#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfx n THR 2 N 0.00 0.40 -2.14 5.18 -2.24 -1.26 -4.74 114.28 109.48 1jfx n THR 2 Ca 0.00 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1jfx n THR 2 Cb 0.00 0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.59 1jfx n THR 2 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jfx s SER 3 N -1.24 5.77 0.82 3.42 1.04 -1.26 -4.90 113.70 117.35 1jfx s SER 3 Ca 0.29 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1jfx s SER 3 Cb 0.15 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1jfx s SER 3 CO 0.21 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1jfx n GLY 4 N -2.72 0.74 3.68 7.32 0.00 -1.26 -4.65 105.19 108.29 1jfx n GLY 4 Ca 0.05 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1jfx n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfx s VAL 5 N 0.00 3.63 0.19 1.61 1.01 -1.26 -5.01 120.40 120.57 1jfx s VAL 5 Ca 0.00 1.00 0.10 0.00 0.00 0.00 0.00 61.98 63.07 1jfx s VAL 5 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1jfx s VAL 5 CO 0.00 -0.01 -0.20 -1.10 0.00 0.00 0.00 175.10 173.79 1jfx s GLN 6 N 2.64 1.39 0.23 2.72 -1.52 -1.26 -1.79 119.66 122.07 1jfx s GLN 6 Ca 0.66 -1.49 -0.07 0.00 -1.95 0.00 0.00 55.36 52.50 1jfx s GLN 6 Cb -0.32 -1.50 0.03 0.00 -0.22 0.00 0.00 33.01 30.99 1jfx s GLN 6 CO 0.27 0.31 0.43 0.41 -0.25 0.00 0.00 175.29 176.46 1jfx n GLY 7 N 0.14 1.63 3.25 3.09 0.00 -0.01 -0.59 105.19 112.70 1jfx n GLY 7 Ca -0.12 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1jfx n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jfx s ILE 8 N -2.51 0.15 0.01 -0.61 -4.36 -0.84 -0.88 121.20 112.16 1jfx s ILE 8 Ca 0.11 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 1jfx s ILE 8 Cb -0.02 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 1jfx s ILE 8 CO 0.08 0.00 -0.03 1.51 0.24 0.00 0.00 174.94 176.75 1jfx s ASP 9 N -3.23 0.26 0.15 4.36 1.47 -1.08 -1.74 116.67 116.87 1jfx s ASP 9 Ca 0.39 -0.22 -0.06 0.00 1.18 0.00 0.00 52.55 53.84 1jfx s ASP 9 Cb 0.07 0.02 -0.02 0.00 -0.34 0.00 0.00 42.92 42.65 1jfx s ASP 9 CO 0.14 -0.10 0.19 0.68 0.68 0.00 0.00 175.17 176.77 1jfx s VAL 10 N -0.59 0.08 0.06 2.11 -7.23 -0.44 -3.96 120.40 110.42 1jfx s VAL 10 Ca -0.05 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1jfx s VAL 10 Cb -0.04 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.94 1jfx s VAL 10 CO -0.00 -0.35 0.07 -1.54 -0.31 0.00 0.00 175.10 172.97 1jfx n SER 11 N -0.17 -0.20 0.34 4.85 3.41 -1.26 -1.02 113.62 119.57 1jfx n SER 11 Ca -0.06 -1.35 0.23 0.00 -0.26 0.00 0.00 58.87 57.42 1jfx n SER 11 Cb 0.63 0.39 1.22 0.00 -0.26 0.00 0.00 64.21 66.19 1jfx n SER 11 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1jfx h HIS 12 N 1.18 0.00 0.00 7.33 2.07 -1.92 -1.40 115.15 122.41 1jfx h HIS 12 Ca -0.05 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1jfx h HIS 12 Cb 0.21 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.19 1jfx h HIS 12 CO 0.00 0.00 -0.02 -1.49 -3.07 0.00 0.00 177.93 173.35 1jfx h TRP 13 N 0.00 0.00 -0.00 6.12 4.06 -2.02 -1.17 115.95 122.94 1jfx h TRP 13 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jfx h TRP 13 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1jfx h TRP 13 CO 0.00 0.02 -0.03 1.04 -3.56 0.00 0.00 178.44 175.91 1jfx n GLN 14 N -3.82 1.00 0.00 0.49 3.00 -0.53 -5.02 117.38 112.50 1jfx n GLN 14 Ca -0.03 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1jfx n GLN 14 Cb 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.85 1jfx n GLN 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jfx n GLY 15 N 1.14 2.00 3.68 1.08 0.00 -0.44 -4.53 105.19 108.11 1jfx n GLY 15 Ca 0.19 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1jfx n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jfx s SER 16 N -4.00 7.11 -0.09 1.61 0.15 -1.26 -4.96 113.70 112.26 1jfx s SER 16 Ca 0.00 1.61 0.02 0.00 0.70 0.00 0.00 55.95 58.28 1jfx s SER 16 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1jfx s SER 16 CO 0.00 -0.59 -0.14 -0.63 1.20 0.00 0.00 173.24 173.08 1jfx s ILE 17 N 2.58 3.06 -0.63 6.45 1.01 -1.26 -4.67 121.20 127.74 1jfx s ILE 17 Ca 0.51 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 1jfx s ILE 17 Cb -0.20 -2.24 0.13 0.00 0.01 0.00 0.00 42.46 40.15 1jfx s ILE 17 CO 0.16 0.56 0.68 0.21 0.00 0.00 0.00 174.94 176.55 1jfx s ASN 18 N -0.20 6.28 0.49 3.58 3.84 -0.35 -4.92 114.94 123.66 1jfx s ASN 18 Ca 0.00 -1.73 0.25 0.00 0.21 0.00 0.00 52.86 51.60 1jfx s ASN 18 Cb -0.13 -2.27 1.23 0.00 -0.55 0.00 0.00 41.25 39.53 1jfx s ASN 18 CO 0.03 -0.98 1.97 -0.50 -2.79 0.00 0.00 177.10 174.84 1jfx h TRP 19 N 8.91 0.00 -0.13 0.43 4.06 -1.86 -1.89 115.95 125.46 1jfx h TRP 19 Ca -0.22 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.64 1jfx h TRP 19 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 1jfx h TRP 19 CO 0.85 0.17 -0.30 0.66 -3.56 0.00 0.00 178.44 176.27 1jfx h SER 20 N 0.00 0.25 0.27 -3.49 4.64 -1.90 -1.22 113.55 112.10 1jfx h SER 20 Ca -0.00 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 1jfx h SER 20 Cb 0.50 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1jfx h SER 20 CO 0.02 0.55 -0.61 0.28 -0.87 0.00 0.00 176.83 176.20 1jfx h SER 21 N 0.22 0.38 -0.49 4.97 0.02 -1.63 -0.84 113.55 116.19 1jfx h SER 21 Ca 0.03 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1jfx h SER 21 Cb 0.64 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1jfx h SER 21 CO 0.05 0.90 0.10 0.58 -1.14 0.00 0.00 176.83 177.32 1jfx h VAL 22 N 0.25 1.24 -0.28 2.27 2.07 -1.01 -0.98 116.25 119.80 1jfx h VAL 22 Ca -0.01 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1jfx h VAL 22 Cb 1.14 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1jfx h VAL 22 CO 0.10 0.31 0.03 0.50 0.02 0.00 0.00 177.57 178.53 1jfx h LYS 23 N 0.67 0.48 0.00 1.57 1.63 -1.13 -2.84 116.57 116.95 1jfx h LYS 23 Ca 0.15 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1jfx h LYS 23 Cb 0.35 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1jfx h LYS 23 CO 0.00 0.60 0.00 0.66 -3.45 0.00 0.00 179.45 177.27 1jfx h SER 24 N 0.28 0.00 0.67 4.20 4.64 -0.98 -0.90 113.55 121.46 1jfx h SER 24 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1jfx h SER 24 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jfx h SER 24 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1jfx n ALA 25 N -2.09 1.72 0.00 5.18 0.00 -0.39 -4.87 120.51 120.06 1jfx n ALA 25 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1jfx n ALA 25 Cb 0.27 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1jfx n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfx n GLY 26 N 0.12 0.89 3.76 0.00 0.00 -0.34 -5.01 105.19 104.61 1jfx n GLY 26 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1jfx n GLY 26 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jfx s MET 27 N -0.67 4.62 -0.13 1.61 -1.94 -1.11 -4.70 119.30 116.98 1jfx s MET 27 Ca 0.00 1.76 0.16 0.00 -1.71 0.00 0.00 55.69 55.90 1jfx s MET 27 Cb 0.00 -3.15 -0.23 0.00 2.01 0.00 0.00 34.83 33.45 1jfx s MET 27 CO 0.00 0.21 0.15 0.43 -0.01 0.00 0.00 175.02 175.81 1jfx n SER 28 N 1.13 0.74 -4.03 3.03 7.64 0.24 -4.58 113.62 117.80 1jfx n SER 28 Ca -0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.77 1jfx n SER 28 Cb 0.45 1.17 -0.07 0.00 -1.01 0.00 0.00 64.21 64.75 1jfx n SER 28 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1jfx s PHE 29 N -2.65 0.56 -0.12 1.43 -0.12 -1.19 -1.66 117.98 114.23 1jfx s PHE 29 Ca -0.08 -0.90 -0.25 0.00 -0.05 0.00 0.00 56.93 55.65 1jfx s PHE 29 Cb 0.07 -0.12 0.06 0.00 -0.63 0.00 0.00 43.02 42.40 1jfx s PHE 29 CO 0.72 -0.75 0.62 0.00 -0.05 0.00 0.00 175.22 175.76 1jfx s ALA 30 N -4.02 -1.58 -0.07 1.99 0.00 -0.56 -1.98 121.76 115.54 1jfx s ALA 30 Ca 0.23 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.60 1jfx s ALA 30 Cb 0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1jfx s ALA 30 CO 0.04 -0.33 -0.10 0.71 0.00 0.00 0.00 175.76 176.08 1jfx s TYR 31 N -0.58 2.83 -0.08 0.00 2.02 -0.71 -1.13 117.35 119.70 1jfx s TYR 31 Ca -0.07 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1jfx s TYR 31 Cb -0.02 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1jfx s TYR 31 CO 0.06 0.18 -0.19 0.42 -1.57 0.00 0.00 175.55 174.45 1jfx s ILE 32 N -0.56 1.66 0.18 2.71 1.01 0.03 -1.33 121.20 124.90 1jfx s ILE 32 Ca 0.08 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.63 1jfx s ILE 32 Cb -0.12 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 1jfx s ILE 32 CO 0.02 0.47 1.44 -0.75 0.00 0.00 0.00 174.94 176.12 1jfx s LYS 33 N 0.47 4.29 -0.01 2.79 2.20 -0.19 -1.35 119.74 127.95 1jfx s LYS 33 Ca -0.17 2.22 -0.05 0.00 -0.36 0.00 0.00 55.97 57.60 1jfx s LYS 33 Cb -0.17 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1jfx s LYS 33 CO 0.07 -0.45 -0.10 0.00 -0.36 0.00 0.00 175.35 174.51 1jfx n ALA 34 N 3.24 2.04 -2.38 3.13 0.00 -0.51 -4.43 120.51 121.60 1jfx n ALA 34 Ca 0.10 -0.27 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 1jfx n ALA 34 Cb 0.41 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1jfx n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jfx s THR 35 N -1.99 1.24 -0.11 0.00 -4.23 -1.21 -0.16 115.64 109.17 1jfx s THR 35 Ca -0.09 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.26 1jfx s THR 35 Cb 0.01 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1jfx s THR 35 CO 0.13 -0.27 0.32 -0.70 -0.54 0.00 0.00 174.62 173.55 1jfx s GLU 36 N -3.83 0.38 4.26 3.99 2.12 -0.74 -0.91 118.70 123.97 1jfx s GLU 36 Ca 0.30 0.41 0.00 0.00 0.36 0.00 0.00 54.97 56.03 1jfx s GLU 36 Cb 0.06 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1jfx s GLU 36 CO 0.11 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 1jfx n GLY 37 N 2.82 2.52 0.02 -1.50 0.00 -0.42 -2.02 105.19 106.61 1jfx n GLY 37 Ca -0.13 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1jfx n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jfx n THR 38 N 0.00 0.07 -1.94 2.61 -2.24 -1.26 -4.74 114.28 106.78 1jfx n THR 38 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1jfx n THR 38 Cb 0.00 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1jfx n THR 38 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jfx n ASN 39 N -2.19 0.00 -4.82 3.42 0.23 -1.22 -5.06 115.26 105.61 1jfx n ASN 39 Ca -0.02 -1.54 -0.36 0.00 -0.53 0.00 0.00 54.58 52.12 1jfx n ASN 39 Cb 0.53 -0.11 -0.07 0.00 -2.08 0.00 0.00 39.78 38.06 1jfx n ASN 39 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1jfx s TYR 40 N 0.00 3.53 -0.07 -2.53 6.14 -0.86 -5.01 117.35 118.56 1jfx s TYR 40 Ca 0.00 0.45 0.01 0.00 0.64 0.00 0.00 57.07 58.18 1jfx s TYR 40 Cb 0.00 -2.02 0.02 0.00 0.42 0.00 0.00 41.96 40.37 1jfx s TYR 40 CO 0.00 0.57 -0.09 0.21 0.64 0.00 0.00 175.55 176.88 1jfx s LYS 41 N -0.50 1.45 0.07 4.97 2.47 -1.26 -1.79 119.74 125.14 1jfx s LYS 41 Ca 0.12 -0.30 -0.31 0.00 -1.56 0.00 0.00 55.97 53.92 1jfx s LYS 41 Cb -0.12 -1.30 -0.08 0.00 -1.46 0.00 0.00 37.83 34.88 1jfx s LYS 41 CO 0.02 -0.05 1.63 0.34 0.16 0.00 0.00 175.35 177.44 1jfx s ASP 42 N 0.92 6.62 0.57 1.43 -1.08 0.77 -4.89 116.67 121.01 1jfx s ASP 42 Ca -0.10 2.46 0.34 0.00 -0.52 0.00 0.00 52.55 54.73 1jfx s ASP 42 Cb -0.15 -2.56 1.71 0.00 -1.46 0.00 0.00 42.92 40.45 1jfx s ASP 42 CO 0.01 -0.87 2.13 0.44 0.52 0.00 0.00 175.17 177.40 1jfx h ASP 43 N 8.22 0.00 0.05 -0.34 3.32 -1.92 -2.43 116.42 123.31 1jfx h ASP 43 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1jfx h ASP 43 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1jfx h ASP 43 CO 0.93 0.05 -0.30 0.54 -1.72 0.00 0.00 179.24 178.73 1jfx n ARG 44 N -3.32 1.34 0.05 3.56 5.12 -1.26 -4.64 116.66 117.51 1jfx n ARG 44 Ca -0.01 -1.02 -0.12 0.00 -1.93 0.00 0.00 57.85 54.77 1jfx n ARG 44 Cb 0.21 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.98 1jfx n ARG 44 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1jfx h PHE 45 N 2.49 -0.95 -0.63 -1.55 3.57 -1.65 -1.39 116.94 116.83 1jfx h PHE 45 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1jfx h PHE 45 Cb 0.71 0.42 -0.06 0.00 2.79 0.00 0.00 35.95 39.82 1jfx h PHE 45 CO 0.00 -0.43 0.32 0.77 -2.23 0.00 0.00 178.31 176.74 1jfx h SER 46 N -0.48 0.44 -0.31 0.41 0.02 -1.82 0.92 113.55 112.72 1jfx h SER 46 Ca 0.06 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1jfx h SER 46 Cb 0.58 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1jfx h SER 46 CO -0.29 0.28 -0.15 0.00 -1.14 0.00 0.00 176.83 175.53 1jfx h ALA 47 N 1.35 0.44 -0.41 3.77 0.00 -1.85 -1.57 119.26 121.00 1jfx h ALA 47 Ca 0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jfx h ALA 47 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jfx h ALA 47 CO -0.21 0.34 0.19 -0.91 0.00 0.00 0.00 179.25 178.66 1jfx h ASN 48 N 0.42 0.53 -0.84 0.00 2.35 -0.87 0.97 115.58 118.13 1jfx h ASN 48 Ca 0.07 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1jfx h ASN 48 Cb 0.68 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1jfx h ASN 48 CO 0.05 0.51 0.52 0.22 -1.65 0.00 0.00 177.43 177.08 1jfx h TYR 49 N 0.52 1.09 0.06 1.19 3.20 -0.78 0.15 116.97 122.40 1jfx h TYR 49 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1jfx h TYR 49 Cb 0.12 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.03 1jfx h TYR 49 CO -0.01 0.72 -0.03 1.15 -1.64 0.00 0.00 178.16 178.35 1jfx h THR 50 N 1.15 1.23 -0.26 1.81 2.02 -1.03 -3.01 112.91 114.83 1jfx h THR 50 Ca 0.30 -1.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 1jfx h THR 50 Cb -0.07 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1jfx h THR 50 CO -0.06 0.28 -0.27 0.78 0.37 0.00 0.00 175.52 176.62 1jfx h ASN 51 N -0.62 0.53 -0.43 4.18 2.35 -0.68 -0.92 115.58 119.98 1jfx h ASN 51 Ca -0.01 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 1jfx h ASN 51 Cb 0.53 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1jfx h ASN 51 CO 0.01 0.79 0.11 0.00 -1.65 0.00 0.00 177.43 176.69 1jfx h ALA 52 N 1.25 0.57 -0.11 -0.83 0.00 -0.81 -1.42 119.26 117.91 1jfx h ALA 52 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jfx h ALA 52 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jfx h ALA 52 CO 0.05 0.25 0.06 -0.92 0.00 0.00 0.00 179.25 178.70 1jfx h TYR 53 N 0.57 0.14 0.00 0.00 5.03 -1.34 -1.54 116.97 119.83 1jfx h TYR 53 Ca 0.14 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1jfx h TYR 53 Cb 0.31 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.54 1jfx h TYR 53 CO 0.02 0.14 -0.09 -0.91 -1.32 0.00 0.00 178.16 176.00 1jfx h ASN 54 N 0.10 0.00 0.66 -2.11 2.35 -1.01 -0.98 115.58 114.59 1jfx h ASN 54 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1jfx h ASN 54 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1jfx h ASN 54 CO -0.01 0.09 -0.02 0.00 -1.65 0.00 0.00 177.43 175.85 1jfx n ALA 55 N -2.46 2.48 -0.46 -0.83 0.00 -0.55 -4.90 120.51 113.80 1jfx n ALA 55 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1jfx n ALA 55 Cb 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1jfx n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfx n GLY 56 N 1.34 0.74 3.74 0.00 0.00 -0.37 -4.87 105.19 105.77 1jfx n GLY 56 Ca 0.12 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1jfx n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfx s ILE 57 N -2.00 4.77 -0.34 -0.61 -1.09 -0.62 -5.00 121.20 116.32 1jfx s ILE 57 Ca 0.00 1.65 -0.29 0.00 -2.23 0.00 0.00 60.65 59.78 1jfx s ILE 57 Cb 0.00 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1jfx s ILE 57 CO 0.00 0.33 1.15 -0.63 -1.23 0.00 0.00 174.94 174.56 1jfx s ILE 58 N 0.13 4.35 0.10 2.92 1.01 -0.66 -4.31 121.20 124.73 1jfx s ILE 58 Ca 0.40 1.52 0.04 0.00 0.00 0.00 0.00 60.65 62.61 1jfx s ILE 58 Cb -0.20 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 1jfx s ILE 58 CO 0.23 -0.57 -0.12 0.00 0.00 0.00 0.00 174.94 174.48 1jfx s ARG 59 N 3.94 0.87 0.29 2.79 1.04 -0.10 -1.49 118.95 126.28 1jfx s ARG 59 Ca 0.49 -1.12 0.04 0.00 -1.04 0.00 0.00 55.73 54.10 1jfx s ARG 59 Cb -0.13 -0.67 -0.03 0.00 -2.04 0.00 0.00 34.95 32.09 1jfx s ARG 59 CO 0.20 0.12 0.22 0.20 -0.04 0.00 0.00 175.30 176.00 1jfx s GLY 60 N -2.28 2.03 0.23 3.88 0.00 -0.29 -1.08 107.32 109.81 1jfx s GLY 60 Ca 0.04 -1.92 0.09 0.00 0.00 0.00 0.00 44.72 42.94 1jfx s GLY 60 CO 0.01 -1.46 -0.06 0.00 0.00 0.00 0.00 173.10 171.59 1jfx s ALA 61 N -3.69 3.03 0.07 3.20 0.00 -1.26 -0.79 121.76 122.32 1jfx s ALA 61 Ca 0.40 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.80 1jfx s ALA 61 Cb 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1jfx s ALA 61 CO 0.22 0.36 -0.11 1.52 0.00 0.00 0.00 175.76 177.74 1jfx s TYR 62 N -2.07 1.02 -0.16 0.00 -0.85 -0.45 -1.52 117.35 113.31 1jfx s TYR 62 Ca 0.28 -0.53 -0.01 0.00 -0.52 0.00 0.00 57.07 56.30 1jfx s TYR 62 Cb -0.07 -0.57 -0.01 0.00 0.38 0.00 0.00 41.96 41.68 1jfx s TYR 62 CO 0.17 0.00 -0.11 -1.58 -1.52 0.00 0.00 175.55 172.52 1jfx s HIS 63 N -1.63 2.86 -0.48 -3.49 5.65 -0.08 -1.43 115.29 116.70 1jfx s HIS 63 Ca -0.02 -0.82 -0.24 0.00 0.25 0.00 0.00 55.06 54.23 1jfx s HIS 63 Cb -0.08 -1.93 0.03 0.00 -1.18 0.00 0.00 32.58 29.42 1jfx s HIS 63 CO 0.01 -0.37 0.85 0.12 -0.65 0.00 0.00 174.74 174.70 1jfx s PHE 64 N 0.79 2.93 0.43 3.88 2.19 -0.09 -0.49 117.98 127.62 1jfx s PHE 64 Ca -0.04 0.14 -0.24 0.00 0.33 0.00 0.00 56.93 57.12 1jfx s PHE 64 Cb -0.15 -3.83 -0.08 0.00 -1.31 0.00 0.00 43.02 37.65 1jfx s PHE 64 CO 0.01 -1.11 1.21 0.00 1.83 0.00 0.00 175.22 177.16 1jfx s ALA 65 N 3.54 3.09 -0.49 11.12 0.00 -0.06 -1.30 121.76 137.65 1jfx s ALA 65 Ca 0.31 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1jfx s ALA 65 Cb -0.12 -3.42 0.17 0.00 0.00 0.00 0.00 23.12 19.76 1jfx s ALA 65 CO 0.22 -0.69 0.40 0.54 0.00 0.00 0.00 175.76 176.23 1jfx n ARG 66 N -0.18 0.69 0.33 0.00 5.12 -1.26 -4.75 116.66 116.60 1jfx n ARG 66 Ca 0.06 -3.56 0.16 0.00 -1.93 0.00 0.00 57.85 52.58 1jfx n ARG 66 Cb 0.46 -1.83 0.87 0.00 -1.16 0.00 0.00 32.46 30.80 1jfx n ARG 66 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1jfx h PRO 67 N 5.49 0.00 0.00 5.56 0.11 -1.92 -0.69 132.00 140.54 1jfx h PRO 67 Ca 0.23 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 1jfx h PRO 67 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1jfx h PRO 67 CO 0.47 0.00 -0.31 -2.95 -0.21 0.00 0.00 178.00 175.01 1jfx h ASN 68 N 0.00 0.00 1.41 -2.05 -1.07 -1.94 -3.36 115.58 108.57 1jfx h ASN 68 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 1jfx h ASN 68 Cb 0.54 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.77 1jfx h ASN 68 CO 0.00 0.31 -0.60 0.00 0.07 0.00 0.00 177.43 177.21 1jfx h ALA 69 N 1.69 0.69 -1.92 4.14 0.00 -1.49 -3.49 119.26 118.89 1jfx h ALA 69 Ca -0.00 -0.46 0.29 0.00 0.00 0.00 0.00 54.91 54.74 1jfx h ALA 69 Cb 1.12 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1jfx h ALA 69 CO 0.04 0.60 0.78 -1.54 0.00 0.00 0.00 179.25 179.12 1jfx s SER 70 N -6.31 -0.04 0.87 0.00 1.04 -1.25 -4.96 113.70 103.04 1jfx s SER 70 Ca 0.03 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.08 1jfx s SER 70 Cb 0.08 0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.56 1jfx s SER 70 CO 0.75 -0.47 1.10 -0.94 0.98 0.00 0.00 173.24 174.66 1jfx s SER 71 N -3.30 3.72 0.28 7.02 1.04 -1.26 -4.72 113.70 116.48 1jfx s SER 71 Ca 0.20 1.37 0.01 0.00 0.48 0.00 0.00 55.95 58.00 1jfx s SER 71 Cb 0.01 -2.06 0.40 0.00 0.10 0.00 0.00 66.02 64.48 1jfx s SER 71 CO -0.01 -2.46 1.75 1.23 0.98 0.00 0.00 173.24 174.73 1jfx h GLY 72 N -1.43 0.67 0.94 7.32 0.00 -1.91 -2.25 103.07 106.40 1jfx h GLY 72 Ca -0.49 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 1jfx h GLY 72 CO 0.57 0.45 0.09 -0.84 0.00 0.00 0.00 176.54 176.81 1jfx h THR 73 N 0.56 1.11 -0.60 4.70 2.02 -1.84 -1.66 112.91 117.20 1jfx h THR 73 Ca 0.10 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1jfx h THR 73 Cb 0.55 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1jfx h THR 73 CO 0.03 0.10 0.36 0.00 0.37 0.00 0.00 175.52 176.39 1jfx h ALA 74 N 0.98 0.77 0.00 6.16 0.00 -1.85 -2.02 119.26 123.30 1jfx h ALA 74 Ca 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1jfx h ALA 74 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jfx h ALA 74 CO -0.01 0.25 -0.52 1.96 0.00 0.00 0.00 179.25 180.93 1jfx h GLN 75 N 0.82 0.00 -0.48 0.00 4.20 -1.36 -1.80 115.11 116.48 1jfx h GLN 75 Ca 0.22 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 1jfx h GLN 75 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1jfx h GLN 75 CO -0.04 0.52 -0.12 0.00 -0.67 0.00 0.00 178.83 178.52 1jfx h ALA 76 N 1.48 0.66 -0.41 3.87 0.00 -0.95 -0.79 119.26 123.12 1jfx h ALA 76 Ca -0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1jfx h ALA 76 Cb 1.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jfx h ALA 76 CO 0.07 0.57 0.03 -0.44 0.00 0.00 0.00 179.25 179.47 1jfx h ASP 77 N 0.78 0.69 -0.27 0.00 3.32 -1.21 0.20 116.42 119.92 1jfx h ASP 77 Ca 0.12 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.91 1jfx h ASP 77 Cb 0.67 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1jfx h ASP 77 CO 0.05 0.81 0.09 0.22 -1.72 0.00 0.00 179.24 178.69 1jfx h TYR 78 N 0.55 0.15 -0.08 4.55 3.20 -1.18 -1.00 116.97 123.17 1jfx h TYR 78 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1jfx h TYR 78 Cb 0.44 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1jfx h TYR 78 CO 0.03 0.07 0.05 0.35 -1.64 0.00 0.00 178.16 177.02 1jfx h PHE 79 N 0.21 0.11 0.00 -3.82 3.57 -1.01 -2.09 116.94 113.91 1jfx h PHE 79 Ca 0.12 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1jfx h PHE 79 Cb 0.10 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1jfx h PHE 79 CO -0.14 0.11 -0.06 0.00 -2.23 0.00 0.00 178.31 175.99 1jfx h ALA 80 N 0.99 1.62 -0.00 2.41 0.00 -0.63 0.15 119.26 123.79 1jfx h ALA 80 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jfx h ALA 80 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jfx h ALA 80 CO -0.01 0.08 -0.46 0.43 0.00 0.00 0.00 179.25 179.29 1jfx n SER 81 N -4.06 0.75 -2.59 0.00 7.64 -0.41 -3.29 113.62 111.66 1jfx n SER 81 Ca -0.03 -0.54 -0.14 0.00 1.01 0.00 0.00 58.87 59.17 1jfx n SER 81 Cb 0.15 0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.65 1jfx n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jfx n ASN 82 N -1.19 2.58 0.00 6.43 3.02 -0.60 -4.93 115.26 120.58 1jfx n ASN 82 Ca 0.08 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1jfx n ASN 82 Cb 0.34 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1jfx n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jfx n GLY 83 N -0.29 1.47 0.36 7.41 0.00 -1.16 -4.62 105.19 108.36 1jfx n GLY 83 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1jfx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfx n GLY 84 N 0.00 -0.17 3.72 -0.02 0.00 0.41 -4.62 105.19 104.50 1jfx n GLY 84 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1jfx n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jfx s GLY 85 N -1.67 2.24 0.02 -0.02 0.00 -1.21 -4.58 107.32 102.10 1jfx s GLY 85 Ca 0.33 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.86 1jfx s GLY 85 CO 0.27 1.20 -0.05 0.86 0.00 0.00 0.00 173.10 175.38 1jfx s TRP 86 N -2.12 0.40 0.04 1.90 -0.00 -1.26 -4.93 118.94 112.98 1jfx s TRP 86 Ca 0.72 -0.32 -0.23 0.00 -0.00 0.00 0.00 56.10 56.28 1jfx s TRP 86 Cb -0.27 -0.25 0.05 0.00 -0.00 0.00 0.00 33.47 33.00 1jfx s TRP 86 CO 0.47 -0.08 0.53 -1.54 -0.00 0.00 0.00 176.95 176.33 1jfx s SER 87 N -0.92 -0.46 -0.26 5.86 1.04 -1.26 -4.96 113.70 112.74 1jfx s SER 87 Ca -0.07 0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.29 1jfx s SER 87 Cb -0.06 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1jfx s SER 87 CO -0.00 -0.71 1.26 -0.60 0.98 0.00 0.00 173.24 174.17 1jfx s ARG 88 N -2.31 4.03 0.00 4.02 3.52 -1.26 -4.64 118.95 122.30 1jfx s ARG 88 Ca -0.06 1.35 0.05 0.00 -0.13 0.00 0.00 55.73 56.94 1jfx s ARG 88 Cb -0.01 -3.82 0.08 0.00 -1.56 0.00 0.00 34.95 29.64 1jfx s ARG 88 CO -0.01 -0.97 0.87 -0.40 -0.81 0.00 0.00 175.30 173.99 1jfx n ASP 89 N 7.22 -0.07 0.00 -2.12 5.68 -1.26 -5.00 116.55 121.00 1jfx n ASP 89 Ca 0.14 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 1jfx n ASP 89 Cb 0.46 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1jfx n ASP 89 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jfx n ASN 90 N 0.09 0.00 -0.21 -1.12 3.02 -1.26 -4.71 115.26 111.07 1jfx n ASN 90 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1jfx n ASN 90 Cb 0.72 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1jfx n ASN 90 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jfx n ARG 91 N -2.00 0.15 -4.07 3.52 1.74 -1.26 -4.84 116.66 109.91 1jfx n ARG 91 Ca 0.00 -0.81 -0.32 0.00 -0.77 0.00 0.00 57.85 55.95 1jfx n ARG 91 Cb 0.00 -0.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.73 1jfx n ARG 91 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jfx s THR 92 N -0.13 1.84 0.48 0.55 2.01 -1.26 -0.93 115.64 118.21 1jfx s THR 92 Ca 0.01 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 1jfx s THR 92 Cb 0.01 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1jfx s THR 92 CO 0.00 0.44 0.81 -0.76 -0.69 0.00 0.00 174.62 174.42 1jfx s LEU 93 N 1.36 3.63 0.53 4.42 1.43 -0.24 -4.51 118.68 125.29 1jfx s LEU 93 Ca 0.03 1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 53.97 1jfx s LEU 93 Cb -0.14 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.03 1jfx s LEU 93 CO -0.11 -0.57 1.19 -2.16 0.23 0.00 0.00 176.35 174.93 1jfx s PRO 94 N -4.57 3.35 0.91 1.29 0.04 -1.26 -4.62 135.00 130.14 1jfx s PRO 94 Ca 0.49 1.81 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 1jfx s PRO 94 Cb -0.10 -2.15 0.14 0.00 0.04 0.00 0.00 34.50 32.43 1jfx s PRO 94 CO 0.43 -0.90 1.13 0.20 0.04 0.00 0.00 177.00 177.90 1jfx s GLY 95 N -1.47 1.68 -0.07 0.56 0.00 -1.26 -4.70 107.32 102.05 1jfx s GLY 95 Ca 0.71 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.95 1jfx s GLY 95 CO 0.34 0.90 -0.20 0.14 0.00 0.00 0.00 173.10 174.28 1jfx s VAL 96 N -2.69 2.50 -0.43 1.40 1.01 -0.58 -1.29 120.40 120.33 1jfx s VAL 96 Ca 0.66 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1jfx s VAL 96 Cb -0.22 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.24 1jfx s VAL 96 CO 0.58 0.57 0.33 -0.22 0.00 0.00 0.00 175.10 176.36 1jfx s LEU 97 N -0.25 5.27 -0.58 3.92 2.96 0.89 -0.90 118.68 129.99 1jfx s LEU 97 Ca -0.00 -1.04 -0.20 0.00 -0.22 0.00 0.00 54.13 52.68 1jfx s LEU 97 Cb -0.13 -2.17 0.09 0.00 0.50 0.00 0.00 46.19 44.47 1jfx s LEU 97 CO 0.03 -0.52 0.73 -0.62 -1.32 0.00 0.00 176.35 174.65 1jfx s ASP 98 N 1.99 6.19 -0.22 3.68 -1.08 0.35 -0.92 116.67 126.67 1jfx s ASP 98 Ca 0.05 -1.23 0.01 0.00 -0.52 0.00 0.00 52.55 50.86 1jfx s ASP 98 Cb -0.21 -2.32 0.05 0.00 -1.46 0.00 0.00 42.92 38.98 1jfx s ASP 98 CO 0.09 -1.12 -0.11 -0.51 0.52 0.00 0.00 175.17 174.04 1jfx s ILE 99 N 2.91 1.84 0.26 4.11 2.07 -0.63 -0.88 121.20 130.88 1jfx s ILE 99 Ca 0.14 -1.19 -0.04 0.00 -1.41 0.00 0.00 60.65 58.16 1jfx s ILE 99 Cb -0.22 -1.90 0.02 0.00 0.13 0.00 0.00 42.46 40.49 1jfx s ILE 99 CO 0.08 0.15 0.41 -1.84 -1.91 0.00 0.00 174.94 171.83 1jfx n GLU 100 N 4.60 0.59 -1.61 3.50 0.28 -1.26 -4.35 120.64 122.39 1jfx n GLU 100 Ca -0.15 -1.88 -0.59 0.00 -0.16 0.00 0.00 57.16 54.37 1jfx n GLU 100 Cb 0.46 1.94 -0.08 0.00 1.43 0.00 0.00 31.44 35.18 1jfx n GLU 100 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1jfx n HIS 101 N -0.40 1.34 -1.69 -1.84 8.25 -1.26 -4.82 115.22 114.79 1jfx n HIS 101 Ca -0.01 0.89 -0.44 0.00 -0.26 0.00 0.00 57.72 57.90 1jfx n HIS 101 Cb 0.42 -2.24 -0.03 0.00 1.12 0.00 0.00 29.99 29.25 1jfx n HIS 101 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jfx n ASN 102 N 2.96 3.76 0.02 0.41 2.85 -1.13 -4.87 115.26 119.25 1jfx n ASN 102 Ca 0.23 1.03 0.13 0.00 -0.11 0.00 0.00 54.58 55.87 1jfx n ASN 102 Cb 0.08 -1.51 0.51 0.00 1.24 0.00 0.00 39.78 40.10 1jfx n ASN 102 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1jfx n PRO 103 N 4.70 0.06 -3.03 1.20 -0.04 -1.26 -4.39 135.00 132.24 1jfx n PRO 103 Ca 0.18 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.52 1jfx n PRO 103 Cb 0.34 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1jfx n PRO 103 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jfx n SER 104 N -1.65 -0.50 0.00 3.54 3.41 -1.26 -5.12 113.62 112.04 1jfx n SER 104 Ca 0.06 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1jfx n SER 104 Cb 0.36 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1jfx n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfx n GLY 105 N 0.67 -0.22 3.60 5.00 0.00 -1.26 -5.10 105.19 107.88 1jfx n GLY 105 Ca 0.18 -1.57 -0.47 0.00 0.00 0.00 0.00 46.02 44.16 1jfx n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfx n ALA 106 N -0.50 -0.30 0.07 4.61 0.00 -1.26 -4.70 120.51 118.43 1jfx n ALA 106 Ca 0.00 0.43 0.13 0.00 0.00 0.00 0.00 53.44 54.00 1jfx n ALA 106 Cb 0.00 -2.06 0.61 0.00 0.00 0.00 0.00 19.45 18.00 1jfx n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jfx h MET 107 N 3.02 0.13 -0.63 0.00 -0.00 -1.97 -0.18 114.93 115.31 1jfx h MET 107 Ca -0.42 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.23 1jfx h MET 107 Cb 1.33 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 32.87 1jfx h MET 107 CO 0.68 0.09 0.06 0.00 -0.00 0.00 0.00 176.91 177.73 1jfx n TYR 109 N 0.46 -0.29 -0.99 0.00 4.01 -0.08 -2.03 117.16 118.24 1jfx n TYR 109 Ca 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1jfx n TYR 109 Cb 1.22 -3.57 0.00 0.00 -0.31 0.00 0.00 39.34 36.68 1jfx n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jfx n GLY 110 N -0.55 0.52 3.81 2.72 0.00 -1.26 -4.21 105.19 106.23 1jfx n GLY 110 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1jfx n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jfx s LEU 111 N 0.00 4.08 1.02 0.99 1.43 -0.86 -5.10 118.68 120.24 1jfx s LEU 111 Ca 0.00 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 1jfx s LEU 111 Cb 0.00 -2.09 0.20 0.00 0.03 0.00 0.00 46.19 44.33 1jfx s LEU 111 CO 0.00 0.36 1.09 -0.94 0.23 0.00 0.00 176.35 177.10 1jfx s SER 112 N -1.20 2.45 0.29 2.29 1.04 -1.26 -4.73 113.70 112.58 1jfx s SER 112 Ca 0.17 1.13 -0.02 0.00 0.48 0.00 0.00 55.95 57.71 1jfx s SER 112 Cb -0.12 -1.77 0.41 0.00 0.10 0.00 0.00 66.02 64.64 1jfx s SER 112 CO 0.07 -3.23 1.87 0.71 0.98 0.00 0.00 173.24 173.64 1jfx h THR 113 N -1.96 1.22 -0.49 2.02 1.35 -1.93 -0.26 112.91 112.86 1jfx h THR 113 Ca -0.55 -0.67 -0.10 0.00 -0.55 0.00 0.00 66.41 64.54 1jfx h THR 113 Cb 1.33 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 1jfx h THR 113 CO 0.57 0.27 -0.10 0.74 -0.25 0.00 0.00 175.52 176.75 1jfx h THR 114 N 0.91 1.27 -0.22 6.82 2.02 -1.90 -1.12 112.91 120.70 1jfx h THR 114 Ca 0.22 -1.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.08 1jfx h THR 114 Cb 0.15 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1jfx h THR 114 CO -0.02 0.43 -0.24 1.56 0.37 0.00 0.00 175.52 177.62 1jfx h GLN 115 N 0.78 0.40 -0.24 6.66 4.20 -1.79 -1.89 115.11 123.23 1jfx h GLN 115 Ca 0.13 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 1jfx h GLN 115 Cb 0.65 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1jfx h GLN 115 CO 0.05 0.61 -0.54 1.98 -0.67 0.00 0.00 178.83 180.26 1jfx h MET 116 N 0.36 0.72 -0.48 1.46 4.05 -0.81 -0.07 114.93 120.16 1jfx h MET 116 Ca 0.06 -0.45 -0.00 0.00 -0.28 0.00 0.00 59.70 59.02 1jfx h MET 116 Cb 0.62 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 1jfx h MET 116 CO 0.04 1.08 0.29 0.00 0.23 0.00 0.00 176.91 178.55 1jfx h ARG 117 N 0.55 0.65 -0.61 0.39 3.08 -0.95 -1.25 114.38 116.25 1jfx h ARG 117 Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1jfx h ARG 117 Cb 1.12 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1jfx h ARG 117 CO 0.11 0.48 0.36 1.15 -1.07 0.00 0.00 179.97 181.00 1jfx h THR 118 N 0.63 1.18 -0.33 2.04 2.02 -1.12 -0.19 112.91 117.15 1jfx h THR 118 Ca 0.17 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1jfx h THR 118 Cb -0.00 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1jfx h THR 118 CO -0.03 0.19 0.17 -0.25 0.37 0.00 0.00 175.52 175.97 1jfx h TRP 119 N 0.82 0.32 -0.53 3.16 7.01 -0.57 0.15 115.95 126.31 1jfx h TRP 119 Ca 0.22 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.14 1jfx h TRP 119 Cb -0.01 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1jfx h TRP 119 CO -0.02 0.17 -0.03 0.82 -2.79 0.00 0.00 178.44 176.60 1jfx h ILE 120 N 0.35 1.27 -0.80 2.65 2.04 -1.03 -0.91 117.51 121.08 1jfx h ILE 120 Ca 0.14 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1jfx h ILE 120 Cb 0.04 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1jfx h ILE 120 CO -0.09 0.40 0.33 -1.13 0.00 0.00 0.00 178.15 177.67 1jfx h ASN 121 N 0.82 1.10 -0.48 1.72 -1.24 -0.62 -0.52 115.58 116.35 1jfx h ASN 121 Ca 0.15 -0.16 -0.08 0.00 0.71 0.00 0.00 56.30 56.91 1jfx h ASN 121 Cb 0.57 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1jfx h ASN 121 CO 0.03 0.96 -0.01 0.44 -1.29 0.00 0.00 177.43 177.57 1jfx h ASP 122 N 1.17 0.84 -0.43 1.15 3.32 -0.46 0.46 116.42 122.46 1jfx h ASP 122 Ca 0.27 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1jfx h ASP 122 Cb 0.20 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1jfx h ASP 122 CO -0.02 0.95 0.18 0.15 -1.72 0.00 0.00 179.24 178.77 1jfx h PHE 123 N 0.71 0.65 -0.36 4.55 3.04 -0.86 -1.13 116.94 123.55 1jfx h PHE 123 Ca 0.14 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1jfx h PHE 123 Cb 0.52 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1jfx h PHE 123 CO 0.04 0.56 0.20 1.25 -2.02 0.00 0.00 178.31 178.34 1jfx h HIS 124 N 0.55 0.51 -0.52 0.41 2.76 -0.89 0.00 115.15 117.97 1jfx h HIS 124 Ca 0.14 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1jfx h HIS 124 Cb 0.18 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1jfx h HIS 124 CO -0.00 0.40 0.31 0.00 -1.30 0.00 0.00 177.93 177.34 1jfx h ALA 125 N 1.06 0.66 -0.19 5.26 0.00 -0.70 -1.07 119.26 124.28 1jfx h ALA 125 Ca 0.13 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1jfx h ALA 125 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jfx h ALA 125 CO -0.02 0.15 -0.66 -0.09 0.00 0.00 0.00 179.25 178.64 1jfx h ARG 126 N 0.70 0.71 -0.64 0.00 9.65 -1.07 -1.26 114.38 122.46 1jfx h ARG 126 Ca 0.19 -0.51 -0.05 0.00 -1.10 0.00 0.00 59.98 58.50 1jfx h ARG 126 Cb 0.00 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 1jfx h ARG 126 CO -0.03 1.13 0.19 -0.92 2.80 0.00 0.00 179.97 183.14 1jfx h TYR 127 N 0.51 1.01 -0.44 2.20 3.20 -0.83 -0.25 116.97 122.38 1jfx h TYR 127 Ca -0.02 -0.09 -0.15 0.00 3.14 0.00 0.00 58.73 61.61 1jfx h TYR 127 Cb 1.26 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1jfx h TYR 127 CO 0.07 0.81 -0.30 -0.22 -1.64 0.00 0.00 178.16 176.88 1jfx h LYS 128 N 0.94 0.97 -0.80 1.82 3.64 -1.08 -0.31 116.57 121.75 1jfx h LYS 128 Ca 0.21 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1jfx h LYS 128 Cb 0.29 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1jfx h LYS 128 CO -0.01 1.13 0.41 0.00 -2.27 0.00 0.00 179.45 178.72 1jfx h ALA 129 N 0.82 1.21 -0.16 5.00 0.00 -0.82 0.42 119.26 125.74 1jfx h ALA 129 Ca 0.09 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1jfx h ALA 129 Cb 0.89 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jfx h ALA 129 CO 0.08 0.62 -0.75 0.00 0.00 0.00 0.00 179.25 179.20 1jfx h ARG 130 N 1.13 0.78 0.00 0.00 2.47 -0.76 -3.40 114.38 114.60 1jfx h ARG 130 Ca 0.28 -0.62 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 1jfx h ARG 130 Cb 0.07 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1jfx h ARG 130 CO -0.04 1.23 -0.21 0.25 0.56 0.00 0.00 179.97 181.76 1jfx n THR 131 N -3.94 0.00 -0.53 2.04 -2.24 -0.15 -4.94 114.28 104.52 1jfx n THR 131 Ca -0.07 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1jfx n THR 131 Cb 0.73 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1jfx n THR 131 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jfx n THR 132 N -1.11 0.00 -3.95 4.28 -2.24 0.15 -4.80 114.28 106.61 1jfx n THR 132 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1jfx n THR 132 Cb 0.04 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 1jfx n THR 132 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jfx s ARG 133 N -0.06 3.34 -0.23 -0.78 1.81 -1.26 -4.96 118.95 116.81 1jfx s ARG 133 Ca 0.00 -0.50 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 1jfx s ARG 133 Cb 0.00 -2.97 0.01 0.00 -0.45 0.00 0.00 34.95 31.54 1jfx s ARG 133 CO 0.00 0.59 1.03 -0.51 -0.68 0.00 0.00 175.30 175.73 1jfx s ASP 134 N -2.56 7.09 0.38 0.23 1.01 -1.26 -3.60 116.67 117.96 1jfx s ASP 134 Ca 0.34 1.37 -0.27 0.00 0.71 0.00 0.00 52.55 54.69 1jfx s ASP 134 Cb -0.13 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.17 1jfx s ASP 134 CO 0.27 -0.66 1.36 0.54 0.21 0.00 0.00 175.17 176.89 1jfx s VAL 135 N 3.17 2.46 0.02 -1.27 0.11 -1.26 -4.73 120.40 118.90 1jfx s VAL 135 Ca 0.44 0.44 -0.24 0.00 -2.93 0.00 0.00 61.98 59.68 1jfx s VAL 135 Cb -0.15 -3.27 -0.05 0.00 -1.53 0.00 0.00 36.38 31.38 1jfx s VAL 135 CO 0.06 0.09 0.74 -0.69 -3.33 0.00 0.00 175.10 171.97 1jfx s VAL 136 N -1.18 4.80 -0.29 2.04 1.01 -0.41 -3.90 120.40 122.47 1jfx s VAL 136 Ca 0.54 1.57 -0.12 0.00 0.00 0.00 0.00 61.98 63.97 1jfx s VAL 136 Cb -0.41 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1jfx s VAL 136 CO 0.54 0.35 0.21 -0.63 0.00 0.00 0.00 175.10 175.57 1jfx s ILE 137 N 0.10 5.30 -0.21 2.22 1.01 -0.35 -0.08 121.20 129.20 1jfx s ILE 137 Ca 0.38 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 1jfx s ILE 137 Cb -0.20 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1jfx s ILE 137 CO 0.22 0.20 0.08 -0.47 0.00 0.00 0.00 174.94 174.96 1jfx s TYR 138 N 1.77 3.21 0.17 3.97 6.14 -0.10 -0.10 117.35 132.40 1jfx s TYR 138 Ca 0.07 -0.03 -0.23 0.00 0.64 0.00 0.00 57.07 57.52 1jfx s TYR 138 Cb -0.16 -2.15 0.08 0.00 0.42 0.00 0.00 41.96 40.15 1jfx s TYR 138 CO 0.11 0.01 1.06 -0.08 0.64 0.00 0.00 175.55 177.29 1jfx s THR 139 N 0.79 0.00 0.21 4.34 -1.32 -0.99 -1.60 115.64 117.08 1jfx s THR 139 Ca 0.04 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 60.03 1jfx s THR 139 Cb -0.13 -2.91 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 1jfx s THR 139 CO 0.02 0.00 0.20 0.42 -2.21 0.00 0.00 174.62 173.05 1jfx s THR 140 N -2.14 4.62 0.20 5.08 -4.23 -1.26 -1.63 115.64 116.28 1jfx s THR 140 Ca 0.23 -1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.46 1jfx s THR 140 Cb -0.02 -3.43 0.14 0.00 1.34 0.00 0.00 72.50 70.52 1jfx s THR 140 CO 0.05 -0.23 1.83 0.00 -0.54 0.00 0.00 174.62 175.72 1jfx h ALA 141 N 1.87 0.94 -0.21 3.99 0.00 -1.86 -1.44 119.26 122.55 1jfx h ALA 141 Ca -0.49 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1jfx h ALA 141 Cb 1.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1jfx h ALA 141 CO 0.62 0.44 0.02 0.77 0.00 0.00 0.00 179.25 181.10 1jfx h SER 142 N 1.01 -0.04 -0.24 0.00 0.02 -1.95 -0.04 113.55 112.31 1jfx h SER 142 Ca 0.26 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1jfx h SER 142 Cb 0.02 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1jfx h SER 142 CO -0.04 0.01 0.03 -0.25 -1.14 0.00 0.00 176.83 175.43 1jfx h TRP 143 N 0.09 0.43 -0.02 3.45 7.01 -1.93 -0.68 115.95 124.30 1jfx h TRP 143 Ca 0.10 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.06 1jfx h TRP 143 Cb 0.11 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 1jfx h TRP 143 CO -0.16 0.54 -0.12 2.35 -2.79 0.00 0.00 178.44 178.25 1jfx h TRP 144 N 0.19 -0.31 -0.42 2.65 2.91 -0.99 0.12 115.95 120.10 1jfx h TRP 144 Ca 0.07 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 1jfx h TRP 144 Cb 0.35 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 1jfx h TRP 144 CO 0.03 -0.19 0.13 -0.91 -1.03 0.00 0.00 178.44 176.47 1jfx h ASN 145 N -0.20 0.62 0.29 2.65 2.35 -0.97 -1.28 115.58 119.04 1jfx h ASN 145 Ca 0.05 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1jfx h ASN 145 Cb 0.27 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1jfx h ASN 145 CO -0.14 0.66 -0.14 0.74 -1.65 0.00 0.00 177.43 176.90 1jfx h THR 146 N 0.54 0.73 0.00 2.81 2.02 -0.95 -1.13 112.91 116.93 1jfx h THR 146 Ca 0.14 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1jfx h THR 146 Cb 0.26 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1jfx h THR 146 CO -0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 1jfx n THR 148 N -2.98 0.00 -3.03 0.00 -2.24 -0.48 -4.34 114.28 101.21 1jfx n THR 148 Ca 0.04 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 1jfx n THR 148 Cb 0.50 1.19 0.05 0.00 -2.10 0.00 0.00 70.33 69.97 1jfx n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jfx n GLY 149 N 0.85 -0.04 3.77 3.38 0.00 -0.52 -3.48 105.19 109.15 1jfx n GLY 149 Ca 0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1jfx n GLY 149 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfx n SER 150 N -1.94 -1.05 -4.72 1.61 7.64 -0.63 -4.91 113.62 109.62 1jfx n SER 150 Ca -0.11 -0.88 -0.42 0.00 1.01 0.00 0.00 58.87 58.48 1jfx n SER 150 Cb 0.58 -3.75 -0.03 0.00 -1.01 0.00 0.00 64.21 60.00 1jfx n SER 150 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1jfx s TRP 151 N -3.75 3.44 -2.82 1.43 -0.00 -1.23 -4.73 118.94 111.28 1jfx s TRP 151 Ca 0.02 1.34 0.25 0.00 -0.00 0.00 0.00 56.10 57.71 1jfx s TRP 151 Cb -0.01 -3.43 0.40 0.00 -0.00 0.00 0.00 33.47 30.44 1jfx s TRP 151 CO 0.84 -1.26 1.38 -1.71 -0.00 0.00 0.00 176.95 176.19 1jfx n ASN 152 N 3.37 2.73 0.21 5.86 5.15 -1.26 -4.36 115.26 126.95 1jfx n ASN 152 Ca 0.07 -1.89 0.14 0.00 -0.60 0.00 0.00 54.58 52.30 1jfx n ASN 152 Cb 0.46 -0.04 0.73 0.00 -0.53 0.00 0.00 39.78 40.40 1jfx n ASN 152 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1jfx h GLY 153 N 4.73 0.00 -1.51 8.20 0.00 -1.92 -2.10 103.07 110.47 1jfx h GLY 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jfx h GLY 153 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.57 1jfx n MET 154 N -2.48 1.92 -0.35 4.80 2.81 -1.26 -4.63 117.12 117.93 1jfx n MET 154 Ca -0.01 -1.82 0.08 0.00 -1.81 0.00 0.00 57.70 54.14 1jfx n MET 154 Cb 0.07 -1.34 0.26 0.00 -0.71 0.00 0.00 33.22 31.50 1jfx n MET 154 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jfx h ALA 155 N 2.99 1.53 -0.33 3.04 0.00 -1.39 -1.06 119.26 124.03 1jfx h ALA 155 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jfx h ALA 155 Cb 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jfx h ALA 155 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1jfx n ALA 156 N -2.35 2.43 -0.06 0.00 0.00 -1.26 -4.52 120.51 114.75 1jfx n ALA 156 Ca 0.20 -0.94 -0.07 0.00 0.00 0.00 0.00 53.44 52.63 1jfx n ALA 156 Cb 0.41 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 1jfx n ALA 156 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jfx n LYS 157 N 1.46 1.38 -4.44 0.00 5.02 -0.51 -5.04 118.16 116.03 1jfx n LYS 157 Ca 0.19 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.29 1jfx n LYS 157 Cb 0.60 -1.26 -0.16 0.00 -0.02 0.00 0.00 35.03 34.20 1jfx n LYS 157 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1jfx s SER 158 N -4.72 1.39 0.62 4.39 0.01 -0.55 -4.54 113.70 110.30 1jfx s SER 158 Ca -0.11 -0.22 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 1jfx s SER 158 Cb 0.04 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.72 1jfx s SER 158 CO 0.36 0.03 1.19 -2.84 0.41 0.00 0.00 173.24 172.39 1jfx s PRO 159 N 0.49 2.81 -0.21 12.44 0.02 -1.25 -4.77 135.00 144.53 1jfx s PRO 159 Ca -0.09 1.75 -0.06 0.00 0.02 0.00 0.00 61.00 62.62 1jfx s PRO 159 Cb -0.12 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 1jfx s PRO 159 CO 0.02 -1.31 0.04 0.12 -0.33 0.00 0.00 177.00 175.53 1jfx s PHE 160 N -1.77 3.11 -0.39 6.54 5.36 -1.26 -1.20 117.98 128.37 1jfx s PHE 160 Ca 0.75 -0.28 -0.05 0.00 -0.96 0.00 0.00 56.93 56.40 1jfx s PHE 160 Cb -0.29 -2.13 0.09 0.00 -0.34 0.00 0.00 43.02 40.35 1jfx s PHE 160 CO 0.36 -0.15 0.18 -0.46 -1.46 0.00 0.00 175.22 173.68 1jfx s TRP 161 N 0.99 3.43 -0.09 10.12 -0.00 0.85 -0.10 118.94 134.15 1jfx s TRP 161 Ca 0.03 -1.99 -0.17 0.00 -0.00 0.00 0.00 56.10 53.97 1jfx s TRP 161 Cb -0.14 -2.89 -0.05 0.00 -0.00 0.00 0.00 33.47 30.39 1jfx s TRP 161 CO 0.02 -0.89 0.44 0.54 -0.00 0.00 0.00 176.95 177.06 1jfx s VAL 162 N 1.26 5.14 -0.35 5.86 0.11 -0.36 -2.35 120.40 129.72 1jfx s VAL 162 Ca 0.03 0.89 -0.14 0.00 -2.93 0.00 0.00 61.98 59.84 1jfx s VAL 162 Cb -0.22 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 30.85 1jfx s VAL 162 CO -0.01 0.41 0.28 0.00 -3.33 0.00 0.00 175.10 172.44 1jfx s ALA 163 N 0.11 3.50 -0.34 1.54 0.00 -0.65 -0.37 121.76 125.55 1jfx s ALA 163 Ca 0.24 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1jfx s ALA 163 Cb -0.15 -2.74 0.17 0.00 0.00 0.00 0.00 23.12 20.39 1jfx s ALA 163 CO 0.11 -1.08 0.49 -1.58 0.00 0.00 0.00 175.76 173.70 1jfx s HIS 164 N 1.78 -1.20 0.40 0.00 5.04 -0.44 -4.57 115.29 116.31 1jfx s HIS 164 Ca 0.07 0.18 -0.19 0.00 -1.54 0.00 0.00 55.06 53.58 1jfx s HIS 164 Cb -0.17 0.00 -0.10 0.00 0.04 0.00 0.00 32.58 32.34 1jfx s HIS 164 CO 0.11 -1.05 0.89 -1.58 -2.34 0.00 0.00 174.74 170.76 1jfx s TRP 165 N 2.15 3.33 -1.28 3.88 0.51 -1.25 -4.31 118.94 121.98 1jfx s TRP 165 Ca 0.13 1.49 0.00 0.00 -2.12 0.00 0.00 56.10 55.61 1jfx s TRP 165 Cb -0.10 -2.76 0.00 0.00 -0.81 0.00 0.00 33.47 29.80 1jfx s TRP 165 CO -0.17 -0.06 0.00 0.41 -0.51 0.00 0.00 176.95 176.62 1jfx n GLY 166 N -0.59 1.28 3.50 0.98 0.00 -0.70 -4.99 105.19 104.67 1jfx n GLY 166 Ca 0.06 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1jfx n GLY 166 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jfx s VAL 167 N -2.36 2.69 0.15 1.61 -7.23 -1.26 -5.04 120.40 108.96 1jfx s VAL 167 Ca 0.00 -2.23 0.21 0.00 -1.81 0.00 0.00 61.98 58.16 1jfx s VAL 167 Cb 0.00 -2.40 0.19 0.00 0.56 0.00 0.00 36.38 34.73 1jfx s VAL 167 CO 0.00 -0.34 1.78 0.77 -0.31 0.00 0.00 175.10 177.00 1jfx h SER 168 N 2.35 0.00 -4.47 4.85 4.64 -1.95 -3.43 113.55 115.54 1jfx h SER 168 Ca -0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1jfx h SER 168 Cb 1.25 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.13 1jfx h SER 168 CO 0.58 0.29 -0.02 0.00 -0.87 0.00 0.00 176.83 176.81 1jfx s ALA 169 N -3.64 -1.38 0.37 5.18 0.00 -1.26 -4.78 121.76 116.25 1jfx s ALA 169 Ca 0.00 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 1jfx s ALA 169 Cb 0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.68 1jfx s ALA 169 CO 0.66 -0.30 0.91 -1.25 0.00 0.00 0.00 175.76 175.78 1jfx s PRO 170 N -0.48 4.32 -0.10 0.00 0.04 -1.26 -5.03 135.00 132.49 1jfx s PRO 170 Ca -0.06 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 61.84 1jfx s PRO 170 Cb -0.03 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1jfx s PRO 170 CO 0.04 0.12 0.81 0.99 0.04 0.00 0.00 177.00 179.01 1jfx s THR 171 N -1.92 4.94 -0.16 1.26 2.01 -1.26 -5.04 115.64 115.47 1jfx s THR 171 Ca 0.56 1.65 -0.03 0.00 0.31 0.00 0.00 61.69 64.18 1jfx s THR 171 Cb -0.13 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1jfx s THR 171 CO 0.18 0.14 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.50 1jfx s VAL 172 N 1.41 3.70 0.66 3.82 1.01 -1.26 -4.77 120.40 124.97 1jfx s VAL 172 Ca 0.41 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1jfx s VAL 172 Cb -0.18 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1jfx s VAL 172 CO 0.18 0.49 1.24 -2.84 0.00 0.00 0.00 175.10 174.17 1jfx s PRO 173 N 0.50 2.56 0.63 2.72 0.02 -1.26 -4.88 135.00 135.28 1jfx s PRO 173 Ca -0.04 1.90 0.37 0.00 0.02 0.00 0.00 61.00 63.24 1jfx s PRO 173 Cb -0.15 -1.87 2.11 0.00 0.02 0.00 0.00 34.50 34.62 1jfx s PRO 173 CO 0.03 -1.55 2.31 0.66 -0.33 0.00 0.00 177.00 178.12 1jfx h SER 174 N 0.39 0.00 0.17 2.53 4.64 -1.95 -2.52 113.55 116.82 1jfx h SER 174 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1jfx h SER 174 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1jfx h SER 174 CO 0.53 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1jfx n GLY 175 N -1.21 -0.70 3.15 -0.77 0.00 -1.26 -4.66 105.19 99.74 1jfx n GLY 175 Ca -0.03 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1jfx n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfx s PHE 176 N -2.32 1.61 0.14 1.61 0.08 -0.95 -3.41 117.98 114.74 1jfx s PHE 176 Ca 0.20 -0.36 0.28 0.00 0.12 0.00 0.00 56.93 57.16 1jfx s PHE 176 Cb 0.11 -1.06 1.12 0.00 -0.57 0.00 0.00 43.02 42.63 1jfx s PHE 176 CO 0.23 -0.08 1.90 -1.00 -0.10 0.00 0.00 175.22 176.17 1jfx h PRO 177 N 5.91 0.00 -2.01 0.24 0.13 -1.83 -3.45 132.00 130.99 1jfx h PRO 177 Ca -0.35 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.14 1jfx h PRO 177 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 1jfx h PRO 177 CO 0.48 0.13 0.92 -0.08 -0.23 0.00 0.00 178.00 179.23 1jfx s THR 178 N -3.70 0.00 0.06 1.56 -1.32 -1.26 -5.16 115.64 105.83 1jfx s THR 178 Ca 0.01 -0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1jfx s THR 178 Cb 0.10 -2.86 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 1jfx s THR 178 CO 0.60 0.00 0.05 -1.66 -2.21 0.00 0.00 174.62 171.39 1jfx s TRP 179 N -2.05 3.13 -0.23 9.09 1.48 -1.26 -4.54 118.94 124.56 1jfx s TRP 179 Ca 0.28 0.06 -0.05 0.00 -1.06 0.00 0.00 56.10 55.34 1jfx s TRP 179 Cb 0.00 -1.62 -0.12 0.00 -1.16 0.00 0.00 33.47 30.57 1jfx s TRP 179 CO -0.02 0.50 -0.25 2.41 -4.06 0.00 0.00 176.95 175.54 1jfx n THR 180 N 0.71 1.28 -4.30 0.66 -1.04 0.86 -4.64 114.28 107.80 1jfx n THR 180 Ca -0.11 -0.41 -0.22 0.00 -2.04 0.00 0.00 64.05 61.27 1jfx n THR 180 Cb 0.52 -1.55 -0.12 0.00 -1.82 0.00 0.00 70.33 67.37 1jfx n THR 180 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1jfx s PHE 181 N -2.44 1.77 -0.08 -1.42 0.08 -0.94 -0.63 117.98 114.32 1jfx s PHE 181 Ca -0.31 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.25 1jfx s PHE 181 Cb 0.10 -0.92 0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1jfx s PHE 181 CO 0.46 0.26 0.12 -0.46 -0.10 0.00 0.00 175.22 175.50 1jfx s TRP 182 N -1.66 -0.05 -0.46 0.36 -0.00 -0.27 -1.22 118.94 115.64 1jfx s TRP 182 Ca 0.11 0.35 -0.23 0.00 -0.00 0.00 0.00 56.10 56.33 1jfx s TRP 182 Cb -0.08 -0.40 0.03 0.00 -0.00 0.00 0.00 33.47 33.02 1jfx s TRP 182 CO 0.05 -0.28 0.79 -1.14 -0.00 0.00 0.00 176.95 176.37 1jfx s GLN 183 N 2.23 3.38 0.00 5.86 0.74 0.50 -1.07 119.66 131.30 1jfx s GLN 183 Ca 0.04 -0.16 0.17 0.00 0.05 0.00 0.00 55.36 55.46 1jfx s GLN 183 Cb -0.13 -3.96 0.00 0.00 1.10 0.00 0.00 33.01 30.03 1jfx s GLN 183 CO -0.05 -1.16 0.91 2.48 -0.55 0.00 0.00 175.29 176.91 1jfx n TYR 184 N 6.77 0.00 -3.60 1.67 0.18 -0.66 -1.32 117.16 120.21 1jfx n TYR 184 Ca 0.02 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.64 1jfx n TYR 184 Cb 0.48 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.37 1jfx n TYR 184 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1jfx s SER 185 N -1.98 -0.60 0.00 9.48 0.15 -1.22 -1.71 113.70 117.80 1jfx s SER 185 Ca 0.15 0.85 0.04 0.00 0.70 0.00 0.00 55.95 57.68 1jfx s SER 185 Cb 0.14 0.80 0.06 0.00 -1.71 0.00 0.00 66.02 65.31 1jfx s SER 185 CO 0.43 -0.44 0.83 0.00 1.20 0.00 0.00 173.24 175.25 1jfx n ALA 186 N 1.64 2.29 -2.03 5.45 0.00 -1.26 -0.95 120.51 125.65 1jfx n ALA 186 Ca -0.17 -0.77 -0.02 0.00 0.00 0.00 0.00 53.44 52.48 1jfx n ALA 186 Cb 0.56 -0.13 0.11 0.00 0.00 0.00 0.00 19.45 19.99 1jfx n ALA 186 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jfx n THR 187 N 0.03 1.71 -1.86 0.00 -2.24 -1.23 -3.91 114.28 106.78 1jfx n THR 187 Ca 0.03 -2.96 -0.21 0.00 -2.27 0.00 0.00 64.05 58.64 1jfx n THR 187 Cb 0.19 -0.01 0.14 0.00 -2.10 0.00 0.00 70.33 68.55 1jfx n THR 187 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jfx n GLY 188 N -0.62 -1.00 3.01 3.38 0.00 -0.16 -4.69 105.19 105.11 1jfx n GLY 188 Ca 0.21 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.27 1jfx n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfx s ARG 189 N -5.04 0.82 -0.14 1.61 1.81 -1.26 -2.05 118.95 114.70 1jfx s ARG 189 Ca 0.55 -0.31 -0.10 0.00 -1.72 0.00 0.00 55.73 54.15 1jfx s ARG 189 Cb -0.02 -0.78 0.04 0.00 -0.45 0.00 0.00 34.95 33.74 1jfx s ARG 189 CO 0.39 0.16 0.35 0.54 -0.68 0.00 0.00 175.30 176.06 1jfx s VAL 190 N -0.05 -0.01 0.32 3.52 0.11 -1.26 -5.02 120.40 118.00 1jfx s VAL 190 Ca 0.01 0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 1jfx s VAL 190 Cb -0.06 -0.51 -0.13 0.00 -1.53 0.00 0.00 36.38 34.16 1jfx s VAL 190 CO -0.00 0.02 1.29 0.61 -3.33 0.00 0.00 175.10 173.69 1jfx n GLY 191 N 3.50 0.56 0.85 6.54 0.00 -1.26 -1.87 105.19 113.51 1jfx n GLY 191 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1jfx n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfx n GLY 192 N 1.10 2.43 3.24 -0.02 0.00 -1.26 -2.72 105.19 107.96 1jfx n GLY 192 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1jfx n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfx s VAL 193 N -2.43 2.29 -0.19 1.61 1.01 -0.78 -1.21 120.40 120.70 1jfx s VAL 193 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1jfx s VAL 193 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1jfx s VAL 193 CO 0.00 0.55 0.53 -0.44 0.00 0.00 0.00 175.10 175.74 1jfx s SER 194 N 0.51 6.60 0.00 3.32 0.01 -1.26 -4.53 113.70 118.35 1jfx s SER 194 Ca -0.13 0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1jfx s SER 194 Cb -0.17 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1jfx s SER 194 CO 0.05 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1jfx n GLY 195 N 3.79 -1.82 3.74 3.44 0.00 -1.26 -4.93 105.19 108.15 1jfx n GLY 195 Ca -0.04 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1jfx n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jfx s ASP 196 N -4.00 6.40 0.03 1.61 1.01 -1.26 -4.71 116.67 115.75 1jfx s ASP 196 Ca 0.00 2.89 0.04 0.00 0.71 0.00 0.00 52.55 56.19 1jfx s ASP 196 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1jfx s ASP 196 CO 0.00 -0.92 -0.12 0.54 0.21 0.00 0.00 175.17 174.89 1jfx s VAL 197 N 0.45 0.90 0.03 -1.27 0.11 -0.87 -4.87 120.40 114.87 1jfx s VAL 197 Ca 0.67 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 1jfx s VAL 197 Cb -0.48 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1jfx s VAL 197 CO 0.41 -0.02 1.11 -1.81 -3.33 0.00 0.00 175.10 171.46 1jfx s ASP 198 N -0.98 7.20 -0.06 3.54 1.01 -1.25 -0.99 116.67 125.13 1jfx s ASP 198 Ca -0.00 1.85 0.02 0.00 0.71 0.00 0.00 52.55 55.13 1jfx s ASP 198 Cb -0.07 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1jfx s ASP 198 CO 0.01 -0.39 -0.12 -0.13 0.21 0.00 0.00 175.17 174.75 1jfx s ARG 199 N 1.14 2.66 0.10 8.23 0.52 -0.13 -2.64 118.95 128.84 1jfx s ARG 199 Ca 0.56 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 55.18 1jfx s ARG 199 Cb -0.26 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 1jfx s ARG 199 CO 0.28 0.60 -0.16 -0.80 0.02 0.00 0.00 175.30 175.24 1jfx s ASN 200 N -0.66 2.04 0.05 0.23 0.01 -0.06 -1.65 114.94 114.90 1jfx s ASN 200 Ca 0.10 -0.72 0.08 0.00 -0.71 0.00 0.00 52.86 51.61 1jfx s ASN 200 Cb -0.11 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.44 1jfx s ASN 200 CO 0.01 -0.07 -0.21 -0.75 -1.51 0.00 0.00 177.10 174.57 1jfx s LYS 201 N -2.20 1.95 -0.13 -0.60 2.20 -0.23 -0.83 119.74 119.90 1jfx s LYS 201 Ca 0.05 -1.04 -0.04 0.00 -0.36 0.00 0.00 55.97 54.57 1jfx s LYS 201 Cb -0.08 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1jfx s LYS 201 CO 0.03 0.53 0.02 0.12 -0.36 0.00 0.00 175.35 175.69 1jfx s PHE 202 N -0.91 3.20 -1.28 4.03 5.36 -0.74 -1.11 117.98 126.52 1jfx s PHE 202 Ca 0.14 0.09 -0.14 0.00 -0.96 0.00 0.00 56.93 56.06 1jfx s PHE 202 Cb -0.10 -1.92 0.13 0.00 -0.34 0.00 0.00 43.02 40.78 1jfx s PHE 202 CO 0.05 0.30 1.72 -1.71 -1.46 0.00 0.00 175.22 174.12 1jfx n ASN 203 N 2.82 4.93 0.00 6.13 2.85 0.19 -4.54 115.26 127.64 1jfx n ASN 203 Ca -0.18 -2.97 0.00 0.00 -0.11 0.00 0.00 54.58 51.32 1jfx n ASN 203 Cb 0.53 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.94 1jfx n ASN 203 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jfx n GLY 204 N 4.16 -0.19 3.78 8.20 0.00 -1.26 -4.95 105.19 114.93 1jfx n GLY 204 Ca 0.43 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1jfx n GLY 204 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jfx s SER 205 N 0.00 3.46 0.26 1.61 1.04 -1.26 -4.46 113.70 114.34 1jfx s SER 205 Ca 0.00 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.37 1jfx s SER 205 Cb 0.00 -1.59 0.29 0.00 0.10 0.00 0.00 66.02 64.82 1jfx s SER 205 CO 0.00 -2.58 1.91 0.00 0.98 0.00 0.00 173.24 173.55 1jfx h ALA 206 N -1.52 1.27 -0.73 5.32 0.00 -2.00 -1.81 119.26 119.80 1jfx h ALA 206 Ca -0.51 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1jfx h ALA 206 Cb 1.33 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1jfx h ALA 206 CO 0.61 0.64 0.29 0.00 0.00 0.00 0.00 179.25 180.79 1jfx h ALA 207 N 1.36 1.14 -0.28 0.00 0.00 -1.99 -1.71 119.26 117.78 1jfx h ALA 207 Ca 0.34 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1jfx h ALA 207 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1jfx h ALA 207 CO -0.07 0.62 -0.26 -0.09 0.00 0.00 0.00 179.25 179.45 1jfx h ARG 208 N 1.05 0.55 -0.37 0.00 2.43 -1.75 -0.28 114.38 116.01 1jfx h ARG 208 Ca 0.24 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1jfx h ARG 208 Cb 0.20 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1jfx h ARG 208 CO -0.02 0.76 0.06 1.25 -1.51 0.00 0.00 179.97 180.51 1jfx h LEU 209 N 0.48 0.60 -0.82 3.80 5.85 -0.93 -0.49 115.31 123.80 1jfx h LEU 209 Ca 0.07 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1jfx h LEU 209 Cb 0.71 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1jfx h LEU 209 CO 0.05 0.71 0.12 0.25 -0.34 0.00 0.00 178.44 179.23 1jfx h LEU 210 N 0.46 0.95 -0.99 2.25 5.85 -1.08 -1.05 115.31 121.70 1jfx h LEU 210 Ca 0.11 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1jfx h LEU 210 Cb 0.37 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1jfx h LEU 210 CO 0.01 0.94 0.25 0.00 -0.34 0.00 0.00 178.44 179.30 1jfx h ALA 211 N 1.17 1.20 -0.45 1.25 0.00 -0.74 0.14 119.26 121.83 1jfx h ALA 211 Ca 0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1jfx h ALA 211 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jfx h ALA 211 CO 0.01 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 181.06 1jfx h LEU 212 N 0.96 0.80 -0.46 0.00 5.85 -0.54 0.81 115.31 122.73 1jfx h LEU 212 Ca 0.22 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1jfx h LEU 212 Cb 0.20 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1jfx h LEU 212 CO -0.02 0.93 0.22 0.00 -0.34 0.00 0.00 178.44 179.22 1jfx h ALA 213 N 0.90 0.59 -0.01 1.25 0.00 -0.71 -3.06 119.26 118.22 1jfx h ALA 213 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jfx h ALA 213 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jfx h ALA 213 CO 0.03 0.16 -0.08 0.09 0.00 0.00 0.00 179.25 179.45 1jfx n ASN 214 N -4.63 0.84 -2.75 0.00 3.02 0.46 -4.64 115.26 107.55 1jfx n ASN 214 Ca 0.01 -1.01 -0.16 0.00 -0.03 0.00 0.00 54.58 53.39 1jfx n ASN 214 Cb 0.12 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.35 1jfx n ASN 214 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jfx n ASN 215 N -0.52 -4.03 -0.09 6.41 4.05 0.10 -4.86 115.26 116.31 1jfx n ASN 215 Ca 0.17 -0.41 0.01 0.00 0.45 0.00 0.00 54.58 54.80 1jfx n ASN 215 Cb 0.29 -3.81 0.02 0.00 1.23 0.00 0.00 39.78 37.50 1jfx n ASN 215 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1jfx n THR 216 N -3.94 0.84 -0.54 -0.44 -2.24 -0.17 -5.04 114.28 102.75 1jfx n THR 216 Ca -0.07 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 1jfx n THR 216 Cb 0.57 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1jfx n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50