#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2flj h LYS 2 N 0.00 0.27 0.00 1.45 1.57 -2.00 -1.46 116.57 116.40 2flj h LYS 2 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2flj h LYS 2 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2flj h LYS 2 CO 0.00 0.18 0.00 -0.85 -0.57 0.00 0.00 179.45 178.21 2flj n GLU 3 N -4.45 0.01 -0.07 3.15 0.00 -1.26 -0.87 120.64 117.16 2flj n GLU 3 Ca 0.10 0.50 0.09 0.00 0.00 0.00 0.00 57.16 57.85 2flj n GLU 3 Cb 0.46 -1.55 0.11 0.00 0.00 0.00 0.00 31.44 30.47 2flj n GLU 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2flj n PHE 4 N -1.58 0.18 -1.91 -1.84 3.72 -0.55 -4.99 117.46 110.50 2flj n PHE 4 Ca 0.00 -0.13 -0.40 0.00 -0.05 0.00 0.00 57.45 56.88 2flj n PHE 4 Cb 0.01 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2flj n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2flj s ALA 5 N -1.34 3.22 0.00 4.37 0.00 -0.05 -3.01 121.76 124.95 2flj s ALA 5 Ca 0.24 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2flj s ALA 5 Cb 0.16 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2flj s ALA 5 CO 0.23 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2flj n GLY 6 N 0.62 1.51 3.80 0.00 0.00 -0.23 -4.99 105.19 105.89 2flj n GLY 6 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2flj n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2flj s ILE 7 N -3.61 4.64 -0.32 -0.61 1.01 -1.16 -5.00 121.20 116.15 2flj s ILE 7 Ca 0.00 1.33 -0.07 0.00 0.00 0.00 0.00 60.65 61.91 2flj s ILE 7 Cb 0.00 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.54 2flj s ILE 7 CO 0.00 0.52 0.10 -0.54 0.00 0.00 0.00 174.94 175.02 2flj s LYS 8 N -1.20 2.88 -0.12 2.79 1.02 -1.26 -4.23 119.74 119.62 2flj s LYS 8 Ca 0.32 -1.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.28 2flj s LYS 8 Cb -0.20 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 2flj s LYS 8 CO 0.21 -0.55 -0.01 0.71 -0.92 0.00 0.00 175.35 174.78 2flj s TYR 9 N 1.47 3.10 -0.07 3.18 2.02 -1.01 0.16 117.35 126.19 2flj s TYR 9 Ca 0.01 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 2flj s TYR 9 Cb -0.18 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 2flj s TYR 9 CO 0.03 0.24 -0.11 0.21 -1.57 0.00 0.00 175.55 174.35 2flj s LYS 10 N -0.31 2.76 -0.08 -0.62 2.20 0.77 -1.14 119.74 123.32 2flj s LYS 10 Ca 0.06 -0.63 -0.38 0.00 -0.36 0.00 0.00 55.97 54.65 2flj s LYS 10 Cb -0.12 -2.51 -0.16 0.00 -1.51 0.00 0.00 37.83 33.53 2flj s LYS 10 CO 0.02 0.56 1.55 -0.11 -0.36 0.00 0.00 175.35 177.02 2flj n LEU 11 N 2.50 2.10 -0.05 5.43 7.94 -0.16 0.16 117.00 134.92 2flj n LEU 11 Ca -0.18 1.09 -0.08 0.00 -1.11 0.00 0.00 56.01 55.73 2flj n LEU 11 Cb 0.53 -1.18 -0.04 0.00 0.53 0.00 0.00 43.42 43.25 2flj n LEU 11 CO 0.27 -0.70 -0.84 -0.67 -1.11 0.00 0.00 177.39 174.33 2flj n ASP 12 N 4.00 2.44 -3.44 1.96 2.03 0.70 -4.80 116.55 119.44 2flj n ASP 12 Ca 0.22 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.46 2flj n ASP 12 Cb 0.17 -0.21 -0.00 0.00 -0.72 0.00 0.00 41.12 40.36 2flj n ASP 12 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2flj s SER 13 N -5.29 -0.13 -0.03 1.67 1.04 -0.32 -4.98 113.70 105.66 2flj s SER 13 Ca -0.14 -0.86 -0.29 0.00 0.48 0.00 0.00 55.95 55.14 2flj s SER 13 Cb 0.04 0.78 0.10 0.00 0.10 0.00 0.00 66.02 67.04 2flj s SER 13 CO 0.22 -1.50 0.85 0.00 0.98 0.00 0.00 173.24 173.79 2flj s GLN 14 N -3.20 0.85 -0.02 4.02 -2.07 -1.26 0.99 119.66 118.97 2flj s GLN 14 Ca 0.13 -0.12 0.05 0.00 -1.82 0.00 0.00 55.36 53.60 2flj s GLN 14 Cb -0.05 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.25 2flj s GLN 14 CO 0.09 -0.33 -0.16 0.95 -1.32 0.00 0.00 175.29 174.52 2flj s THR 15 N -2.37 1.29 -1.31 3.63 -4.23 -0.34 -4.82 115.64 107.48 2flj s THR 15 Ca 0.00 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 2flj s THR 15 Cb -0.01 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.75 2flj s THR 15 CO -0.04 0.37 0.00 -3.20 -0.54 0.00 0.00 174.62 171.21 2flj n ASN 16 N 2.82 -4.44 0.09 3.99 5.15 -1.26 -2.25 115.26 119.36 2flj n ASN 16 Ca -0.16 0.16 -0.15 0.00 -0.60 0.00 0.00 54.58 53.84 2flj n ASN 16 Cb 0.54 -3.78 -0.10 0.00 -0.53 0.00 0.00 39.78 35.91 2flj n ASN 16 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2flj h PHE 17 N 0.00 0.56 -0.44 1.20 3.57 -1.87 -2.62 116.94 117.34 2flj h PHE 17 Ca -0.35 -0.36 -0.13 0.00 3.53 0.00 0.00 57.97 60.66 2flj h PHE 17 Cb 1.23 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2flj h PHE 17 CO 0.63 1.23 -0.24 1.49 -2.23 0.00 0.00 178.31 179.19 2flj h GLU 18 N 0.15 0.91 -0.89 1.11 4.81 -1.96 -1.20 114.58 117.50 2flj h GLU 18 Ca -0.11 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2flj h GLU 18 Cb 1.80 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 31.11 2flj h GLU 18 CO 0.19 1.05 0.54 0.93 -0.73 0.00 0.00 179.01 180.98 2flj h GLU 19 N 0.78 1.21 -0.36 1.92 3.07 -1.96 0.66 114.58 119.89 2flj h GLU 19 Ca 0.10 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2flj h GLU 19 Cb 0.80 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 2flj h GLU 19 CO 0.07 0.84 0.11 -0.92 -1.40 0.00 0.00 179.01 177.71 2flj h TYR 20 N 1.22 0.58 -0.86 4.33 3.20 -1.06 -0.54 116.97 123.85 2flj h TYR 20 Ca 0.32 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2flj h TYR 20 Cb -0.05 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 2flj h TYR 20 CO 0.00 0.57 0.56 0.00 -1.64 0.00 0.00 178.16 177.65 2flj h MET 21 N 0.43 1.14 -0.72 1.82 -0.00 -0.47 -1.57 114.93 115.56 2flj h MET 21 Ca 0.11 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.70 59.74 2flj h MET 21 Cb 0.27 -0.25 -0.03 0.00 -0.00 0.00 0.00 31.60 31.58 2flj h MET 21 CO -0.00 0.77 0.44 -0.22 -0.00 0.00 0.00 176.91 177.89 2flj h LYS 22 N 1.17 0.97 -1.01 -0.10 3.64 0.77 -0.83 116.57 121.18 2flj h LYS 22 Ca 0.31 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2flj h LYS 22 Cb -0.11 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.44 2flj h LYS 22 CO -0.07 0.68 0.66 0.00 -2.27 0.00 0.00 179.45 178.45 2flj h ALA 23 N 1.23 1.34 -0.37 5.00 0.00 -0.14 -1.70 119.26 124.62 2flj h ALA 23 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2flj h ALA 23 Cb -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.38 2flj h ALA 23 CO -0.05 0.56 0.00 0.44 0.00 0.00 0.00 179.25 180.20 2flj n ILE 24 N -4.44 0.95 -1.14 0.00 -5.35 -0.86 -4.91 119.36 103.62 2flj n ILE 24 Ca 0.14 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2flj n ILE 24 Cb 0.10 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 2flj n ILE 24 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2flj n GLY 25 N 0.81 0.52 3.72 3.28 0.00 -0.64 -4.90 105.19 107.99 2flj n GLY 25 Ca 0.14 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2flj n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2flj s VAL 26 N -2.00 3.57 0.94 1.61 1.01 -0.33 -4.99 120.40 120.21 2flj s VAL 26 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 2flj s VAL 26 Cb 0.00 -3.76 0.16 0.00 0.00 0.00 0.00 36.38 32.78 2flj s VAL 26 CO 0.00 0.12 1.11 -0.83 0.00 0.00 0.00 175.10 175.51 2flj s GLY 27 N 0.79 1.66 0.19 4.51 0.00 -1.26 -4.65 107.32 108.55 2flj s GLY 27 Ca 0.59 0.38 -0.13 0.00 0.00 0.00 0.00 44.72 45.56 2flj s GLY 27 CO 0.32 0.84 1.70 0.00 0.00 0.00 0.00 173.10 175.97 2flj h ALA 28 N -1.88 0.54 -0.07 3.20 0.00 -2.00 0.63 119.26 119.70 2flj h ALA 28 Ca -0.47 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 2flj h ALA 28 Cb 1.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2flj h ALA 28 CO 0.45 -0.34 -0.67 0.82 0.00 0.00 0.00 179.25 179.51 2flj h ILE 29 N 0.19 1.40 -0.20 0.00 2.04 -2.00 -3.01 117.51 115.93 2flj h ILE 29 Ca 0.26 -2.11 -0.12 0.00 1.00 0.00 0.00 64.86 63.89 2flj h ILE 29 Cb 0.37 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2flj h ILE 29 CO -0.37 0.63 -0.40 -0.33 0.00 0.00 0.00 178.15 177.68 2flj h GLU 30 N 0.20 0.45 -0.06 2.37 3.07 -1.73 -2.33 114.58 116.55 2flj h GLU 30 Ca -0.02 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2flj h GLU 30 Cb 1.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2flj h GLU 30 CO 0.11 0.78 0.02 0.00 -1.40 0.00 0.00 179.01 178.52 2flj h ARG 31 N 0.37 0.09 -0.03 2.33 3.08 -0.80 -1.95 114.38 117.48 2flj h ARG 31 Ca 0.03 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2flj h ARG 31 Cb 0.87 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2flj h ARG 31 CO 0.07 0.25 -0.08 0.87 -1.07 0.00 0.00 179.97 180.01 2flj h LYS 32 N -0.09 -0.13 -0.65 0.04 1.57 -1.44 -2.37 116.57 113.49 2flj h LYS 32 Ca 0.02 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 2flj h LYS 32 Cb 0.20 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.44 2flj h LYS 32 CO -0.00 -0.09 0.16 0.00 -0.57 0.00 0.00 179.45 178.95 2flj h ALA 33 N 0.87 0.81 -0.06 3.86 0.00 -1.38 -0.12 119.26 123.24 2flj h ALA 33 Ca 0.04 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2flj h ALA 33 Cb 0.19 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2flj h ALA 33 CO -0.11 -0.30 0.05 0.78 0.00 0.00 0.00 179.25 179.68 2flj h GLY 34 N 0.29 0.00 1.63 0.00 0.00 -0.84 0.19 103.07 104.33 2flj h GLY 34 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2flj h GLY 34 CO -0.43 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 176.96 2flj n LEU 35 N -4.38 0.23 0.01 3.11 4.77 -0.11 -3.05 117.00 117.57 2flj n LEU 35 Ca -0.01 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 2flj n LEU 35 Cb 0.15 -0.40 0.28 0.00 -2.33 0.00 0.00 43.42 41.13 2flj n LEU 35 CO 0.33 0.04 0.50 0.00 -1.33 0.00 0.00 177.39 176.92 2flj n ALA 36 N -1.52 3.31 -2.69 -1.18 0.00 0.65 -4.91 120.51 114.16 2flj n ALA 36 Ca 0.06 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 2flj n ALA 36 Cb 0.34 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 2flj n ALA 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2flj s LEU 37 N -3.20 4.22 -0.50 0.00 1.43 -1.17 -5.05 118.68 114.41 2flj s LEU 37 Ca 0.11 0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.80 2flj s LEU 37 Cb 0.17 -3.28 0.24 0.00 0.03 0.00 0.00 46.19 43.34 2flj s LEU 37 CO 0.68 -0.02 0.58 -1.20 0.23 0.00 0.00 176.35 176.62 2flj n SER 38 N -0.37 1.53 -4.68 2.29 7.64 -1.26 -5.04 113.62 113.72 2flj n SER 38 Ca -0.03 -2.95 -0.32 0.00 1.01 0.00 0.00 58.87 56.57 2flj n SER 38 Cb 0.53 -0.65 0.15 0.00 -1.01 0.00 0.00 64.21 63.23 2flj n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2flj s PRO 39 N -1.52 1.30 -0.13 1.43 0.04 -1.26 -4.54 135.00 130.33 2flj s PRO 39 Ca 0.36 1.66 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2flj s PRO 39 Cb 0.13 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.93 2flj s PRO 39 CO -0.09 -2.45 -0.22 0.08 0.04 0.00 0.00 177.00 174.36 2flj s VAL 40 N -2.40 2.06 0.25 -0.36 1.01 -0.73 -0.99 120.40 119.24 2flj s VAL 40 Ca 0.70 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.80 2flj s VAL 40 Cb -0.26 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2flj s VAL 40 CO 0.54 0.55 -0.13 0.27 0.00 0.00 0.00 175.10 176.33 2flj s ILE 41 N 0.70 2.84 -0.13 2.22 -4.36 -0.30 -0.73 121.20 121.44 2flj s ILE 41 Ca -0.10 -2.13 -0.29 0.00 -0.26 0.00 0.00 60.65 57.88 2flj s ILE 41 Cb -0.16 -2.47 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2flj s ILE 41 CO 0.01 -0.32 0.72 -0.70 0.24 0.00 0.00 174.94 174.88 2flj s GLU 42 N -3.37 0.95 -0.13 0.37 2.12 -0.95 -2.41 118.70 115.29 2flj s GLU 42 Ca 0.29 0.50 -0.07 0.00 0.36 0.00 0.00 54.97 56.05 2flj s GLU 42 Cb -0.06 0.45 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 2flj s GLU 42 CO 0.16 -0.24 0.11 -1.17 -0.54 0.00 0.00 175.26 173.58 2flj s LEU 43 N -0.65 4.22 0.02 2.70 2.96 -1.26 -1.75 118.68 124.92 2flj s LEU 43 Ca -0.07 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2flj s LEU 43 Cb -0.02 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2flj s LEU 43 CO 0.06 0.37 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.73 2flj s GLU 44 N -0.80 0.91 -0.31 1.98 2.02 0.35 -1.07 118.70 121.77 2flj s GLU 44 Ca 0.13 -0.60 -0.15 0.00 0.02 0.00 0.00 54.97 54.37 2flj s GLU 44 Cb -0.12 -0.89 -0.02 0.00 0.10 0.00 0.00 34.13 33.20 2flj s GLU 44 CO 0.03 0.23 0.34 0.14 0.02 0.00 0.00 175.26 176.02 2flj s VAL 45 N -0.62 5.19 0.00 2.63 -7.23 -1.26 -0.44 120.40 118.67 2flj s VAL 45 Ca 0.02 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 2flj s VAL 45 Cb -0.06 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2flj s VAL 45 CO 0.00 0.02 0.00 0.18 -0.31 0.00 0.00 175.10 175.00 2flj n LEU 46 N 5.32 0.00 -4.48 1.32 4.77 0.21 -4.97 117.00 119.17 2flj n LEU 46 Ca -0.10 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.40 2flj n LEU 46 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2flj n LEU 46 CO 0.38 -0.15 1.81 -0.90 -1.33 0.00 0.00 177.39 177.20 2flj n ASP 47 N -1.00 2.42 0.00 -1.43 5.75 -1.26 -4.22 116.55 116.81 2flj n ASP 47 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 2flj n ASP 47 Cb 0.00 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 38.76 2flj n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2flj n GLY 48 N 6.33 1.94 0.96 6.12 0.00 -1.26 -2.51 105.19 116.76 2flj n GLY 48 Ca 0.38 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.49 2flj n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2flj n ASP 49 N 10.43 2.83 -4.79 1.61 9.92 -1.26 -4.96 116.55 130.33 2flj n ASP 49 Ca 0.00 -1.92 -0.36 0.00 -0.53 0.00 0.00 54.79 51.98 2flj n ASP 49 Cb 0.00 -0.26 -0.06 0.00 -0.64 0.00 0.00 41.12 40.16 2flj n ASP 49 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2flj s LYS 50 N -1.48 4.37 0.28 -1.24 1.02 -1.04 -4.42 119.74 117.22 2flj s LYS 50 Ca 0.37 1.33 0.05 0.00 0.02 0.00 0.00 55.97 57.74 2flj s LYS 50 Cb 0.20 -2.57 -0.06 0.00 -0.52 0.00 0.00 37.83 34.88 2flj s LYS 50 CO 0.28 0.08 0.00 -0.06 -0.92 0.00 0.00 175.35 174.73 2flj s PHE 51 N -1.76 1.84 -0.16 3.18 0.08 -0.21 0.65 117.98 121.59 2flj s PHE 51 Ca 0.55 -0.87 -0.14 0.00 0.12 0.00 0.00 56.93 56.59 2flj s PHE 51 Cb -0.17 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.20 2flj s PHE 51 CO 0.22 0.08 0.43 0.21 -0.10 0.00 0.00 175.22 176.06 2flj s LYS 52 N -3.83 0.49 -0.06 0.44 2.20 0.42 -2.00 119.74 117.40 2flj s LYS 52 Ca 0.32 0.62 0.06 0.00 -0.36 0.00 0.00 55.97 56.61 2flj s LYS 52 Cb 0.06 0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2flj s LYS 52 CO 0.12 -0.07 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.28 2flj s LEU 53 N 0.37 2.07 0.17 5.43 1.43 -0.66 -0.49 118.68 126.99 2flj s LEU 53 Ca -0.01 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2flj s LEU 53 Cb -0.04 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2flj s LEU 53 CO -0.01 0.23 -0.14 0.42 0.23 0.00 0.00 176.35 177.09 2flj s THR 54 N -0.09 1.52 -0.05 5.49 -4.23 -0.72 -1.06 115.64 116.49 2flj s THR 54 Ca -0.06 -2.04 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 2flj s THR 54 Cb -0.14 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.87 2flj s THR 54 CO 0.04 -0.57 0.09 -0.55 -0.54 0.00 0.00 174.62 173.10 2flj s SER 55 N -3.03 0.51 -0.01 3.99 0.15 0.37 -2.24 113.70 113.44 2flj s SER 55 Ca 0.17 0.17 0.04 0.00 0.70 0.00 0.00 55.95 57.04 2flj s SER 55 Cb -0.01 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 2flj s SER 55 CO 0.04 -0.20 -0.14 -0.54 1.20 0.00 0.00 173.24 173.61 2flj s LYS 56 N 1.71 1.20 0.20 5.44 1.02 0.10 -0.09 119.74 129.31 2flj s LYS 56 Ca -0.02 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2flj s LYS 56 Cb -0.12 -1.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 2flj s LYS 56 CO -0.04 0.29 0.08 0.95 -0.92 0.00 0.00 175.35 175.71 2flj s THR 57 N -0.27 0.31 0.36 2.17 -4.23 0.21 -1.77 115.64 112.41 2flj s THR 57 Ca 0.04 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 2flj s THR 57 Cb -0.06 -2.37 0.16 0.00 1.34 0.00 0.00 72.50 71.57 2flj s THR 57 CO -0.00 -0.19 1.90 0.00 -0.54 0.00 0.00 174.62 175.79 2flj h ALA 58 N 2.62 1.43 -0.01 3.99 0.00 -2.00 -3.04 119.26 122.26 2flj h ALA 58 Ca -0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2flj h ALA 58 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2flj h ALA 58 CO 0.58 0.40 -0.64 0.44 0.00 0.00 0.00 179.25 180.04 2flj n ILE 59 N -4.29 0.00 -3.63 0.00 -6.64 -1.26 -4.96 119.36 98.57 2flj n ILE 59 Ca 0.01 -0.15 -0.11 0.00 -1.77 0.00 0.00 62.75 60.73 2flj n ILE 59 Cb 0.24 1.07 -0.07 0.00 -1.44 0.00 0.00 39.64 39.44 2flj n ILE 59 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 2flj s LYS 60 N -2.68 0.67 -0.13 6.28 2.20 -1.15 -5.14 119.74 119.79 2flj s LYS 60 Ca 0.15 0.84 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 2flj s LYS 60 Cb 0.17 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2flj s LYS 60 CO 0.67 -0.09 -0.22 -0.80 -0.36 0.00 0.00 175.35 174.55 2flj s ASN 61 N 0.48 3.09 0.18 1.43 0.02 -1.26 -0.62 114.94 118.26 2flj s ASN 61 Ca -0.00 -0.59 0.10 0.00 -1.02 0.00 0.00 52.86 51.35 2flj s ASN 61 Cb -0.05 -1.43 -0.04 0.00 0.02 0.00 0.00 41.25 39.75 2flj s ASN 61 CO -0.05 0.10 -0.17 -0.89 0.02 0.00 0.00 177.10 176.12 2flj s THR 62 N 0.67 2.80 -0.06 1.60 2.01 0.87 -4.98 115.64 118.55 2flj s THR 62 Ca -0.11 -1.80 -0.30 0.00 0.31 0.00 0.00 61.69 59.79 2flj s THR 62 Cb -0.16 -2.36 0.11 0.00 0.01 0.00 0.00 72.50 70.10 2flj s THR 62 CO 0.01 -0.09 0.94 -1.83 -0.69 0.00 0.00 174.62 172.96 2flj s GLU 63 N -2.69 0.72 -0.10 4.92 -1.05 -1.26 -0.48 118.70 118.76 2flj s GLU 63 Ca 0.22 -0.16 -0.22 0.00 -0.15 0.00 0.00 54.97 54.66 2flj s GLU 63 Cb -0.09 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 33.99 2flj s GLU 63 CO 0.12 -0.29 0.54 -0.59 0.95 0.00 0.00 175.26 175.99 2flj s PHE 64 N -2.51 -0.52 -0.09 4.83 -0.12 -0.23 -5.00 117.98 114.34 2flj s PHE 64 Ca 0.03 1.04 -0.01 0.00 -0.05 0.00 0.00 56.93 57.94 2flj s PHE 64 Cb -0.01 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 2flj s PHE 64 CO -0.06 -0.43 -0.02 0.99 -0.05 0.00 0.00 175.22 175.65 2flj s THR 65 N -0.66 4.13 0.14 -4.49 2.01 -1.26 -1.65 115.64 113.86 2flj s THR 65 Ca -0.08 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 2flj s THR 65 Cb -0.03 -2.73 0.04 0.00 0.01 0.00 0.00 72.50 69.79 2flj s THR 65 CO 0.05 0.60 0.46 0.72 -0.69 0.00 0.00 174.62 175.76 2flj s PHE 66 N -0.77 -0.27 -0.09 4.92 -0.71 -0.85 -4.96 117.98 115.26 2flj s PHE 66 Ca 0.12 -0.03 0.04 0.00 -1.04 0.00 0.00 56.93 56.02 2flj s PHE 66 Cb -0.11 0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 2flj s PHE 66 CO 0.02 -0.76 -0.21 0.15 -1.34 0.00 0.00 175.22 173.08 2flj s LYS 67 N -3.80 2.89 0.19 1.99 1.02 -1.26 -1.05 119.74 119.72 2flj s LYS 67 Ca 0.03 -0.82 -0.33 0.00 0.02 0.00 0.00 55.97 54.87 2flj s LYS 67 Cb 0.01 -2.34 -0.13 0.00 -0.52 0.00 0.00 37.83 34.85 2flj s LYS 67 CO -0.11 0.31 1.54 1.28 -0.92 0.00 0.00 175.35 177.45 2flj n LEU 68 N 3.18 3.22 0.00 3.17 4.77 -1.26 -1.64 117.00 128.44 2flj n LEU 68 Ca -0.18 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 2flj n LEU 68 Cb 0.52 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 2flj n LEU 68 CO 0.27 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2flj n GLY 69 N 3.00 1.22 3.40 -0.72 0.00 0.32 -4.96 105.19 107.45 2flj n GLY 69 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2flj n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2flj s GLU 70 N -0.09 3.47 0.27 1.61 2.12 -0.65 -4.91 118.70 120.52 2flj s GLU 70 Ca 0.00 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 2flj s GLU 70 Cb 0.00 -2.77 -0.10 0.00 0.26 0.00 0.00 34.13 31.52 2flj s GLU 70 CO 0.00 0.16 1.40 -2.00 -0.54 0.00 0.00 175.26 174.28 2flj s GLU 71 N 0.52 4.29 0.22 4.30 2.12 -1.26 -4.54 118.70 124.35 2flj s GLU 71 Ca -0.06 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.54 2flj s GLU 71 Cb -0.15 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 2flj s GLU 71 CO 0.03 -0.35 0.10 -0.59 -0.54 0.00 0.00 175.26 173.91 2flj s PHE 72 N -0.34 1.32 -0.16 5.30 -0.71 0.18 -4.95 117.98 118.62 2flj s PHE 72 Ca 0.56 -1.25 -0.18 0.00 -1.04 0.00 0.00 56.93 55.02 2flj s PHE 72 Cb -0.41 -0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.64 2flj s PHE 72 CO 0.46 -0.46 0.48 -0.51 -1.34 0.00 0.00 175.22 173.85 2flj s ASP 73 N -3.22 6.61 0.02 1.98 1.01 -1.26 -0.47 116.67 121.33 2flj s ASP 73 Ca 0.36 0.72 0.06 0.00 0.71 0.00 0.00 52.55 54.40 2flj s ASP 73 Cb 0.07 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 2flj s ASP 73 CO 0.11 -0.07 -0.17 -0.70 0.21 0.00 0.00 175.17 174.55 2flj s GLU 74 N 1.05 1.24 -0.27 8.23 2.12 0.19 -4.95 118.70 126.31 2flj s GLU 74 Ca 0.24 -0.77 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 2flj s GLU 74 Cb -0.15 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 2flj s GLU 74 CO 0.10 0.33 0.31 0.34 -0.54 0.00 0.00 175.26 175.79 2flj s ASP 75 N -0.91 6.18 0.82 -1.70 2.15 -1.26 0.21 116.67 122.17 2flj s ASP 75 Ca 0.05 0.20 -0.12 0.00 0.43 0.00 0.00 52.55 53.12 2flj s ASP 75 Cb -0.08 -2.18 0.08 0.00 -0.30 0.00 0.00 42.92 40.45 2flj s ASP 75 CO 0.01 -0.12 1.14 0.42 -0.17 0.00 0.00 175.17 176.45 2flj s THR 76 N 1.87 2.41 0.24 1.71 -4.23 0.89 -4.91 115.64 113.61 2flj s THR 76 Ca 0.12 0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.72 2flj s THR 76 Cb -0.16 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.86 2flj s THR 76 CO 0.10 -0.17 1.74 -0.07 -0.54 0.00 0.00 174.62 175.68 2flj h LEU 77 N -1.11 0.33 -0.17 4.79 -0.00 -1.97 -1.75 115.31 115.44 2flj h LEU 77 Ca -0.47 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2flj h LEU 77 Cb 1.31 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 2flj h LEU 77 CO 0.64 0.15 0.00 -0.90 -0.00 0.00 0.00 178.44 178.33 2flj n ASP 78 N -4.96 0.26 0.00 -0.43 5.75 -1.26 -4.90 116.55 111.00 2flj n ASP 78 Ca 0.13 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2flj n ASP 78 Cb 0.38 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 2flj n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2flj n GLY 79 N 1.02 0.96 3.92 6.12 0.00 -0.66 -5.07 105.19 111.48 2flj n GLY 79 Ca 0.23 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2flj n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2flj s ARG 80 N -0.27 3.32 -0.37 1.61 0.52 -1.26 -4.87 118.95 117.64 2flj s ARG 80 Ca 0.00 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.38 2flj s ARG 80 Cb 0.00 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.63 2flj s ARG 80 CO 0.00 0.48 0.20 0.21 0.02 0.00 0.00 175.30 176.21 2flj s LYS 81 N -3.49 2.80 0.44 3.54 2.20 -1.26 -0.08 119.74 123.89 2flj s LYS 81 Ca 0.34 -1.10 0.06 0.00 -0.36 0.00 0.00 55.97 54.91 2flj s LYS 81 Cb -0.10 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 2flj s LYS 81 CO 0.28 -0.70 0.07 0.14 -0.36 0.00 0.00 175.35 174.78 2flj s VAL 82 N 1.54 1.92 -0.29 4.02 -7.23 0.13 -4.94 120.40 115.54 2flj s VAL 82 Ca 0.02 -1.89 -0.10 0.00 -1.81 0.00 0.00 61.98 58.19 2flj s VAL 82 Cb -0.19 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 2flj s VAL 82 CO 0.06 0.00 0.15 -0.54 -0.31 0.00 0.00 175.10 174.47 2flj s LYS 83 N -3.82 3.57 0.16 4.82 1.02 -1.26 -0.64 119.74 123.58 2flj s LYS 83 Ca 0.31 -0.56 0.09 0.00 0.02 0.00 0.00 55.97 55.83 2flj s LYS 83 Cb 0.06 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2flj s LYS 83 CO 0.17 -0.31 -0.19 -1.12 -0.92 0.00 0.00 175.35 172.97 2flj s SER 84 N 1.66 2.73 0.01 2.83 0.01 0.38 -0.79 113.70 120.53 2flj s SER 84 Ca 0.06 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2flj s SER 84 Cb -0.16 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 2flj s SER 84 CO 0.07 -0.01 -0.03 -0.63 0.41 0.00 0.00 173.24 173.06 2flj s ILE 85 N -1.89 0.16 0.01 1.44 1.01 -0.82 0.48 121.20 121.59 2flj s ILE 85 Ca 0.15 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2flj s ILE 85 Cb -0.06 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 2flj s ILE 85 CO 0.07 -0.21 -0.03 -0.63 0.00 0.00 0.00 174.94 174.13 2flj s ILE 86 N -0.71 0.24 0.24 2.92 1.01 -1.26 -1.13 121.20 122.51 2flj s ILE 86 Ca -0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 2flj s ILE 86 Cb -0.05 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 2flj s ILE 86 CO -0.00 -0.12 0.32 0.42 0.00 0.00 0.00 174.94 175.56 2flj s THR 87 N -0.53 0.00 0.07 2.92 -4.23 -0.72 0.12 115.64 113.27 2flj s THR 87 Ca -0.04 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 2flj s THR 87 Cb -0.04 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2flj s THR 87 CO -0.00 0.00 0.23 -1.58 -0.54 0.00 0.00 174.62 172.73 2flj s GLN 88 N -3.93 3.45 -0.42 3.99 0.74 -1.26 -0.41 119.66 121.82 2flj s GLN 88 Ca 0.31 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.31 2flj s GLN 88 Cb 0.03 -3.02 0.14 0.00 1.10 0.00 0.00 33.01 31.26 2flj s GLN 88 CO 0.13 0.59 0.24 0.34 -0.55 0.00 0.00 175.29 176.04 2flj s ASP 89 N -2.57 3.34 0.00 6.67 2.15 -0.62 -4.89 116.67 120.75 2flj s ASP 89 Ca 0.35 -2.55 0.00 0.00 0.43 0.00 0.00 52.55 50.79 2flj s ASP 89 Cb -0.13 -0.82 0.00 0.00 -0.30 0.00 0.00 42.92 41.67 2flj s ASP 89 CO 0.28 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 2flj n GLY 90 N 3.62 -0.85 0.22 2.66 0.00 -1.26 -3.88 105.19 105.70 2flj n GLY 90 Ca 0.11 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.55 2flj n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2flj h PRO 91 N 0.00 0.00 -0.01 1.61 0.13 -2.03 -3.35 132.00 128.36 2flj h PRO 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2flj h PRO 91 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2flj h PRO 91 CO 0.00 0.17 0.00 0.27 -0.23 0.00 0.00 178.00 178.21 2flj n ASN 92 N -3.26 2.26 -4.20 1.44 0.23 -1.26 -1.05 115.26 109.42 2flj n ASN 92 Ca 0.01 -2.70 -0.26 0.00 -0.53 0.00 0.00 54.58 51.10 2flj n ASN 92 Cb 0.45 -0.28 -0.15 0.00 -2.08 0.00 0.00 39.78 37.72 2flj n ASN 92 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2flj s LYS 93 N -2.21 1.52 -0.11 -3.83 1.02 -1.25 -0.49 119.74 114.39 2flj s LYS 93 Ca 0.21 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.52 2flj s LYS 93 Cb 0.18 -1.49 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 2flj s LYS 93 CO 0.02 0.40 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.11 2flj s LEU 94 N -0.56 2.10 -0.25 3.17 1.43 -0.41 -1.58 118.68 122.58 2flj s LEU 94 Ca 0.07 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 2flj s LEU 94 Cb -0.08 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2flj s LEU 94 CO -0.00 0.14 0.01 -0.69 0.23 0.00 0.00 176.35 176.04 2flj s VAL 95 N 0.47 3.73 -0.14 -1.59 1.01 0.45 -1.39 120.40 122.94 2flj s VAL 95 Ca -0.16 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2flj s VAL 95 Cb -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2flj s VAL 95 CO 0.06 0.31 -0.18 -2.28 0.00 0.00 0.00 175.10 173.01 2flj s HIS 96 N 1.51 2.71 -0.14 5.22 5.04 -0.04 -1.76 115.29 127.84 2flj s HIS 96 Ca 0.05 -1.09 0.01 0.00 -1.54 0.00 0.00 55.06 52.49 2flj s HIS 96 Cb -0.15 -1.83 -0.00 0.00 0.04 0.00 0.00 32.58 30.63 2flj s HIS 96 CO -0.00 -0.48 -0.17 -2.00 -2.34 0.00 0.00 174.74 169.75 2flj s GLU 97 N 0.69 3.22 -0.21 2.88 2.12 -0.28 -0.06 118.70 127.07 2flj s GLU 97 Ca -0.09 -0.76 -0.05 0.00 0.36 0.00 0.00 54.97 54.43 2flj s GLU 97 Cb -0.16 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.65 2flj s GLU 97 CO 0.01 0.10 -0.01 -0.65 -0.54 0.00 0.00 175.26 174.18 2flj s GLN 98 N 0.60 3.55 0.00 4.30 -0.21 0.12 -1.95 119.66 126.07 2flj s GLN 98 Ca -0.10 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2flj s GLN 98 Cb -0.16 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.77 2flj s GLN 98 CO 0.03 -0.06 0.00 1.63 -2.12 0.00 0.00 175.29 174.77 2flj n LYS 99 N 4.44 1.00 0.00 2.91 5.02 0.03 -1.80 118.16 129.76 2flj n LYS 99 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2flj n LYS 99 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 2flj n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2flj n GLY 100 N 5.00 -1.68 0.25 0.72 0.00 -1.26 -4.54 105.19 103.68 2flj n GLY 100 Ca 0.00 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.09 2flj n GLY 100 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2flj h ASP 101 N 0.00 0.00 -2.41 1.61 2.03 -1.99 -3.29 116.42 112.37 2flj h ASP 101 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 2flj h ASP 101 Cb 0.00 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.10 2flj h ASP 101 CO 0.00 0.13 -0.83 1.41 -1.03 0.00 0.00 179.24 178.92 2flj n HIS 102 N -3.79 1.19 -1.66 4.15 8.25 -1.26 -5.09 115.22 117.01 2flj n HIS 102 Ca -0.02 -3.79 -0.47 0.00 -0.26 0.00 0.00 57.72 53.17 2flj n HIS 102 Cb 0.24 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 2flj n HIS 102 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2flj n PRO 103 N 1.84 1.99 -4.00 -0.41 -0.05 -1.24 -4.89 135.00 128.25 2flj n PRO 103 Ca 0.25 0.72 -0.10 0.00 -0.05 0.00 0.00 63.50 64.32 2flj n PRO 103 Cb 0.45 -2.48 -0.11 0.00 -0.05 0.00 0.00 33.50 31.30 2flj n PRO 103 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 2flj s THR 104 N 1.38 0.22 -0.20 0.52 2.01 -0.75 -4.42 115.64 114.41 2flj s THR 104 Ca 0.82 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 2flj s THR 104 Cb -0.73 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 71.45 2flj s THR 104 CO 0.42 -0.45 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.13 2flj s ILE 105 N -1.38 2.53 -0.18 1.82 1.09 -0.79 -0.70 121.20 123.58 2flj s ILE 105 Ca -0.14 -0.80 -0.01 0.00 -1.10 0.00 0.00 60.65 58.60 2flj s ILE 105 Cb -0.10 -2.11 0.00 0.00 -1.06 0.00 0.00 42.46 39.19 2flj s ILE 105 CO -0.01 0.48 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.56 2flj s ILE 106 N 1.35 2.78 -0.10 2.92 1.01 0.92 -0.92 121.20 129.16 2flj s ILE 106 Ca 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 2flj s ILE 106 Cb -0.14 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2flj s ILE 106 CO -0.09 0.49 -0.08 -0.63 0.00 0.00 0.00 174.94 174.62 2flj s ILE 107 N 1.15 3.55 -0.20 2.92 1.09 0.90 -0.86 121.20 129.75 2flj s ILE 107 Ca 0.01 -0.51 0.01 0.00 -1.10 0.00 0.00 60.65 59.06 2flj s ILE 107 Cb -0.14 -2.48 0.05 0.00 -1.06 0.00 0.00 42.46 38.82 2flj s ILE 107 CO -0.04 0.56 -0.09 -0.13 -0.10 0.00 0.00 174.94 175.13 2flj s ARG 108 N -0.29 1.93 -0.30 2.79 0.52 -0.48 -0.15 118.95 122.97 2flj s ARG 108 Ca 0.04 -0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 54.30 2flj s ARG 108 Cb -0.13 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 2flj s ARG 108 CO 0.03 -0.46 0.14 -2.00 0.02 0.00 0.00 175.30 173.03 2flj s GLU 109 N 1.40 3.34 0.19 3.54 2.12 -0.38 -1.29 118.70 127.63 2flj s GLU 109 Ca -0.02 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.64 2flj s GLU 109 Cb -0.17 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 2flj s GLU 109 CO -0.08 -0.40 0.30 -0.06 -0.54 0.00 0.00 175.26 174.48 2flj s PHE 110 N 1.60 3.43 0.14 5.30 0.40 0.36 0.08 117.98 129.29 2flj s PHE 110 Ca 0.04 0.04 -0.13 0.00 -0.60 0.00 0.00 56.93 56.28 2flj s PHE 110 Cb -0.17 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.77 2flj s PHE 110 CO 0.06 0.49 0.37 -1.54 0.70 0.00 0.00 175.22 175.29 2flj s SER 111 N -3.56 -0.11 0.41 1.36 1.04 0.99 -4.84 113.70 108.99 2flj s SER 111 Ca 0.34 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 56.32 2flj s SER 111 Cb -0.10 0.47 0.87 0.00 0.10 0.00 0.00 66.02 67.36 2flj s SER 111 CO 0.28 -0.89 2.00 0.50 0.98 0.00 0.00 173.24 176.11 2flj h LYS 112 N 2.43 0.32 0.00 4.02 1.63 -1.99 -2.85 116.57 120.14 2flj h LYS 112 Ca -0.32 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2flj h LYS 112 Cb 1.24 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2flj h LYS 112 CO 0.46 0.32 -0.97 0.39 -3.45 0.00 0.00 179.45 176.21 2flj n GLU 113 N -4.38 0.57 -3.66 1.90 1.02 -1.26 -4.73 120.64 110.10 2flj n GLU 113 Ca 0.00 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2flj n GLU 113 Cb 0.17 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 2flj n GLU 113 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2flj s GLN 114 N -2.86 1.01 -0.14 3.49 -0.21 -1.08 -1.65 119.66 118.22 2flj s GLN 114 Ca 0.07 -0.65 -0.00 0.00 0.02 0.00 0.00 55.36 54.80 2flj s GLN 114 Cb 0.15 0.44 0.03 0.00 1.00 0.00 0.00 33.01 34.63 2flj s GLN 114 CO 0.80 -0.38 -0.10 0.00 -2.12 0.00 0.00 175.29 173.50 2flj s VAL 116 N 1.61 4.52 -0.26 0.00 1.01 0.11 -1.75 120.40 125.64 2flj s VAL 116 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2flj s VAL 116 Cb -0.13 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2flj s VAL 116 CO -0.09 0.11 0.13 -0.63 0.00 0.00 0.00 175.10 174.62 2flj s ILE 117 N 1.61 4.84 -0.20 2.22 1.01 0.06 -1.25 121.20 129.50 2flj s ILE 117 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 2flj s ILE 117 Cb -0.17 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 2flj s ILE 117 CO 0.06 0.31 -0.04 -0.89 0.00 0.00 0.00 174.94 174.38 2flj s THR 118 N 1.54 3.55 -0.19 2.92 2.01 0.79 -1.04 115.64 125.23 2flj s THR 118 Ca 0.06 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 2flj s THR 118 Cb -0.15 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 2flj s THR 118 CO 0.07 0.44 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.71 2flj s ILE 119 N 1.12 3.08 -0.18 1.82 1.01 0.18 -0.07 121.20 128.17 2flj s ILE 119 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2flj s ILE 119 Cb -0.15 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 39.99 2flj s ILE 119 CO -0.00 0.47 -0.19 -0.75 0.00 0.00 0.00 174.94 174.47 2flj s LYS 120 N 1.12 2.88 -0.30 2.79 2.20 -0.10 0.04 119.74 128.36 2flj s LYS 120 Ca 0.01 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 2flj s LYS 120 Cb -0.14 -2.52 0.09 0.00 -1.51 0.00 0.00 37.83 33.74 2flj s LYS 120 CO -0.02 -0.22 0.03 -1.17 -0.36 0.00 0.00 175.35 173.60 2flj s LEU 121 N 1.31 3.49 0.00 5.43 2.96 0.55 -1.88 118.68 130.54 2flj s LEU 121 Ca 0.05 -1.75 0.00 0.00 -0.22 0.00 0.00 54.13 52.21 2flj s LEU 121 Cb -0.13 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.25 2flj s LEU 121 CO -0.12 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.17 2flj n GLY 122 N 4.52 3.51 0.03 7.98 0.00 -1.26 -0.39 105.19 119.58 2flj n GLY 122 Ca -0.02 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2flj n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2flj n ASP 123 N 9.82 0.60 -4.68 1.61 9.92 -1.26 -4.88 116.55 127.67 2flj n ASP 123 Ca 0.00 -0.27 -0.42 0.00 -0.53 0.00 0.00 54.79 53.57 2flj n ASP 123 Cb 0.00 0.91 -0.03 0.00 -0.64 0.00 0.00 41.12 41.36 2flj n ASP 123 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2flj s LEU 124 N -3.89 4.23 -0.12 0.64 0.20 0.48 -5.03 118.68 115.19 2flj s LEU 124 Ca 0.03 1.46 0.03 0.00 0.69 0.00 0.00 54.13 56.34 2flj s LEU 124 Cb 0.14 -3.50 0.01 0.00 -0.43 0.00 0.00 46.19 42.41 2flj s LEU 124 CO 0.82 -0.45 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.51 2flj s VAL 125 N 2.10 2.01 0.08 1.68 1.01 -1.26 -0.33 120.40 125.70 2flj s VAL 125 Ca 0.46 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2flj s VAL 125 Cb -0.18 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2flj s VAL 125 CO 0.16 0.54 -0.19 0.00 0.00 0.00 0.00 175.10 175.62 2flj s ALA 126 N 0.60 1.62 0.04 5.51 0.00 0.11 -4.80 121.76 124.84 2flj s ALA 126 Ca -0.13 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.75 2flj s ALA 126 Cb -0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2flj s ALA 126 CO 0.03 0.32 -0.13 0.95 0.00 0.00 0.00 175.76 176.93 2flj s THR 127 N -1.10 1.01 -0.05 0.00 -4.23 -0.95 0.51 115.64 110.84 2flj s THR 127 Ca 0.05 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2flj s THR 127 Cb -0.10 -0.94 0.02 0.00 1.34 0.00 0.00 72.50 72.82 2flj s THR 127 CO 0.03 -0.08 -0.07 -0.13 -0.54 0.00 0.00 174.62 173.84 2flj s ARG 128 N -1.25 1.02 -0.21 3.99 0.52 -0.21 -1.20 118.95 121.62 2flj s ARG 128 Ca -0.00 -0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2flj s ARG 128 Cb -0.08 -0.95 0.01 0.00 0.52 0.00 0.00 34.95 34.44 2flj s ARG 128 CO 0.01 -0.04 -0.11 0.42 0.02 0.00 0.00 175.30 175.60 2flj s ILE 129 N 0.78 2.74 -0.12 1.52 1.01 0.28 -0.76 121.20 126.64 2flj s ILE 129 Ca -0.12 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 2flj s ILE 129 Cb -0.14 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2flj s ILE 129 CO 0.01 0.44 -0.06 -0.31 0.00 0.00 0.00 174.94 175.02 2flj s TYR 130 N 1.38 2.97 -0.17 3.97 1.51 -0.72 0.25 117.35 126.54 2flj s TYR 130 Ca 0.05 -0.22 -0.08 0.00 -1.01 0.00 0.00 57.07 55.81 2flj s TYR 130 Cb -0.14 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2flj s TYR 130 CO -0.08 0.08 0.09 0.15 -1.11 0.00 0.00 175.55 174.68 2flj s LYS 131 N -0.08 3.87 0.26 -0.62 1.02 0.12 -1.19 119.74 123.13 2flj s LYS 131 Ca 0.01 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.42 2flj s LYS 131 Cb -0.13 -3.24 -0.11 0.00 -0.52 0.00 0.00 37.83 33.83 2flj s LYS 131 CO 0.03 0.40 1.62 0.00 -0.92 0.00 0.00 175.35 176.49 2flj s ALA 132 N 0.02 3.80 -2.62 5.17 0.00 -0.66 -0.16 121.76 127.31 2flj s ALA 132 Ca 0.07 1.56 0.27 0.00 0.00 0.00 0.00 51.96 53.86 2flj s ALA 132 Cb -0.12 -3.66 0.85 0.00 0.00 0.00 0.00 23.12 20.19 2flj s ALA 132 CO 0.00 -0.95 1.63 1.04 0.00 0.00 0.00 175.76 177.48