#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfl h GLU 22 N 0.00 0.09 0.00 -0.72 4.11 -2.04 -2.49 114.58 113.52 2jfl h GLU 22 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2jfl h GLU 22 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jfl h GLU 22 CO 0.00 0.06 0.00 0.72 0.07 0.00 0.00 179.01 179.86 2jfl n HIS 23 N -4.90 0.00 -4.75 2.06 8.25 -1.26 -5.02 115.22 109.60 2jfl n HIS 23 Ca 0.37 -0.25 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 2jfl n HIS 23 Cb 1.35 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 32.28 2jfl n HIS 23 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jfl s VAL 24 N -0.51 2.62 0.11 1.59 1.01 -0.94 -4.18 120.40 120.10 2jfl s VAL 24 Ca 0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2jfl s VAL 24 Cb 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 2jfl s VAL 24 CO 0.00 0.53 0.82 -0.89 0.00 0.00 0.00 175.10 175.56 2jfl s THR 25 N 0.59 4.52 0.09 3.92 2.01 0.69 -4.08 115.64 123.36 2jfl s THR 25 Ca -0.10 1.77 0.05 0.00 0.31 0.00 0.00 61.69 63.72 2jfl s THR 25 Cb -0.16 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2jfl s THR 25 CO 0.03 0.42 0.00 -0.13 -0.69 0.00 0.00 174.62 174.26 2jfl s ARG 26 N -0.50 2.57 0.00 4.92 0.52 -1.26 -0.87 118.95 124.33 2jfl s ARG 26 Ca 0.39 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2jfl s ARG 26 Cb -0.22 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.69 2jfl s ARG 26 CO 0.26 0.55 0.00 -0.25 0.02 0.00 0.00 175.30 175.88 2jfl n ASP 27 N 0.60 -0.75 -4.43 0.23 8.00 -1.26 -4.98 116.55 113.96 2jfl n ASP 27 Ca -0.11 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.07 2jfl n ASP 27 Cb 0.52 -0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 41.13 2jfl n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jfl s LEU 28 N 0.00 2.56 -0.32 0.64 1.43 -1.26 -5.09 118.68 116.63 2jfl s LEU 28 Ca 0.00 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2jfl s LEU 28 Cb 0.00 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.73 2jfl s LEU 28 CO 0.00 0.34 1.21 0.21 0.23 0.00 0.00 176.35 178.34 2jfl s ASN 29 N -0.71 6.75 0.52 2.29 3.84 -1.26 -4.73 114.94 121.64 2jfl s ASN 29 Ca 0.11 1.08 0.27 0.00 0.21 0.00 0.00 52.86 54.53 2jfl s ASN 29 Cb -0.10 -2.54 1.39 0.00 -0.55 0.00 0.00 41.25 39.44 2jfl s ASN 29 CO 0.00 -1.03 1.93 1.55 -2.79 0.00 0.00 177.10 176.76 2jfl h PRO 30 N 8.89 0.06 -0.05 0.43 0.13 -1.97 -0.55 132.00 138.94 2jfl h PRO 30 Ca -0.24 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jfl h PRO 30 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jfl h PRO 30 CO 1.04 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 179.24 2jfl n GLU 31 N -4.35 1.33 0.00 0.86 1.02 -1.26 -0.53 120.64 117.72 2jfl n GLU 31 Ca 0.15 -0.49 0.13 0.00 -0.02 0.00 0.00 57.16 56.93 2jfl n GLU 31 Cb 0.78 -1.40 0.45 0.00 -0.02 0.00 0.00 31.44 31.25 2jfl n GLU 31 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jfl n ASP 32 N -0.33 0.63 -0.02 1.62 8.00 -0.21 -4.41 116.55 121.82 2jfl n ASP 32 Ca 0.17 -0.52 -0.03 0.00 0.71 0.00 0.00 54.79 55.12 2jfl n ASP 32 Cb 0.20 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 2jfl n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jfl n PHE 33 N -1.01 0.00 -5.23 1.24 3.01 -0.82 -4.96 117.46 109.69 2jfl n PHE 33 Ca 0.11 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.25 2jfl n PHE 33 Cb 0.32 -0.17 -0.17 0.00 -0.01 0.00 0.00 39.48 39.45 2jfl n PHE 33 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2jfl s TRP 34 N -2.09 2.52 -0.21 1.38 0.52 0.32 -1.13 118.94 120.25 2jfl s TRP 34 Ca -0.06 -0.91 -0.08 0.00 0.02 0.00 0.00 56.10 55.06 2jfl s TRP 34 Cb 0.02 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 2jfl s TRP 34 CO 0.10 -0.33 0.10 -2.00 0.02 0.00 0.00 176.95 174.83 2jfl s GLU 35 N 0.14 3.97 0.03 4.98 2.12 0.66 -4.14 118.70 126.47 2jfl s GLU 35 Ca -0.13 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 2jfl s GLU 35 Cb -0.16 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 2jfl s GLU 35 CO 0.07 0.15 1.42 0.42 -0.54 0.00 0.00 175.26 176.78 2jfl s ILE 36 N 0.75 3.57 -0.20 -3.70 1.01 -1.26 0.25 121.20 121.62 2jfl s ILE 36 Ca 0.05 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.79 2jfl s ILE 36 Cb -0.13 -3.65 -0.22 0.00 0.01 0.00 0.00 42.46 38.48 2jfl s ILE 36 CO 0.02 0.01 0.03 -0.38 0.00 0.00 0.00 174.94 174.62 2jfl n ILE 37 N 4.53 1.49 -3.98 2.92 5.41 0.86 -4.94 119.36 125.64 2jfl n ILE 37 Ca 0.13 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.17 2jfl n ILE 37 Cb 0.43 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 2jfl n ILE 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jfl n GLY 38 N 1.97 0.41 3.72 7.39 0.00 -1.18 -5.00 105.19 112.50 2jfl n GLY 38 Ca -0.37 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2jfl n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jfl s GLU 39 N -2.00 3.89 -0.15 1.61 2.02 -1.26 -0.08 118.70 122.73 2jfl s GLU 39 Ca 0.02 -0.26 -0.11 0.00 0.02 0.00 0.00 54.97 54.63 2jfl s GLU 39 Cb -0.00 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.91 2jfl s GLU 39 CO -0.00 0.41 -0.10 1.28 0.02 0.00 0.00 175.26 176.86 2jfl n LEU 40 N 3.14 1.82 0.00 1.80 4.77 -0.27 -4.77 117.00 123.48 2jfl n LEU 40 Ca -0.17 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2jfl n LEU 40 Cb 0.53 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2jfl n LEU 40 CO 0.35 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 2jfl n GLY 41 N 1.58 4.52 3.25 -0.72 0.00 -1.10 -5.02 105.19 107.70 2jfl n GLY 41 Ca -0.12 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.33 2jfl n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jfl s ASP 42 N -0.26 -0.68 0.00 1.61 2.15 -1.26 -2.19 116.67 116.04 2jfl s ASP 42 Ca 0.00 0.59 0.00 0.00 0.43 0.00 0.00 52.55 53.57 2jfl s ASP 42 Cb 0.00 1.64 0.00 0.00 -0.30 0.00 0.00 42.92 44.26 2jfl s ASP 42 CO 0.00 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2jfl n GLY 43 N 5.29 4.31 0.39 2.66 0.00 0.11 -4.96 105.19 112.99 2jfl n GLY 43 Ca -0.07 -1.52 0.21 0.00 0.00 0.00 0.00 46.02 44.64 2jfl n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfl h ALA 44 N 1.07 2.50 -0.62 4.61 0.00 -2.02 0.45 119.26 125.25 2jfl h ALA 44 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2jfl h ALA 44 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 2jfl h ALA 44 CO 0.00 -0.67 0.20 1.97 0.00 0.00 0.00 179.25 180.76 2jfl n PHE 45 N -4.38 2.09 0.00 0.00 1.16 -1.26 -5.05 117.46 110.02 2jfl n PHE 45 Ca 0.11 -0.99 0.00 0.00 -1.87 0.00 0.00 57.45 54.70 2jfl n PHE 45 Cb 0.64 -0.60 0.00 0.00 -1.61 0.00 0.00 39.48 37.91 2jfl n PHE 45 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jfl n GLY 46 N 0.01 -1.67 3.83 4.97 0.00 0.16 -4.45 105.19 108.04 2jfl n GLY 46 Ca 0.34 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 2jfl n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jfl s LYS 47 N 0.00 4.12 -0.15 1.61 1.02 -1.26 0.04 119.74 125.12 2jfl s LYS 47 Ca 0.00 0.72 -0.05 0.00 0.02 0.00 0.00 55.97 56.67 2jfl s LYS 47 Cb 0.00 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 2jfl s LYS 47 CO 0.00 0.35 0.00 0.08 -0.92 0.00 0.00 175.35 174.86 2jfl s VAL 48 N -1.64 4.29 0.13 3.17 1.01 -0.93 -3.67 120.40 122.75 2jfl s VAL 48 Ca 0.45 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.26 2jfl s VAL 48 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2jfl s VAL 48 CO 0.20 0.51 0.05 -0.31 0.00 0.00 0.00 175.10 175.54 2jfl s TYR 49 N 0.08 3.03 -0.30 5.22 1.51 0.20 -1.11 117.35 125.98 2jfl s TYR 49 Ca 0.02 -0.03 -0.23 0.00 -1.01 0.00 0.00 57.07 55.82 2jfl s TYR 49 Cb -0.13 -1.51 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 2jfl s TYR 49 CO 0.02 0.50 0.79 0.21 -1.11 0.00 0.00 175.55 175.96 2jfl s LYS 50 N -2.66 3.98 0.20 -0.62 2.20 0.88 0.00 119.74 123.72 2jfl s LYS 50 Ca 0.28 0.60 0.09 0.00 -0.36 0.00 0.00 55.97 56.58 2jfl s LYS 50 Cb -0.11 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 2jfl s LYS 50 CO 0.20 -0.67 -0.05 0.00 -0.36 0.00 0.00 175.35 174.48 2jfl s ALA 51 N 2.94 3.07 -0.04 3.13 0.00 -0.13 -0.10 121.76 130.63 2jfl s ALA 51 Ca 0.32 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 2jfl s ALA 51 Cb -0.14 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.20 2jfl s ALA 51 CO 0.12 0.41 0.01 -1.14 0.00 0.00 0.00 175.76 175.16 2jfl s GLN 52 N -3.09 0.36 0.19 0.00 0.74 0.14 -1.25 119.66 116.73 2jfl s GLN 52 Ca 0.27 0.12 -0.32 0.00 0.05 0.00 0.00 55.36 55.49 2jfl s GLN 52 Cb -0.08 -0.64 -0.11 0.00 1.10 0.00 0.00 33.01 33.28 2jfl s GLN 52 CO 0.17 -0.21 1.67 1.21 -0.55 0.00 0.00 175.29 177.58 2jfl s ASN 53 N 1.45 6.46 0.33 6.67 3.84 -0.00 -0.24 114.94 133.44 2jfl s ASN 53 Ca -0.04 2.76 0.17 0.00 0.21 0.00 0.00 52.86 55.97 2jfl s ASN 53 Cb -0.13 -2.60 0.32 0.00 -0.55 0.00 0.00 41.25 38.29 2jfl s ASN 53 CO -0.03 -0.92 1.56 0.11 -2.79 0.00 0.00 177.10 175.04 2jfl h LYS 54 N 6.89 0.00 0.00 0.43 1.57 -1.48 0.20 116.57 124.19 2jfl h LYS 54 Ca -0.43 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 2jfl h LYS 54 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2jfl h LYS 54 CO 0.94 0.42 -0.61 1.49 -0.57 0.00 0.00 179.45 181.13 2jfl h GLU 55 N 0.00 0.00 0.00 3.15 4.57 -1.91 -3.42 114.58 116.97 2jfl h GLU 55 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jfl h GLU 55 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2jfl h GLU 55 CO 0.06 0.76 -1.24 0.25 -1.18 0.00 0.00 179.01 177.66 2jfl n THR 56 N -4.55 0.13 -0.93 0.32 -2.24 -1.23 -4.97 114.28 100.81 2jfl n THR 56 Ca -0.18 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2jfl n THR 56 Cb 0.49 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2jfl n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jfl n SER 57 N -2.00 -3.87 -4.75 3.42 7.64 0.06 -4.99 113.62 109.12 2jfl n SER 57 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2jfl n SER 57 Cb 0.46 -2.30 -0.02 0.00 -1.01 0.00 0.00 64.21 61.33 2jfl n SER 57 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jfl s VAL 58 N -1.49 2.48 0.21 0.44 1.01 -1.26 -4.58 120.40 117.22 2jfl s VAL 58 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 2jfl s VAL 58 Cb 0.00 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 2jfl s VAL 58 CO 0.00 0.07 0.54 -0.76 0.00 0.00 0.00 175.10 174.95 2jfl s LEU 59 N -0.60 4.20 0.03 3.92 1.43 -1.26 -0.82 118.68 125.58 2jfl s LEU 59 Ca 0.59 0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 54.57 2jfl s LEU 59 Cb -0.43 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 2jfl s LEU 59 CO 0.46 -0.04 0.08 0.00 0.23 0.00 0.00 176.35 177.09 2jfl s ALA 60 N -1.75 -0.04 -0.22 4.21 0.00 -0.38 -3.27 121.76 120.30 2jfl s ALA 60 Ca 0.45 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 2jfl s ALA 60 Cb -0.12 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2jfl s ALA 60 CO 0.21 -0.30 0.60 0.00 0.00 0.00 0.00 175.76 176.27 2jfl s ALA 61 N -2.51 3.57 -0.40 0.00 0.00 -0.29 -0.95 121.76 121.18 2jfl s ALA 61 Ca -0.06 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 2jfl s ALA 61 Cb -0.02 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.19 2jfl s ALA 61 CO -0.04 -0.64 0.26 0.00 0.00 0.00 0.00 175.76 175.33 2jfl s ALA 62 N 2.11 3.34 0.02 0.00 0.00 0.10 -1.43 121.76 125.89 2jfl s ALA 62 Ca 0.27 -1.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.04 2jfl s ALA 62 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2jfl s ALA 62 CO 0.09 -1.52 0.95 0.15 0.00 0.00 0.00 175.76 175.44 2jfl s LYS 63 N 1.54 4.57 -0.26 0.00 1.02 -0.16 -0.63 119.74 125.83 2jfl s LYS 63 Ca 0.03 1.38 0.02 0.00 0.02 0.00 0.00 55.97 57.42 2jfl s LYS 63 Cb -0.21 -3.44 0.07 0.00 -0.52 0.00 0.00 37.83 33.72 2jfl s LYS 63 CO 0.06 0.01 -0.06 0.08 -0.92 0.00 0.00 175.35 174.52 2jfl s VAL 64 N 0.80 1.82 -0.25 3.17 1.01 -1.24 -1.11 120.40 124.60 2jfl s VAL 64 Ca 0.50 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 2jfl s VAL 64 Cb -0.21 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2jfl s VAL 64 CO 0.28 -0.16 0.05 -0.63 0.00 0.00 0.00 175.10 174.64 2jfl s ILE 65 N 1.24 4.09 0.03 2.22 1.01 -0.33 -4.59 121.20 124.87 2jfl s ILE 65 Ca -0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 2jfl s ILE 65 Cb -0.19 -2.94 -0.07 0.00 0.01 0.00 0.00 42.46 39.27 2jfl s ILE 65 CO -0.07 0.31 1.58 -0.62 0.00 0.00 0.00 174.94 176.14 2jfl s ASP 66 N 1.57 6.68 -0.16 3.58 2.15 -1.26 -1.01 116.67 128.23 2jfl s ASP 66 Ca 0.06 2.34 -0.01 0.00 0.43 0.00 0.00 52.55 55.37 2jfl s ASP 66 Cb -0.15 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.90 2jfl s ASP 66 CO 0.02 -0.84 -0.11 0.42 -0.17 0.00 0.00 175.17 174.50 2jfl s THR 67 N 2.74 3.09 0.34 1.71 -4.23 0.07 -4.94 115.64 114.42 2jfl s THR 67 Ca 0.71 -0.62 0.14 0.00 -1.18 0.00 0.00 61.69 60.73 2jfl s THR 67 Cb -0.36 -2.34 0.09 0.00 1.34 0.00 0.00 72.50 71.23 2jfl s THR 67 CO 0.30 0.49 1.79 0.07 -0.54 0.00 0.00 174.62 176.74 2jfl h LYS 68 N 7.28 0.00 0.00 3.99 -0.00 -1.95 -3.44 116.57 122.44 2jfl h LYS 68 Ca -0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.18 2jfl h LYS 68 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.39 2jfl h LYS 68 CO 0.58 0.40 -0.05 -1.13 -0.00 0.00 0.00 179.45 179.25 2jfl n SER 69 N -3.95 -0.87 0.01 7.07 3.41 -1.26 -5.08 113.62 112.94 2jfl n SER 69 Ca -0.02 -2.07 -0.12 0.00 -0.26 0.00 0.00 58.87 56.40 2jfl n SER 69 Cb 0.44 1.59 -0.14 0.00 -0.26 0.00 0.00 64.21 65.84 2jfl n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jfl h GLU 70 N 0.00 0.09 -0.29 4.33 4.81 -2.00 -3.30 114.58 118.21 2jfl h GLU 70 Ca -0.16 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.00 2jfl h GLU 70 Cb 0.69 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2jfl h GLU 70 CO 0.22 0.79 0.25 0.93 -0.73 0.00 0.00 179.01 180.47 2jfl h GLU 71 N 0.02 0.00 0.00 1.92 4.39 -2.02 -0.99 114.58 117.91 2jfl h GLU 71 Ca -0.27 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2jfl h GLU 71 Cb 1.99 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.64 2jfl h GLU 71 CO 0.10 0.00 -0.13 0.93 -1.16 0.00 0.00 179.01 178.76 2jfl h GLU 72 N 0.00 0.00 -0.81 2.33 5.08 -2.00 -2.75 114.58 116.43 2jfl h GLU 72 Ca 0.14 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.68 2jfl h GLU 72 Cb 0.65 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2jfl h GLU 72 CO -0.00 0.13 0.55 -0.07 -1.00 0.00 0.00 179.01 178.61 2jfl h LEU 73 N 0.00 0.36 -1.82 1.33 4.07 -1.37 -0.64 115.31 117.23 2jfl h LEU 73 Ca -0.00 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 2jfl h LEU 73 Cb 0.29 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2jfl h LEU 73 CO 0.02 0.16 -0.06 -0.33 -1.08 0.00 0.00 178.44 177.15 2jfl h GLU 74 N 0.37 0.03 0.00 1.13 5.08 -1.66 -1.89 114.58 117.63 2jfl h GLU 74 Ca 0.41 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2jfl h GLU 74 Cb 1.04 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jfl h GLU 74 CO -0.13 0.10 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.49 2jfl h ASP 75 N 0.03 0.00 -0.01 1.42 3.32 -1.28 -3.13 116.42 116.77 2jfl h ASP 75 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jfl h ASP 75 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jfl h ASP 75 CO 0.01 0.05 -0.12 -1.22 -1.72 0.00 0.00 179.24 176.24 2jfl n TYR 76 N -3.23 0.00 0.06 4.55 4.02 -0.73 -4.67 117.16 117.16 2jfl n TYR 76 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.81 2jfl n TYR 76 Cb 0.26 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.66 2jfl n TYR 76 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 176.86 176.37 2jfl h MET 77 N 2.27 0.33 -0.65 -0.72 2.86 -1.44 -2.87 114.93 114.70 2jfl h MET 77 Ca 0.00 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 2jfl h MET 77 Cb 0.54 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 2jfl h MET 77 CO 0.00 0.86 0.13 0.28 1.06 0.00 0.00 176.91 179.25 2jfl h VAL 78 N 0.24 1.26 0.01 -2.22 2.07 -1.83 -0.86 116.25 114.92 2jfl h VAL 78 Ca -0.01 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2jfl h VAL 78 Cb 1.18 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2jfl h VAL 78 CO 0.11 0.37 -0.01 -0.08 0.02 0.00 0.00 177.57 177.98 2jfl h GLU 79 N 0.99 -0.02 -0.43 1.57 4.81 -1.72 -0.86 114.58 118.93 2jfl h GLU 79 Ca 0.20 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 2jfl h GLU 79 Cb 0.38 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 2jfl h GLU 79 CO 0.01 0.18 0.11 0.82 -0.73 0.00 0.00 179.01 179.40 2jfl h ILE 80 N -0.21 0.80 -0.78 2.32 1.08 -1.40 -1.07 117.51 118.25 2jfl h ILE 80 Ca -0.00 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2jfl h ILE 80 Cb 0.21 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2jfl h ILE 80 CO 0.00 0.05 0.33 -0.78 -0.69 0.00 0.00 178.15 177.06 2jfl h ASP 81 N 0.25 1.06 -0.01 1.72 3.58 -1.04 0.61 116.42 122.59 2jfl h ASP 81 Ca 0.21 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2jfl h ASP 81 Cb 0.24 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2jfl h ASP 81 CO -0.25 0.93 0.00 0.40 -2.88 0.00 0.00 179.24 177.44 2jfl h ILE 82 N 1.12 1.12 -0.75 2.25 2.04 -0.87 0.51 117.51 122.92 2jfl h ILE 82 Ca 0.26 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2jfl h ILE 82 Cb 0.19 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2jfl h ILE 82 CO -0.02 0.09 0.46 -0.07 0.00 0.00 0.00 178.15 178.60 2jfl h LEU 83 N -0.13 0.90 -0.55 1.44 3.38 -0.86 -0.72 115.31 118.77 2jfl h LEU 83 Ca 0.00 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2jfl h LEU 83 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jfl h LEU 83 CO -0.00 0.70 -0.52 0.00 0.09 0.00 0.00 178.44 178.71 2jfl h ALA 84 N 1.24 0.73 0.00 1.53 0.00 -0.86 -3.27 119.26 118.64 2jfl h ALA 84 Ca 0.27 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2jfl h ALA 84 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jfl h ALA 84 CO -0.05 0.68 -0.79 0.66 0.00 0.00 0.00 179.25 179.75 2jfl h SER 85 N 0.43 0.00 -3.72 0.00 4.64 -0.61 -3.47 113.55 110.82 2jfl h SER 85 Ca 0.01 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.83 2jfl h SER 85 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2jfl h SER 85 CO 0.10 0.16 0.40 0.00 -0.87 0.00 0.00 176.83 176.62 2jfl s ASP 87 N -0.81 2.61 -0.00 0.00 2.15 -1.26 -4.96 116.67 114.40 2jfl s ASP 87 Ca 0.44 -2.92 0.01 0.00 0.43 0.00 0.00 52.55 50.50 2jfl s ASP 87 Cb -0.28 -0.70 -0.00 0.00 -0.30 0.00 0.00 42.92 41.64 2jfl s ASP 87 CO 0.35 -0.20 -0.03 -2.28 -0.17 0.00 0.00 175.17 172.84 2jfl s HIS 88 N 0.10 0.23 0.55 -5.34 2.46 -1.26 -5.05 115.29 106.98 2jfl s HIS 88 Ca 0.26 -0.04 0.33 0.00 0.47 0.00 0.00 55.06 56.08 2jfl s HIS 88 Cb -0.08 -0.15 1.49 0.00 -0.13 0.00 0.00 32.58 33.71 2jfl s HIS 88 CO -0.12 -0.01 1.83 -1.35 -2.47 0.00 0.00 174.74 172.63 2jfl h PRO 89 N 6.10 0.00 -0.24 2.88 0.11 -1.99 -2.89 132.00 135.98 2jfl h PRO 89 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jfl h PRO 89 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jfl h PRO 89 CO 0.51 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.39 2jfl n ASN 90 N -4.08 3.60 -4.21 -2.05 4.13 -1.26 -4.80 115.26 106.58 2jfl n ASN 90 Ca 0.20 -2.90 -0.30 0.00 1.68 0.00 0.00 54.58 53.26 2jfl n ASN 90 Cb 1.06 -0.49 -0.16 0.00 -1.54 0.00 0.00 39.78 38.64 2jfl n ASN 90 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jfl s ILE 91 N -2.61 1.83 0.30 2.41 1.01 -1.09 -0.14 121.20 122.92 2jfl s ILE 91 Ca 0.38 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 2jfl s ILE 91 Cb 0.31 -1.56 -0.10 0.00 0.01 0.00 0.00 42.46 41.11 2jfl s ILE 91 CO 0.09 0.51 1.33 0.68 0.00 0.00 0.00 174.94 177.55 2jfl s VAL 92 N -0.01 2.75 0.22 2.92 -7.23 -0.91 -4.65 120.40 113.48 2jfl s VAL 92 Ca -0.06 0.71 -0.06 0.00 -1.81 0.00 0.00 61.98 60.76 2jfl s VAL 92 Cb -0.14 -3.45 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 2jfl s VAL 92 CO 0.04 0.15 0.48 -0.54 -0.31 0.00 0.00 175.10 174.93 2jfl s LYS 93 N -1.37 3.68 -0.13 4.82 1.02 -1.26 -4.86 119.74 121.64 2jfl s LYS 93 Ca 0.52 0.05 -0.28 0.00 0.02 0.00 0.00 55.97 56.28 2jfl s LYS 93 Cb -0.40 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 2jfl s LYS 93 CO 0.50 0.34 0.93 -1.17 -0.92 0.00 0.00 175.35 175.03 2jfl s LEU 94 N -2.99 4.22 -0.13 3.17 2.96 -1.23 -1.49 118.68 123.19 2jfl s LEU 94 Ca 0.44 1.37 0.11 0.00 -0.22 0.00 0.00 54.13 55.83 2jfl s LEU 94 Cb -0.11 -3.41 -0.23 0.00 0.50 0.00 0.00 46.19 42.93 2jfl s LEU 94 CO 0.25 -0.42 0.33 0.18 -1.32 0.00 0.00 176.35 175.36 2jfl n LEU 95 N 5.09 1.04 -3.59 -0.68 4.77 0.13 -4.92 117.00 118.84 2jfl n LEU 95 Ca 0.07 0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 56.18 2jfl n LEU 95 Cb 0.49 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2jfl n LEU 95 CO 0.50 0.55 0.95 -1.81 -1.33 0.00 0.00 177.39 176.25 2jfl s ASP 96 N -6.06 -0.19 -0.10 -1.43 1.01 -1.09 -5.00 116.67 103.81 2jfl s ASP 96 Ca -0.12 0.10 -0.08 0.00 0.71 0.00 0.00 52.55 53.16 2jfl s ASP 96 Cb 0.07 0.18 0.03 0.00 1.01 0.00 0.00 42.92 44.22 2jfl s ASP 96 CO 0.80 -0.26 0.26 0.00 0.21 0.00 0.00 175.17 176.18 2jfl s ALA 97 N -1.93 -0.63 0.00 5.23 0.00 -1.26 -0.66 121.76 122.51 2jfl s ALA 97 Ca 0.06 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.91 2jfl s ALA 97 Cb -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2jfl s ALA 97 CO -0.04 -0.15 -0.11 -0.06 0.00 0.00 0.00 175.76 175.39 2jfl s PHE 98 N 0.54 1.00 -0.31 0.00 0.40 -0.26 -0.23 117.98 119.12 2jfl s PHE 98 Ca -0.03 -0.23 -0.06 0.00 -0.60 0.00 0.00 56.93 56.00 2jfl s PHE 98 Cb -0.05 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.87 2jfl s PHE 98 CO -0.03 -0.01 0.09 -0.47 0.70 0.00 0.00 175.22 175.50 2jfl s TYR 99 N -0.41 3.19 -0.13 0.36 6.04 -0.05 -0.23 117.35 126.11 2jfl s TYR 99 Ca 0.03 -1.18 -0.06 0.00 0.04 0.00 0.00 57.07 55.90 2jfl s TYR 99 Cb -0.05 -2.26 0.06 0.00 -1.04 0.00 0.00 41.96 38.67 2jfl s TYR 99 CO -0.00 -0.65 0.30 -0.47 -1.54 0.00 0.00 175.55 173.20 2jfl s TYR 100 N 1.45 -0.46 -1.33 4.97 5.04 -0.56 -3.98 117.35 122.48 2jfl s TYR 100 Ca 0.01 1.01 -0.09 0.00 -2.44 0.00 0.00 57.07 55.56 2jfl s TYR 100 Cb -0.18 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.23 2jfl s TYR 100 CO 0.02 -0.31 0.49 0.39 -1.34 0.00 0.00 175.55 174.80 2jfl n GLU 101 N 4.63 -2.17 -1.25 4.97 1.02 -1.26 -1.92 120.64 124.66 2jfl n GLU 101 Ca -0.18 0.34 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2jfl n GLU 101 Cb 0.52 -4.09 -0.04 0.00 -0.02 0.00 0.00 31.44 27.82 2jfl n GLU 101 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jfl n ASN 102 N -2.80 -4.70 -4.23 1.62 3.02 -1.26 -4.99 115.26 101.91 2jfl n ASN 102 Ca -0.24 0.21 -0.28 0.00 -0.03 0.00 0.00 54.58 54.24 2jfl n ASN 102 Cb 0.65 -2.94 -0.16 0.00 -0.61 0.00 0.00 39.78 36.72 2jfl n ASN 102 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2jfl s ASN 103 N -2.55 2.53 -0.31 6.41 0.01 -0.81 -0.75 114.94 119.47 2jfl s ASN 103 Ca 0.00 -0.39 -0.17 0.00 -0.71 0.00 0.00 52.86 51.59 2jfl s ASN 103 Cb 0.00 -0.31 -0.02 0.00 0.41 0.00 0.00 41.25 41.33 2jfl s ASN 103 CO 0.00 0.26 0.46 -0.22 -1.51 0.00 0.00 177.10 176.09 2jfl s LEU 104 N -0.47 4.21 -0.19 0.60 2.96 -0.18 -1.50 118.68 124.12 2jfl s LEU 104 Ca 0.07 0.15 -0.13 0.00 -0.22 0.00 0.00 54.13 54.00 2jfl s LEU 104 Cb -0.09 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 2jfl s LEU 104 CO -0.01 -0.35 0.28 0.26 -1.32 0.00 0.00 176.35 175.21 2jfl s TRP 105 N 2.26 3.41 -0.17 5.38 0.52 0.69 -1.19 118.94 129.83 2jfl s TRP 105 Ca 0.18 0.51 0.01 0.00 0.02 0.00 0.00 56.10 56.81 2jfl s TRP 105 Cb -0.16 -2.35 0.02 0.00 -1.15 0.00 0.00 33.47 29.84 2jfl s TRP 105 CO 0.11 0.16 -0.17 0.42 0.02 0.00 0.00 176.95 177.50 2jfl s ILE 106 N 0.73 1.85 -0.21 2.03 1.01 -0.27 -1.10 121.20 125.25 2jfl s ILE 106 Ca 0.15 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 2jfl s ILE 106 Cb -0.13 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2jfl s ILE 106 CO 0.04 0.47 0.02 -0.76 0.00 0.00 0.00 174.94 174.71 2jfl s LEU 107 N 1.36 3.37 -0.01 2.97 1.02 0.17 -0.99 118.68 126.57 2jfl s LEU 107 Ca 0.04 -0.17 0.06 0.00 0.02 0.00 0.00 54.13 54.08 2jfl s LEU 107 Cb -0.13 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.20 2jfl s LEU 107 CO -0.12 0.05 -0.19 -0.63 0.02 0.00 0.00 176.35 175.49 2jfl s ILE 108 N 1.08 1.49 0.32 -0.59 1.01 -0.51 0.17 121.20 124.17 2jfl s ILE 108 Ca 0.03 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 2jfl s ILE 108 Cb -0.14 -1.24 -0.13 0.00 0.01 0.00 0.00 42.46 40.96 2jfl s ILE 108 CO 0.02 0.39 1.19 -1.84 0.00 0.00 0.00 174.94 174.70 2jfl n GLU 109 N 2.55 1.85 -2.86 2.79 0.28 -0.56 -1.13 120.64 123.56 2jfl n GLU 109 Ca -0.15 0.65 -0.41 0.00 -0.16 0.00 0.00 57.16 57.09 2jfl n GLU 109 Cb 0.54 -2.15 -0.04 0.00 1.43 0.00 0.00 31.44 31.21 2jfl n GLU 109 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2jfl s PHE 110 N -1.08 3.71 -0.35 -1.84 5.36 -1.20 -4.58 117.98 118.00 2jfl s PHE 110 Ca 0.57 1.58 -0.05 0.00 -0.96 0.00 0.00 56.93 58.07 2jfl s PHE 110 Cb -0.62 -2.96 0.06 0.00 -0.34 0.00 0.00 43.02 39.17 2jfl s PHE 110 CO 0.61 0.16 0.11 0.00 -1.46 0.00 0.00 175.22 174.64 2jfl h ALA 112 N 8.14 1.11 -0.00 0.00 0.00 -1.86 -2.83 119.26 123.81 2jfl h ALA 112 Ca -0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jfl h ALA 112 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jfl h ALA 112 CO 0.61 0.12 -0.07 0.41 0.00 0.00 0.00 179.25 180.32 2jfl n GLY 113 N -0.34 -1.43 4.87 0.00 0.00 0.03 -4.93 105.19 103.39 2jfl n GLY 113 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.89 2jfl n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfl n GLY 114 N 1.48 -1.80 3.87 -0.02 0.00 -1.07 -4.63 105.19 103.02 2jfl n GLY 114 Ca 0.08 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 2jfl n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfl s ALA 115 N -1.43 3.21 0.22 4.61 0.00 -1.26 -0.95 121.76 126.16 2jfl s ALA 115 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 2jfl s ALA 115 Cb 0.00 -2.90 0.18 0.00 0.00 0.00 0.00 23.12 20.40 2jfl s ALA 115 CO 0.00 -0.23 1.89 0.28 0.00 0.00 0.00 175.76 177.70 2jfl h VAL 116 N 0.71 1.21 -0.07 0.00 2.07 -1.12 -2.16 116.25 116.89 2jfl h VAL 116 Ca -0.46 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 2jfl h VAL 116 Cb 1.19 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2jfl h VAL 116 CO 0.62 0.20 -0.28 -2.24 0.02 0.00 0.00 177.57 175.90 2jfl h ASP 117 N 1.10 0.12 -0.38 0.57 2.03 -1.85 -2.34 116.42 115.67 2jfl h ASP 117 Ca 0.30 -0.04 -0.16 0.00 -0.73 0.00 0.00 57.03 56.40 2jfl h ASP 117 Cb -0.12 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.34 2jfl h ASP 117 CO -0.06 0.41 -0.39 0.00 -1.03 0.00 0.00 179.24 178.17 2jfl h ALA 118 N 1.60 0.56 -0.04 4.15 0.00 -1.75 -2.54 119.26 121.24 2jfl h ALA 118 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2jfl h ALA 118 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jfl h ALA 118 CO 0.04 0.67 -0.04 0.28 0.00 0.00 0.00 179.25 180.20 2jfl h VAL 119 N 0.76 0.88 -0.77 0.00 2.07 -1.21 -1.22 116.25 116.76 2jfl h VAL 119 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2jfl h VAL 119 Cb 0.99 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 2jfl h VAL 119 CO 0.10 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.43 2jfl h MET 120 N -0.05 0.82 -0.07 1.57 2.86 -1.38 0.65 114.93 119.33 2jfl h MET 120 Ca 0.03 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 2jfl h MET 120 Cb 0.10 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2jfl h MET 120 CO -0.07 0.54 -0.69 -0.07 1.06 0.00 0.00 176.91 177.68 2jfl h LEU 121 N 0.84 0.36 -0.15 1.22 3.38 -1.36 0.25 115.31 119.85 2jfl h LEU 121 Ca 0.33 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2jfl h LEU 121 Cb 0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2jfl h LEU 121 CO -0.11 0.94 -0.13 -0.33 0.09 0.00 0.00 178.44 178.91 2jfl h GLU 122 N 0.21 0.36 -0.00 1.13 5.08 -0.30 -3.14 114.58 117.92 2jfl h GLU 122 Ca -0.02 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2jfl h GLU 122 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2jfl h GLU 122 CO 0.11 0.72 -0.12 1.28 -1.00 0.00 0.00 179.01 180.00 2jfl n LEU 123 N -4.57 0.14 -3.94 1.33 4.77 0.13 -4.95 117.00 109.91 2jfl n LEU 123 Ca -0.06 0.35 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 2jfl n LEU 123 Cb 0.35 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2jfl n LEU 123 CO 0.39 0.03 0.10 -0.62 -1.33 0.00 0.00 177.39 175.96 2jfl n GLU 124 N -1.45 -5.28 -3.62 3.23 1.02 0.78 -4.98 120.64 110.34 2jfl n GLU 124 Ca 0.08 0.57 -0.11 0.00 -0.02 0.00 0.00 57.16 57.68 2jfl n GLU 124 Cb 0.33 -5.45 -0.05 0.00 -0.02 0.00 0.00 31.44 26.25 2jfl n GLU 124 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jfl s ARG 125 N -6.65 1.04 1.03 3.49 1.70 -0.66 -5.02 118.95 113.89 2jfl s ARG 125 Ca 0.68 -0.56 -0.15 0.00 -0.47 0.00 0.00 55.73 55.23 2jfl s ARG 125 Cb -0.34 0.46 0.20 0.00 -0.57 0.00 0.00 34.95 34.71 2jfl s ARG 125 CO 0.83 -0.40 1.14 -1.25 -1.08 0.00 0.00 175.30 174.55 2jfl s PRO 126 N -3.34 0.17 0.60 3.89 0.04 -1.26 -4.43 135.00 130.67 2jfl s PRO 126 Ca -0.00 0.15 -0.17 0.00 0.04 0.00 0.00 61.00 61.02 2jfl s PRO 126 Cb 0.01 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2jfl s PRO 126 CO -0.09 -2.82 1.12 -0.51 0.04 0.00 0.00 177.00 174.73 2jfl s LEU 127 N -6.40 3.57 0.85 -3.56 1.02 0.21 -5.03 118.68 109.35 2jfl s LEU 127 Ca 0.68 2.07 -0.12 0.00 0.02 0.00 0.00 54.13 56.78 2jfl s LEU 127 Cb -0.13 -4.56 0.10 0.00 0.02 0.00 0.00 46.19 41.62 2jfl s LEU 127 CO 0.55 -1.40 1.12 0.42 0.02 0.00 0.00 176.35 177.06 2jfl s THR 128 N -2.07 2.48 0.21 5.49 -4.23 -1.26 -4.64 115.64 111.62 2jfl s THR 128 Ca 0.70 0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 61.26 2jfl s THR 128 Cb -0.22 -2.92 0.16 0.00 1.34 0.00 0.00 72.50 70.86 2jfl s THR 128 CO 0.34 -0.20 1.86 -0.08 -0.54 0.00 0.00 174.62 175.99 2jfl h GLU 129 N -1.29 1.03 -0.02 3.99 4.81 -1.97 -1.46 114.58 119.67 2jfl h GLU 129 Ca -0.49 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 2jfl h GLU 129 Cb 1.30 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2jfl h GLU 129 CO 0.61 0.72 -0.29 0.66 -0.73 0.00 0.00 179.01 179.98 2jfl h SER 130 N 1.04 0.04 -0.20 1.04 4.64 -2.00 -0.85 113.55 117.26 2jfl h SER 130 Ca 0.27 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.44 2jfl h SER 130 Cb -0.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2jfl h SER 130 CO -0.05 0.33 -0.42 1.56 -0.87 0.00 0.00 176.83 177.38 2jfl h GLN 131 N 0.04 0.64 -0.85 4.77 4.20 -1.81 -3.05 115.11 119.05 2jfl h GLN 131 Ca 0.00 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 2jfl h GLN 131 Cb 0.54 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 2jfl h GLN 131 CO 0.04 1.04 0.48 0.82 -0.67 0.00 0.00 178.83 180.53 2jfl h ILE 132 N 0.33 1.24 -0.61 2.54 2.04 -0.59 -2.56 117.51 119.91 2jfl h ILE 132 Ca 0.00 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2jfl h ILE 132 Cb 1.03 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2jfl h ILE 132 CO 0.09 0.27 0.32 1.56 0.00 0.00 0.00 178.15 180.39 2jfl h GLN 133 N 1.18 0.84 -0.03 2.37 4.20 -1.13 0.19 115.11 122.73 2jfl h GLN 133 Ca 0.30 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2jfl h GLN 133 Cb 0.01 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2jfl h GLN 133 CO -0.05 0.63 -0.03 0.28 -0.67 0.00 0.00 178.83 178.98 2jfl h VAL 134 N 0.84 1.38 -0.65 -0.54 2.07 -1.39 0.03 116.25 118.00 2jfl h VAL 134 Ca 0.21 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2jfl h VAL 134 Cb 0.04 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2jfl h VAL 134 CO -0.03 0.32 0.43 0.58 0.02 0.00 0.00 177.57 178.89 2jfl h VAL 135 N -0.38 1.16 -0.38 2.57 2.07 -1.22 -2.03 116.25 118.04 2jfl h VAL 135 Ca 0.01 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2jfl h VAL 135 Cb 0.53 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2jfl h VAL 135 CO 0.01 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.88 2jfl h LYS 137 N 0.46 0.61 -0.11 0.00 1.63 -0.74 -0.56 116.57 117.86 2jfl h LYS 137 Ca 0.12 -0.09 -0.17 0.00 -0.85 0.00 0.00 60.65 59.67 2jfl h LYS 137 Cb 0.25 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2jfl h LYS 137 CO -0.00 0.52 -0.58 1.96 -3.45 0.00 0.00 179.45 177.90 2jfl h GLN 138 N 0.54 0.59 -1.00 1.90 4.20 -1.31 -2.41 115.11 117.63 2jfl h GLN 138 Ca 0.14 -0.49 0.07 0.00 0.06 0.00 0.00 58.65 58.43 2jfl h GLN 138 Cb 0.12 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 2jfl h GLN 138 CO -0.02 1.11 0.64 1.15 -0.67 0.00 0.00 178.83 181.04 2jfl h THR 139 N 0.22 1.08 -0.40 -0.54 2.02 -0.42 -2.20 112.91 112.68 2jfl h THR 139 Ca -0.04 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 2jfl h THR 139 Cb 1.22 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2jfl h THR 139 CO 0.12 0.21 -0.17 0.25 0.37 0.00 0.00 175.52 176.31 2jfl h LEU 140 N 1.17 0.76 -0.16 2.58 5.85 -1.06 -1.80 115.31 122.65 2jfl h LEU 140 Ca 0.43 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2jfl h LEU 140 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2jfl h LEU 140 CO -0.17 0.93 0.04 0.44 -0.34 0.00 0.00 178.44 179.34 2jfl h ASP 141 N 0.68 0.04 -0.17 1.25 3.32 -0.91 -1.29 116.42 119.34 2jfl h ASP 141 Ca 0.11 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.22 2jfl h ASP 141 Cb 0.66 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 2jfl h ASP 141 CO 0.05 0.05 -0.11 0.00 -1.72 0.00 0.00 179.24 177.50 2jfl h ALA 142 N 1.10 0.02 -0.80 3.45 0.00 -1.20 -2.04 119.26 119.79 2jfl h ALA 142 Ca 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2jfl h ALA 142 Cb 0.05 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2jfl h ALA 142 CO -0.08 -0.55 0.34 -0.07 0.00 0.00 0.00 179.25 178.89 2jfl h LEU 143 N -0.11 1.09 -0.31 0.00 3.38 -1.25 -0.31 115.31 117.79 2jfl h LEU 143 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jfl h LEU 143 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jfl h LEU 143 CO -0.23 0.95 0.16 -1.13 0.09 0.00 0.00 178.44 178.27 2jfl h ASN 144 N 1.16 0.40 -0.08 -0.43 -1.24 -1.08 0.23 115.58 114.54 2jfl h ASN 144 Ca 0.27 -0.11 0.03 0.00 0.71 0.00 0.00 56.30 57.20 2jfl h ASN 144 Cb 0.19 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 2jfl h ASN 144 CO -0.03 0.40 -0.13 0.22 -1.29 0.00 0.00 177.43 176.61 2jfl h TYR 145 N 0.38 -0.33 -0.20 0.67 3.20 -1.00 -0.31 116.97 119.38 2jfl h TYR 145 Ca 0.11 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2jfl h TYR 145 Cb 0.10 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2jfl h TYR 145 CO -0.02 -0.19 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.11 2jfl h LEU 146 N -0.18 -0.42 -0.81 2.82 3.38 -0.65 -1.55 115.31 117.91 2jfl h LEU 146 Ca 0.07 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2jfl h LEU 146 Cb 0.28 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2jfl h LEU 146 CO -0.19 -0.17 0.07 0.45 0.09 0.00 0.00 178.44 178.69 2jfl h HIS 147 N -0.12 1.03 -0.68 1.13 3.86 -0.34 0.19 115.15 120.22 2jfl h HIS 147 Ca 0.12 -0.14 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2jfl h HIS 147 Cb 0.29 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 2jfl h HIS 147 CO -0.28 0.89 0.45 -0.44 0.86 0.00 0.00 177.93 179.40 2jfl h ASP 148 N 0.90 0.64 -0.44 2.45 5.19 -0.82 -1.71 116.42 122.64 2jfl h ASP 148 Ca 0.18 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2jfl h ASP 148 Cb 0.44 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2jfl h ASP 148 CO 0.01 0.42 0.00 0.59 -3.12 0.00 0.00 179.24 177.15 2jfl n ASN 149 N -4.47 3.62 -1.46 6.45 3.02 -0.43 -4.94 115.26 117.05 2jfl n ASN 149 Ca 0.09 -2.38 -0.13 0.00 -0.03 0.00 0.00 54.58 52.13 2jfl n ASN 149 Cb 0.19 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 2jfl n ASN 149 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jfl n LYS 150 N 0.65 -1.04 -4.29 3.52 4.76 -0.53 -4.73 118.16 116.50 2jfl n LYS 150 Ca 0.18 0.66 -0.34 0.00 -2.87 0.00 0.00 58.31 55.94 2jfl n LYS 150 Cb 0.71 -4.87 -0.11 0.00 -1.84 0.00 0.00 35.03 28.91 2jfl n LYS 150 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2jfl s ILE 151 N -2.64 4.20 -0.22 -0.18 1.01 -0.08 -0.33 121.20 122.96 2jfl s ILE 151 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 2jfl s ILE 151 Cb 0.00 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2jfl s ILE 151 CO 0.00 0.50 0.06 -0.63 0.00 0.00 0.00 174.94 174.87 2jfl s ILE 152 N 0.17 4.42 0.04 2.92 1.01 0.35 -3.36 121.20 126.75 2jfl s ILE 152 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.24 2jfl s ILE 152 Cb -0.13 -3.03 -0.17 0.00 0.01 0.00 0.00 42.46 39.14 2jfl s ILE 152 CO 0.02 0.40 1.46 -0.74 0.00 0.00 0.00 174.94 176.08 2jfl h HIS 153 N 7.55 -0.42 0.00 3.97 -0.00 -1.94 -0.48 115.15 123.84 2jfl h HIS 153 Ca -0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 2jfl h HIS 153 Cb 1.18 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 2jfl h HIS 153 CO 0.62 -0.15 0.00 0.54 -0.00 0.00 0.00 177.93 178.94 2jfl n ARG 154 N -5.21 0.00 -2.74 5.26 1.74 -1.26 -3.09 116.66 111.36 2jfl n ARG 154 Ca -0.10 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.94 2jfl n ARG 154 Cb 0.24 -2.64 0.06 0.00 -1.02 0.00 0.00 32.46 29.11 2jfl n ARG 154 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jfl n ASP 155 N 0.00 0.65 -4.72 0.55 2.03 -1.26 -4.97 116.55 108.83 2jfl n ASP 155 Ca 0.00 -2.34 -0.42 0.00 0.52 0.00 0.00 54.79 52.55 2jfl n ASP 155 Cb 0.00 -0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 2jfl n ASP 155 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jfl s LEU 156 N -3.55 4.37 0.07 -2.67 2.96 -1.26 -4.83 118.68 113.77 2jfl s LEU 156 Ca 0.24 2.47 -0.27 0.00 -0.22 0.00 0.00 54.13 56.34 2jfl s LEU 156 Cb 0.40 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.58 2jfl s LEU 156 CO -0.03 -0.73 1.02 -1.59 -1.32 0.00 0.00 176.35 173.69 2jfl s LYS 157 N 1.09 0.92 0.47 1.98 -2.85 -1.26 -4.83 119.74 115.26 2jfl s LYS 157 Ca 0.67 -0.47 0.14 0.00 -1.00 0.00 0.00 55.97 55.30 2jfl s LYS 157 Cb -0.40 0.34 1.09 0.00 -2.06 0.00 0.00 37.83 36.80 2jfl s LYS 157 CO 0.31 -0.42 2.07 0.00 0.10 0.00 0.00 175.35 177.41 2jfl h ALA 158 N 2.00 1.83 0.00 0.59 0.00 -1.93 -1.37 119.26 120.38 2jfl h ALA 158 Ca -0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jfl h ALA 158 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jfl h ALA 158 CO 0.27 0.13 0.00 0.78 0.00 0.00 0.00 179.25 180.43 2jfl h GLY 159 N 0.29 0.00 -1.81 0.00 0.00 -1.95 -2.88 103.07 96.73 2jfl h GLY 159 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2jfl h GLY 159 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 2jfl n ASN 160 N -2.55 3.77 -4.20 0.19 3.02 -0.52 -4.82 115.26 110.16 2jfl n ASN 160 Ca 0.00 -2.56 -0.34 0.00 -0.03 0.00 0.00 54.58 51.65 2jfl n ASN 160 Cb 0.19 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 38.77 2jfl n ASN 160 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jfl s ILE 161 N -2.01 2.80 0.02 2.41 1.01 -1.10 -1.16 121.20 123.17 2jfl s ILE 161 Ca 0.38 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2jfl s ILE 161 Cb 0.26 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2jfl s ILE 161 CO 0.14 0.29 -0.05 -0.76 0.00 0.00 0.00 174.94 174.56 2jfl s LEU 162 N 1.34 3.25 -0.12 2.97 1.43 -0.02 -1.53 118.68 126.00 2jfl s LEU 162 Ca 0.02 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 2jfl s LEU 162 Cb -0.16 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2jfl s LEU 162 CO -0.06 0.26 0.37 -0.36 0.23 0.00 0.00 176.35 176.79 2jfl s PHE 163 N -1.07 3.53 0.61 0.29 2.99 -0.13 -0.69 117.98 123.52 2jfl s PHE 163 Ca 0.19 0.76 -0.08 0.00 0.00 0.00 0.00 56.93 57.80 2jfl s PHE 163 Cb -0.11 -2.38 0.00 0.00 0.00 0.00 0.00 43.02 40.53 2jfl s PHE 163 CO 0.10 0.31 0.95 0.95 -0.00 0.00 0.00 175.22 177.53 2jfl s THR 164 N 0.17 3.79 0.53 0.64 -4.23 0.49 -0.79 115.64 116.24 2jfl s THR 164 Ca 0.21 0.21 0.25 0.00 -1.18 0.00 0.00 61.69 61.17 2jfl s THR 164 Cb -0.14 -3.52 0.38 0.00 1.34 0.00 0.00 72.50 70.55 2jfl s THR 164 CO 0.08 -0.59 2.02 0.25 -0.54 0.00 0.00 174.62 175.83 2jfl h LEU 165 N -0.28 0.00 -0.93 4.79 5.85 -1.91 -2.41 115.31 120.42 2jfl h LEU 165 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2jfl h LEU 165 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2jfl h LEU 165 CO 0.62 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 179.19 2jfl n ASP 166 N -4.34 1.40 0.00 1.25 8.00 -1.26 -4.91 116.55 116.69 2jfl n ASP 166 Ca 0.08 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.97 2jfl n ASP 166 Cb 0.54 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 2jfl n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jfl n GLY 167 N 1.10 0.62 4.01 0.44 0.00 -0.91 -4.81 105.19 105.65 2jfl n GLY 167 Ca 0.17 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2jfl n GLY 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jfl s ASP 168 N -2.34 5.17 0.22 1.61 1.01 -1.26 -4.54 116.67 116.53 2jfl s ASP 168 Ca 0.00 -0.49 0.11 0.00 0.71 0.00 0.00 52.55 52.89 2jfl s ASP 168 Cb 0.00 -0.25 -0.05 0.00 1.01 0.00 0.00 42.92 43.63 2jfl s ASP 168 CO 0.00 -1.22 -0.22 0.27 0.21 0.00 0.00 175.17 174.20 2jfl s ILE 169 N -2.67 2.42 -0.02 0.77 -5.25 -1.26 -0.38 121.20 114.81 2jfl s ILE 169 Ca 0.60 -2.13 0.03 0.00 -0.99 0.00 0.00 60.65 58.16 2jfl s ILE 169 Cb -0.08 -2.19 -0.00 0.00 2.95 0.00 0.00 42.46 43.14 2jfl s ILE 169 CO 0.38 -0.20 -0.09 -0.54 -1.79 0.00 0.00 174.94 172.70 2jfl s LYS 170 N -2.92 0.87 0.12 0.37 1.02 0.14 -4.46 119.74 114.88 2jfl s LYS 170 Ca 0.24 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.62 2jfl s LYS 170 Cb -0.07 -0.83 -0.07 0.00 -0.52 0.00 0.00 37.83 36.35 2jfl s LYS 170 CO 0.11 0.17 0.86 -1.17 -0.92 0.00 0.00 175.35 174.40 2jfl s LEU 171 N -0.04 4.52 0.00 3.17 2.96 0.80 -0.84 118.68 129.25 2jfl s LEU 171 Ca 0.01 1.68 0.05 0.00 -0.22 0.00 0.00 54.13 55.64 2jfl s LEU 171 Cb -0.06 -3.43 -0.02 0.00 0.50 0.00 0.00 46.19 43.19 2jfl s LEU 171 CO -0.00 0.04 0.17 0.00 -1.32 0.00 0.00 176.35 175.24 2jfl n ALA 172 N 2.39 0.53 -2.85 5.97 0.00 -0.31 -2.13 120.51 124.12 2jfl n ALA 172 Ca -0.01 -1.68 -0.08 0.00 0.00 0.00 0.00 53.44 51.67 2jfl n ALA 172 Cb 0.49 1.23 0.01 0.00 0.00 0.00 0.00 19.45 21.18 2jfl n ALA 172 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jfl n ASP 173 N -1.75 -7.92 -2.05 0.00 2.03 -1.26 -4.84 116.55 100.76 2jfl n ASP 173 Ca 0.00 0.64 -0.11 0.00 0.52 0.00 0.00 54.79 55.84 2jfl n ASP 173 Cb 0.51 -5.31 0.26 0.00 -0.72 0.00 0.00 41.12 35.86 2jfl n ASP 173 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jfl n PHE 174 N -0.17 2.58 0.28 -0.67 3.01 -1.26 -4.60 117.46 116.63 2jfl n PHE 174 Ca 0.10 -1.36 0.13 0.00 1.01 0.00 0.00 57.45 57.33 2jfl n PHE 174 Cb 0.41 -0.75 0.82 0.00 -0.01 0.00 0.00 39.48 39.94 2jfl n PHE 174 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2jfl h GLY 175 N 2.29 0.00 -0.10 1.37 0.00 -1.93 -2.77 103.07 101.93 2jfl h GLY 175 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2jfl h GLY 175 CO 0.83 0.00 -0.05 3.33 0.00 0.00 0.00 176.54 180.65 2jfl n VAL 176 N -3.87 1.21 -1.34 4.60 0.24 -1.26 -4.90 118.33 113.00 2jfl n VAL 176 Ca -0.03 -1.37 -0.34 0.00 -2.04 0.00 0.00 64.34 60.57 2jfl n VAL 176 Cb 0.14 0.22 0.10 0.00 -1.47 0.00 0.00 33.84 32.83 2jfl n VAL 176 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2jfl s SER 177 N -1.73 4.09 -0.08 -1.34 0.01 -1.04 -4.78 113.70 108.82 2jfl s SER 177 Ca 0.14 2.28 0.02 0.00 1.31 0.00 0.00 55.95 59.70 2jfl s SER 177 Cb 0.12 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2jfl s SER 177 CO 0.01 -2.33 -0.13 0.00 0.41 0.00 0.00 173.24 171.21 2jfl s ALA 178 N -2.15 2.69 -0.25 1.44 0.00 -0.19 -4.91 121.76 118.40 2jfl s ALA 178 Ca 0.72 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2jfl s ALA 178 Cb -0.27 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 21.82 2jfl s ALA 178 CO 0.47 0.45 -0.06 0.21 0.00 0.00 0.00 175.76 176.84 2jfl s LYS 179 N -0.35 1.72 -0.02 0.00 2.20 -1.26 -0.50 119.74 121.53 2jfl s LYS 179 Ca 0.04 -1.12 0.12 0.00 -0.36 0.00 0.00 55.97 54.65 2jfl s LYS 179 Cb -0.12 -2.67 0.39 0.00 -1.51 0.00 0.00 37.83 33.92 2jfl s LYS 179 CO 0.02 -0.62 1.30 0.09 -0.36 0.00 0.00 175.35 175.78 2jfl n ASN 180 N 4.60 2.51 -0.08 1.43 3.02 0.55 -4.49 115.26 122.80 2jfl n ASN 180 Ca -0.11 -2.08 -0.11 0.00 -0.03 0.00 0.00 54.58 52.24 2jfl n ASN 180 Cb 0.43 -0.33 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2jfl n ASN 180 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2jfl h THR 181 N 2.47 1.26 0.00 3.41 1.35 -1.85 0.67 112.91 120.23 2jfl h THR 181 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2jfl h THR 181 Cb 0.69 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2jfl h THR 181 CO 0.04 0.29 0.00 -1.14 -0.25 0.00 0.00 175.52 174.47 2jfl n ARG 182 N -4.62 0.64 0.00 4.72 0.63 -1.26 -1.49 116.66 115.28 2jfl n ARG 182 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2jfl n ARG 182 Cb 0.26 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.90 2jfl n ARG 182 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2jfl n ILE 184 N 0.39 0.00 -0.22 5.15 -0.00 0.23 -0.28 119.36 124.62 2jfl n ILE 184 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.78 2jfl n ILE 184 Cb 0.23 0.00 0.28 0.00 -0.00 0.00 0.00 39.64 40.14 2jfl n ILE 184 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 2jfl h GLN 185 N 0.00 0.91 -0.07 0.38 4.20 -1.50 -1.54 115.11 117.49 2jfl h GLN 185 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2jfl h GLN 185 Cb 0.00 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 2jfl h GLN 185 CO 0.00 0.60 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.63 2jfl h ARG 186 N 0.94 0.16 0.00 1.46 2.43 -0.91 -3.30 114.38 115.16 2jfl h ARG 186 Ca 0.31 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2jfl h ARG 186 Cb 0.07 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2jfl h ARG 186 CO -0.09 0.54 -0.44 0.00 -1.51 0.00 0.00 179.97 178.47 2jfl h ARG 187 N -0.24 0.00 -5.27 0.20 3.08 -1.76 -3.44 114.38 106.94 2jfl h ARG 187 Ca 0.01 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.62 2jfl h ARG 187 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2jfl h ARG 187 CO 0.01 0.44 1.50 -3.47 -1.07 0.00 0.00 179.97 177.38 2jfl n ASP 188 N -3.96 3.19 0.00 7.04 -0.08 -0.60 -5.10 116.55 117.04 2jfl n ASP 188 Ca -0.02 -2.72 0.00 0.00 -1.51 0.00 0.00 54.79 50.54 2jfl n ASP 188 Cb 0.47 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.32 2jfl n ASP 188 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2jfl n PHE 190 N 12.15 0.00 -4.14 -0.67 -1.74 -1.26 -5.11 117.46 116.69 2jfl n PHE 190 Ca 0.46 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 57.20 2jfl n PHE 190 Cb 0.45 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.33 2jfl n PHE 190 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2jfl s ILE 191 N -2.00 0.64 0.11 1.97 -1.09 -1.26 -5.10 121.20 114.47 2jfl s ILE 191 Ca 0.00 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 2jfl s ILE 191 Cb 0.00 -0.64 0.00 0.00 -1.58 0.00 0.00 42.46 40.24 2jfl s ILE 191 CO 0.00 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.13 2jfl n GLY 192 N 1.87 -1.74 3.67 6.18 0.00 -1.26 -4.85 105.19 109.06 2jfl n GLY 192 Ca -0.20 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 2jfl n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jfl s THR 193 N -1.77 4.89 -1.25 2.61 2.01 -1.26 -4.95 115.64 115.92 2jfl s THR 193 Ca 0.00 1.57 -0.07 0.00 0.31 0.00 0.00 61.69 63.50 2jfl s THR 193 Cb 0.00 -4.11 0.19 0.00 0.01 0.00 0.00 72.50 68.58 2jfl s THR 193 CO 0.00 0.03 1.94 -0.81 -0.69 0.00 0.00 174.62 175.09 2jfl n PRO 194 N 5.28 4.11 0.27 4.92 -0.04 -1.26 -4.75 135.00 143.53 2jfl n PRO 194 Ca 0.04 -3.73 0.13 0.00 -0.04 0.00 0.00 63.50 59.90 2jfl n PRO 194 Cb 0.49 -2.76 0.81 0.00 -0.04 0.00 0.00 33.50 32.00 2jfl n PRO 194 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jfl h TYR 195 N 5.31 0.00 -0.34 0.54 -1.99 -2.01 -2.79 116.97 115.70 2jfl h TYR 195 Ca 0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.18 2jfl h TYR 195 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 2jfl h TYR 195 CO 1.31 0.00 0.00 0.91 -0.00 0.00 0.00 178.16 180.38 2jfl n TRP 196 N -4.10 0.43 -2.87 4.88 8.01 -1.26 -4.96 117.44 117.57 2jfl n TRP 196 Ca -0.02 -0.22 -0.41 0.00 -1.31 0.00 0.00 57.50 55.54 2jfl n TRP 196 Cb 0.12 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.38 2jfl n TRP 196 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2jfl s MET 197 N -1.57 4.53 0.48 -0.99 1.75 -1.06 -5.00 119.30 117.45 2jfl s MET 197 Ca 0.37 1.19 -0.23 0.00 -1.25 0.00 0.00 55.69 55.77 2jfl s MET 197 Cb 0.21 -3.42 -0.07 0.00 2.84 0.00 0.00 34.83 34.39 2jfl s MET 197 CO 0.30 0.09 1.20 0.00 -0.65 0.00 0.00 175.02 175.97 2jfl s ALA 198 N 0.57 2.93 0.42 4.11 0.00 -1.26 -4.81 121.76 123.72 2jfl s ALA 198 Ca 0.44 1.02 0.22 0.00 0.00 0.00 0.00 51.96 53.63 2jfl s ALA 198 Cb -0.20 -3.42 1.24 0.00 0.00 0.00 0.00 23.12 20.73 2jfl s ALA 198 CO 0.24 -0.81 2.03 -1.35 0.00 0.00 0.00 175.76 175.86 2jfl h PRO 199 N 1.89 0.00 0.00 0.00 0.11 -1.98 -0.49 132.00 131.53 2jfl h PRO 199 Ca -0.50 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2jfl h PRO 199 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2jfl h PRO 199 CO 0.59 0.16 -0.35 1.05 -0.21 0.00 0.00 178.00 179.25 2jfl h GLU 200 N 0.00 0.00 0.22 1.05 9.09 -1.91 0.11 114.58 123.14 2jfl h GLU 200 Ca -0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 2jfl h GLU 200 Cb 0.35 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.49 2jfl h GLU 200 CO 0.02 0.35 -1.42 0.28 0.05 0.00 0.00 179.01 178.29 2jfl h VAL 201 N 0.00 1.30 -0.41 -1.06 2.07 -1.49 0.30 116.25 116.96 2jfl h VAL 201 Ca -0.00 -2.69 0.03 0.00 0.82 0.00 0.00 66.70 64.85 2jfl h VAL 201 Cb 0.90 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 2jfl h VAL 201 CO 0.05 0.81 0.21 0.58 0.02 0.00 0.00 177.57 179.23 2jfl h VAL 202 N 0.16 0.99 -0.05 2.57 2.07 -1.00 -2.94 116.25 118.06 2jfl h VAL 202 Ca -0.24 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2jfl h VAL 202 Cb 2.11 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2jfl h VAL 202 CO 0.27 0.08 0.00 0.23 0.02 0.00 0.00 177.57 178.16 2jfl n MET 203 N -4.91 1.19 -3.55 1.57 2.81 0.38 -4.91 117.12 109.71 2jfl n MET 203 Ca 0.02 -0.29 -0.22 0.00 -1.81 0.00 0.00 57.70 55.40 2jfl n MET 203 Cb 0.09 -1.29 0.08 0.00 -0.71 0.00 0.00 33.22 31.40 2jfl n MET 203 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jfl n GLU 205 N -4.74 3.25 -1.70 0.00 -0.58 0.10 -4.73 120.64 112.24 2jfl n GLU 205 Ca -0.08 -4.01 -0.29 0.00 -0.42 0.00 0.00 57.16 52.35 2jfl n GLU 205 Cb 0.59 -2.15 0.10 0.00 -0.57 0.00 0.00 31.44 29.41 2jfl n GLU 205 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jfl s THR 206 N -4.36 2.42 0.51 2.62 -4.23 -1.22 -4.81 115.64 106.58 2jfl s THR 206 Ca 0.48 0.14 0.32 0.00 -1.18 0.00 0.00 61.69 61.45 2jfl s THR 206 Cb 0.40 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.60 2jfl s THR 206 CO 0.02 -0.18 2.20 0.77 -0.54 0.00 0.00 174.62 176.89 2jfl h SER 207 N -1.16 0.00 0.49 3.99 4.64 -1.95 -2.28 113.55 117.28 2jfl h SER 207 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 2jfl h SER 207 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2jfl h SER 207 CO 0.63 0.04 -0.33 0.11 -0.87 0.00 0.00 176.83 176.41 2jfl h LYS 208 N 0.00 0.00 0.00 4.77 6.56 -1.97 -3.25 116.57 122.68 2jfl h LYS 208 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jfl h LYS 208 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2jfl h LYS 208 CO 0.01 0.33 -1.24 -0.25 -2.06 0.00 0.00 179.45 176.24 2jfl n ASP 209 N -3.87 0.92 -4.87 0.86 8.00 -0.91 -4.97 116.55 111.72 2jfl n ASP 209 Ca -0.01 -0.48 -0.31 0.00 0.71 0.00 0.00 54.79 54.70 2jfl n ASP 209 Cb 0.41 1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 42.82 2jfl n ASP 209 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jfl s ARG 210 N -2.85 3.83 0.57 -1.24 0.52 -0.92 -4.97 118.95 113.88 2jfl s ARG 210 Ca 0.00 0.42 0.38 0.00 -0.52 0.00 0.00 55.73 56.02 2jfl s ARG 210 Cb 0.12 -2.49 2.01 0.00 0.52 0.00 0.00 34.95 35.11 2jfl s ARG 210 CO 0.70 0.12 2.16 -1.35 0.02 0.00 0.00 175.30 176.95 2jfl h PRO 211 N 1.85 0.00 -0.38 3.54 0.11 -1.93 -3.39 132.00 131.80 2jfl h PRO 211 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 2jfl h PRO 211 Cb 1.18 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 2jfl h PRO 211 CO 0.66 0.00 -0.55 -0.92 -0.21 0.00 0.00 178.00 176.97 2jfl h TYR 212 N 0.00 -1.69 -0.07 0.65 3.20 -1.94 -1.27 116.97 115.85 2jfl h TYR 212 Ca 0.00 0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 2jfl h TYR 212 Cb 0.06 0.79 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2jfl h TYR 212 CO 0.00 -0.49 -0.44 -0.44 -1.64 0.00 0.00 178.16 175.15 2jfl h ASP 213 N -0.42 0.17 0.35 -2.11 3.32 -1.85 -2.96 116.42 112.92 2jfl h ASP 213 Ca 0.07 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2jfl h ASP 213 Cb 0.60 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2jfl h ASP 213 CO -0.58 0.59 -0.39 1.88 -1.72 0.00 0.00 179.24 179.02 2jfl h TYR 214 N 0.13 0.06 0.00 4.55 -1.99 -1.61 -3.06 116.97 115.05 2jfl h TYR 214 Ca 0.01 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2jfl h TYR 214 Cb 0.83 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.55 2jfl h TYR 214 CO 0.01 0.43 0.00 0.87 -0.00 0.00 0.00 178.16 179.47 2jfl h LYS 215 N 0.04 0.00 -0.38 4.88 1.57 -1.08 -1.63 116.57 119.97 2jfl h LYS 215 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jfl h LYS 215 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 2jfl h LYS 215 CO 0.05 0.00 0.18 0.00 -0.57 0.00 0.00 179.45 179.11 2jfl h ALA 216 N 2.05 1.61 -0.18 3.86 0.00 -1.68 -1.68 119.26 123.23 2jfl h ALA 216 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jfl h ALA 216 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jfl h ALA 216 CO 0.00 0.32 -0.07 -0.44 0.00 0.00 0.00 179.25 179.06 2jfl h ASP 217 N 0.52 0.25 -0.41 0.00 3.32 -1.52 -2.86 116.42 115.72 2jfl h ASP 217 Ca 0.13 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2jfl h ASP 217 Cb 0.06 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2jfl h ASP 217 CO -0.02 0.36 0.00 0.58 -1.72 0.00 0.00 179.24 178.45 2jfl h VAL 218 N 0.26 1.26 -0.30 -1.35 2.07 -1.42 -1.11 116.25 115.66 2jfl h VAL 218 Ca 0.06 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2jfl h VAL 218 Cb 0.30 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2jfl h VAL 218 CO 0.01 0.34 0.18 -0.25 0.02 0.00 0.00 177.57 177.88 2jfl h TRP 219 N 0.55 0.34 -0.40 1.57 2.91 -1.48 -2.25 115.95 117.18 2jfl h TRP 219 Ca 0.12 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 2jfl h TRP 219 Cb 0.48 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 2jfl h TRP 219 CO 0.04 0.20 0.17 0.77 -1.03 0.00 0.00 178.44 178.59 2jfl h SER 220 N 0.37 0.51 -0.20 2.65 0.02 -1.39 -1.54 113.55 113.97 2jfl h SER 220 Ca 0.12 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2jfl h SER 220 Cb -0.01 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 2jfl h SER 220 CO -0.05 0.46 -0.09 0.25 -1.14 0.00 0.00 176.83 176.26 2jfl h LEU 221 N 0.57 -0.30 -0.66 5.07 5.85 -0.90 -1.01 115.31 123.93 2jfl h LEU 221 Ca 0.14 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.02 2jfl h LEU 221 Cb 0.10 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2jfl h LEU 221 CO -0.02 -0.12 0.32 1.23 -0.34 0.00 0.00 178.44 179.52 2jfl h GLY 222 N -0.06 0.97 1.06 3.75 0.00 -0.71 -1.48 103.07 106.60 2jfl h GLY 222 Ca 0.11 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2jfl h GLY 222 CO -0.24 0.06 0.08 -2.22 0.00 0.00 0.00 176.54 174.22 2jfl h ILE 223 N 0.56 1.26 -0.49 2.60 1.08 -1.24 -2.72 117.51 118.55 2jfl h ILE 223 Ca 0.32 -1.05 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 2jfl h ILE 223 Cb 0.33 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 2jfl h ILE 223 CO -0.26 0.39 0.22 0.74 -0.69 0.00 0.00 178.15 178.55 2jfl h THR 224 N 0.96 1.17 -0.39 -0.27 2.02 -0.68 0.20 112.91 115.93 2jfl h THR 224 Ca 0.19 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 2jfl h THR 224 Cb 0.46 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2jfl h THR 224 CO 0.02 0.21 0.09 -0.07 0.37 0.00 0.00 175.52 176.13 2jfl h LEU 225 N 0.69 0.61 -0.50 2.58 3.38 -1.05 0.72 115.31 121.74 2jfl h LEU 225 Ca 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2jfl h LEU 225 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2jfl h LEU 225 CO -0.02 0.69 0.19 0.40 0.09 0.00 0.00 178.44 179.79 2jfl h ILE 226 N 0.50 1.22 -0.85 1.22 2.04 -1.18 -0.46 117.51 120.00 2jfl h ILE 226 Ca 0.12 -0.69 0.11 0.00 1.00 0.00 0.00 64.86 65.40 2jfl h ILE 226 Cb 0.33 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2jfl h ILE 226 CO 0.00 0.26 0.49 -0.08 0.00 0.00 0.00 178.15 178.82 2jfl h GLU 227 N 0.68 0.76 0.00 2.37 4.81 -0.32 -0.55 114.58 122.33 2jfl h GLU 227 Ca 0.17 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 2jfl h GLU 227 Cb 0.22 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2jfl h GLU 227 CO -0.01 0.51 -0.56 0.52 -0.73 0.00 0.00 179.01 178.73 2jfl h MET 228 N 0.79 0.00 0.00 1.92 2.86 -0.60 0.23 114.93 120.13 2jfl h MET 228 Ca 0.42 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.98 2jfl h MET 228 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2jfl h MET 228 CO -0.27 0.56 -0.38 0.00 1.06 0.00 0.00 176.91 177.88 2jfl h ALA 229 N 1.44 0.85 0.00 6.32 0.00 -0.38 0.62 119.26 128.12 2jfl h ALA 229 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jfl h ALA 229 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jfl h ALA 229 CO 0.07 0.48 -0.07 0.39 0.00 0.00 0.00 179.25 180.11 2jfl n GLU 230 N -3.33 0.47 0.00 0.00 1.02 -0.28 -4.76 120.64 113.76 2jfl n GLU 230 Ca 0.01 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 2jfl n GLU 230 Cb 0.60 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 2jfl n GLU 230 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2jfl n ILE 231 N -0.12 0.00 -4.28 -3.67 5.41 0.80 -4.86 119.36 112.64 2jfl n ILE 231 Ca 0.01 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.49 2jfl n ILE 231 Cb 0.50 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.34 2jfl n ILE 231 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2jfl s GLU 232 N 0.00 2.14 0.68 0.38 2.02 -1.24 -4.76 118.70 117.92 2jfl s GLU 232 Ca 0.00 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 53.60 2jfl s GLU 232 Cb 0.00 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.04 2jfl s GLU 232 CO 0.00 0.42 1.06 -1.25 0.02 0.00 0.00 175.26 175.51 2jfl s PRO 233 N -3.00 3.11 0.33 0.39 0.04 -1.26 -4.24 135.00 130.36 2jfl s PRO 233 Ca 0.26 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 2jfl s PRO 233 Cb -0.08 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 2jfl s PRO 233 CO 0.16 -0.94 1.12 -2.30 0.04 0.00 0.00 177.00 175.09 2jfl n PRO 234 N -3.00 1.66 -1.13 0.56 -0.02 -1.26 -2.46 135.00 129.35 2jfl n PRO 234 Ca 0.07 0.58 -0.04 0.00 -2.02 0.00 0.00 63.50 62.09 2jfl n PRO 234 Cb 0.54 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2jfl n PRO 234 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2jfl n HIS 235 N 0.18 0.00 0.34 6.00 8.25 -1.26 -4.93 115.22 123.79 2jfl n HIS 235 Ca 0.08 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.76 2jfl n HIS 235 Cb 0.34 -1.19 1.20 0.00 1.12 0.00 0.00 29.99 31.46 2jfl n HIS 235 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2jfl h HIS 236 N 0.00 0.00 0.00 4.41 2.07 -1.86 -2.37 115.15 117.40 2jfl h HIS 236 Ca -0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 2jfl h HIS 236 Cb 0.41 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.39 2jfl h HIS 236 CO 0.20 0.00 -0.43 -0.85 -3.07 0.00 0.00 177.93 173.78 2jfl n GLU 237 N -3.07 0.24 -1.97 5.12 0.00 -1.26 -4.91 120.64 114.78 2jfl n GLU 237 Ca -0.03 0.10 -0.32 0.00 0.00 0.00 0.00 57.16 56.92 2jfl n GLU 237 Cb 0.08 -1.69 0.01 0.00 0.00 0.00 0.00 31.44 29.84 2jfl n GLU 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2jfl s LEU 238 N -4.11 3.38 0.07 -1.84 1.43 -0.89 -4.99 118.68 111.73 2jfl s LEU 238 Ca 0.08 1.63 -0.35 0.00 -1.03 0.00 0.00 54.13 54.47 2jfl s LEU 238 Cb 0.14 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.71 2jfl s LEU 238 CO 0.68 -1.05 1.61 -3.20 0.23 0.00 0.00 176.35 174.62 2jfl n ASN 239 N -2.34 2.90 -0.24 2.29 2.85 -1.26 -4.86 115.26 114.60 2jfl n ASN 239 Ca 0.07 1.06 0.29 0.00 -0.11 0.00 0.00 54.58 55.90 2jfl n ASN 239 Cb 0.53 -1.36 0.69 0.00 1.24 0.00 0.00 39.78 40.88 2jfl n ASN 239 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2jfl h PRO 240 N 6.48 0.07 0.00 1.20 0.11 -1.94 -0.45 132.00 137.48 2jfl h PRO 240 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jfl h PRO 240 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jfl h PRO 240 CO 0.89 0.05 -0.01 0.52 -0.21 0.00 0.00 178.00 179.24 2jfl h MET 241 N 0.08 0.00 0.00 1.05 2.86 -2.02 -2.93 114.93 113.97 2jfl h MET 241 Ca 0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 2jfl h MET 241 Cb 1.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.46 2jfl h MET 241 CO -0.05 0.01 -1.02 0.54 1.06 0.00 0.00 176.91 177.44 2jfl n ARG 242 N -3.25 0.32 -0.17 1.72 1.74 -0.18 -4.60 116.66 112.23 2jfl n ARG 242 Ca -0.03 0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 2jfl n ARG 242 Cb 0.10 -1.61 0.01 0.00 -1.02 0.00 0.00 32.46 29.94 2jfl n ARG 242 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jfl h VAL 243 N 0.00 1.19 -0.31 1.55 2.07 -1.59 -0.62 116.25 118.54 2jfl h VAL 243 Ca 0.00 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2jfl h VAL 243 Cb 0.76 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2jfl h VAL 243 CO 0.00 0.21 0.07 -0.07 0.02 0.00 0.00 177.57 177.80 2jfl h LEU 244 N 0.67 0.48 -0.44 2.57 4.07 -1.81 -0.69 115.31 120.15 2jfl h LEU 244 Ca 0.17 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 57.94 2jfl h LEU 244 Cb 0.11 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 2jfl h LEU 244 CO -0.02 0.60 0.17 0.25 -1.08 0.00 0.00 178.44 178.36 2jfl h LEU 245 N 0.35 0.21 -0.50 1.67 5.85 -1.80 -1.54 115.31 119.55 2jfl h LEU 245 Ca 0.10 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2jfl h LEU 245 Cb 0.31 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2jfl h LEU 245 CO 0.00 0.15 0.25 0.50 -0.34 0.00 0.00 178.44 179.00 2jfl h LYS 246 N 0.36 0.47 -0.11 1.25 1.63 -0.87 0.15 116.57 119.45 2jfl h LYS 246 Ca 0.20 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2jfl h LYS 246 Cb 0.17 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2jfl h LYS 246 CO -0.19 0.31 0.04 0.82 -3.45 0.00 0.00 179.45 176.98 2jfl h ILE 247 N 0.48 0.98 -0.32 2.00 2.04 -0.84 -1.64 117.51 120.22 2jfl h ILE 247 Ca 0.22 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.11 2jfl h ILE 247 Cb 0.14 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2jfl h ILE 247 CO -0.16 0.02 -0.11 0.00 0.00 0.00 0.00 178.15 177.90 2jfl h ALA 248 N 1.06 0.18 -0.07 1.87 0.00 -0.92 -3.22 119.26 118.15 2jfl h ALA 248 Ca 0.05 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2jfl h ALA 248 Cb 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jfl h ALA 248 CO -0.04 -0.49 -0.70 0.87 0.00 0.00 0.00 179.25 178.89 2jfl h LYS 249 N -0.04 0.35 -6.62 0.00 1.57 -0.60 -3.47 116.57 107.75 2jfl h LYS 249 Ca 0.16 -0.28 -0.51 0.00 -1.87 0.00 0.00 60.65 58.15 2jfl h LYS 249 Cb 0.28 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2jfl h LYS 249 CO -0.35 0.92 -0.01 -1.12 -0.57 0.00 0.00 179.45 178.31 2jfl s SER 250 N -6.95 6.58 0.88 0.86 0.01 -0.62 -5.07 113.70 109.38 2jfl s SER 250 Ca -0.05 1.00 -0.12 0.00 1.31 0.00 0.00 55.95 58.09 2jfl s SER 250 Cb 0.11 -2.26 0.10 0.00 0.21 0.00 0.00 66.02 64.18 2jfl s SER 250 CO 0.83 -0.22 1.05 -0.62 0.41 0.00 0.00 173.24 174.68 2jfl n GLU 251 N -0.71 -0.19 -1.71 12.44 -0.58 -1.26 -4.93 120.64 123.70 2jfl n GLU 251 Ca 0.01 0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.38 2jfl n GLU 251 Cb 0.53 -2.31 0.04 0.00 -0.57 0.00 0.00 31.44 29.13 2jfl n GLU 251 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jfl n PRO 252 N -3.46 1.48 -1.84 3.49 -0.02 -1.26 -4.94 135.00 128.45 2jfl n PRO 252 Ca 0.12 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 2jfl n PRO 252 Cb 0.52 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2jfl n PRO 252 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jfl s PRO 253 N -2.80 2.89 0.32 0.52 0.04 -1.26 -5.07 135.00 129.63 2jfl s PRO 253 Ca 0.72 1.43 0.04 0.00 0.04 0.00 0.00 61.00 63.24 2jfl s PRO 253 Cb -0.43 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 2jfl s PRO 253 CO 0.49 -1.19 0.04 0.95 0.04 0.00 0.00 177.00 177.33 2jfl s THR 254 N -2.24 1.29 0.23 1.26 -4.23 -1.26 -5.01 115.64 105.68 2jfl s THR 254 Ca 0.68 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.87 2jfl s THR 254 Cb -0.21 -2.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.78 2jfl s THR 254 CO 0.39 -0.05 1.46 -0.76 -0.54 0.00 0.00 174.62 175.11 2jfl s LEU 255 N -3.49 4.38 0.26 4.79 1.43 -1.26 -4.94 118.68 119.86 2jfl s LEU 255 Ca 0.35 2.63 -0.02 0.00 -1.03 0.00 0.00 54.13 56.06 2jfl s LEU 255 Cb 0.08 -3.62 0.34 0.00 0.03 0.00 0.00 46.19 43.03 2jfl s LEU 255 CO 0.15 -0.72 1.80 0.00 0.23 0.00 0.00 176.35 177.81 2jfl h ALA 256 N 5.45 1.15 -2.60 4.21 0.00 -1.99 -3.30 119.26 122.19 2jfl h ALA 256 Ca -0.45 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 53.63 2jfl h ALA 256 Cb 1.21 -0.22 -0.42 0.00 0.00 0.00 0.00 17.79 18.37 2jfl h ALA 256 CO 0.81 0.57 -0.63 1.04 0.00 0.00 0.00 179.25 181.04 2jfl n GLN 257 N -4.26 2.00 0.30 0.00 6.02 -1.26 -4.99 117.38 115.20 2jfl n GLN 257 Ca 0.04 -4.44 0.19 0.00 -0.01 0.00 0.00 57.00 52.78 2jfl n GLN 257 Cb 0.25 -2.19 1.02 0.00 1.02 0.00 0.00 30.24 30.33 2jfl n GLN 257 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2jfl h PRO 258 N 4.79 0.00 0.00 -1.09 0.13 -1.96 -1.97 132.00 131.90 2jfl h PRO 258 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 2jfl h PRO 258 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2jfl h PRO 258 CO 0.74 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 179.05 2jfl h SER 259 N 0.00 0.00 0.68 1.44 4.64 -1.94 -2.72 113.55 115.65 2jfl h SER 259 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jfl h SER 259 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2jfl h SER 259 CO -0.00 0.12 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 2jfl n ARG 260 N -3.76 0.17 -4.33 4.77 1.74 -0.74 -4.86 116.66 109.65 2jfl n ARG 260 Ca -0.02 0.40 -0.21 0.00 -0.77 0.00 0.00 57.85 57.26 2jfl n ARG 260 Cb 0.23 -1.82 -0.11 0.00 -1.02 0.00 0.00 32.46 29.74 2jfl n ARG 260 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jfl s TRP 261 N -3.28 1.77 0.65 -1.55 0.52 -1.03 -4.98 118.94 111.04 2jfl s TRP 261 Ca 0.04 -0.49 -0.11 0.00 0.02 0.00 0.00 56.10 55.56 2jfl s TRP 261 Cb 0.09 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.51 2jfl s TRP 261 CO 0.37 0.33 1.04 -1.54 0.02 0.00 0.00 176.95 177.17 2jfl s SER 262 N -2.77 5.95 0.48 2.95 1.04 -1.26 -4.90 113.70 115.18 2jfl s SER 262 Ca 0.16 1.45 0.13 0.00 0.48 0.00 0.00 55.95 58.17 2jfl s SER 262 Cb -0.05 -2.44 1.12 0.00 0.10 0.00 0.00 66.02 64.76 2jfl s SER 262 CO 0.06 -1.06 2.11 0.77 0.98 0.00 0.00 173.24 176.11 2jfl h SER 263 N -0.45 0.16 -0.07 7.02 4.64 -1.98 -1.36 113.55 121.50 2jfl h SER 263 Ca -0.44 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.67 2jfl h SER 263 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2jfl h SER 263 CO 0.61 0.12 -0.71 0.78 -0.87 0.00 0.00 176.83 176.76 2jfl h ASN 264 N 0.18 0.83 0.52 4.97 2.35 -1.98 0.40 115.58 122.85 2jfl h ASN 264 Ca 0.05 -0.52 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 2jfl h ASN 264 Cb -0.01 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.12 2jfl h ASN 264 CO -0.01 1.30 -0.25 0.15 -1.65 0.00 0.00 177.43 176.97 2jfl h PHE 265 N 0.50 -0.64 -0.70 1.19 3.04 -1.85 -1.43 116.94 117.05 2jfl h PHE 265 Ca -0.03 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.92 2jfl h PHE 265 Cb 1.32 0.21 -0.04 0.00 2.56 0.00 0.00 35.95 40.01 2jfl h PHE 265 CO 0.07 -0.38 0.47 0.87 -2.02 0.00 0.00 178.31 177.32 2jfl h LYS 266 N -0.74 0.89 -0.09 1.11 1.57 -1.21 -1.75 116.57 116.36 2jfl h LYS 266 Ca -0.07 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.42 2jfl h LYS 266 Cb 0.55 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2jfl h LYS 266 CO 0.12 0.59 -0.87 0.22 -0.57 0.00 0.00 179.45 178.94 2jfl h ASP 267 N 0.92 0.87 -0.28 0.86 1.82 -0.92 -2.82 116.42 116.87 2jfl h ASP 267 Ca 0.27 -0.62 0.03 0.00 -0.39 0.00 0.00 57.03 56.31 2jfl h ASP 267 Cb -0.05 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.67 2jfl h ASP 267 CO -0.06 1.41 0.11 0.15 -1.61 0.00 0.00 179.24 179.24 2jfl h PHE 268 N 0.46 0.19 -0.97 0.28 3.57 -0.89 -2.74 116.94 116.84 2jfl h PHE 268 Ca -0.08 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.56 2jfl h PHE 268 Cb 1.50 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 40.11 2jfl h PHE 268 CO 0.09 0.09 0.60 -0.07 -2.23 0.00 0.00 178.31 176.79 2jfl h LEU 269 N 0.24 0.87 -1.33 0.59 3.38 -1.31 -2.17 115.31 115.57 2jfl h LEU 269 Ca 0.12 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2jfl h LEU 269 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2jfl h LEU 269 CO -0.11 0.45 -0.28 0.11 0.09 0.00 0.00 178.44 178.69 2jfl h LYS 270 N 0.94 0.00 0.00 1.13 6.56 -1.23 0.29 116.57 124.26 2jfl h LYS 270 Ca 0.49 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.97 2jfl h LYS 270 Cb 0.51 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.15 2jfl h LYS 270 CO -0.28 0.28 -0.52 0.87 -2.06 0.00 0.00 179.45 177.75 2jfl h LYS 271 N 0.00 0.00 0.04 3.15 1.79 -1.17 -3.34 116.57 117.04 2jfl h LYS 271 Ca -0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2jfl h LYS 271 Cb 0.65 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 2jfl h LYS 271 CO 0.04 0.52 -0.92 0.00 -1.08 0.00 0.00 179.45 178.00 2jfl n LEU 273 N -4.31 6.35 -3.79 0.00 4.77 0.98 -3.85 117.00 117.16 2jfl n LEU 273 Ca -0.23 -4.92 -0.25 0.00 -0.03 0.00 0.00 56.01 50.59 2jfl n LEU 273 Cb 0.70 -1.40 -0.17 0.00 -2.33 0.00 0.00 43.42 40.22 2jfl n LEU 273 CO 0.32 1.47 -0.39 -0.70 -1.33 0.00 0.00 177.39 176.75 2jfl s GLU 274 N -1.08 0.79 0.31 3.23 2.56 -1.26 -4.76 118.70 118.50 2jfl s GLU 274 Ca 0.35 -0.09 0.09 0.00 0.00 0.00 0.00 54.97 55.33 2jfl s GLU 274 Cb 0.05 -1.37 0.52 0.00 2.00 0.00 0.00 34.13 35.33 2jfl s GLU 274 CO 0.04 -0.38 1.72 0.87 -0.56 0.00 0.00 175.26 176.95 2jfl h LYS 275 N 8.28 0.10 -6.33 4.30 1.57 -1.95 -3.40 116.57 119.14 2jfl h LYS 275 Ca -0.21 -0.05 -0.55 0.00 -1.87 0.00 0.00 60.65 57.98 2jfl h LYS 275 Cb 1.12 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 2jfl h LYS 275 CO 0.30 0.54 1.17 1.21 -0.57 0.00 0.00 179.45 182.10 2jfl s ASN 276 N -6.89 5.98 0.25 0.86 3.84 -1.26 -4.87 114.94 112.84 2jfl s ASN 276 Ca -0.03 0.54 -0.06 0.00 0.21 0.00 0.00 52.86 53.52 2jfl s ASN 276 Cb 0.14 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.56 2jfl s ASN 276 CO 0.75 -1.78 1.88 0.58 -2.79 0.00 0.00 177.10 175.74 2jfl h VAL 277 N 6.54 1.25 -0.75 -5.21 2.07 -1.94 -0.89 116.25 117.33 2jfl h VAL 277 Ca -0.28 -0.60 0.06 0.00 0.82 0.00 0.00 66.70 66.71 2jfl h VAL 277 Cb 1.12 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2jfl h VAL 277 CO 1.15 0.28 0.49 0.44 0.02 0.00 0.00 177.57 179.94 2jfl h ASP 278 N 1.24 0.70 1.46 0.57 3.32 -1.94 -2.71 116.42 119.06 2jfl h ASP 278 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2jfl h ASP 278 Cb -0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2jfl h ASP 278 CO -0.05 0.46 -0.52 0.00 -1.72 0.00 0.00 179.24 177.40 2jfl h ALA 279 N 1.59 0.74 -2.85 3.45 0.00 -1.59 -3.46 119.26 117.14 2jfl h ALA 279 Ca 0.32 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.71 2jfl h ALA 279 Cb 0.23 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.09 2jfl h ALA 279 CO -0.11 0.00 0.59 0.50 0.00 0.00 0.00 179.25 180.24 2jfl s ARG 280 N -3.29 4.16 0.48 0.00 3.52 -0.54 -4.98 118.95 118.30 2jfl s ARG 280 Ca 0.03 2.10 -0.20 0.00 -0.13 0.00 0.00 55.73 57.53 2jfl s ARG 280 Cb 0.08 -2.88 -0.09 0.00 -1.56 0.00 0.00 34.95 30.50 2jfl s ARG 280 CO 0.73 -0.31 1.03 -1.58 -0.81 0.00 0.00 175.30 174.36 2jfl s TRP 281 N -1.24 3.04 0.67 5.12 0.52 -0.63 -4.98 118.94 121.45 2jfl s TRP 281 Ca 0.53 1.58 -0.11 0.00 0.02 0.00 0.00 56.10 58.13 2jfl s TRP 281 Cb -0.37 -3.04 0.00 0.00 -1.15 0.00 0.00 33.47 28.91 2jfl s TRP 281 CO 0.48 -0.74 1.06 0.95 0.02 0.00 0.00 176.95 178.72 2jfl s THR 282 N -1.99 3.80 0.31 2.01 -4.23 -1.26 -4.91 115.64 109.36 2jfl s THR 282 Ca 0.66 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.69 2jfl s THR 282 Cb -0.16 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.39 2jfl s THR 282 CO 0.19 -0.73 1.95 0.71 -0.54 0.00 0.00 174.62 176.20 2jfl h THR 283 N -0.52 1.15 -0.10 3.99 1.35 -1.96 -1.20 112.91 115.63 2jfl h THR 283 Ca -0.45 -0.36 0.04 0.00 -0.55 0.00 0.00 66.41 65.09 2jfl h THR 283 Cb 1.24 -0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.61 2jfl h THR 283 CO 0.63 0.19 -0.21 -1.28 -0.25 0.00 0.00 175.52 174.61 2jfl h SER 284 N 1.06 -0.63 -0.49 5.36 0.87 -1.94 -2.20 113.55 115.58 2jfl h SER 284 Ca 0.33 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 2jfl h SER 284 Cb -0.00 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2jfl h SER 284 CO -0.09 -0.26 0.27 1.56 -0.53 0.00 0.00 176.83 177.78 2jfl h GLN 285 N -0.28 0.68 0.00 2.24 4.20 -1.81 -3.06 115.11 117.08 2jfl h GLN 285 Ca 0.09 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2jfl h GLN 285 Cb 0.41 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2jfl h GLN 285 CO -0.26 0.53 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.31 2jfl h LEU 286 N 0.65 0.00 -2.28 1.46 3.38 -1.06 -2.21 115.31 115.25 2jfl h LEU 286 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2jfl h LEU 286 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jfl h LEU 286 CO -0.03 0.05 -0.01 -0.07 0.09 0.00 0.00 178.44 178.47 2jfl h LEU 287 N 0.00 0.00 -0.72 1.67 3.38 -1.29 -1.57 115.31 116.78 2jfl h LEU 287 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jfl h LEU 287 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jfl h LEU 287 CO 0.01 0.01 -0.19 0.00 0.09 0.00 0.00 178.44 178.35 2jfl n GLN 288 N -3.15 1.16 -2.54 1.13 6.02 -0.83 -4.83 117.38 114.33 2jfl n GLN 288 Ca -0.01 -0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 55.84 2jfl n GLN 288 Cb 0.18 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 2jfl n GLN 288 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2jfl s HIS 289 N -2.34 3.65 0.57 1.08 2.46 -0.59 -4.95 115.29 115.17 2jfl s HIS 289 Ca 0.28 1.67 0.30 0.00 0.47 0.00 0.00 55.06 57.77 2jfl s HIS 289 Cb 0.20 -3.23 1.79 0.00 -0.13 0.00 0.00 32.58 31.21 2jfl s HIS 289 CO 0.46 -0.43 2.24 -1.00 -2.47 0.00 0.00 174.74 173.55 2jfl h PRO 290 N 4.76 0.00 -0.13 2.88 0.13 -1.91 -2.21 132.00 135.51 2jfl h PRO 290 Ca -0.45 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2jfl h PRO 290 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jfl h PRO 290 CO 0.71 0.01 0.10 0.35 -0.23 0.00 0.00 178.00 178.94 2jfl h PHE 291 N 0.00 0.00 -0.54 1.56 3.57 -1.93 -2.02 116.94 117.59 2jfl h PHE 291 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jfl h PHE 291 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2jfl h PHE 291 CO 0.00 0.00 0.00 1.33 -2.23 0.00 0.00 178.31 177.41 2jfl n VAL 292 N -4.34 1.06 -2.08 1.41 0.24 -0.84 -4.74 118.33 109.04 2jfl n VAL 292 Ca 0.00 -1.02 -0.42 0.00 -2.04 0.00 0.00 64.34 60.85 2jfl n VAL 292 Cb 0.22 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 2jfl n VAL 292 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2jfl n THR 293 N 1.05 3.68 -4.14 3.34 -2.24 -0.76 -4.86 114.28 110.34 2jfl n THR 293 Ca 0.18 -3.49 -0.15 0.00 -2.27 0.00 0.00 64.05 58.33 2jfl n THR 293 Cb 0.54 -2.50 -0.11 0.00 -2.10 0.00 0.00 70.33 66.16 2jfl n THR 293 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2jfl s VAL 294 N 3.45 0.85 0.00 2.28 -7.23 -1.26 -5.06 120.40 113.42 2jfl s VAL 294 Ca 0.49 -1.44 0.13 0.00 -1.81 0.00 0.00 61.98 59.35 2jfl s VAL 294 Cb 0.10 -1.12 0.21 0.00 0.56 0.00 0.00 36.38 36.13 2jfl s VAL 294 CO -0.02 -0.46 1.04 -0.90 -0.31 0.00 0.00 175.10 174.45 2jfl n ASP 295 N 0.91 0.35 -3.85 4.85 5.75 -1.26 -5.07 116.55 118.22 2jfl n ASP 295 Ca -0.19 -1.92 -0.13 0.00 -0.01 0.00 0.00 54.79 52.55 2jfl n ASP 295 Cb 0.56 -0.16 -0.14 0.00 -1.03 0.00 0.00 41.12 40.35 2jfl n ASP 295 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2jfl s SER 296 N -1.41 0.03 -0.02 -1.12 0.15 -1.26 -5.04 113.70 105.03 2jfl s SER 296 Ca 0.17 0.01 0.22 0.00 0.70 0.00 0.00 55.95 57.04 2jfl s SER 296 Cb 0.19 -0.02 0.66 0.00 -1.71 0.00 0.00 66.02 65.15 2jfl s SER 296 CO -0.08 -0.03 1.56 -0.46 1.20 0.00 0.00 173.24 175.43 2jfl n ASN 297 N 3.31 4.08 -0.31 5.45 0.23 -1.26 -4.66 115.26 122.10 2jfl n ASN 297 Ca -0.15 -2.07 0.08 0.00 -0.53 0.00 0.00 54.58 51.91 2jfl n ASN 297 Cb 0.58 -0.51 0.24 0.00 -2.08 0.00 0.00 39.78 38.01 2jfl n ASN 297 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2jfl h LYS 298 N 4.29 0.65 -0.82 -3.83 3.64 -1.95 0.93 116.57 119.48 2jfl h LYS 298 Ca 0.00 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2jfl h LYS 298 Cb 1.06 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 2jfl h LYS 298 CO 0.04 0.43 0.53 -1.35 -2.27 0.00 0.00 179.45 176.83 2jfl h PRO 299 N 0.66 0.85 -0.09 1.90 0.11 -1.90 -1.44 132.00 132.10 2jfl h PRO 299 Ca 0.48 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.35 2jfl h PRO 299 Cb 0.68 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2jfl h PRO 299 CO -0.36 0.56 -0.75 0.82 -0.21 0.00 0.00 178.00 178.07 2jfl h ILE 300 N 0.88 1.35 -0.55 4.15 1.08 -1.18 -2.34 117.51 120.91 2jfl h ILE 300 Ca 0.36 -2.11 0.01 0.00 -0.39 0.00 0.00 64.86 62.73 2jfl h ILE 300 Cb 0.26 2.09 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 2jfl h ILE 300 CO -0.13 0.64 0.36 0.03 -0.69 0.00 0.00 178.15 178.36 2jfl h ARG 301 N 0.34 0.69 -0.31 2.37 3.08 -0.72 -0.82 114.38 119.01 2jfl h ARG 301 Ca -0.04 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 2jfl h ARG 301 Cb 1.34 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2jfl h ARG 301 CO 0.13 0.46 -0.32 0.93 -1.07 0.00 0.00 179.97 180.10 2jfl h GLU 302 N 0.71 0.77 0.10 0.04 5.08 -1.16 -2.18 114.58 117.94 2jfl h GLU 302 Ca 0.20 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2jfl h GLU 302 Cb -0.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2jfl h GLU 302 CO -0.05 1.03 -0.05 1.25 -1.00 0.00 0.00 179.01 180.20 2jfl h LEU 303 N 0.53 -0.12 -1.09 1.33 5.85 -0.97 -2.71 115.31 118.13 2jfl h LEU 303 Ca 0.05 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2jfl h LEU 303 Cb 0.90 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2jfl h LEU 303 CO 0.08 0.07 -0.04 0.16 -0.34 0.00 0.00 178.44 178.37 2jfl h ILE 304 N -0.30 0.08 -0.23 4.05 -2.65 -1.22 -2.23 117.51 115.00 2jfl h ILE 304 Ca -0.01 -0.72 -0.16 0.00 1.03 0.00 0.00 64.86 64.99 2jfl h ILE 304 Cb 0.25 1.66 -0.00 0.00 -2.05 0.00 0.00 36.82 36.68 2jfl h ILE 304 CO 0.02 0.03 -0.53 0.00 0.03 0.00 0.00 178.15 177.71 2jfl h ALA 305 N 1.96 0.64 -0.24 0.16 0.00 -1.32 -1.77 119.26 118.69 2jfl h ALA 305 Ca -0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2jfl h ALA 305 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jfl h ALA 305 CO 0.00 0.68 -0.44 1.49 0.00 0.00 0.00 179.25 180.98 2jfl h GLU 306 N 0.52 0.60 0.00 0.00 4.81 -1.10 -2.44 114.58 116.96 2jfl h GLU 306 Ca 0.02 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2jfl h GLU 306 Cb 1.09 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2jfl h GLU 306 CO 0.11 0.93 0.00 0.00 -0.73 0.00 0.00 179.01 179.31 2jfl n ALA 307 N -2.51 2.10 -0.12 2.92 0.00 -0.89 -5.11 120.51 116.90 2jfl n ALA 307 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2jfl n ALA 307 Cb 0.54 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2jfl n ALA 307 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86