#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 1.76 0.30 0.03 2.20 -1.26 -2.66 119.74 120.11 2jfx s LYS 2 Ca 0.00 -0.40 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2jfx s LYS 2 Cb 0.00 -1.82 -0.06 0.00 -1.51 0.00 0.00 37.83 34.44 2jfx s LYS 2 CO 0.00 -0.28 0.01 0.96 -0.36 0.00 0.00 175.35 175.67 2jfx s ILE 3 N 1.62 1.38 -0.04 5.43 -4.36 0.30 -1.45 121.20 124.09 2jfx s ILE 3 Ca 0.04 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 2jfx s ILE 3 Cb -0.13 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.92 2jfx s ILE 3 CO -0.09 -0.15 -0.15 -0.83 0.24 0.00 0.00 174.94 173.96 2jfx s GLY 4 N -3.46 1.53 -0.20 6.27 0.00 -0.89 0.48 107.32 111.04 2jfx s GLY 4 Ca 0.33 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 2jfx s GLY 4 CO 0.13 -0.82 -0.14 0.14 0.00 0.00 0.00 173.10 172.41 2jfx s VAL 5 N -0.76 2.46 0.02 1.40 1.01 0.66 0.12 120.40 125.31 2jfx s VAL 5 Ca 0.12 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2jfx s VAL 5 Cb -0.11 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2jfx s VAL 5 CO 0.01 0.44 -0.05 0.12 0.00 0.00 0.00 175.10 175.62 2jfx s PHE 6 N 1.32 2.92 0.15 5.22 5.36 0.43 -0.82 117.98 132.56 2jfx s PHE 6 Ca 0.04 -0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 55.74 2jfx s PHE 6 Cb -0.14 -1.60 0.07 0.00 -0.34 0.00 0.00 43.02 41.01 2jfx s PHE 6 CO -0.09 0.40 0.74 0.34 -1.46 0.00 0.00 175.22 175.15 2jfx s ASP 7 N -1.60 -0.40 0.47 6.13 2.15 -0.92 -0.18 116.67 122.32 2jfx s ASP 7 Ca 0.19 -0.19 0.26 0.00 0.43 0.00 0.00 52.55 53.24 2jfx s ASP 7 Cb -0.11 0.56 1.12 0.00 -0.30 0.00 0.00 42.92 44.19 2jfx s ASP 7 CO 0.10 -0.96 1.92 0.77 -0.17 0.00 0.00 175.17 176.82 2jfx h SER 8 N 2.00 0.00 0.00 -0.34 4.64 -1.91 -2.57 113.55 115.38 2jfx h SER 8 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2jfx h SER 8 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jfx h SER 8 CO 0.31 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 2jfx n GLY 9 N -0.13 0.93 0.20 -0.77 0.00 -1.26 -2.29 105.19 101.86 2jfx n GLY 9 Ca -0.01 0.41 0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.26 1.61 0.24 -1.26 -4.39 118.33 114.27 2jfx n VAL 10 Ca 0.00 -0.13 0.04 0.00 -2.04 0.00 0.00 64.34 62.22 2jfx n VAL 10 Cb 0.00 1.10 0.27 0.00 -1.47 0.00 0.00 33.84 33.74 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 4.67 1.20 1.59 7.63 0.00 -1.95 -1.31 103.07 114.91 2jfx h GLY 11 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2jfx h GLY 11 CO 0.00 0.28 0.13 0.61 0.00 0.00 0.00 176.54 177.57 2jfx n GLY 12 N -1.41 -0.61 0.28 4.60 0.00 -1.26 -1.34 105.19 105.45 2jfx n GLY 12 Ca 0.13 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.54 -1.16 116.94 115.89 2jfx h PHE 13 Ca 0.00 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.71 2jfx h PHE 13 Cb 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 2jfx h PHE 13 CO 0.00 0.07 -0.37 0.66 -0.18 0.00 0.00 178.31 178.49 2jfx h SER 14 N 0.00 0.00 0.06 2.17 4.64 -1.43 -0.40 113.55 118.58 2jfx h SER 14 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2jfx h SER 14 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2jfx h SER 14 CO 0.01 0.37 -0.45 0.58 -0.87 0.00 0.00 176.83 176.48 2jfx h VAL 15 N 0.00 1.59 -0.83 0.95 2.07 -1.45 -3.26 116.25 115.33 2jfx h VAL 15 Ca -0.00 -2.32 0.11 0.00 0.82 0.00 0.00 66.70 65.30 2jfx h VAL 15 Cb 0.81 3.11 -0.06 0.00 -1.52 0.00 0.00 31.29 33.63 2jfx h VAL 15 CO 0.05 0.64 0.54 0.25 0.02 0.00 0.00 177.57 179.07 2jfx h LEU 16 N -0.55 0.68 -0.29 2.57 5.85 -1.11 -0.86 115.31 121.59 2jfx h LEU 16 Ca -0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2jfx h LEU 16 Cb 1.30 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2jfx h LEU 16 CO 0.09 0.39 0.13 0.50 -0.34 0.00 0.00 178.44 179.20 2jfx h LYS 17 N 0.74 0.43 -0.85 1.25 3.64 -1.16 0.80 116.57 121.43 2jfx h LYS 17 Ca 0.39 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2jfx h LYS 17 Cb 0.50 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2jfx h LYS 17 CO -0.16 0.44 0.40 0.77 -2.27 0.00 0.00 179.45 178.63 2jfx h SER 18 N 0.33 1.11 -0.77 4.20 0.02 -1.30 0.12 113.55 117.26 2jfx h SER 18 Ca 0.10 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2jfx h SER 18 Cb 0.16 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2jfx h SER 18 CO -0.01 0.94 0.42 -0.07 -1.14 0.00 0.00 176.83 176.97 2jfx h LEU 19 N 1.21 0.97 -0.06 5.07 3.38 -0.69 -1.47 115.31 123.71 2jfx h LEU 19 Ca 0.29 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 2jfx h LEU 19 Cb 0.13 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jfx h LEU 19 CO -0.04 0.78 -0.79 -0.07 0.09 0.00 0.00 178.44 178.41 2jfx h LEU 20 N 1.09 0.80 -1.11 1.67 3.38 -0.34 -2.54 115.31 118.27 2jfx h LEU 20 Ca 0.27 -0.70 0.13 0.00 0.09 0.00 0.00 57.88 57.68 2jfx h LEU 20 Cb 0.03 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 2jfx h LEU 20 CO -0.04 1.38 0.61 0.50 0.09 0.00 0.00 178.44 180.98 2jfx h LYS 21 N 0.29 0.84 0.00 1.13 1.63 -0.39 -1.62 116.57 118.46 2jfx h LYS 21 Ca -0.08 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2jfx h LYS 21 Cb 1.45 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2jfx h LYS 21 CO 0.16 0.56 -0.42 0.00 -3.45 0.00 0.00 179.45 176.30 2jfx h ALA 22 N 1.57 0.77 -5.27 5.00 0.00 -1.27 -3.48 119.26 116.58 2jfx h ALA 22 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.99 2jfx h ALA 22 Cb 0.60 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.46 2jfx h ALA 22 CO -0.25 0.00 -0.65 0.54 0.00 0.00 0.00 179.25 178.89 2jfx n ARG 23 N -2.63 -6.01 0.19 0.00 1.74 -0.61 -4.89 116.66 104.46 2jfx n ARG 23 Ca 0.03 0.81 0.05 0.00 -0.77 0.00 0.00 57.85 57.98 2jfx n ARG 23 Cb 0.50 -5.74 0.36 0.00 -1.02 0.00 0.00 32.46 26.56 2jfx n ARG 23 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2jfx h LEU 24 N -1.93 0.00 -8.30 0.55 3.38 -1.85 -3.46 115.31 103.71 2jfx h LEU 24 Ca -0.54 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.17 2jfx h LEU 24 Cb 1.36 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.93 2jfx h LEU 24 CO 0.58 0.37 -0.72 -0.36 0.09 0.00 0.00 178.44 178.40 2jfx s PHE 25 N -3.73 0.78 0.02 1.13 0.40 -1.26 -4.59 117.98 110.73 2jfx s PHE 25 Ca -0.01 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 2jfx s PHE 25 Cb 0.12 -0.46 -0.25 0.00 0.51 0.00 0.00 43.02 42.94 2jfx s PHE 25 CO 0.69 -0.11 0.92 -0.44 0.70 0.00 0.00 175.22 176.97 2jfx h ASP 26 N 3.79 0.24 -3.53 1.36 3.32 -1.84 -2.54 116.42 117.22 2jfx h ASP 26 Ca -0.36 -0.33 -0.45 0.00 0.02 0.00 0.00 57.03 55.91 2jfx h ASP 26 Cb 1.18 -0.08 -0.33 0.00 0.22 0.00 0.00 39.33 40.33 2jfx h ASP 26 CO 0.52 1.28 -0.79 -1.61 -1.72 0.00 0.00 179.24 176.92 2jfx s GLU 27 N -2.63 1.16 -0.06 3.56 2.02 -1.13 -2.38 118.70 119.24 2jfx s GLU 27 Ca -0.06 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.68 2jfx s GLU 27 Cb 0.08 -1.05 0.02 0.00 0.10 0.00 0.00 34.13 33.28 2jfx s GLU 27 CO 0.84 0.00 -0.08 0.42 0.02 0.00 0.00 175.26 176.47 2jfx s ILE 28 N 0.65 0.83 -0.48 -1.63 1.01 -0.94 -0.54 121.20 120.11 2jfx s ILE 28 Ca -0.11 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 2jfx s ILE 28 Cb -0.14 -0.81 0.12 0.00 0.01 0.00 0.00 42.46 41.65 2jfx s ILE 28 CO 0.02 0.29 0.36 -0.63 0.00 0.00 0.00 174.94 174.98 2jfx s ILE 29 N 0.88 4.31 -0.10 2.92 -1.09 0.18 -1.72 121.20 126.57 2jfx s ILE 29 Ca -0.11 -1.76 -0.22 0.00 -2.23 0.00 0.00 60.65 56.33 2jfx s ILE 29 Cb -0.15 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 2jfx s ILE 29 CO 0.01 -0.78 0.66 -0.47 -1.23 0.00 0.00 174.94 173.13 2jfx s TYR 30 N 1.39 3.53 -0.06 3.97 5.04 -0.38 -0.24 117.35 130.60 2jfx s TYR 30 Ca 0.05 1.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.85 2jfx s TYR 30 Cb -0.27 -2.77 0.02 0.00 0.35 0.00 0.00 41.96 39.29 2jfx s TYR 30 CO -0.00 0.05 -0.08 -0.47 -1.34 0.00 0.00 175.55 173.71 2jfx s TYR 31 N 0.98 1.10 -0.12 4.97 5.04 -0.00 -0.67 117.35 128.64 2jfx s TYR 31 Ca 0.34 -0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.61 2jfx s TYR 31 Cb -0.17 -0.87 0.02 0.00 0.35 0.00 0.00 41.96 41.29 2jfx s TYR 31 CO 0.15 -0.24 -0.13 0.20 -1.34 0.00 0.00 175.55 174.20 2jfx s GLY 32 N 0.81 0.99 -0.29 8.97 0.00 -0.09 -2.16 107.32 115.54 2jfx s GLY 32 Ca -0.13 -0.71 -0.06 0.00 0.00 0.00 0.00 44.72 43.82 2jfx s GLY 32 CO 0.02 0.47 3.23 1.34 0.00 0.00 0.00 173.10 178.16 2jfx n ASP 33 N 4.55 5.40 0.07 1.64 2.03 -0.97 -0.96 116.55 128.31 2jfx n ASP 33 Ca -0.17 -2.42 0.03 0.00 0.52 0.00 0.00 54.79 52.76 2jfx n ASP 33 Cb 0.51 -1.32 0.18 0.00 -0.72 0.00 0.00 41.12 39.76 2jfx n ASP 33 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jfx n SER 34 N 2.78 0.17 0.08 1.67 3.41 -0.97 -0.93 113.62 119.83 2jfx n SER 34 Ca 0.46 0.47 0.01 0.00 -0.26 0.00 0.00 58.87 59.54 2jfx n SER 34 Cb 0.71 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2jfx n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfx h ALA 35 N 1.44 0.65 0.00 7.33 0.00 -1.83 -3.36 119.26 123.48 2jfx h ALA 35 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2jfx h ALA 35 Cb 0.34 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jfx h ALA 35 CO 0.00 0.78 -0.78 0.54 0.00 0.00 0.00 179.25 179.79 2jfx n ARG 36 N -3.06 2.17 -1.64 0.00 3.00 -0.11 -4.98 116.66 112.03 2jfx n ARG 36 Ca -0.04 -0.02 -0.40 0.00 -0.01 0.00 0.00 57.85 57.39 2jfx n ARG 36 Cb 0.79 -1.18 0.03 0.00 0.00 0.00 0.00 32.46 32.10 2jfx n ARG 36 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2jfx n VAL 37 N -1.41 2.95 -2.82 1.55 3.14 -0.98 -4.62 118.33 116.14 2jfx n VAL 37 Ca 0.02 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.64 2jfx n VAL 37 Cb 0.24 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 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 -2.35 3.33 -0.16 1.45 0.04 -1.26 -5.05 135.00 131.01 2jfx s PRO 38 Ca 0.67 -0.08 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 2jfx s PRO 38 Cb -0.49 -2.45 -0.24 0.00 0.04 0.00 0.00 34.50 31.36 2jfx s PRO 38 CO 0.54 -0.23 0.21 0.66 0.04 0.00 0.00 177.00 178.22 2jfx n TYR 39 N -2.18 0.89 -0.50 0.56 4.01 -1.26 -4.45 117.16 114.22 2jfx n TYR 39 Ca 0.00 0.19 0.44 0.00 -0.16 0.00 0.00 57.90 58.37 2jfx n TYR 39 Cb 0.56 -1.12 0.77 0.00 -0.31 0.00 0.00 39.34 39.25 2jfx n TYR 39 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jfx h GLY 40 N 1.50 0.00 0.40 2.72 0.00 -1.97 0.40 103.07 106.13 2jfx h GLY 40 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2jfx h GLY 40 CO 0.04 0.00 -0.66 -1.30 0.00 0.00 0.00 176.54 174.62 2jfx n THR 41 N -4.01 0.00 -2.20 4.70 -2.24 -1.26 -0.99 114.28 108.28 2jfx n THR 41 Ca 0.34 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.82 2jfx n THR 41 Cb 1.62 0.62 0.14 0.00 -2.10 0.00 0.00 70.33 70.61 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 -2.91 1.29 0.48 -0.78 3.01 0.14 -4.97 119.74 116.00 2jfx s LYS 42 Ca 0.12 -0.61 -0.04 0.00 -1.01 0.00 0.00 55.97 54.43 2jfx s LYS 42 Cb 0.17 -2.07 -0.02 0.00 -1.01 0.00 0.00 37.83 34.90 2jfx s LYS 42 CO 0.74 -1.87 0.76 0.16 0.51 0.00 0.00 175.35 175.65 2jfx s ASP 43 N -4.77 6.06 0.14 2.83 1.47 -1.26 -4.73 116.67 116.42 2jfx s ASP 43 Ca 0.69 0.72 -0.18 0.00 1.18 0.00 0.00 52.55 54.95 2jfx s ASP 43 Cb -0.06 -2.00 0.03 0.00 -0.34 0.00 0.00 42.92 40.55 2jfx s ASP 43 CO 0.49 -0.66 1.70 -0.65 0.68 0.00 0.00 175.17 176.73 2jfx h PRO 44 N 0.24 0.03 -0.07 2.11 0.11 -1.98 -2.51 132.00 129.93 2jfx h PRO 44 Ca -0.47 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 2jfx h PRO 44 Cb 1.22 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2jfx h PRO 44 CO 0.61 0.02 -0.29 1.15 -0.21 0.00 0.00 178.00 179.28 2jfx h THR 45 N 0.03 0.34 -0.23 -1.15 2.02 -1.96 -1.56 112.91 110.40 2jfx h THR 45 Ca 0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.38 2jfx h THR 45 Cb 0.20 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 2jfx h THR 45 CO -0.27 0.00 -0.16 0.74 0.37 0.00 0.00 175.52 176.19 2jfx h THR 46 N -0.40 0.54 -0.18 3.16 2.02 -1.94 -1.79 112.91 114.33 2jfx h THR 46 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 2jfx h THR 46 Cb 0.52 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2jfx h THR 46 CO -0.29 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.00 2jfx h ILE 47 N -0.16 1.12 -0.31 3.11 2.04 -1.26 -0.15 117.51 121.90 2jfx h ILE 47 Ca 0.13 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 2jfx h ILE 47 Cb 0.35 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2jfx h ILE 47 CO -0.32 0.15 -0.12 0.11 0.00 0.00 0.00 178.15 177.97 2jfx h LYS 48 N 0.26 0.62 -0.42 2.37 1.57 -0.60 -0.35 116.57 120.03 2jfx h LYS 48 Ca 0.06 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 2jfx h LYS 48 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2jfx h LYS 48 CO 0.00 0.83 0.01 0.37 -0.57 0.00 0.00 179.45 180.09 2jfx h GLN 49 N 0.38 0.66 -0.65 3.15 5.75 -0.52 -1.26 115.11 122.62 2jfx h GLN 49 Ca 0.07 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 2jfx h GLN 49 Cb 0.63 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 2jfx h GLN 49 CO 0.04 0.68 0.18 0.74 -2.65 0.00 0.00 178.83 177.82 2jfx h PHE 50 N 0.63 1.04 0.13 3.99 0.04 -0.79 -1.51 116.94 120.46 2jfx h PHE 50 Ca 0.13 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2jfx h PHE 50 Cb 0.38 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 2jfx h PHE 50 CO 0.02 0.84 -0.08 0.78 -0.60 0.00 0.00 178.31 179.27 2jfx h GLY 51 N 1.05 -0.20 0.74 -1.45 0.00 -0.02 -0.88 103.07 102.31 2jfx h GLY 51 Ca 0.21 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.65 2jfx h GLY 51 CO -0.00 -0.08 -0.06 1.41 0.00 0.00 0.00 176.54 177.81 2jfx h LEU 52 N -0.20 -0.18 -1.62 3.11 -0.00 -0.97 -1.98 115.31 113.47 2jfx h LEU 52 Ca -0.01 0.04 0.11 0.00 -0.00 0.00 0.00 57.88 58.02 2jfx h LEU 52 Cb 0.17 0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.88 2jfx h LEU 52 CO 0.01 -0.08 0.43 -0.33 -0.00 0.00 0.00 178.44 178.47 2jfx h GLU 53 N -0.06 0.41 -0.62 1.13 5.08 -1.11 -0.35 114.58 119.05 2jfx h GLU 53 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2jfx h GLU 53 Cb 0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2jfx h GLU 53 CO -0.12 0.27 0.33 0.00 -1.00 0.00 0.00 179.01 178.49 2jfx h ALA 54 N 1.68 1.41 -0.09 3.43 0.00 -0.37 -2.26 119.26 123.05 2jfx h ALA 54 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jfx h ALA 54 Cb 0.62 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jfx h ALA 54 CO -0.09 0.48 0.05 -0.07 0.00 0.00 0.00 179.25 179.62 2jfx h LEU 55 N 0.87 0.07 -1.49 0.00 3.38 -0.94 -2.11 115.31 115.10 2jfx h LEU 55 Ca 0.22 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.41 2jfx h LEU 55 Cb 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2jfx h LEU 55 CO -0.03 0.06 0.61 0.44 0.09 0.00 0.00 178.44 179.61 2jfx h ASP 56 N 0.10 0.42 -0.15 -0.43 5.19 -1.27 -0.23 116.42 120.04 2jfx h ASP 56 Ca 0.04 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 2jfx h ASP 56 Cb 0.00 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2jfx h ASP 56 CO -0.02 0.15 -0.04 0.15 -3.12 0.00 0.00 179.24 176.35 2jfx h PHE 57 N 0.41 0.45 0.00 4.55 3.57 -1.10 -3.04 116.94 121.78 2jfx h PHE 57 Ca 0.49 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2jfx h PHE 57 Cb 1.23 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2jfx h PHE 57 CO -0.00 0.49 -0.53 1.19 -2.23 0.00 0.00 178.31 177.23 2jfx n PHE 58 N -4.28 0.47 -0.30 0.41 3.01 -0.12 -4.40 117.46 112.25 2jfx n PHE 58 Ca 0.01 0.14 0.04 0.00 1.01 0.00 0.00 57.45 58.64 2jfx n PHE 58 Cb 0.25 -0.61 0.11 0.00 -0.01 0.00 0.00 39.48 39.23 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 0.00 0.00 -0.01 -1.08 1.79 -1.38 0.32 116.57 116.22 2jfx h LYS 59 Ca 0.00 -0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2jfx h LYS 59 Cb 0.69 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 2jfx h LYS 59 CO 0.00 0.00 -0.57 -1.00 -1.08 0.00 0.00 179.45 176.80 2jfx h PRO 60 N 0.00 0.02 0.00 3.15 0.13 -1.80 -3.18 132.00 130.32 2jfx h PRO 60 Ca 0.41 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.46 2jfx h PRO 60 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2jfx h PRO 60 CO -0.86 0.58 -0.30 0.45 -0.23 0.00 0.00 178.00 177.64 2jfx h HIS 61 N 0.02 0.00 -5.87 1.56 3.86 -1.21 -3.48 115.15 110.03 2jfx h HIS 61 Ca -0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 2jfx h HIS 61 Cb 1.01 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.49 2jfx h HIS 61 CO 0.00 0.30 -0.74 -1.91 0.86 0.00 0.00 177.93 176.44 2jfx n GLU 62 N -3.72 -2.02 -3.92 2.45 4.07 -0.89 -5.01 120.64 111.60 2jfx n GLU 62 Ca -0.01 1.68 -0.25 0.00 -0.06 0.00 0.00 57.16 58.52 2jfx n GLU 62 Cb 0.41 -4.14 -0.03 0.00 -0.06 0.00 0.00 31.44 27.62 2jfx n GLU 62 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2jfx s ILE 63 N -2.31 5.31 -0.10 6.31 -4.36 -1.26 -5.00 121.20 119.78 2jfx s ILE 63 Ca 0.24 -0.70 0.15 0.00 -0.26 0.00 0.00 60.65 60.08 2jfx s ILE 63 Cb -0.04 -3.76 -0.08 0.00 1.25 0.00 0.00 42.46 39.82 2jfx s ILE 63 CO 0.82 -0.14 1.07 -0.33 0.24 0.00 0.00 174.94 176.60 2jfx h GLU 64 N 1.98 0.00 -2.62 0.37 5.08 -1.64 -3.47 114.58 114.29 2jfx h GLU 64 Ca -0.49 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.76 2jfx h GLU 64 Cb 1.20 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.20 2jfx h GLU 64 CO 0.67 0.45 -0.25 -1.17 -1.00 0.00 0.00 179.01 177.71 2jfx s LEU 65 N -6.12 -0.02 -0.17 1.33 0.20 -1.26 -3.82 118.68 108.82 2jfx s LEU 65 Ca -0.00 0.93 -0.07 0.00 0.69 0.00 0.00 54.13 55.67 2jfx s LEU 65 Cb 0.08 1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 47.26 2jfx s LEU 65 CO 0.79 -0.18 0.06 -0.22 -0.29 0.00 0.00 176.35 176.51 2jfx s LEU 66 N 1.06 3.85 -0.27 -0.68 2.96 -0.68 -2.10 118.68 122.82 2jfx s LEU 66 Ca -0.07 0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 2jfx s LEU 66 Cb -0.07 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2jfx s LEU 66 CO -0.09 0.21 0.09 -0.63 -1.32 0.00 0.00 176.35 174.60 2jfx s ILE 67 N 0.17 4.26 -0.94 6.68 1.01 0.12 -1.29 121.20 131.21 2jfx s ILE 67 Ca 0.05 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 2jfx s ILE 67 Cb -0.12 -3.08 0.12 0.00 0.01 0.00 0.00 42.46 39.39 2jfx s ILE 67 CO 0.00 0.22 1.17 -0.69 0.00 0.00 0.00 174.94 175.63 2jfx s VAL 68 N 1.58 4.62 0.45 2.92 1.01 -0.47 -0.43 120.40 130.09 2jfx s VAL 68 Ca 0.05 -1.47 0.25 0.00 0.00 0.00 0.00 61.98 60.82 2jfx s VAL 68 Cb -0.16 -4.81 0.28 0.00 0.00 0.00 0.00 36.38 31.69 2jfx s VAL 68 CO 0.04 -1.56 2.08 0.00 0.00 0.00 0.00 175.10 175.66 2jfx h ALA 69 N 8.96 1.40 -2.38 5.51 0.00 -0.85 -3.27 119.26 128.62 2jfx h ALA 69 Ca 0.16 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.42 2jfx h ALA 69 Cb 1.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2jfx h ALA 69 CO 1.15 0.14 0.65 0.00 0.00 0.00 0.00 179.25 181.19 2jfx h ASN 71 N 7.24 0.92 -0.74 0.00 4.21 -1.87 0.18 115.58 125.52 2jfx h ASN 71 Ca -0.37 -0.39 -0.02 0.00 1.21 0.00 0.00 56.30 56.73 2jfx h ASN 71 Cb 1.18 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.09 2jfx h ASN 71 CO 0.85 1.10 0.39 0.74 -1.29 0.00 0.00 177.43 179.23 2jfx h THR 72 N 0.74 1.23 -0.22 2.81 2.02 -1.92 -0.83 112.91 116.74 2jfx h THR 72 Ca 0.10 -0.61 -0.14 0.00 0.77 0.00 0.00 66.41 66.54 2jfx h THR 72 Cb 0.73 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2jfx h THR 72 CO 0.06 0.26 -0.40 0.00 0.37 0.00 0.00 175.52 175.81 2jfx h ALA 73 N 1.20 0.34 -0.91 6.16 0.00 -1.93 -2.42 119.26 121.70 2jfx h ALA 73 Ca 0.26 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2jfx h ALA 73 Cb 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2jfx h ALA 73 CO -0.04 0.44 0.59 0.77 0.00 0.00 0.00 179.25 181.01 2jfx h SER 74 N 0.35 0.89 -0.24 0.00 0.02 -0.66 0.19 113.55 114.10 2jfx h SER 74 Ca 0.01 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 2jfx h SER 74 Cb 1.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2jfx h SER 74 CO 0.09 0.56 -0.60 0.00 -1.14 0.00 0.00 176.83 175.73 2jfx h ALA 75 N 1.52 0.39 -0.00 3.77 0.00 -1.05 -3.29 119.26 120.60 2jfx h ALA 75 Ca 0.40 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jfx h ALA 75 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jfx h ALA 75 CO -0.16 0.65 -0.45 1.28 0.00 0.00 0.00 179.25 180.56 2jfx n LEU 76 N -4.02 0.50 0.00 0.00 4.32 -0.92 -4.79 117.00 112.09 2jfx n LEU 76 Ca -0.06 -0.51 0.00 0.00 -0.02 0.00 0.00 56.01 55.42 2jfx n LEU 76 Cb 0.66 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 2jfx n LEU 76 CO 0.51 0.12 0.08 0.00 -1.22 0.00 0.00 177.39 176.88 2jfx n ALA 77 N -1.19 0.72 -0.22 -1.18 0.00 0.62 -4.63 120.51 114.63 2jfx n ALA 77 Ca 0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 2jfx n ALA 77 Cb 0.16 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 0.98 0.36 0.00 5.85 -1.55 -2.12 115.31 118.83 2jfx h LEU 78 Ca 0.00 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2jfx h LEU 78 Cb 0.39 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2jfx h LEU 78 CO 0.00 0.92 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.76 2jfx h GLU 79 N 1.01 -0.46 -0.70 1.25 4.81 -1.88 -0.73 114.58 117.88 2jfx h GLU 79 Ca 0.22 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2jfx h GLU 79 Cb 0.29 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 2jfx h GLU 79 CO -0.01 -0.21 0.44 0.93 -0.73 0.00 0.00 179.01 179.43 2jfx h GLU 80 N -0.66 0.83 -0.00 1.92 3.07 -1.89 -0.18 114.58 117.66 2jfx h GLU 80 Ca -0.05 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2jfx h GLU 80 Cb 0.47 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2jfx h GLU 80 CO 0.08 0.55 -0.03 0.52 -1.40 0.00 0.00 179.01 178.73 2jfx h MET 81 N 0.85 -0.04 -0.01 2.33 2.86 -1.29 -1.41 114.93 118.22 2jfx h MET 81 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2jfx h MET 81 Cb 0.02 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2jfx h MET 81 CO -0.11 -0.03 0.01 1.96 1.06 0.00 0.00 176.91 179.80 2jfx h GLN 82 N -0.05 0.00 0.00 1.72 4.20 -0.74 -1.11 115.11 119.13 2jfx h GLN 82 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2jfx h GLN 82 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2jfx h GLN 82 CO -0.03 0.00 0.00 1.17 -0.67 0.00 0.00 178.83 179.30 2jfx n LYS 83 N -4.48 0.14 -0.24 1.46 4.81 -0.11 -2.88 118.16 116.86 2jfx n LYS 83 Ca -0.03 0.39 0.06 0.00 -0.87 0.00 0.00 58.31 57.87 2jfx n LYS 83 Cb 0.10 -1.78 0.08 0.00 0.02 0.00 0.00 35.03 33.45 2jfx n LYS 83 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jfx n TYR 84 N -2.06 0.00 -4.33 5.64 4.02 -0.45 -5.06 117.16 114.93 2jfx n TYR 84 Ca 0.02 -0.61 -0.29 0.00 -0.01 0.00 0.00 57.90 57.02 2jfx n TYR 84 Cb 0.20 -0.11 -0.11 0.00 -0.02 0.00 0.00 39.34 39.30 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 -2.14 3.77 -0.06 7.72 0.15 -1.05 -5.01 113.70 117.08 2jfx s SER 85 Ca 0.19 -0.64 0.18 0.00 0.70 0.00 0.00 55.95 56.38 2jfx s SER 85 Cb 0.17 -0.47 -0.22 0.00 -1.71 0.00 0.00 66.02 63.79 2jfx s SER 85 CO 0.02 0.16 0.47 0.29 1.20 0.00 0.00 173.24 175.38 2jfx n LYS 86 N 0.65 0.65 -3.39 5.44 4.76 -1.26 -4.94 118.16 120.07 2jfx n LYS 86 Ca -0.15 0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.12 2jfx n LYS 86 Cb 0.53 -1.65 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 2jfx n LYS 86 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2jfx s ILE 87 N -2.84 5.11 0.14 -0.18 -4.36 -1.26 -5.07 121.20 112.74 2jfx s ILE 87 Ca -0.07 -0.45 -0.30 0.00 -0.26 0.00 0.00 60.65 59.57 2jfx s ILE 87 Cb 0.09 -3.85 -0.07 0.00 1.25 0.00 0.00 42.46 39.87 2jfx s ILE 87 CO 0.84 -0.54 1.13 -2.16 0.24 0.00 0.00 174.94 174.44 2jfx s PRO 88 N -4.26 4.54 -0.26 0.37 0.04 -1.25 -4.89 135.00 129.30 2jfx s PRO 88 Ca 0.40 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2jfx s PRO 88 Cb -0.10 -3.30 0.04 0.00 0.04 0.00 0.00 34.50 31.18 2jfx s PRO 88 CO 0.36 -0.03 -0.05 0.42 0.04 0.00 0.00 177.00 177.74 2jfx s ILE 89 N 0.17 2.84 -0.26 0.56 1.01 -1.26 -1.68 121.20 122.58 2jfx s ILE 89 Ca 0.52 -1.17 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 2jfx s ILE 89 Cb -0.29 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2jfx s ILE 89 CO 0.33 0.10 0.12 0.54 0.00 0.00 0.00 174.94 176.03 2jfx s VAL 90 N 1.29 4.73 0.53 2.92 0.11 -0.41 -4.96 120.40 124.61 2jfx s VAL 90 Ca -0.02 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2jfx s VAL 90 Cb -0.18 -3.22 0.11 0.00 -1.53 0.00 0.00 36.38 31.56 2jfx s VAL 90 CO -0.04 0.31 0.73 0.61 -3.33 0.00 0.00 175.10 173.38 2jfx n GLY 91 N 4.89 -0.18 0.00 6.54 0.00 -1.26 -1.36 105.19 113.82 2jfx n GLY 91 Ca -0.15 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.68 0.00 0.04 1.61 0.24 -1.23 -4.48 118.33 111.83 2jfx n VAL 92 Ca 0.11 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.34 62.24 2jfx n VAL 92 Cb 0.37 0.96 -0.08 0.00 -1.47 0.00 0.00 33.84 33.62 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 0.00 0.97 -0.53 1.34 2.04 -1.92 -3.22 117.51 116.18 2jfx h ILE 93 Ca 0.00 -1.20 0.11 0.00 1.00 0.00 0.00 64.86 64.77 2jfx h ILE 93 Cb 0.48 1.62 -0.10 0.00 -0.74 0.00 0.00 36.82 38.08 2jfx h ILE 93 CO 0.00 0.25 -0.17 -0.33 0.00 0.00 0.00 178.15 177.90 2jfx h GLU 94 N -0.82 -0.04 -0.25 2.37 4.39 -1.98 -1.65 114.58 116.60 2jfx h GLU 94 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2jfx h GLU 94 Cb 0.55 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2jfx h GLU 94 CO 0.03 -0.03 0.13 -1.35 -1.16 0.00 0.00 179.01 176.63 2jfx h PRO 95 N -0.04 0.34 -0.49 2.33 0.11 -1.79 -2.69 132.00 129.78 2jfx h PRO 95 Ca 0.25 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.21 2jfx h PRO 95 Cb 0.43 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2jfx h PRO 95 CO -0.57 0.26 -0.20 0.77 -0.21 0.00 0.00 178.00 178.06 2jfx h SER 96 N 0.35 1.00 -0.12 -2.05 0.02 -1.32 -1.26 113.55 110.18 2jfx h SER 96 Ca 0.09 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 2jfx h SER 96 Cb 0.02 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2jfx h SER 96 CO -0.01 1.16 -0.14 0.40 -1.14 0.00 0.00 176.83 177.10 2jfx h ILE 97 N 0.85 1.23 -0.22 3.27 5.03 -1.17 0.41 117.51 126.91 2jfx h ILE 97 Ca 0.11 -1.03 -0.15 0.00 -0.12 0.00 0.00 64.86 63.68 2jfx h ILE 97 Cb 0.77 1.17 -0.01 0.00 -3.03 0.00 0.00 36.82 35.73 2jfx h ILE 97 CO 0.06 0.33 -0.46 0.25 -0.68 0.00 0.00 178.15 177.65 2jfx h LEU 98 N 0.44 0.63 -0.67 1.44 5.85 -1.25 -1.26 115.31 120.50 2jfx h LEU 98 Ca 0.08 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 2jfx h LEU 98 Cb 0.50 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2jfx h LEU 98 CO 0.03 1.00 0.19 0.00 -0.34 0.00 0.00 178.44 179.32 2jfx h ALA 99 N 1.02 0.88 -0.17 1.25 0.00 -0.48 -1.30 119.26 120.46 2jfx h ALA 99 Ca 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2jfx h ALA 99 Cb 0.99 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2jfx h ALA 99 CO 0.09 0.57 -0.03 0.82 0.00 0.00 0.00 179.25 180.70 2jfx h ILE 100 N 0.98 1.28 -0.34 0.00 2.04 -0.75 -2.86 117.51 117.86 2jfx h ILE 100 Ca 0.21 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2jfx h ILE 100 Cb 0.33 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2jfx h ILE 100 CO -0.00 0.29 0.22 0.50 0.00 0.00 0.00 178.15 179.16 2jfx h LYS 101 N 0.04 0.46 0.00 2.37 1.63 -1.13 0.94 116.57 120.87 2jfx h LYS 101 Ca 0.04 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2jfx h LYS 101 Cb 0.46 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2jfx h LYS 101 CO 0.02 0.31 0.00 -0.09 -3.45 0.00 0.00 179.45 176.24 2jfx h ARG 102 N 0.47 0.00 0.00 1.90 2.43 -1.07 -3.36 114.38 114.74 2jfx h ARG 102 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2jfx h ARG 102 Cb -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2jfx h ARG 102 CO -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.43 2jfx n GLN 103 N -2.71 0.69 -3.86 0.20 10.64 -0.72 -4.97 117.38 116.64 2jfx n GLN 103 Ca 0.04 -0.69 -0.30 0.00 -1.83 0.00 0.00 57.00 54.22 2jfx n GLN 103 Cb 0.42 -0.73 -0.15 0.00 -0.86 0.00 0.00 30.24 28.92 2jfx n GLN 103 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2jfx s VAL 104 N -0.29 1.46 0.01 -0.39 1.01 0.24 -4.98 120.40 117.47 2jfx s VAL 104 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 61.98 60.12 2jfx s VAL 104 Cb 0.00 -2.06 -0.32 0.00 0.00 0.00 0.00 36.38 33.99 2jfx s VAL 104 CO 0.00 -0.60 0.91 -0.33 0.00 0.00 0.00 175.10 175.08 2jfx h GLU 105 N 7.90 0.43 -6.29 2.72 4.39 -1.86 -3.44 114.58 118.43 2jfx h GLU 105 Ca -0.10 -0.73 -0.57 0.00 0.34 0.00 0.00 59.36 58.29 2jfx h GLU 105 Cb 1.02 0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 2jfx h GLU 105 CO 0.48 1.34 1.18 0.34 -1.16 0.00 0.00 179.01 181.20 2jfx s ASP 106 N -7.37 6.20 0.00 1.42 2.15 -1.26 -4.83 116.67 112.97 2jfx s ASP 106 Ca -0.10 1.50 0.17 0.00 0.43 0.00 0.00 52.55 54.55 2jfx s ASP 106 Cb 0.05 -2.53 0.93 0.00 -0.30 0.00 0.00 42.92 41.07 2jfx s ASP 106 CO 0.90 -1.43 1.49 0.29 -0.17 0.00 0.00 175.17 176.26 2jfx n LYS 107 N 7.97 0.35 0.00 4.34 4.01 -1.26 -2.16 118.16 131.41 2jfx n LYS 107 Ca 0.20 0.08 0.09 0.00 -0.51 0.00 0.00 58.31 58.17 2jfx n LYS 107 Cb 0.46 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.47 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 -1.19 1.72 -4.68 4.39 3.02 -1.26 -0.97 115.26 116.29 2jfx n ASN 108 Ca 0.10 -1.36 -0.44 0.00 -0.03 0.00 0.00 54.58 52.85 2jfx n ASN 108 Cb 0.11 0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.12 1.25 -2.30 5.41 0.00 -0.92 -4.51 120.51 119.33 2jfx n ALA 109 Ca 0.07 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 2jfx n ALA 109 Cb 0.37 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 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 -0.83 4.19 -0.14 0.00 0.02 -1.26 -4.31 135.00 132.67 2jfx s PRO 110 Ca 0.64 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.46 2jfx s PRO 110 Cb -0.62 -3.84 -0.01 0.00 0.02 0.00 0.00 34.50 30.06 2jfx s PRO 110 CO 0.53 -0.78 -0.15 0.42 -0.33 0.00 0.00 177.00 176.68 2jfx s ILE 111 N 3.75 2.76 -0.18 2.83 1.01 0.37 -1.29 121.20 130.45 2jfx s ILE 111 Ca 0.61 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 2jfx s ILE 111 Cb -0.25 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 2jfx s ILE 111 CO 0.20 0.52 -0.05 -0.22 0.00 0.00 0.00 174.94 175.39 2jfx s LEU 112 N 0.57 2.99 -0.23 2.97 2.96 -0.18 0.14 118.68 127.90 2jfx s LEU 112 Ca -0.09 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 2jfx s LEU 112 Cb -0.16 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2jfx s LEU 112 CO 0.04 0.07 0.14 -0.69 -1.32 0.00 0.00 176.35 174.59 2jfx s VAL 113 N 0.92 5.20 0.03 1.68 1.01 0.43 -0.62 120.40 129.05 2jfx s VAL 113 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2jfx s VAL 113 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2jfx s VAL 113 CO 0.01 0.36 -0.07 -0.76 0.00 0.00 0.00 175.10 174.64 2jfx s LEU 114 N 1.01 3.15 0.00 3.92 1.02 -0.47 -0.65 118.68 126.66 2jfx s LEU 114 Ca 0.07 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.01 2jfx s LEU 114 Cb -0.13 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.23 2jfx s LEU 114 CO 0.04 0.25 0.00 0.61 0.02 0.00 0.00 176.35 177.27 2jfx n GLY 115 N 1.29 -1.72 3.73 -3.19 0.00 -1.16 -0.75 105.19 103.40 2jfx n GLY 115 Ca -0.15 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.29 2.45 0.25 2.61 -4.23 -1.26 -1.55 115.64 111.62 2jfx s THR 116 Ca 0.00 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 2jfx s THR 116 Cb 0.00 -2.72 0.26 0.00 1.34 0.00 0.00 72.50 71.38 2jfx s THR 116 CO 0.00 -0.19 1.93 0.11 -0.54 0.00 0.00 174.62 175.93 2jfx h LYS 117 N -1.57 1.31 -0.13 3.99 1.57 -1.90 0.23 116.57 120.07 2jfx h LYS 117 Ca -0.51 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.18 2jfx h LYS 117 Cb 1.30 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2jfx h LYS 117 CO 0.57 0.87 0.03 0.00 -0.57 0.00 0.00 179.45 180.35 2jfx h ALA 118 N 1.37 0.17 0.11 3.86 0.00 -1.35 0.50 119.26 123.93 2jfx h ALA 118 Ca 0.36 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2jfx h ALA 118 Cb -0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jfx h ALA 118 CO -0.08 -0.19 -0.21 1.15 0.00 0.00 0.00 179.25 179.93 2jfx h THR 119 N 0.00 0.53 0.44 0.00 2.02 -1.71 -2.05 112.91 112.15 2jfx h THR 119 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2jfx h THR 119 Cb 0.27 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2jfx h THR 119 CO 0.00 0.00 -0.21 0.40 0.37 0.00 0.00 175.52 176.08 2jfx h ILE 120 N -0.40 0.56 -0.23 3.11 5.03 -0.91 -2.76 117.51 121.91 2jfx h ILE 120 Ca 0.03 -0.06 0.07 0.00 -0.12 0.00 0.00 64.86 64.77 2jfx h ILE 120 Cb 0.42 0.60 -0.01 0.00 -3.03 0.00 0.00 36.82 34.80 2jfx h ILE 120 CO -0.12 0.01 0.35 1.56 -0.68 0.00 0.00 178.15 179.28 2jfx h GLN 121 N -0.63 0.00 0.00 2.37 4.20 -0.81 0.33 115.11 120.57 2jfx h GLN 121 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2jfx h GLN 121 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2jfx h GLN 121 CO 0.10 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.13 2jfx n SER 122 N -3.46 0.63 -1.92 1.46 3.41 -0.78 -4.89 113.62 108.07 2jfx n SER 122 Ca 0.03 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 59.09 2jfx n SER 122 Cb 0.47 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2jfx n SER 122 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jfx n ASN 123 N -2.12 -3.92 -0.23 4.04 3.02 0.11 -4.86 115.26 111.30 2jfx n ASN 123 Ca 0.05 0.25 -0.03 0.00 -0.03 0.00 0.00 54.58 54.81 2jfx n ASN 123 Cb 0.34 -3.47 0.15 0.00 -0.61 0.00 0.00 39.78 36.20 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 0.85 1.21 -0.09 5.41 0.00 -1.81 -1.95 119.26 122.88 2jfx h ALA 124 Ca -0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2jfx h ALA 124 Cb 1.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jfx h ALA 124 CO 0.40 0.59 -0.08 1.88 0.00 0.00 0.00 179.25 182.04 2jfx h TYR 125 N 1.03 0.26 -0.13 0.00 -1.99 -1.89 -2.85 116.97 111.40 2jfx h TYR 125 Ca 0.25 -0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.93 2jfx h TYR 125 Cb 0.14 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 2jfx h TYR 125 CO 0.01 0.63 -0.03 -0.44 -0.00 0.00 0.00 178.16 178.34 2jfx h ASP 126 N -0.18 -0.12 0.01 3.88 5.19 -1.93 -0.62 116.42 122.66 2jfx h ASP 126 Ca 0.02 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2jfx h ASP 126 Cb 0.58 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2jfx h ASP 126 CO 0.02 -0.04 -0.12 0.78 -3.12 0.00 0.00 179.24 176.76 2jfx h ASN 127 N 0.00 -0.34 -0.49 6.45 2.35 -1.42 0.21 115.58 122.34 2jfx h ASN 127 Ca 0.06 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2jfx h ASN 127 Cb 0.09 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2jfx h ASN 127 CO -0.13 -0.17 0.32 0.00 -1.65 0.00 0.00 177.43 175.80 2jfx h ALA 128 N 0.74 1.63 0.03 -0.83 0.00 -1.34 -0.27 119.26 119.23 2jfx h ALA 128 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jfx h ALA 128 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jfx h ALA 128 CO -0.11 0.34 -0.01 -0.07 0.00 0.00 0.00 179.25 179.39 2jfx h LEU 129 N 0.68 -0.03 -0.45 0.00 4.07 -0.55 -2.60 115.31 116.42 2jfx h LEU 129 Ca 0.18 -0.52 0.06 0.00 0.08 0.00 0.00 57.88 57.68 2jfx h LEU 129 Cb -0.06 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 2jfx h LEU 129 CO -0.04 0.52 0.14 0.11 -1.08 0.00 0.00 178.44 178.09 2jfx h LYS 130 N -0.60 0.29 -0.60 1.13 1.57 -0.33 0.50 116.57 118.53 2jfx h LYS 130 Ca -0.00 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2jfx h LYS 130 Cb 0.55 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2jfx h LYS 130 CO 0.01 0.19 0.41 0.37 -0.57 0.00 0.00 179.45 179.86 2jfx h GLN 131 N 0.30 0.30 -0.04 3.15 4.15 -1.07 0.28 115.11 122.18 2jfx h GLN 131 Ca 0.22 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2jfx h GLN 131 Cb 0.23 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2jfx h GLN 131 CO -0.24 0.20 0.00 1.04 -1.93 0.00 0.00 178.83 177.90 2jfx n GLN 132 N -4.46 1.30 -0.01 1.69 1.13 0.13 -4.91 117.38 112.25 2jfx n GLN 132 Ca 0.10 -0.45 0.00 0.00 -1.94 0.00 0.00 57.00 54.72 2jfx n GLN 132 Cb 0.45 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.39 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 1.00 0.72 3.73 1.08 0.00 0.99 -5.08 105.19 107.63 2jfx n GLY 133 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.01 3.77 -0.22 1.61 1.51 -1.04 -4.82 117.35 116.13 2jfx s TYR 134 Ca 0.00 1.73 0.17 0.00 -1.01 0.00 0.00 57.07 57.95 2jfx s TYR 134 Cb 0.00 -3.03 -0.24 0.00 -0.11 0.00 0.00 41.96 38.58 2jfx s TYR 134 CO 0.00 0.17 0.46 1.28 -1.11 0.00 0.00 175.55 176.35 2jfx n LEU 135 N 3.02 0.21 -4.05 -1.29 4.77 -0.14 -4.34 117.00 115.17 2jfx n LEU 135 Ca 0.02 -0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.53 2jfx n LEU 135 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2jfx n LEU 135 CO 0.51 0.05 0.15 0.21 -1.33 0.00 0.00 177.39 176.98 2jfx s ASN 136 N -3.58 5.43 -0.13 -1.43 3.84 -1.26 -5.06 114.94 112.77 2jfx s ASN 136 Ca -0.03 -3.45 0.02 0.00 0.21 0.00 0.00 52.86 49.61 2jfx s ASN 136 Cb 0.11 -1.82 0.00 0.00 -0.55 0.00 0.00 41.25 38.99 2jfx s ASN 136 CO 0.70 -0.22 -0.21 -0.63 -2.79 0.00 0.00 177.10 173.95 2jfx s ILE 137 N -0.93 2.27 0.27 -5.21 1.01 -1.26 -0.48 121.20 116.87 2jfx s ILE 137 Ca 0.23 -0.93 0.11 0.00 0.00 0.00 0.00 60.65 60.07 2jfx s ILE 137 Cb -0.12 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2jfx s ILE 137 CO -0.10 0.55 -0.19 -0.44 0.00 0.00 0.00 174.94 174.76 2jfx s SER 138 N 0.57 3.45 0.01 3.58 0.01 0.12 -4.97 113.70 116.48 2jfx s SER 138 Ca -0.12 -1.03 -0.08 0.00 1.31 0.00 0.00 55.95 56.03 2jfx s SER 138 Cb -0.17 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.79 2jfx s SER 138 CO 0.04 0.01 0.15 -1.38 0.41 0.00 0.00 173.24 172.46 2jfx s HIS 139 N -2.58 0.05 -0.15 2.43 -3.43 -1.26 -0.43 115.29 109.93 2jfx s HIS 139 Ca 0.29 -0.17 -0.08 0.00 -0.80 0.00 0.00 55.06 54.30 2jfx s HIS 139 Cb -0.04 -0.05 0.05 0.00 -1.43 0.00 0.00 32.58 31.11 2jfx s HIS 139 CO 0.14 -0.32 0.35 -1.17 -2.00 0.00 0.00 174.74 171.74 2jfx s LEU 140 N -1.54 0.13 -0.47 5.38 0.20 0.18 -4.90 118.68 117.66 2jfx s LEU 140 Ca -0.13 0.76 -0.22 0.00 0.69 0.00 0.00 54.13 55.23 2jfx s LEU 140 Cb -0.06 1.13 0.03 0.00 -0.43 0.00 0.00 46.19 46.86 2jfx s LEU 140 CO 0.00 -0.18 0.77 0.00 -0.29 0.00 0.00 176.35 176.65 2jfx s ALA 141 N 1.28 3.29 -0.96 5.97 0.00 -1.26 -2.99 121.76 127.08 2jfx s ALA 141 Ca -0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 2jfx s ALA 141 Cb -0.09 -3.47 0.32 0.00 0.00 0.00 0.00 23.12 19.88 2jfx s ALA 141 CO -0.10 -1.98 1.59 0.25 0.00 0.00 0.00 175.76 175.51 2jfx n THR 142 N 6.04 5.37 -0.34 0.00 -2.24 -0.59 -4.89 114.28 117.63 2jfx n THR 142 Ca 0.01 -5.89 -0.11 0.00 -2.27 0.00 0.00 64.05 55.79 2jfx n THR 142 Cb 0.48 -1.67 -0.08 0.00 -2.10 0.00 0.00 70.33 66.95 2jfx n THR 142 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jfx h SER 143 N 4.31 -1.99 -0.09 3.42 0.02 -1.93 -1.85 113.55 115.44 2jfx h SER 143 Ca 0.39 0.30 0.03 0.00 -0.84 0.00 0.00 61.79 61.67 2jfx h SER 143 Cb 0.42 0.88 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 2jfx h SER 143 CO 1.15 -0.28 0.26 -0.07 -1.14 0.00 0.00 176.83 176.74 2jfx h LEU 144 N -0.11 0.00 -1.33 5.07 3.38 -1.98 -1.66 115.31 118.68 2jfx h LEU 144 Ca 0.16 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2jfx h LEU 144 Cb 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2jfx h LEU 144 CO -0.85 0.00 0.49 -0.26 0.09 0.00 0.00 178.44 177.91 2jfx h PHE 145 N 0.00 0.82 0.84 1.13 0.05 -1.75 -1.79 116.94 116.24 2jfx h PHE 145 Ca 0.04 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.81 2jfx h PHE 145 Cb 0.56 -0.27 0.01 0.00 2.00 0.00 0.00 35.95 38.24 2jfx h PHE 145 CO 0.00 0.45 -0.40 0.28 -0.18 0.00 0.00 178.31 178.45 2jfx h VAL 146 N 0.83 0.09 -0.23 -0.55 2.07 -1.47 0.38 116.25 117.37 2jfx h VAL 146 Ca 0.32 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 2jfx h VAL 146 Cb 0.20 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2jfx h VAL 146 CO -0.10 0.01 0.04 1.55 0.02 0.00 0.00 177.57 179.08 2jfx h PRO 147 N -1.23 0.32 -0.13 1.57 0.13 -1.71 -0.85 132.00 130.11 2jfx h PRO 147 Ca -0.12 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2jfx h PRO 147 Cb 0.88 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2jfx h PRO 147 CO 0.19 0.32 0.05 1.25 -0.23 0.00 0.00 178.00 179.59 2jfx h LEU 148 N 0.32 0.18 -1.31 1.56 5.85 -1.24 -0.95 115.31 119.72 2jfx h LEU 148 Ca 0.08 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2jfx h LEU 148 Cb 0.16 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2jfx h LEU 148 CO -0.00 0.29 -0.07 0.40 -0.34 0.00 0.00 178.44 178.71 2jfx h ILE 149 N 0.05 1.19 0.00 4.05 2.04 -0.48 0.51 117.51 124.87 2jfx h ILE 149 Ca 0.04 -0.79 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 2jfx h ILE 149 Cb 0.17 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2jfx h ILE 149 CO -0.00 0.26 -0.41 -0.33 0.00 0.00 0.00 178.15 177.67 2jfx h GLU 150 N 0.36 0.00 -0.02 2.37 5.08 -0.73 -0.84 114.58 120.80 2jfx h GLU 150 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jfx h GLU 150 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2jfx h GLU 150 CO 0.02 0.41 0.00 0.39 -1.00 0.00 0.00 179.01 178.83 2jfx n GLU 151 N -3.63 1.33 -2.58 2.33 -0.58 -0.40 -4.89 120.64 112.21 2jfx n GLU 151 Ca -0.01 -0.48 -0.13 0.00 -0.42 0.00 0.00 57.16 56.13 2jfx n GLU 151 Cb 0.51 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.92 2jfx n GLU 151 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2jfx n SER 152 N -0.41 -4.19 -4.45 1.62 2.88 -0.32 -4.94 113.62 103.81 2jfx n SER 152 Ca 0.21 -0.13 -0.44 0.00 -1.33 0.00 0.00 58.87 57.18 2jfx n SER 152 Cb 0.23 -3.16 -0.02 0.00 -0.75 0.00 0.00 64.21 60.51 2jfx n SER 152 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2jfx s ILE 153 N -2.84 4.88 -0.20 2.46 -1.09 0.11 -4.78 121.20 119.74 2jfx s ILE 153 Ca 0.13 -2.01 0.15 0.00 -2.23 0.00 0.00 60.65 56.70 2jfx s ILE 153 Cb -0.06 -4.82 0.61 0.00 -1.58 0.00 0.00 42.46 36.61 2jfx s ILE 153 CO 0.16 -1.53 1.52 0.18 -1.23 0.00 0.00 174.94 174.04 2jfx n LEU 154 N 6.10 4.43 -3.69 2.97 4.77 -1.26 -4.44 117.00 125.88 2jfx n LEU 154 Ca 0.28 -3.05 0.03 0.00 -0.03 0.00 0.00 56.01 53.25 2jfx n LEU 154 Cb 0.47 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2jfx n LEU 154 CO 0.54 0.69 1.16 -1.83 -1.33 0.00 0.00 177.39 176.63 2jfx s GLU 155 N -2.85 0.16 0.00 3.23 -1.05 -1.26 -4.97 118.70 111.96 2jfx s GLU 155 Ca 0.46 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 2jfx s GLU 155 Cb 0.37 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2jfx s GLU 155 CO 0.10 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.65 2jfx n GLY 156 N -0.61 -0.02 0.31 -3.83 0.00 -1.26 -4.39 105.19 95.39 2jfx n GLY 156 Ca -0.06 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 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 0.82 -0.21 1.61 4.57 -2.03 -2.21 114.58 117.13 2jfx h GLU 157 Ca 0.00 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2jfx h GLU 157 Cb 0.00 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 2jfx h GLU 157 CO 0.00 0.71 0.13 1.25 -1.18 0.00 0.00 179.01 179.92 2jfx h LEU 158 N 0.80 0.25 -0.12 1.64 5.85 -1.98 0.65 115.31 122.40 2jfx h LEU 158 Ca 0.18 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2jfx h LEU 158 Cb 0.22 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2jfx h LEU 158 CO -0.01 0.21 0.04 0.25 -0.34 0.00 0.00 178.44 178.59 2jfx h LEU 159 N 0.27 0.17 -0.65 2.25 5.85 -1.74 0.13 115.31 121.59 2jfx h LEU 159 Ca 0.08 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.63 2jfx h LEU 159 Cb 0.01 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2jfx h LEU 159 CO -0.02 0.33 0.39 -0.08 -0.34 0.00 0.00 178.44 178.72 2jfx h GLU 160 N 0.00 0.73 -0.27 1.25 4.57 -1.18 0.46 114.58 120.14 2jfx h GLU 160 Ca 0.04 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2jfx h GLU 160 Cb 0.22 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2jfx h GLU 160 CO -0.00 0.48 -0.21 1.15 -1.18 0.00 0.00 179.01 179.25 2jfx h THR 161 N 0.75 1.26 -0.16 0.32 2.02 0.49 0.71 112.91 118.30 2jfx h THR 161 Ca 0.27 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.16 2jfx h THR 161 Cb 0.07 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2jfx h THR 161 CO -0.13 0.38 -0.26 0.00 0.37 0.00 0.00 175.52 175.89 2jfx h MET 163 N 0.10 0.77 -0.57 0.00 2.07 0.08 -1.94 114.93 115.44 2jfx h MET 163 Ca 0.01 -0.09 -0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2jfx h MET 163 Cb 0.83 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 30.38 2jfx h MET 163 CO 0.06 0.59 0.35 1.25 1.07 0.00 0.00 176.91 180.22 2jfx h HIS 164 N 0.75 0.74 -0.46 -0.22 6.17 -0.81 -0.12 115.15 121.19 2jfx h HIS 164 Ca 0.20 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.29 2jfx h HIS 164 Cb 0.03 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 29.69 2jfx h HIS 164 CO -0.02 0.49 0.31 -0.92 0.71 0.00 0.00 177.93 178.50 2jfx h TYR 165 N 0.78 0.58 0.10 5.26 3.20 -0.46 -2.36 116.97 124.08 2jfx h TYR 165 Ca 0.21 0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.81 2jfx h TYR 165 Cb -0.04 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 2jfx h TYR 165 CO 0.00 0.36 -1.37 1.88 -1.64 0.00 0.00 178.16 177.39 2jfx h TYR 166 N 0.63 0.38 0.12 -3.82 -1.99 -1.07 -3.40 116.97 107.82 2jfx h TYR 166 Ca 0.17 -0.28 -0.28 0.00 2.00 0.00 0.00 58.73 60.34 2jfx h TYR 166 Cb -0.07 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 2jfx h TYR 166 CO -0.04 1.28 -1.35 0.74 -0.00 0.00 0.00 178.16 178.78 2jfx h PHE 167 N 0.06 0.46 -0.92 4.88 0.05 -1.04 -3.37 116.94 117.06 2jfx h PHE 167 Ca -0.18 -0.34 0.17 0.00 3.82 0.00 0.00 57.97 61.44 2jfx h PHE 167 Cb 1.97 -0.02 -0.10 0.00 2.00 0.00 0.00 35.95 39.80 2jfx h PHE 167 CO 0.05 1.31 0.51 1.15 -0.18 0.00 0.00 178.31 181.15 2jfx h THR 168 N 0.07 0.72 0.00 -1.55 2.02 -1.63 0.12 112.91 112.66 2jfx h THR 168 Ca -0.17 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2jfx h THR 168 Cb 1.99 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2jfx h THR 168 CO 0.19 0.13 0.00 -2.65 0.37 0.00 0.00 175.52 173.55 2jfx n PRO 169 N -4.83 0.50 -2.43 6.66 -0.02 -1.26 -4.79 135.00 128.83 2jfx n PRO 169 Ca 0.20 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 2jfx n PRO 169 Cb 0.49 -1.25 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 2jfx n PRO 169 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jfx s LEU 170 N -1.51 4.38 -0.15 2.45 2.96 0.41 -4.98 118.68 122.25 2jfx s LEU 170 Ca 0.12 2.02 -0.12 0.00 -0.22 0.00 0.00 54.13 55.94 2jfx s LEU 170 Cb 0.06 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 2jfx s LEU 170 CO 0.09 -0.44 -0.01 -0.33 -1.32 0.00 0.00 176.35 174.35 2jfx h GLU 171 N 6.60 0.00 -7.33 1.98 5.08 -1.87 -3.48 114.58 115.56 2jfx h GLU 171 Ca -0.42 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.43 2jfx h GLU 171 Cb 1.21 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.54 2jfx h GLU 171 CO 0.80 0.28 0.39 0.96 -1.00 0.00 0.00 179.01 180.44 2jfx s ILE 172 N -2.15 4.25 -0.37 3.13 -4.36 -1.26 -5.03 121.20 115.41 2jfx s ILE 172 Ca -0.16 0.76 -0.06 0.00 -0.26 0.00 0.00 60.65 60.94 2jfx s ILE 172 Cb 0.02 -3.56 0.06 0.00 1.25 0.00 0.00 42.46 40.24 2jfx s ILE 172 CO 0.29 -0.93 0.15 -0.22 0.24 0.00 0.00 174.94 174.48 2jfx s LEU 173 N -5.31 4.67 0.39 0.37 0.20 -1.26 -5.09 118.68 112.65 2jfx s LEU 173 Ca 0.57 -1.42 -0.24 0.00 0.69 0.00 0.00 54.13 53.73 2jfx s LEU 173 Cb -0.13 -1.88 -0.09 0.00 -0.43 0.00 0.00 46.19 43.67 2jfx s LEU 173 CO 0.53 -0.42 1.06 -2.16 -0.29 0.00 0.00 176.35 175.07 2jfx s PRO 174 N 1.34 4.18 -0.05 0.98 0.04 -1.26 -4.68 135.00 135.54 2jfx s PRO 174 Ca 0.01 1.54 0.18 0.00 0.04 0.00 0.00 61.00 62.77 2jfx s PRO 174 Cb -0.21 -2.57 -0.28 0.00 0.04 0.00 0.00 34.50 31.47 2jfx s PRO 174 CO 0.01 -0.14 0.35 0.39 0.04 0.00 0.00 177.00 177.65 2jfx n GLU 175 N -0.01 0.68 -4.38 4.56 1.02 -0.41 -4.70 120.64 117.40 2jfx n GLU 175 Ca 0.05 -0.14 -0.20 0.00 -0.02 0.00 0.00 57.16 56.84 2jfx n GLU 175 Cb 0.49 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.15 0.78 -0.09 2.62 1.01 -1.04 0.56 120.40 121.09 2jfx s VAL 176 Ca -0.07 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2jfx s VAL 176 Cb 0.11 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2jfx s VAL 176 CO 0.78 0.24 -0.10 -0.63 0.00 0.00 0.00 175.10 175.40 2jfx s ILE 177 N 0.22 1.05 -0.25 2.22 1.01 0.33 -1.01 121.20 124.77 2jfx s ILE 177 Ca -0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 2jfx s ILE 177 Cb -0.09 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2jfx s ILE 177 CO 0.01 0.35 0.32 -0.63 0.00 0.00 0.00 174.94 174.98 2jfx s ILE 178 N 1.15 5.23 -1.36 2.92 1.01 0.21 -0.82 121.20 129.54 2jfx s ILE 178 Ca -0.05 0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 2jfx s ILE 178 Cb -0.14 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 38.79 2jfx s ILE 178 CO -0.02 0.23 2.11 0.18 0.00 0.00 0.00 174.94 177.43 2jfx n LEU 179 N 4.90 7.00 -2.23 2.97 4.77 -0.64 -1.37 117.00 132.40 2jfx n LEU 179 Ca -0.10 -4.49 -0.11 0.00 -0.03 0.00 0.00 56.01 51.28 2jfx n LEU 179 Cb 0.51 -1.53 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 2jfx n LEU 179 CO 0.37 1.40 1.48 0.61 -1.33 0.00 0.00 177.39 179.92 2jfx n GLY 180 N 3.16 2.60 3.63 -0.72 0.00 0.07 -4.41 105.19 109.52 2jfx n GLY 180 Ca 0.48 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 3.80 0.93 0.12 0.00 1.35 -1.85 -3.19 112.91 114.07 2jfx h THR 182 Ca -0.28 -0.08 -0.26 0.00 -0.55 0.00 0.00 66.41 65.23 2jfx h THR 182 Cb 1.16 0.68 0.03 0.00 -1.73 0.00 0.00 68.15 68.29 2jfx h THR 182 CO 0.09 0.04 -1.11 0.45 -0.25 0.00 0.00 175.52 174.74 2jfx h HIS 183 N 0.23 0.88 -0.47 4.73 3.86 -1.94 -3.38 115.15 119.05 2jfx h HIS 183 Ca 0.17 -0.57 0.14 0.00 -1.16 0.00 0.00 60.37 58.95 2jfx h HIS 183 Cb 0.39 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 2jfx h HIS 183 CO -0.00 1.41 0.71 0.74 0.86 0.00 0.00 177.93 181.65 2jfx h PHE 184 N 0.09 0.00 0.00 2.45 0.05 -1.89 -1.29 116.94 116.35 2jfx h PHE 184 Ca -0.17 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.61 2jfx h PHE 184 Cb 1.82 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.76 2jfx h PHE 184 CO 0.14 0.00 -0.03 -1.00 -0.18 0.00 0.00 178.31 177.24 2jfx h PRO 185 N 0.00 0.00 0.00 1.51 0.13 -1.78 -2.15 132.00 129.71 2jfx h PRO 185 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2jfx h PRO 185 Cb 1.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.77 2jfx h PRO 185 CO -0.00 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.07 2jfx n LEU 186 N -3.15 0.65 -0.15 1.56 4.32 -0.48 -2.39 117.00 117.36 2jfx n LEU 186 Ca -0.00 0.67 0.06 0.00 -0.02 0.00 0.00 56.01 56.72 2jfx n LEU 186 Cb 0.27 -0.58 0.09 0.00 -1.62 0.00 0.00 43.42 41.57 2jfx n LEU 186 CO 0.27 -0.57 0.48 2.30 -1.22 0.00 0.00 177.39 178.65 2jfx n ILE 187 N -2.23 1.29 -0.20 -0.08 -5.35 -0.86 -4.85 119.36 107.09 2jfx n ILE 187 Ca 0.02 -1.52 0.00 0.00 -0.27 0.00 0.00 62.75 60.98 2jfx n ILE 187 Cb 0.22 0.06 0.11 0.00 -1.74 0.00 0.00 39.64 38.29 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 0.00 0.75 -0.20 -1.28 0.00 -1.05 -0.62 119.26 116.85 2jfx h ALA 188 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2jfx h ALA 188 Cb 1.03 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jfx h ALA 188 CO 0.00 -0.25 -0.16 0.37 0.00 0.00 0.00 179.25 179.22 2jfx h GLN 189 N 0.34 0.34 -0.19 0.00 4.15 -1.88 -0.49 115.11 117.38 2jfx h GLN 189 Ca 0.31 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.50 2jfx h GLN 189 Cb 0.42 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2jfx h GLN 189 CO -0.34 0.50 -0.47 0.87 -1.93 0.00 0.00 178.83 177.45 2jfx h LYS 190 N 0.31 0.48 -0.17 1.69 1.79 -1.59 -0.56 116.57 118.52 2jfx h LYS 190 Ca 0.06 -0.27 -0.11 0.00 -2.18 0.00 0.00 60.65 58.15 2jfx h LYS 190 Cb 0.47 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2jfx h LYS 190 CO 0.03 0.85 -0.32 0.82 -1.08 0.00 0.00 179.45 179.75 2jfx h ILE 191 N 0.38 1.35 -0.49 1.86 2.04 -0.66 -1.54 117.51 120.45 2jfx h ILE 191 Ca 0.02 -1.56 0.03 0.00 1.00 0.00 0.00 64.86 64.35 2jfx h ILE 191 Cb 0.97 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 2jfx h ILE 191 CO 0.09 0.47 0.29 -0.33 0.00 0.00 0.00 178.15 178.67 2jfx h GLU 192 N 0.17 0.55 -0.65 2.37 5.08 -1.00 -1.92 114.58 119.17 2jfx h GLU 192 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jfx h GLU 192 Cb 0.91 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2jfx h GLU 192 CO 0.07 0.37 0.42 0.78 -1.00 0.00 0.00 179.01 179.65 2jfx h GLY 193 N 0.57 0.93 0.78 -3.84 0.00 -1.01 0.45 103.07 100.95 2jfx h GLY 193 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2jfx h GLY 193 CO -0.10 0.35 0.01 -1.82 0.00 0.00 0.00 176.54 174.98 2jfx h TYR 194 N 0.89 0.13 -0.19 5.60 3.20 -0.52 -2.18 116.97 123.91 2jfx h TYR 194 Ca 0.24 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.93 2jfx h TYR 194 Cb -0.08 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2jfx h TYR 194 CO 0.00 0.34 -0.54 0.74 -1.64 0.00 0.00 178.16 177.06 2jfx h PHE 195 N -0.11 0.68 -0.75 -3.82 -1.00 -1.02 -1.06 116.94 109.85 2jfx h PHE 195 Ca 0.02 -0.24 -0.00 0.00 2.81 0.00 0.00 57.97 60.57 2jfx h PHE 195 Cb 0.27 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 2jfx h PHE 195 CO 0.01 0.96 0.46 0.52 -1.61 0.00 0.00 178.31 178.66 2jfx h MET 196 N 0.42 1.01 0.30 1.51 2.86 -0.91 -2.08 114.93 118.05 2jfx h MET 196 Ca 0.01 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2jfx h MET 196 Cb 1.07 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2jfx h MET 196 CO 0.10 0.71 -0.15 0.78 1.06 0.00 0.00 176.91 179.41 2jfx h GLY 197 N 1.03 -0.43 1.88 8.32 0.00 -1.25 0.16 103.07 112.77 2jfx h GLY 197 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2jfx h GLY 197 CO -0.05 -0.15 0.00 1.42 0.00 0.00 0.00 176.54 177.75 2jfx n HIS 198 N -5.05 0.00 -1.74 5.60 -0.00 -0.41 -1.89 115.22 111.73 2jfx n HIS 198 Ca -0.07 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.68 2jfx n HIS 198 Cb 0.22 -0.44 0.04 0.00 -0.00 0.00 0.00 29.99 29.81 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 -1.44 0.00 -4.03 4.41 3.01 -0.78 -5.02 117.46 113.60 2jfx n PHE 199 Ca 0.01 -0.26 -0.36 0.00 1.01 0.00 0.00 57.45 57.84 2jfx n PHE 199 Cb 0.02 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.40 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 -0.37 -2.22 -1.90 4.37 0.00 -0.54 -4.88 120.51 114.96 2jfx n ALA 200 Ca 0.04 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.64 2jfx n ALA 200 Cb 0.68 -1.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 -6.99 4.42 0.14 0.00 1.02 -0.07 -4.97 118.68 112.23 2jfx s LEU 201 Ca 0.31 1.70 -0.07 0.00 0.02 0.00 0.00 54.13 56.09 2jfx s LEU 201 Cb -0.17 -3.72 -0.06 0.00 0.02 0.00 0.00 46.19 42.26 2jfx s LEU 201 CO 0.82 0.04 1.35 -0.65 0.02 0.00 0.00 176.35 177.93 2jfx h PRO 202 N 3.56 0.56 -4.74 1.29 0.11 -1.90 -3.46 132.00 127.42 2jfx h PRO 202 Ca -0.47 -0.49 -0.25 0.00 0.11 0.00 0.00 66.00 64.90 2jfx h PRO 202 Cb 1.20 0.11 -0.16 0.00 0.11 0.00 0.00 31.00 32.26 2jfx h PRO 202 CO 0.66 1.11 -0.71 0.95 -0.21 0.00 0.00 178.00 179.80 2jfx s THR 203 N -3.58 0.78 0.56 -1.15 -4.23 -1.26 -5.15 115.64 101.61 2jfx s THR 203 Ca -0.07 -1.86 -0.16 0.00 -1.18 0.00 0.00 61.69 58.41 2jfx s THR 203 Cb 0.09 -1.60 -0.06 0.00 1.34 0.00 0.00 72.50 72.28 2jfx s THR 203 CO 0.87 -0.79 1.03 -2.16 -0.54 0.00 0.00 174.62 173.03 2jfx s PRO 204 N -3.55 3.60 0.88 3.99 0.04 -1.26 -4.91 135.00 133.80 2jfx s PRO 204 Ca 0.10 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2jfx s PRO 204 Cb 0.03 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.62 2jfx s PRO 204 CO -0.03 -0.57 1.17 -2.14 0.04 0.00 0.00 177.00 175.47 2jfx s PRO 205 N -4.07 1.19 -0.05 0.56 0.02 -1.26 -4.91 135.00 126.48 2jfx s PRO 205 Ca 0.61 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 2jfx s PRO 205 Cb -0.13 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 2jfx s PRO 205 CO 0.34 -2.52 1.13 -1.17 -0.33 0.00 0.00 177.00 174.45 2jfx s LEU 206 N -6.35 4.29 -0.18 -5.54 2.96 0.19 -4.88 118.68 109.18 2jfx s LEU 206 Ca 0.69 1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 56.27 2jfx s LEU 206 Cb -0.25 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 2jfx s LEU 206 CO 0.56 -0.50 0.04 -0.76 -1.32 0.00 0.00 176.35 174.37 2jfx s LEU 207 N 1.92 3.72 -0.36 -0.68 1.02 -1.26 -0.51 118.68 122.53 2jfx s LEU 207 Ca 0.54 0.05 -0.15 0.00 0.02 0.00 0.00 54.13 54.59 2jfx s LEU 207 Cb -0.23 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.04 2jfx s LEU 207 CO 0.22 0.18 0.34 -0.63 0.02 0.00 0.00 176.35 176.48 2jfx s ILE 208 N 0.33 5.20 -0.20 -0.59 -1.09 -0.00 -4.97 121.20 119.87 2jfx s ILE 208 Ca 0.02 -0.14 -0.17 0.00 -2.23 0.00 0.00 60.65 58.13 2jfx s ILE 208 Cb -0.13 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 2jfx s ILE 208 CO 0.01 -0.14 0.45 -2.28 -1.23 0.00 0.00 174.94 171.75 2jfx s HIS 209 N 1.93 3.38 0.21 3.97 5.65 -1.26 -1.62 115.29 127.55 2jfx s HIS 209 Ca 0.10 0.69 -0.09 0.00 0.25 0.00 0.00 55.06 56.01 2jfx s HIS 209 Cb -0.17 -2.58 0.17 0.00 -1.18 0.00 0.00 32.58 28.81 2jfx s HIS 209 CO 0.11 -0.04 1.84 0.77 -0.65 0.00 0.00 174.74 176.78 2jfx h SER 210 N 7.39 0.99 0.55 9.88 0.02 -1.91 -1.65 113.55 128.81 2jfx h SER 210 Ca -0.35 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 2jfx h SER 210 Cb 1.16 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.45 2jfx h SER 210 CO 0.73 0.79 -0.26 1.23 -1.14 0.00 0.00 176.83 178.17 2jfx h GLY 211 N 1.11 -0.77 1.30 -3.77 0.00 -1.90 -1.75 103.07 97.29 2jfx h GLY 211 Ca 0.28 0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.95 2jfx h GLY 211 CO -0.05 -0.28 0.37 -0.55 0.00 0.00 0.00 176.54 176.03 2jfx h ASP 212 N -0.84 0.50 -0.21 0.19 3.32 -1.87 -2.18 116.42 115.33 2jfx h ASP 212 Ca -0.08 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2jfx h ASP 212 Cb 0.61 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2jfx h ASP 212 CO 0.12 0.34 -0.07 0.00 -1.72 0.00 0.00 179.24 177.91 2jfx h ALA 213 N 1.69 0.29 -0.75 3.45 0.00 -1.17 -2.57 119.26 120.21 2jfx h ALA 213 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jfx h ALA 213 Cb 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2jfx h ALA 213 CO -0.06 0.09 0.40 0.97 0.00 0.00 0.00 179.25 180.65 2jfx h ILE 214 N 0.13 1.23 0.62 0.00 6.09 -0.89 -1.47 117.51 123.22 2jfx h ILE 214 Ca 0.05 -0.58 -0.03 0.00 -1.37 0.00 0.00 64.86 62.93 2jfx h ILE 214 Cb 0.54 0.25 -0.00 0.00 0.47 0.00 0.00 36.82 38.08 2jfx h ILE 214 CO 0.02 0.26 -0.34 0.58 -3.07 0.00 0.00 178.15 175.60 2jfx h VAL 215 N 1.03 0.30 -0.38 2.19 2.07 -1.39 0.31 116.25 120.37 2jfx h VAL 215 Ca 0.26 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.86 2jfx h VAL 215 Cb 0.05 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 2jfx h VAL 215 CO -0.04 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.17 2jfx h GLU 216 N -0.90 0.05 -0.28 1.57 5.08 -1.37 -0.43 114.58 118.29 2jfx h GLU 216 Ca -0.08 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2jfx h GLU 216 Cb 0.71 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2jfx h GLU 216 CO 0.10 0.03 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.20 2jfx h TYR 217 N 0.05 -0.05 -0.08 4.33 3.20 -1.02 -0.11 116.97 123.28 2jfx h TYR 217 Ca 0.19 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2jfx h TYR 217 Cb 0.27 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2jfx h TYR 217 CO -0.30 -0.07 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.98 2jfx h LEU 218 N 0.06 0.11 -0.30 2.82 4.07 0.58 0.02 115.31 122.66 2jfx h LEU 218 Ca 0.14 -0.02 -0.20 0.00 0.08 0.00 0.00 57.88 57.88 2jfx h LEU 218 Cb 0.19 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2jfx h LEU 218 CO -0.25 0.23 -0.72 1.56 -1.08 0.00 0.00 178.44 178.18 2jfx h GLN 219 N 0.12 0.62 0.00 1.13 4.20 -0.44 -1.68 115.11 119.06 2jfx h GLN 219 Ca 0.03 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2jfx h GLN 219 Cb 0.26 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2jfx h GLN 219 CO 0.02 1.11 0.00 0.94 -0.67 0.00 0.00 178.83 180.22 2jfx n GLN 220 N -3.90 0.00 -0.34 1.46 -0.06 -0.12 -2.48 117.38 111.94 2jfx n GLN 220 Ca -0.06 0.31 0.16 0.00 -2.00 0.00 0.00 57.00 55.42 2jfx n GLN 220 Cb 0.71 -1.25 0.36 0.00 -4.06 0.00 0.00 30.24 26.00 2jfx n GLN 220 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2jfx h LYS 221 N 0.00 0.55 -3.03 3.69 3.64 -1.15 -3.15 116.57 117.11 2jfx h LYS 221 Ca 0.00 -0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.73 2jfx h LYS 221 Cb 0.00 -0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 31.29 2jfx h LYS 221 CO 0.00 0.36 -0.65 0.71 -2.27 0.00 0.00 179.45 177.60 2jfx s TYR 222 N -5.81 3.05 -0.52 1.91 1.51 -0.63 -5.03 117.35 111.83 2jfx s TYR 222 Ca -0.11 -3.10 -0.05 0.00 -1.01 0.00 0.00 57.07 52.80 2jfx s TYR 222 Cb 0.26 -2.42 -0.18 0.00 -0.11 0.00 0.00 41.96 39.51 2jfx s TYR 222 CO 0.79 -0.63 1.54 0.00 -1.11 0.00 0.00 175.55 176.14 2jfx n ALA 223 N 2.41 0.80 -2.00 3.71 0.00 -1.03 -4.46 120.51 119.95 2jfx n ALA 223 Ca 0.17 -0.84 -0.28 0.00 0.00 0.00 0.00 53.44 52.49 2jfx n ALA 223 Cb 0.36 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.38 2jfx n ALA 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jfx s LEU 224 N 0.00 3.10 0.00 0.00 1.43 -1.24 -5.08 118.68 116.89 2jfx s LEU 224 Ca 0.69 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 2jfx s LEU 224 Cb -0.44 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2jfx s LEU 224 CO 0.30 -1.16 0.00 1.17 0.23 0.00 0.00 176.35 176.88 2jfx n LYS 225 N -2.76 0.00 0.00 1.70 3.00 -1.26 -5.04 118.16 113.80 2jfx n LYS 225 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2jfx n LYS 225 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 2jfx n LYS 225 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2jfx n PHE 231 N 0.00 0.00 0.00 5.64 0.99 -1.26 -5.48 117.46 117.35 2jfx n PHE 231 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2jfx n PHE 231 Cb 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 39.48 38.28 2jfx n PHE 231 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2jfx n PRO 232 N 0.73 0.00 -3.80 -1.08 -0.02 -0.96 -4.89 135.00 124.98 2jfx n PRO 232 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 2jfx n PRO 232 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.32 2jfx n PRO 232 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jfx s LYS 233 N 0.00 0.97 0.05 -0.52 1.02 -1.00 -5.03 119.74 115.22 2jfx s LYS 233 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2jfx s LYS 233 Cb 0.00 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2jfx s LYS 233 CO 0.00 -0.59 0.17 0.08 -0.92 0.00 0.00 175.35 174.09 2jfx s VAL 234 N 1.73 5.20 -0.14 3.17 1.01 -1.26 -2.21 120.40 127.91 2jfx s VAL 234 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 2jfx s VAL 234 Cb -0.17 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.73 2jfx s VAL 234 CO -0.07 0.18 -0.07 -0.70 0.00 0.00 0.00 175.10 174.44 2jfx s GLU 235 N -2.35 1.50 -0.02 2.72 2.12 -0.70 -4.98 118.70 116.99 2jfx s GLU 235 Ca 0.32 -0.37 -0.16 0.00 0.36 0.00 0.00 54.97 55.12 2jfx s GLU 235 Cb -0.13 -1.78 -0.05 0.00 0.26 0.00 0.00 34.13 32.43 2jfx s GLU 235 CO 0.25 -0.34 0.44 -0.06 -0.54 0.00 0.00 175.26 175.01 2jfx s PHE 236 N 1.67 3.68 -0.00 5.30 0.40 -1.26 -1.25 117.98 126.52 2jfx s PHE 236 Ca 0.03 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 2jfx s PHE 236 Cb -0.14 -2.37 0.01 0.00 0.51 0.00 0.00 43.02 41.03 2jfx s PHE 236 CO -0.08 0.52 0.00 -1.01 0.70 0.00 0.00 175.22 175.35 2jfx s HIS 237 N -0.66 0.05 0.11 0.36 3.76 0.15 -4.98 115.29 114.09 2jfx s HIS 237 Ca 0.25 0.01 0.01 0.00 -0.15 0.00 0.00 55.06 55.18 2jfx s HIS 237 Cb -0.17 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 2jfx s HIS 237 CO 0.13 -0.02 -0.03 0.00 -0.85 0.00 0.00 174.74 173.97 2jfx s ALA 238 N 0.18 0.96 -0.07 -1.40 0.00 -1.26 -0.91 121.76 119.26 2jfx s ALA 238 Ca -0.02 -1.39 -0.13 0.00 0.00 0.00 0.00 51.96 50.42 2jfx s ALA 238 Cb -0.03 0.36 -0.29 0.00 0.00 0.00 0.00 23.12 23.16 2jfx s ALA 238 CO -0.01 -0.31 0.64 1.03 0.00 0.00 0.00 175.76 177.11 2jfx h SER 239 N 2.93 0.52 -1.71 0.00 0.87 -1.37 -3.44 113.55 111.35 2jfx h SER 239 Ca -0.35 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.30 2jfx h SER 239 Cb 1.17 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2jfx h SER 239 CO 0.64 1.71 0.00 0.61 -0.53 0.00 0.00 176.83 179.26 2jfx n GLY 240 N 1.81 0.42 3.60 5.77 0.00 -1.26 -4.65 105.19 110.87 2jfx n GLY 240 Ca -0.24 -1.85 -0.47 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.17 3.13 0.02 1.61 -0.08 -1.26 -4.85 116.55 113.95 2jfx n ASP 241 Ca 0.00 0.60 -0.05 0.00 -1.51 0.00 0.00 54.79 53.83 2jfx n ASP 241 Cb 0.00 -1.41 0.17 0.00 2.34 0.00 0.00 41.12 42.22 2jfx n ASP 241 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2jfx h VAL 242 N 6.38 1.28 -0.21 5.18 3.04 -1.91 -2.52 116.25 127.50 2jfx h VAL 242 Ca -0.41 -1.41 -0.07 0.00 -1.01 0.00 0.00 66.70 63.79 2jfx h VAL 242 Cb 1.27 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 2jfx h VAL 242 CO 0.97 0.44 -0.20 -0.29 -1.01 0.00 0.00 177.57 177.48 2jfx h ILE 243 N 0.41 1.23 -0.68 3.17 6.09 -1.98 0.63 117.51 126.39 2jfx h ILE 243 Ca 0.05 -1.08 -0.05 0.00 -1.37 0.00 0.00 64.86 62.41 2jfx h ILE 243 Cb 0.77 1.30 -0.03 0.00 0.47 0.00 0.00 36.82 39.34 2jfx h ILE 243 CO 0.06 0.34 0.22 -0.50 -3.07 0.00 0.00 178.15 175.20 2jfx h TRP 244 N 0.33 1.06 -0.15 2.19 4.06 -1.85 -1.83 115.95 119.77 2jfx h TRP 244 Ca 0.06 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.83 2jfx h TRP 244 Cb 0.54 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 2jfx h TRP 244 CO 0.01 0.84 -0.21 1.25 -3.56 0.00 0.00 178.44 176.77 2jfx h LEU 245 N 1.00 0.44 -1.73 -4.49 5.85 -0.98 -3.04 115.31 112.36 2jfx h LEU 245 Ca 0.22 -0.52 0.06 0.00 0.84 0.00 0.00 57.88 58.48 2jfx h LEU 245 Cb 0.27 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2jfx h LEU 245 CO -0.01 0.88 0.29 -0.33 -0.34 0.00 0.00 178.44 178.92 2jfx h GLU 246 N 0.02 0.32 -0.35 1.25 5.08 -0.73 -1.00 114.58 119.16 2jfx h GLU 246 Ca 0.01 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2jfx h GLU 246 Cb 0.78 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2jfx h GLU 246 CO 0.05 0.21 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.14 2jfx h ARG 247 N 0.33 0.57 -0.31 2.33 2.43 -1.22 -2.77 114.38 115.75 2jfx h ARG 247 Ca 0.18 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 2jfx h ARG 247 Cb 0.31 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2jfx h ARG 247 CO -0.04 0.62 -0.52 1.96 -1.51 0.00 0.00 179.97 180.48 2jfx h GLN 248 N 0.54 0.89 -0.94 0.20 1.08 -1.14 -3.12 115.11 112.63 2jfx h GLN 248 Ca 0.11 -0.55 0.21 0.00 -1.45 0.00 0.00 58.65 56.98 2jfx h GLN 248 Cb 0.41 0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 27.77 2jfx h GLN 248 CO 0.02 1.19 0.49 0.00 -0.95 0.00 0.00 178.83 179.58 2jfx h ALA 249 N 0.71 1.56 -0.68 3.87 0.00 -1.15 -0.38 119.26 123.19 2jfx h ALA 249 Ca 0.02 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2jfx h ALA 249 Cb 1.12 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2jfx h ALA 249 CO 0.12 -0.25 0.31 0.87 0.00 0.00 0.00 179.25 180.30 2jfx h LYS 250 N 0.54 0.51 0.07 0.00 1.79 -1.55 0.74 116.57 118.66 2jfx h LYS 250 Ca 0.58 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.86 2jfx h LYS 250 Cb 1.04 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 31.59 2jfx h LYS 250 CO -0.47 0.34 -0.66 0.93 -1.08 0.00 0.00 179.45 178.51 2jfx h GLU 251 N 0.53 0.32 0.21 3.15 3.07 -1.23 -3.10 114.58 117.54 2jfx h GLU 251 Ca 0.34 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2jfx h GLU 251 Cb 0.38 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2jfx h GLU 251 CO -0.29 1.15 -0.10 -1.49 -1.40 0.00 0.00 179.01 176.89 2jfx h TRP 252 N -0.29 -0.26 0.00 4.33 4.06 -1.17 -3.04 115.95 119.58 2jfx h TRP 252 Ca -0.10 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.84 2jfx h TRP 252 Cb 1.44 0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.68 2jfx h TRP 252 CO 0.18 -0.03 0.00 1.28 -3.56 0.00 0.00 178.44 176.31 2jfx n LEU 253 N -5.13 0.00 -0.70 -4.49 4.77 0.24 -4.91 117.00 106.78 2jfx n LEU 253 Ca -0.09 0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 2jfx n LEU 253 Cb 0.19 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2jfx n LEU 253 CO 0.33 -0.18 0.32 1.17 -1.33 0.00 0.00 177.39 177.70 2jfx n LYS 254 N -1.45 0.00 0.00 3.23 3.00 -1.15 -5.02 118.16 116.77 2jfx n LYS 254 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2jfx n LYS 254 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 35.03 34.98 2jfx n LYS 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68