31 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 2jfx h GLU 171 CO 0.97 0.19 -0.36 0.96 -0.73 0.00 0.00 179.01 180.04 2jfx s ILE 172 N -3.10 5.28 -0.59 2.32 -5.25 -1.26 -5.04 121.20 113.56 2jfx s ILE 172 Ca -0.11 0.39 -0.27 0.00 -0.99 0.00 0.00 60.65 59.67 2jfx s ILE 172 Cb 0.00 -3.56 0.03 0.00 2.95 0.00 0.00 42.46 41.89 2jfx s ILE 172 CO 0.41 0.51 1.14 -0.22 -1.79 0.00 0.00 174.94 174.99 2jfx s LEU 173 N -1.32 3.59 0.49 0.37 2.96 -1.26 -5.00 118.68 118.52 2jfx s LEU 173 Ca 0.22 -0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 53.81 2jfx s LEU 173 Cb -0.14 -3.00 -0.07 0.00 0.50 0.00 0.00 46.19 43.48 2jfx s LEU 173 CO 0.11 -1.46 1.41 -2.16 -1.32 0.00 0.00 176.35 172.93 2jfx s PRO 174 N 4.79 3.44 -0.08 0.98 0.04 -1.26 -4.79 135.00 138.12 2jfx s PRO 174 Ca 0.39 2.36 0.13 0.00 0.04 0.00 0.00 61.00 63.92 2jfx s PRO 174 Cb -0.09 -2.48 -0.19 0.00 0.04 0.00 0.00 34.50 31.77 2jfx s PRO 174 CO 0.22 -1.00 0.18 0.39 0.04 0.00 0.00 177.00 176.84 2jfx n GLU 175 N -0.56 1.13 -4.27 4.56 1.02 0.14 -4.78 120.64 117.88 2jfx n GLU 175 Ca 0.07 -0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2jfx n GLU 175 Cb 0.43 -1.34 -0.17 0.00 -0.02 0.00 0.00 31.44 30.34 2jfx n GLU 175 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jfx s VAL 176 N -2.66 0.76 -0.15 2.62 1.01 -0.46 -0.33 120.40 121.20 2jfx s VAL 176 Ca -0.06 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2jfx s VAL 176 Cb 0.07 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2jfx s VAL 176 CO 0.57 0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 175.14 2jfx s ILE 177 N 0.94 1.79 -0.24 2.22 1.01 0.18 0.36 121.20 127.46 2jfx s ILE 177 Ca -0.10 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 2jfx s ILE 177 Cb -0.15 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2jfx s ILE 177 CO 0.00 0.50 0.32 -0.63 0.00 0.00 0.00 174.94 175.13 2jfx s ILE 178 N 1.19 5.24 -1.41 2.92 1.01 0.66 -1.43 121.20 129.38 2jfx s ILE 178 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 60.65 61.02 2jfx s ILE 178 Cb -0.14 -3.65 0.07 0.00 0.01 0.00 0.00 42.46 38.76 2jfx s ILE 178 CO -0.08 0.24 2.14 0.18 0.00 0.00 0.00 174.94 177.43 2jfx n LEU 179 N 4.75 6.85 -1.92 2.97 4.77 -0.95 -1.50 117.00 131.97 2jfx n LEU 179 Ca -0.10 -4.29 -0.09 0.00 -0.03 0.00 0.00 56.01 51.49 2jfx n LEU 179 Cb 0.51 -1.61 -0.13 0.00 -2.33 0.00 0.00 43.42 39.87 2jfx n LEU 179 CO 0.37 1.21 1.44 0.61 -1.33 0.00 0.00 177.39 179.69 2jfx n GLY 180 N 3.71 2.81 3.63 -0.72 0.00 0.15 -4.33 105.19 110.43 2jfx n GLY 180 Ca 0.49 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 2jfx n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfx h THR 182 N 3.74 0.41 0.00 0.00 1.35 -1.85 -3.05 112.91 113.51 2jfx h THR 182 Ca -0.28 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.31 2jfx h THR 182 Cb 1.17 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.47 2jfx h THR 182 CO 0.10 0.00 -1.48 0.45 -0.25 0.00 0.00 175.52 174.34 2jfx h HIS 183 N 0.00 0.01 -0.39 4.73 3.86 -1.95 -3.39 115.15 118.03 2jfx h HIS 183 Ca 0.03 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 2jfx h HIS 183 Cb 0.19 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2jfx h HIS 183 CO 0.00 1.01 0.33 0.74 0.86 0.00 0.00 177.93 180.86 2jfx h PHE 184 N 0.00 0.00 -0.21 2.45 0.05 -1.88 -2.04 116.94 115.32 2jfx h PHE 184 Ca -0.20 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.65 2jfx h PHE 184 Cb 1.93 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.88 2jfx h PHE 184 CO 0.00 0.00 0.15 -1.35 -0.18 0.00 0.00 178.31 176.93 2jfx h PRO 185 N 0.00 0.03 0.00 1.51 0.11 -1.77 -1.32 132.00 130.56 2jfx h PRO 185 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2jfx h PRO 185 Cb 0.83 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2jfx h PRO 185 CO -0.00 0.02 0.00 -0.07 -0.21 0.00 0.00 178.00 177.74 2jfx h LEU 186 N 0.03 0.00 -2.93 2.35 4.07 -1.67 -2.73 115.31 114.43 2jfx h LEU 186 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 2jfx h LEU 186 Cb 0.35 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 2jfx h LEU 186 CO -0.00 0.00 -0.32 2.30 -1.08 0.00 0.00 178.44 179.34 2jfx n ILE 187 N -2.71 1.75 0.06 1.22 -5.35 -0.52 -4.78 119.36 109.03 2jfx n ILE 187 Ca 0.00 -2.42 -0.12 0.00 -0.27 0.00 0.00 62.75 59.94 2jfx n ILE 187 Cb 0.20 -0.10 -0.06 0.00 -1.74 0.00 0.00 39.64 37.94 2jfx n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jfx h ALA 188 N 0.48 -0.08 -0.45 -1.28 0.00 -1.20 0.78 119.26 117.51 2jfx h ALA 188 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2jfx h ALA 188 Cb 1.09 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2jfx h ALA 188 CO 0.01 -0.55 -0.04 1.96 0.00 0.00 0.00 179.25 180.62 2jfx h GLN 189 N -0.10 0.06 -0.53 0.00 7.50 -1.86 -0.62 115.11 119.56 2jfx h GLN 189 Ca 0.01 -0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 2jfx h GLN 189 Cb 0.11 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 2jfx h GLN 189 CO -0.03 0.04 0.11 0.87 -1.50 0.00 0.00 178.83 178.32 2jfx h LYS 190 N 0.06 0.82 -0.36 1.46 1.79 -1.80 -1.62 116.57 116.92 2jfx h LYS 190 Ca 0.22 -0.17 -0.12 0.00 -2.18 0.00 0.00 60.65 58.39 2jfx h LYS 190 Cb 0.33 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2jfx h LYS 190 CO -0.41 0.75 -0.27 0.82 -1.08 0.00 0.00 179.45 179.27 2jfx h ILE 191 N 0.79 1.28 -0.25 1.86 2.04 -0.02 -1.46 117.51 121.75 2jfx h ILE 191 Ca 0.17 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 2jfx h ILE 191 Cb 0.32 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2jfx h ILE 191 CO 0.00 0.46 0.06 -0.33 0.00 0.00 0.00 178.15 178.34 2jfx h GLU 192 N 0.64 0.40 -0.65 2.37 5.08 -0.87 -2.89 114.58 118.65 2jfx h GLU 192 Ca 0.08 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jfx h GLU 192 Cb 0.78 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2jfx h GLU 192 CO 0.06 0.51 0.43 0.78 -1.00 0.00 0.00 179.01 179.79 2jfx h GLY 193 N 0.22 0.91 0.21 -3.84 0.00 -1.14 -1.51 103.07 97.92 2jfx h GLY 193 Ca 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2jfx h GLY 193 CO 0.00 0.31 -0.20 -1.82 0.00 0.00 0.00 176.54 174.83 2jfx h TYR 194 N 0.85 -0.56 -0.92 5.60 3.20 -1.05 0.33 116.97 124.42 2jfx h TYR 194 Ca 0.25 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2jfx h TYR 194 Cb -0.04 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2jfx h TYR 194 CO -0.00 -0.27 0.60 0.74 -1.64 0.00 0.00 178.16 177.58 2jfx h PHE 195 N -0.41 1.16 0.50 -3.82 -1.00 -1.55 0.16 116.94 111.98 2jfx h PHE 195 Ca -0.03 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2jfx h PHE 195 Cb 0.35 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2jfx h PHE 195 CO -0.13 0.74 -0.34 1.98 -1.61 0.00 0.00 178.31 178.95 2jfx h MET 196 N 1.25 -0.78 0.00 1.51 4.05 -1.08 -0.46 114.93 119.43 2jfx h MET 196 Ca 0.33 0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.79 2jfx h MET 196 Cb -0.13 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2jfx h MET 196 CO -0.07 -0.52 -0.09 0.78 0.23 0.00 0.00 176.91 177.25 2jfx h GLY 197 N -0.80 0.00 1.42 1.39 0.00 -0.17 0.10 103.07 105.01 2jfx h GLY 197 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2jfx h GLY 197 CO 0.03 0.00 -0.42 1.42 0.00 0.00 0.00 176.54 177.58 2jfx n HIS 198 N -3.19 0.61 -0.75 5.60 -0.00 0.53 -4.18 115.22 113.83 2jfx n HIS 198 Ca 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 2jfx n HIS 198 Cb 0.39 -0.71 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 2jfx n HIS 198 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2jfx n PHE 199 N -2.09 0.00 -2.20 4.41 3.01 -0.21 -5.00 117.46 115.38 2jfx n PHE 199 Ca 0.04 -0.12 -0.19 0.00 1.01 0.00 0.00 57.45 58.20 2jfx n PHE 199 Cb 0.43 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.86 2jfx n PHE 199 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jfx n ALA 200 N -0.12 -0.50 -2.18 4.37 0.00 -0.07 -4.92 120.51 117.09 2jfx n ALA 200 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2jfx n ALA 200 Cb 0.43 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 2jfx n ALA 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jfx s LEU 201 N -5.18 4.14 0.17 0.00 1.43 -0.64 -4.89 118.68 113.70 2jfx s LEU 201 Ca 0.00 1.85 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 2jfx s LEU 201 Cb 0.00 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.76 2jfx s LEU 201 CO 0.00 -0.98 1.78 1.55 0.23 0.00 0.00 176.35 178.93 2jfx h PRO 202 N 9.49 0.81 -5.98 1.29 0.13 -1.91 -3.42 132.00 132.41 2jfx h PRO 202 Ca -0.33 -0.10 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 2jfx h PRO 202 Cb 1.15 -0.16 -0.13 0.00 0.13 0.00 0.00 31.00 31.98 2jfx h PRO 202 CO 0.98 0.63 -0.61 -0.08 -0.23 0.00 0.00 178.00 178.68 2jfx s THR 203 N -5.84 4.43 0.31 1.56 -1.32 -1.26 -5.11 115.64 108.41 2jfx s THR 203 Ca -0.13 -0.29 -0.24 0.00 -1.21 0.00 0.00 61.69 59.81 2jfx s THR 203 Cb 0.13 -2.91 -0.10 0.00 -1.51 0.00 0.00 72.50 68.11 2jfx s THR 203 CO 0.77 0.54 0.90 -2.16 -2.21 0.00 0.00 174.62 172.45 2jfx s PRO 204 N -1.12 4.49 0.88 7.08 0.04 -1.26 -4.93 135.00 140.17 2jfx s PRO 204 Ca 0.16 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 2jfx s PRO 204 Cb -0.11 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.68 2jfx s PRO 204 CO 0.05 0.28 0.52 -2.30 0.04 0.00 0.00 177.00 175.59 2jfx n PRO 205 N 0.50 -0.09 -2.78 0.56 -0.02 -1.26 -4.90 135.00 127.00 2jfx n PRO 205 Ca 0.01 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 2jfx n PRO 205 Cb 0.51 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 2jfx n PRO 205 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jfx s LEU 206 N -1.30 4.33 -0.15 2.45 2.96 0.55 -4.88 118.68 122.65 2jfx s LEU 206 Ca 0.61 1.53 -0.03 0.00 -0.22 0.00 0.00 54.13 56.02 2jfx s LEU 206 Cb -0.26 -3.46 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 2jfx s LEU 206 CO 0.63 -0.26 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.58 2jfx s LEU 207 N 1.15 3.11 -0.31 -0.68 1.43 -1.26 0.52 118.68 122.64 2jfx s LEU 207 Ca 0.48 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 2jfx s LEU 207 Cb -0.20 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2jfx s LEU 207 CO 0.24 0.18 0.33 -0.63 0.23 0.00 0.00 176.35 176.69 2jfx s ILE 208 N 0.31 5.20 -0.41 -0.59 -1.09 -0.51 -4.97 121.20 119.14 2jfx s ILE 208 Ca -0.05 0.23 -0.21 0.00 -2.23 0.00 0.00 60.65 58.39 2jfx s ILE 208 Cb -0.15 -3.72 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 2jfx s ILE 208 CO 0.04 0.06 0.66 -2.28 -1.23 0.00 0.00 174.94 172.18 2jfx s HIS 209 N 1.97 3.09 0.24 3.97 5.65 -1.26 -2.24 115.29 126.71 2jfx s HIS 209 Ca 0.12 0.14 -0.05 0.00 0.25 0.00 0.00 55.06 55.51 2jfx s HIS 209 Cb -0.16 -3.30 0.45 0.00 -1.18 0.00 0.00 32.58 28.39 2jfx s HIS 209 CO 0.11 -0.78 1.69 0.77 -0.65 0.00 0.00 174.74 175.87 2jfx h SER 210 N 8.72 0.01 -0.18 9.88 0.02 -1.90 0.00 113.55 130.10 2jfx h SER 210 Ca -0.26 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2jfx h SER 210 Cb 1.10 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2jfx h SER 210 CO 0.88 -0.03 -0.02 1.23 -1.14 0.00 0.00 176.83 177.75 2jfx h GLY 211 N 0.27 0.16 0.93 -3.77 0.00 -1.92 -0.46 103.07 98.27 2jfx h GLY 211 Ca 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 2jfx h GLY 211 CO -0.50 -0.05 0.10 -0.55 0.00 0.00 0.00 176.54 175.54 2jfx h ASP 212 N 0.04 0.26 -0.68 0.19 3.32 -1.67 -2.56 116.42 115.32 2jfx h ASP 212 Ca 0.08 -0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.16 2jfx h ASP 212 Cb 0.11 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 2jfx h ASP 212 CO -0.16 0.30 0.19 0.00 -1.72 0.00 0.00 179.24 177.85 2jfx h ALA 213 N 0.97 0.86 0.00 3.45 0.00 -0.58 0.18 119.26 124.15 2jfx h ALA 213 Ca 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jfx h ALA 213 Cb 0.10 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jfx h ALA 213 CO -0.01 -0.29 -0.17 0.97 0.00 0.00 0.00 179.25 179.76 2jfx h ILE 214 N 0.31 0.44 0.05 0.00 2.10 -0.95 -2.60 117.51 116.86 2jfx h ILE 214 Ca 0.37 -0.93 -0.00 0.00 1.08 0.00 0.00 64.86 65.37 2jfx h ILE 214 Cb 0.57 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 2jfx h ILE 214 CO -0.43 0.16 -0.03 0.58 -1.08 0.00 0.00 178.15 177.36 2jfx h VAL 215 N 0.00 1.26 -0.44 2.19 2.07 -0.28 0.74 116.25 121.79 2jfx h VAL 215 Ca -0.00 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.44 2jfx h VAL 215 Cb 0.65 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 2jfx h VAL 215 CO 0.02 0.29 0.00 -0.33 0.02 0.00 0.00 177.57 177.57 2jfx h GLU 216 N -0.60 0.11 -0.36 1.57 5.08 -1.10 0.43 114.58 119.70 2jfx h GLU 216 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jfx h GLU 216 Cb 0.52 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2jfx h GLU 216 CO 0.01 0.07 0.23 -0.92 -1.00 0.00 0.00 179.01 177.40 2jfx h TYR 217 N 0.11 0.47 0.00 4.33 3.20 -1.45 -1.09 116.97 122.54 2jfx h TYR 217 Ca 0.22 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2jfx h TYR 217 Cb 0.32 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2jfx h TYR 217 CO -0.28 0.33 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.46 2jfx h LEU 218 N 0.48 0.00 -0.30 2.82 4.07 0.27 -2.05 115.31 120.59 2jfx h LEU 218 Ca 0.13 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 2jfx h LEU 218 Cb -0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2jfx h LEU 218 CO -0.03 0.03 -0.27 -0.61 -1.08 0.00 0.00 178.44 176.49 2jfx h GLN 219 N 0.00 0.71 0.32 1.13 5.75 0.11 0.82 115.11 123.96 2jfx h GLN 219 Ca -0.00 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.12 2jfx h GLN 219 Cb 0.27 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2jfx h GLN 219 CO 0.00 0.98 -0.15 1.96 -2.65 0.00 0.00 178.83 178.97 2jfx h GLN 220 N 0.46 -0.41 0.00 1.69 4.20 -1.05 -2.52 115.11 117.48 2jfx h GLN 220 Ca 0.05 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2jfx h GLN 220 Cb 0.83 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2jfx h GLN 220 CO 0.07 -0.09 0.00 1.63 -0.67 0.00 0.00 178.83 179.77 2jfx n LYS 221 N -5.13 0.08 -2.67 1.46 4.76 -0.98 -4.92 118.16 110.75 2jfx n LYS 221 Ca -0.09 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2jfx n LYS 221 Cb 0.27 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2jfx n LYS 221 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2jfx n TYR 222 N -1.40 0.00 -3.25 2.13 -0.00 0.27 -2.80 117.16 112.11 2jfx n TYR 222 Ca 0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.70 2jfx n TYR 222 Cb 0.11 -0.82 0.05 0.00 -0.00 0.00 0.00 39.34 38.67 2jfx n TYR 222 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jfx n ALA 223 N 1.34 -1.09 0.00 2.98 0.00 -1.12 -5.04 120.51 117.58 2jfx n ALA 223 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2jfx n ALA 223 Cb 0.34 -4.34 0.00 0.00 0.00 0.00 0.00 19.45 15.45 2jfx n ALA 223 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jfx n LEU 224 N -4.33 0.00 -0.23 0.00 4.77 -1.12 -5.01 117.00 111.07 2jfx n LEU 224 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2jfx n LEU 224 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2jfx n LEU 224 CO 0.54 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.95 2jfx n PRO 232 N 0.00 0.00 -2.78 3.23 -0.02 -1.26 -5.60 135.00 128.57 2jfx n PRO 232 Ca 0.00 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 2jfx n PRO 232 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2jfx n PRO 232 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jfx s LYS 233 N -3.54 3.22 -0.11 -0.52 2.20 -1.12 -4.89 119.74 114.98 2jfx s LYS 233 Ca 0.00 -0.83 -0.19 0.00 -0.36 0.00 0.00 55.97 54.59 2jfx s LYS 233 Cb 0.00 -4.38 -0.04 0.00 -1.51 0.00 0.00 37.83 31.90 2jfx s LYS 233 CO 0.00 -1.91 0.49 0.08 -0.36 0.00 0.00 175.35 173.65 2jfx s VAL 234 N 4.34 5.18 -0.24 4.02 1.01 -1.26 -0.56 120.40 132.89 2jfx s VAL 234 Ca 0.28 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2jfx s VAL 234 Cb -0.12 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.48 2jfx s VAL 234 CO 0.08 0.32 -0.08 -0.70 0.00 0.00 0.00 175.10 174.72 2jfx s GLU 235 N 0.63 1.91 0.11 2.72 2.12 0.13 -4.95 118.70 121.37 2jfx s GLU 235 Ca 0.27 -1.12 -0.25 0.00 0.36 0.00 0.00 54.97 54.23 2jfx s GLU 235 Cb -0.15 -2.70 -0.07 0.00 0.26 0.00 0.00 34.13 31.47 2jfx s GLU 235 CO 0.11 -0.57 0.77 -0.06 -0.54 0.00 0.00 175.26 174.96 2jfx s PHE 236 N 1.28 3.83 0.16 5.30 0.40 -1.26 -0.69 117.98 127.00 2jfx s PHE 236 Ca -0.07 1.56 0.00 0.00 -0.60 0.00 0.00 56.93 57.82 2jfx s PHE 236 Cb -0.19 -2.78 -0.04 0.00 0.51 0.00 0.00 43.02 40.51 2jfx s PHE 236 CO -0.06 0.42 0.04 -1.01 0.70 0.00 0.00 175.22 175.31 2jfx s HIS 237 N -0.68 1.07 -0.13 0.36 3.76 0.99 -4.95 115.29 115.71 2jfx s HIS 237 Ca 0.37 -1.15 -0.30 0.00 -0.15 0.00 0.00 55.06 53.83 2jfx s HIS 237 Cb -0.22 -0.60 0.12 0.00 1.11 0.00 0.00 32.58 32.99 2jfx s HIS 237 CO 0.25 -0.38 0.97 0.00 -0.85 0.00 0.00 174.74 174.73 2jfx s ALA 238 N -3.87 -1.91 -0.37 -1.40 0.00 -1.26 -2.42 121.76 110.54 2jfx s ALA 238 Ca 0.26 1.47 0.23 0.00 0.00 0.00 0.00 51.96 53.91 2jfx s ALA 238 Cb 0.07 -0.45 0.22 0.00 0.00 0.00 0.00 23.12 22.96 2jfx s ALA 238 CO 0.04 -0.39 1.42 0.66 0.00 0.00 0.00 175.76 177.48 2jfx h SER 239 N 2.45 0.00 -5.67 0.00 4.64 -1.74 -3.44 113.55 109.78 2jfx h SER 239 Ca -0.19 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.57 2jfx h SER 239 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 2jfx h SER 239 CO 0.31 0.01 -0.28 0.61 -0.87 0.00 0.00 176.83 176.61 2jfx n GLY 240 N 1.13 2.84 3.69 -0.77 0.00 -1.26 -4.53 105.19 106.29 2jfx n GLY 240 Ca 0.03 -2.30 -0.64 0.00 0.00 0.00 0.00 46.02 43.10 2jfx n GLY 240 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jfx n ASP 241 N -1.78 1.50 0.26 1.61 2.03 -1.26 -4.78 116.55 114.12 2jfx n ASP 241 Ca -0.04 1.09 0.15 0.00 0.52 0.00 0.00 54.79 56.51 2jfx n ASP 241 Cb 0.61 -0.96 0.58 0.00 -0.72 0.00 0.00 41.12 40.63 2jfx n ASP 241 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jfx h VAL 242 N 5.31 0.11 0.03 5.18 2.07 -1.94 -2.92 116.25 124.10 2jfx h VAL 242 Ca -0.41 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2jfx h VAL 242 Cb 1.36 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2jfx h VAL 242 CO 0.99 0.04 -0.02 0.40 0.02 0.00 0.00 177.57 179.01 2jfx h ILE 243 N 0.00 1.27 -0.57 4.57 1.08 -2.00 -2.19 117.51 119.67 2jfx h ILE 243 Ca -0.00 -0.97 -0.02 0.00 -0.39 0.00 0.00 64.86 63.47 2jfx h ILE 243 Cb 0.62 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.25 2jfx h ILE 243 CO 0.01 0.25 0.25 -0.50 -0.69 0.00 0.00 178.15 177.47 2jfx h TRP 244 N -0.47 0.81 0.11 1.37 4.06 -1.92 -2.33 115.95 117.58 2jfx h TRP 244 Ca -0.00 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 2jfx h TRP 244 Cb 0.44 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 2jfx h TRP 244 CO 0.07 0.61 -0.05 1.25 -3.56 0.00 0.00 178.44 176.76 2jfx h LEU 245 N 0.81 -0.12 -1.34 -4.49 6.46 -1.51 -3.10 115.31 112.02 2jfx h LEU 245 Ca 0.20 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 2jfx h LEU 245 Cb 0.12 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 2jfx h LEU 245 CO -0.02 0.38 0.22 -0.08 -0.62 0.00 0.00 178.44 178.32 2jfx h GLU 246 N -0.68 0.67 -0.22 1.25 4.81 -1.39 -2.15 114.58 116.88 2jfx h GLU 246 Ca -0.01 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2jfx h GLU 246 Cb 0.52 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 2jfx h GLU 246 CO 0.02 0.53 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.58 2jfx h ARG 247 N 0.68 -0.16 -0.52 1.92 2.43 -1.46 -1.67 114.38 115.60 2jfx h ARG 247 Ca 0.17 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 2jfx h ARG 247 Cb 0.09 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 2jfx h ARG 247 CO -0.02 -0.11 -0.07 1.96 -1.51 0.00 0.00 179.97 180.22 2jfx h GLN 248 N -0.17 0.05 -0.96 0.20 1.08 -1.32 -1.94 115.11 112.06 2jfx h GLN 248 Ca 0.13 -0.00 0.30 0.00 -1.45 0.00 0.00 58.65 57.62 2jfx h GLN 248 Cb 0.36 -0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.62 2jfx h GLN 248 CO -0.32 0.03 0.42 0.00 -0.95 0.00 0.00 178.83 178.02 2jfx h ALA 249 N 1.50 1.71 -0.97 3.87 0.00 -1.03 0.30 119.26 124.63 2jfx h ALA 249 Ca 0.26 0.22 0.23 0.00 0.00 0.00 0.00 54.91 55.62 2jfx h ALA 249 Cb 0.40 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 2jfx h ALA 249 CO -0.49 -0.58 0.53 -0.22 0.00 0.00 0.00 179.25 178.50 2jfx h LYS 250 N 0.23 0.53 0.06 0.00 3.64 -1.26 0.21 116.57 119.99 2jfx h LYS 250 Ca 0.68 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.91 2jfx h LYS 250 Cb 1.52 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.23 2jfx h LYS 250 CO -0.66 0.35 -0.49 0.93 -2.27 0.00 0.00 179.45 177.31 2jfx h GLU 251 N 0.55 0.23 0.30 1.90 3.07 -0.56 -1.41 114.58 118.66 2jfx h GLU 251 Ca 0.61 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 2jfx h GLU 251 Cb 1.12 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2jfx h GLU 251 CO -0.48 1.10 -0.14 -1.49 -1.40 0.00 0.00 179.01 176.60 2jfx h TRP 252 N -0.49 -0.37 0.00 4.33 4.06 -1.16 -2.54 115.95 119.78 2jfx h TRP 252 Ca -0.08 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.86 2jfx h TRP 252 Cb 1.32 0.12 0.00 0.00 -1.00 0.00 0.00 29.16 29.60 2jfx h TRP 252 CO 0.20 -0.13 0.00 -0.07 -3.56 0.00 0.00 178.44 174.88 2jfx h LEU 253 N -0.56 0.00 -9.17 -4.49 4.07 -0.76 -3.46 115.31 100.94 2jfx h LEU 253 Ca -0.04 0.00 -0.73 0.00 0.08 0.00 0.00 57.88 57.19 2jfx h LEU 253 Cb 0.41 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.19 2jfx h LEU 253 CO 0.07 0.00 0.56 1.17 -1.08 0.00 0.00 178.44 179.16 2jfx n LYS 254 N -3.02 0.91 0.00 1.13 3.00 -0.53 -5.00 118.16 114.65 2jfx n LYS 254 Ca -0.00 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 2jfx n LYS 254 Cb 0.25 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.32 2jfx n LYS 254 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29