#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fdx s LYS 2 N 0.00 0.62 -0.14 0.03 1.02 -1.26 -1.42 119.74 118.59 2fdx s LYS 2 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.52 2fdx s LYS 2 Cb 0.00 -0.55 0.02 0.00 -0.52 0.00 0.00 37.83 36.78 2fdx s LYS 2 CO 0.00 0.14 -0.16 0.42 -0.92 0.00 0.00 175.35 174.82 2fdx s ILE 3 N -0.61 1.70 -0.10 2.17 1.01 -0.13 -3.61 121.20 121.64 2fdx s ILE 3 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2fdx s ILE 3 Cb -0.06 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2fdx s ILE 3 CO 0.00 0.48 -0.14 -0.69 0.00 0.00 0.00 174.94 174.60 2fdx s VAL 4 N 1.26 3.06 0.18 2.92 1.01 -0.17 0.10 120.40 128.75 2fdx s VAL 4 Ca 0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2fdx s VAL 4 Cb -0.14 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 2fdx s VAL 4 CO -0.08 0.55 0.33 -0.72 0.00 0.00 0.00 175.10 175.18 2fdx s TYR 5 N -0.11 0.34 -0.03 5.22 1.13 -0.81 -1.10 117.35 121.98 2fdx s TYR 5 Ca -0.01 -0.70 0.04 0.00 -1.41 0.00 0.00 57.07 54.98 2fdx s TYR 5 Cb -0.14 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.74 2fdx s TYR 5 CO 0.04 -0.77 -0.14 -0.46 -2.51 0.00 0.00 175.55 171.71 2fdx s TRP 6 N -3.96 1.38 -0.06 -3.49 -0.00 -0.55 -0.23 118.94 112.04 2fdx s TRP 6 Ca 0.17 -0.37 -0.03 0.00 -0.00 0.00 0.00 56.10 55.87 2fdx s TRP 6 Cb 0.02 -0.94 0.03 0.00 -0.00 0.00 0.00 33.47 32.58 2fdx s TRP 6 CO 0.01 -0.13 0.13 0.45 -0.00 0.00 0.00 176.95 177.41 2fdx s SER 7 N 0.07 -0.10 -0.06 5.86 0.15 -1.26 -3.93 113.70 114.43 2fdx s SER 7 Ca -0.03 0.26 0.15 0.00 0.70 0.00 0.00 55.95 57.04 2fdx s SER 7 Cb -0.10 0.17 -0.22 0.00 -1.71 0.00 0.00 66.02 64.17 2fdx s SER 7 CO 0.01 -0.13 0.54 0.61 1.20 0.00 0.00 173.24 175.48 2fdx n GLY 8 N 3.97 -1.05 0.00 9.45 0.00 -1.26 -4.53 105.19 111.77 2fdx n GLY 8 Ca -0.24 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2fdx n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fdx n THR 9 N -2.89 0.00 0.00 2.61 -2.24 -1.26 -5.02 114.28 105.47 2fdx n THR 9 Ca -0.19 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2fdx n THR 9 Cb 1.01 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 70.41 2fdx n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fdx n GLY 10 N 0.32 0.72 0.10 3.38 0.00 -1.26 -5.01 105.19 103.44 2fdx n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2fdx n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2fdx h ASN 11 N 0.00 -0.11 0.29 1.61 -0.26 -1.94 -0.79 115.58 114.38 2fdx h ASN 11 Ca 0.00 -0.27 -0.11 0.00 -0.56 0.00 0.00 56.30 55.37 2fdx h ASN 11 Cb 0.00 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 2fdx h ASN 11 CO 0.00 0.21 -0.43 0.74 -1.06 0.00 0.00 177.43 176.89 2fdx h THR 12 N -0.45 1.32 -0.67 2.81 2.02 -1.89 -2.23 112.91 113.82 2fdx h THR 12 Ca -0.01 -1.54 -0.04 0.00 0.77 0.00 0.00 66.41 65.58 2fdx h THR 12 Cb 0.37 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2fdx h THR 12 CO 0.02 0.46 0.25 -0.08 0.37 0.00 0.00 175.52 176.54 2fdx h GLU 13 N 0.15 1.01 -0.58 6.66 4.81 -1.82 -0.53 114.58 124.27 2fdx h GLU 13 Ca 0.01 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 2fdx h GLU 13 Cb 0.82 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2fdx h GLU 13 CO 0.06 0.86 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.94 2fdx h LYS 14 N 0.95 1.05 -0.49 1.92 3.64 -0.92 -2.00 116.57 120.73 2fdx h LYS 14 Ca 0.22 -0.35 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2fdx h LYS 14 Cb 0.24 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2fdx h LYS 14 CO -0.01 1.05 0.26 0.52 -2.27 0.00 0.00 179.45 178.99 2fdx h MET 15 N 0.95 0.50 -0.58 1.90 2.86 -0.89 -1.71 114.93 117.96 2fdx h MET 15 Ca 0.16 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2fdx h MET 15 Cb 0.60 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 2fdx h MET 15 CO 0.04 0.33 0.31 0.00 1.06 0.00 0.00 176.91 178.65 2fdx h ALA 16 N 1.25 0.76 -0.75 6.32 0.00 -0.73 0.17 119.26 126.28 2fdx h ALA 16 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2fdx h ALA 16 Cb 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2fdx h ALA 16 CO -0.14 -0.01 0.39 0.93 0.00 0.00 0.00 179.25 180.42 2fdx h GLU 17 N 0.60 1.06 -0.41 0.00 5.08 -0.97 -0.94 114.58 119.00 2fdx h GLU 17 Ca 0.26 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2fdx h GLU 17 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2fdx h GLU 17 CO -0.16 0.80 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.33 2fdx h LEU 18 N 1.04 0.87 -0.65 1.33 3.38 -0.79 -0.44 115.31 120.05 2fdx h LEU 18 Ca 0.26 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2fdx h LEU 18 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2fdx h LEU 18 CO -0.04 1.07 0.16 0.40 0.09 0.00 0.00 178.44 180.12 2fdx h ILE 19 N 0.73 1.26 -0.68 1.22 2.04 -0.70 -2.09 117.51 119.28 2fdx h ILE 19 Ca 0.09 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 2fdx h ILE 19 Cb 0.78 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2fdx h ILE 19 CO 0.06 0.35 0.24 0.00 0.00 0.00 0.00 178.15 178.81 2fdx h ALA 20 N 1.06 0.89 -0.84 1.87 0.00 -0.97 -2.15 119.26 119.13 2fdx h ALA 20 Ca 0.20 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2fdx h ALA 20 Cb 0.36 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2fdx h ALA 20 CO 0.00 0.55 0.51 -0.22 0.00 0.00 0.00 179.25 180.09 2fdx h LYS 21 N 0.99 0.90 -0.70 0.00 3.64 -0.70 -0.31 116.57 120.39 2fdx h LYS 21 Ca 0.22 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2fdx h LYS 21 Cb 0.27 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2fdx h LYS 21 CO -0.01 0.59 0.23 0.78 -2.27 0.00 0.00 179.45 178.77 2fdx h GLY 22 N 0.92 1.17 0.97 5.01 0.00 -0.77 0.40 103.07 110.77 2fdx h GLY 22 Ca 0.37 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2fdx h GLY 22 CO -0.18 0.64 0.01 -2.22 0.00 0.00 0.00 176.54 174.78 2fdx h ILE 23 N 1.03 1.26 -0.48 2.60 2.04 -0.87 -2.16 117.51 120.93 2fdx h ILE 23 Ca 0.23 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 2fdx h ILE 23 Cb 0.29 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2fdx h ILE 23 CO -0.01 0.35 0.14 0.40 0.00 0.00 0.00 178.15 179.03 2fdx h ILE 24 N 0.60 1.23 0.00 -0.67 2.04 -0.83 -2.27 117.51 117.61 2fdx h ILE 24 Ca 0.12 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2fdx h ILE 24 Cb 0.48 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2fdx h ILE 24 CO 0.02 0.28 -0.03 -0.33 0.00 0.00 0.00 178.15 178.10 2fdx h GLU 25 N 0.65 0.00 0.00 2.37 5.08 -0.77 0.39 114.58 122.29 2fdx h GLU 25 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2fdx h GLU 25 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2fdx h GLU 25 CO -0.00 0.03 0.00 0.43 -1.00 0.00 0.00 179.01 178.46 2fdx n SER 26 N -4.35 0.00 0.00 1.42 7.64 -0.82 -4.89 113.62 112.62 2fdx n SER 26 Ca -0.03 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2fdx n SER 26 Cb 0.11 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2fdx n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fdx n GLY 27 N 0.80 0.70 3.77 0.23 0.00 0.14 -5.09 105.19 105.74 2fdx n GLY 27 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 2fdx n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fdx s LYS 28 N -0.87 2.75 0.32 1.61 1.02 -0.98 -5.00 119.74 118.59 2fdx s LYS 28 Ca 0.00 -1.10 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 2fdx s LYS 28 Cb 0.00 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 2fdx s LYS 28 CO 0.00 0.41 0.58 0.34 -0.92 0.00 0.00 175.35 175.76 2fdx s ASP 29 N -3.61 6.40 -0.21 2.83 2.15 -1.26 -3.42 116.67 119.54 2fdx s ASP 29 Ca 0.32 0.68 -0.27 0.00 0.43 0.00 0.00 52.55 53.71 2fdx s ASP 29 Cb -0.08 -2.13 0.09 0.00 -0.30 0.00 0.00 42.92 40.50 2fdx s ASP 29 CO 0.23 -0.25 0.82 0.54 -0.17 0.00 0.00 175.17 176.34 2fdx s VAL 30 N -2.20 0.00 -0.06 1.11 0.11 -1.26 -1.68 120.40 116.42 2fdx s VAL 30 Ca 0.43 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.53 2fdx s VAL 30 Cb -0.10 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2fdx s VAL 30 CO 0.33 0.00 -0.19 0.20 -3.33 0.00 0.00 175.10 172.10 2fdx s ASN 31 N -0.18 3.59 -0.23 3.54 -0.87 -0.51 -4.92 114.94 115.36 2fdx s ASN 31 Ca -0.02 -0.36 -0.10 0.00 -1.57 0.00 0.00 52.86 50.82 2fdx s ASN 31 Cb -0.03 -0.90 -0.05 0.00 -0.02 0.00 0.00 41.25 40.24 2fdx s ASN 31 CO 0.01 0.28 0.14 0.42 -2.57 0.00 0.00 177.10 175.38 2fdx s THR 32 N -0.35 5.23 -0.10 1.60 -4.23 -1.26 -0.96 115.64 115.57 2fdx s THR 32 Ca 0.03 0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 2fdx s THR 32 Cb -0.12 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.30 2fdx s THR 32 CO 0.02 0.36 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.67 2fdx s ILE 33 N 0.99 1.53 0.30 2.99 1.01 0.11 -4.95 121.20 123.19 2fdx s ILE 33 Ca 0.07 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 2fdx s ILE 33 Cb -0.13 -1.39 -0.10 0.00 0.01 0.00 0.00 42.46 40.85 2fdx s ILE 33 CO 0.04 0.45 1.17 0.21 0.00 0.00 0.00 174.94 176.80 2fdx s ASN 34 N 0.86 7.06 0.49 3.58 2.47 -1.26 -1.92 114.94 126.22 2fdx s ASN 34 Ca -0.09 2.40 0.28 0.00 0.42 0.00 0.00 52.86 55.86 2fdx s ASN 34 Cb -0.15 -2.63 1.36 0.00 -1.45 0.00 0.00 41.25 38.37 2fdx s ASN 34 CO 0.00 -0.30 1.84 1.62 -3.72 0.00 0.00 177.10 176.54 2fdx h VAL 35 N 3.02 0.53 0.00 -5.21 3.04 -0.96 0.39 116.25 117.05 2fdx h VAL 35 Ca -0.48 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2fdx h VAL 35 Cb 1.22 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2fdx h VAL 35 CO 0.66 0.03 0.00 0.77 -1.01 0.00 0.00 177.57 178.02 2fdx h SER 36 N 0.15 0.00 -0.23 3.17 4.64 -1.90 -2.97 113.55 116.40 2fdx h SER 36 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2fdx h SER 36 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 2fdx h SER 36 CO -0.10 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.33 2fdx n ASP 37 N -2.79 3.10 -4.80 4.97 8.00 0.12 -5.03 116.55 120.12 2fdx n ASP 37 Ca 0.01 -2.48 -0.36 0.00 0.71 0.00 0.00 54.79 52.67 2fdx n ASP 37 Cb 0.25 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 2fdx n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2fdx s VAL 38 N -1.86 4.33 -0.36 2.53 0.11 -1.12 -4.92 120.40 119.10 2fdx s VAL 38 Ca 0.28 1.63 -0.04 0.00 -2.93 0.00 0.00 61.98 60.91 2fdx s VAL 38 Cb 0.20 -3.87 0.07 0.00 -1.53 0.00 0.00 36.38 31.25 2fdx s VAL 38 CO 0.10 0.03 0.13 0.21 -3.33 0.00 0.00 175.10 172.23 2fdx s ASN 39 N -1.79 5.21 0.36 3.54 3.84 -1.26 -4.99 114.94 119.85 2fdx s ASN 39 Ca 0.52 -1.55 0.12 0.00 0.21 0.00 0.00 52.86 52.16 2fdx s ASN 39 Cb -0.16 -1.82 0.90 0.00 -0.55 0.00 0.00 41.25 39.62 2fdx s ASN 39 CO 0.20 -0.41 1.81 0.40 -2.79 0.00 0.00 177.10 176.32 2fdx h ILE 40 N 6.32 0.69 -0.44 -5.21 5.03 -1.98 -1.57 117.51 120.35 2fdx h ILE 40 Ca -0.19 -0.21 -0.04 0.00 -0.12 0.00 0.00 64.86 64.30 2fdx h ILE 40 Cb 1.06 0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 34.88 2fdx h ILE 40 CO 0.64 0.11 0.11 0.44 -0.68 0.00 0.00 178.15 178.76 2fdx h ASP 41 N 0.60 0.67 -0.40 1.72 3.32 -2.00 -1.40 116.42 118.92 2fdx h ASP 41 Ca 0.53 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 57.20 2fdx h ASP 41 Cb 1.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2fdx h ASP 41 CO -0.28 0.72 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.31 2fdx h GLU 42 N 0.58 0.93 -0.44 3.56 5.08 -1.85 -3.13 114.58 119.31 2fdx h GLU 42 Ca 0.14 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2fdx h GLU 42 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2fdx h GLU 42 CO 0.00 1.12 0.17 1.25 -1.00 0.00 0.00 179.01 180.56 2fdx h LEU 43 N 0.76 0.57 0.00 1.33 5.85 -1.04 -2.54 115.31 120.24 2fdx h LEU 43 Ca 0.07 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2fdx h LEU 43 Cb 0.92 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2fdx h LEU 43 CO 0.09 0.52 0.00 0.18 -0.34 0.00 0.00 178.44 178.88 2fdx n LEU 44 N -4.37 0.00 -0.04 2.25 4.77 -0.55 -2.18 117.00 116.88 2fdx n LEU 44 Ca 0.03 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 2fdx n LEU 44 Cb 0.15 -0.45 0.50 0.00 -2.33 0.00 0.00 43.42 41.29 2fdx n LEU 44 CO 0.37 -0.20 0.78 0.59 -1.33 0.00 0.00 177.39 177.60 2fdx n ASN 45 N -1.45 0.32 -4.76 -1.43 5.03 -0.95 -4.90 115.26 107.12 2fdx n ASN 45 Ca 0.05 -0.12 -0.40 0.00 0.87 0.00 0.00 54.58 54.98 2fdx n ASN 45 Cb 0.18 -0.12 -0.04 0.00 -1.02 0.00 0.00 39.78 38.78 2fdx n ASN 45 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2fdx s GLU 46 N -2.81 4.59 0.19 3.52 0.41 -0.93 -4.97 118.70 118.70 2fdx s GLU 46 Ca 0.18 1.80 -0.09 0.00 -0.41 0.00 0.00 54.97 56.45 2fdx s GLU 46 Cb 0.19 -3.13 0.08 0.00 -1.78 0.00 0.00 34.13 29.49 2fdx s GLU 46 CO 0.56 0.16 1.67 0.38 -0.49 0.00 0.00 175.26 177.54 2fdx h ASP 47 N 3.69 1.06 -3.73 -0.19 2.03 -1.90 -3.43 116.42 113.94 2fdx h ASP 47 Ca -0.47 -0.28 -0.48 0.00 -0.73 0.00 0.00 57.03 55.07 2fdx h ASP 47 Cb 1.21 -0.28 -0.32 0.00 -0.83 0.00 0.00 39.33 39.11 2fdx h ASP 47 CO 0.66 1.08 -0.81 -0.63 -1.03 0.00 0.00 179.24 178.52 2fdx s ILE 48 N -5.13 1.01 -0.25 4.15 1.01 -1.26 -3.72 121.20 117.01 2fdx s ILE 48 Ca -0.12 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2fdx s ILE 48 Cb 0.14 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 2fdx s ILE 48 CO 0.85 0.31 0.16 -0.76 0.00 0.00 0.00 174.94 175.50 2fdx s LEU 49 N 0.30 3.99 -0.31 2.97 1.43 0.23 -4.63 118.68 122.65 2fdx s LEU 49 Ca -0.06 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2fdx s LEU 49 Cb -0.11 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2fdx s LEU 49 CO 0.02 0.01 0.08 -0.63 0.23 0.00 0.00 176.35 176.06 2fdx s ILE 50 N 1.37 3.73 -0.06 -0.59 1.01 -1.24 -0.56 121.20 124.86 2fdx s ILE 50 Ca 0.07 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.78 2fdx s ILE 50 Cb -0.15 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 2fdx s ILE 50 CO 0.07 -0.06 -0.22 -0.76 0.00 0.00 0.00 174.94 173.97 2fdx s LEU 51 N 1.42 2.01 0.01 2.97 1.43 -0.16 -1.00 118.68 125.36 2fdx s LEU 51 Ca -0.00 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2fdx s LEU 51 Cb -0.18 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2fdx s LEU 51 CO 0.02 0.20 -0.06 -0.83 0.23 0.00 0.00 176.35 175.91 2fdx s GLY 52 N 0.00 0.31 -0.28 -3.19 0.00 -0.26 -1.79 107.32 102.11 2fdx s GLY 52 Ca -0.06 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.07 2fdx s GLY 52 CO 0.04 -0.36 0.80 0.00 0.00 0.00 0.00 173.10 173.57 2fdx s SER 54 N 0.79 3.64 -0.11 0.00 1.04 -1.25 -4.35 113.70 113.45 2fdx s SER 54 Ca -0.03 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 57.35 2fdx s SER 54 Cb -0.05 -1.92 -0.01 0.00 0.10 0.00 0.00 66.02 64.14 2fdx s SER 54 CO -0.08 -2.50 1.06 0.00 0.98 0.00 0.00 173.24 172.70 2fdx s ALA 55 N -3.09 3.46 0.53 5.32 0.00 -0.76 -4.39 121.76 122.82 2fdx s ALA 55 Ca 0.63 0.41 0.06 0.00 0.00 0.00 0.00 51.96 53.07 2fdx s ALA 55 Cb -0.16 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.52 2fdx s ALA 55 CO 0.55 -0.71 0.44 -1.64 0.00 0.00 0.00 175.76 174.40 2fdx s MET 56 N 2.24 2.30 0.12 0.00 -1.94 -0.33 -4.86 119.30 116.82 2fdx s MET 56 Ca 0.50 -1.90 -0.33 0.00 -1.71 0.00 0.00 55.69 52.25 2fdx s MET 56 Cb -0.19 -2.20 -0.18 0.00 2.01 0.00 0.00 34.83 34.27 2fdx s MET 56 CO 0.17 -0.57 0.83 0.41 -0.01 0.00 0.00 175.02 175.85 2fdx n GLY 57 N -1.77 -0.91 2.36 -0.03 0.00 -1.26 -1.10 105.19 102.47 2fdx n GLY 57 Ca 0.01 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 2fdx n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fdx n ASP 58 N 1.79 -4.50 -3.39 1.61 8.00 -1.26 -3.33 116.55 115.47 2fdx n ASP 58 Ca 0.18 0.30 -0.20 0.00 0.71 0.00 0.00 54.79 55.78 2fdx n ASP 58 Cb 0.18 -3.14 0.06 0.00 -0.02 0.00 0.00 41.12 38.21 2fdx n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2fdx n GLU 59 N -2.61 -2.34 -4.39 -1.24 -0.58 -0.26 -4.98 120.64 104.24 2fdx n GLU 59 Ca -0.13 0.75 -0.19 0.00 -0.42 0.00 0.00 57.16 57.17 2fdx n GLU 59 Cb 0.42 -5.37 -0.10 0.00 -0.57 0.00 0.00 31.44 25.82 2fdx n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2fdx s VAL 60 N -3.42 0.89 0.65 2.62 -7.23 -0.93 -4.02 120.40 108.97 2fdx s VAL 60 Ca 0.42 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.45 2fdx s VAL 60 Cb -0.08 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 2fdx s VAL 60 CO 0.77 -0.00 1.07 -0.76 -0.31 0.00 0.00 175.10 175.87 2fdx s LEU 61 N -3.40 3.36 0.20 1.32 1.43 -1.26 -1.19 118.68 119.14 2fdx s LEU 61 Ca 0.37 1.83 -0.33 0.00 -1.03 0.00 0.00 54.13 54.98 2fdx s LEU 61 Cb 0.08 -4.53 -0.13 0.00 0.03 0.00 0.00 46.19 41.64 2fdx s LEU 61 CO 0.15 -1.42 1.59 1.21 0.23 0.00 0.00 176.35 178.10 2fdx n GLU 62 N -2.47 2.36 0.10 1.70 0.00 -1.26 -4.77 120.64 116.29 2fdx n GLU 62 Ca 0.09 0.85 -0.18 0.00 0.00 0.00 0.00 57.16 57.91 2fdx n GLU 62 Cb 0.53 -2.62 -0.11 0.00 0.00 0.00 0.00 31.44 29.23 2fdx n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2fdx h GLU 63 N 5.73 0.45 0.00 5.31 5.08 -1.97 0.17 114.58 129.36 2fdx h GLU 63 Ca -0.45 -0.63 -0.17 0.00 -1.00 0.00 0.00 59.36 57.11 2fdx h GLU 63 Cb 1.24 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 2fdx h GLU 63 CO 0.87 1.27 -0.85 0.66 -1.00 0.00 0.00 179.01 179.97 2fdx h SER 64 N 0.19 0.00 0.00 1.42 4.64 -2.01 -3.40 113.55 114.39 2fdx h SER 64 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2fdx h SER 64 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 2fdx h SER 64 CO 0.21 0.81 -0.77 -0.62 -0.87 0.00 0.00 176.83 175.59 2fdx n GLU 65 N -3.29 0.00 -0.04 4.77 1.02 -1.26 -4.79 120.64 117.05 2fdx n GLU 65 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2fdx n GLU 65 Cb 0.87 -0.40 -0.08 0.00 -0.02 0.00 0.00 31.44 31.80 2fdx n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2fdx h PHE 66 N 0.00 0.31 -0.29 -0.32 3.57 -1.83 -3.06 116.94 115.32 2fdx h PHE 66 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2fdx h PHE 66 Cb 0.77 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2fdx h PHE 66 CO 0.00 0.72 0.19 1.49 -2.23 0.00 0.00 178.31 178.48 2fdx h GLU 67 N -0.19 0.37 -0.73 1.11 4.81 -1.18 -1.89 114.58 116.88 2fdx h GLU 67 Ca 0.01 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2fdx h GLU 67 Cb 0.69 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2fdx h GLU 67 CO 0.03 0.25 0.48 -1.35 -0.73 0.00 0.00 179.01 177.69 2fdx h PRO 68 N 0.38 0.72 -0.28 0.92 0.11 -1.77 -0.32 132.00 131.77 2fdx h PRO 68 Ca 0.11 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 2fdx h PRO 68 Cb -0.04 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 2fdx h PRO 68 CO -0.03 0.48 0.16 0.35 -0.21 0.00 0.00 178.00 178.75 2fdx h PHE 69 N 0.75 0.38 -0.62 0.65 3.57 -1.32 0.10 116.94 120.45 2fdx h PHE 69 Ca 0.32 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 2fdx h PHE 69 Cb 0.29 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2fdx h PHE 69 CO -0.00 0.31 0.24 0.82 -2.23 0.00 0.00 178.31 177.45 2fdx h ILE 70 N 0.34 1.23 -0.63 1.41 1.08 -0.53 -1.71 117.51 118.71 2fdx h ILE 70 Ca 0.10 -0.74 -0.04 0.00 -0.39 0.00 0.00 64.86 63.79 2fdx h ILE 70 Cb 0.05 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 2fdx h ILE 70 CO -0.02 0.29 0.23 -0.33 -0.69 0.00 0.00 178.15 177.64 2fdx h GLU 71 N 0.87 0.94 -0.40 2.37 5.08 -0.85 -0.49 114.58 122.09 2fdx h GLU 71 Ca 0.21 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2fdx h GLU 71 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2fdx h GLU 71 CO -0.02 0.78 -0.04 1.49 -1.00 0.00 0.00 179.01 180.22 2fdx h GLU 72 N 0.92 0.74 0.00 2.33 4.81 -0.14 -3.14 114.58 120.10 2fdx h GLU 72 Ca 0.21 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2fdx h GLU 72 Cb 0.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2fdx h GLU 72 CO -0.02 0.85 -0.32 0.44 -0.73 0.00 0.00 179.01 179.23 2fdx n ILE 73 N -4.39 0.28 -0.34 2.32 -5.35 -0.70 -4.34 119.36 106.83 2fdx n ILE 73 Ca -0.01 -0.17 0.24 0.00 -0.27 0.00 0.00 62.75 62.54 2fdx n ILE 73 Cb 0.32 -0.24 0.51 0.00 -1.74 0.00 0.00 39.64 38.48 2fdx n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2fdx h SER 74 N 0.00 0.45 0.53 7.28 4.64 -1.03 0.58 113.55 126.00 2fdx h SER 74 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2fdx h SER 74 Cb 0.65 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2fdx h SER 74 CO 0.00 0.05 -0.11 0.35 -0.87 0.00 0.00 176.83 176.25 2fdx n THR 75 N -4.68 0.00 -1.05 2.95 -2.24 -1.26 -4.00 114.28 104.00 2fdx n THR 75 Ca 0.27 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 2fdx n THR 75 Cb 0.92 -0.21 0.13 0.00 -2.10 0.00 0.00 70.33 69.07 2fdx n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2fdx n LYS 76 N -1.17 1.32 -0.04 -0.78 5.02 0.19 -4.73 118.16 117.97 2fdx n LYS 76 Ca 0.12 -2.45 0.02 0.00 -2.02 0.00 0.00 58.31 53.99 2fdx n LYS 76 Cb 0.29 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2fdx n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2fdx n ILE 77 N -1.32 1.06 -1.72 -0.18 -5.35 -1.17 -5.00 119.36 105.67 2fdx n ILE 77 Ca 0.14 -1.15 -0.43 0.00 -0.27 0.00 0.00 62.75 61.05 2fdx n ILE 77 Cb 0.62 0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 38.87 2fdx n ILE 77 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2fdx n SER 78 N -0.65 3.70 0.00 7.28 2.88 -1.25 -1.32 113.62 124.26 2fdx n SER 78 Ca 0.04 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2fdx n SER 78 Cb 0.39 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 2fdx n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fdx n GLY 79 N 2.95 2.47 3.79 0.46 0.00 0.49 -4.93 105.19 110.42 2fdx n GLY 79 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2fdx n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fdx s LYS 80 N -0.25 3.81 0.02 1.61 3.01 -0.43 -4.70 119.74 122.82 2fdx s LYS 80 Ca 0.00 1.46 -0.17 0.00 -1.01 0.00 0.00 55.97 56.24 2fdx s LYS 80 Cb 0.00 -2.20 -0.06 0.00 -1.01 0.00 0.00 37.83 34.56 2fdx s LYS 80 CO 0.00 -0.43 0.49 0.15 0.51 0.00 0.00 175.35 176.07 2fdx s LYS 81 N -3.05 4.10 0.03 1.68 1.02 -1.24 -0.58 119.74 121.71 2fdx s LYS 81 Ca 0.66 0.57 0.02 0.00 0.02 0.00 0.00 55.97 57.24 2fdx s LYS 81 Cb -0.19 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2fdx s LYS 81 CO 0.23 0.61 -0.06 0.14 -0.92 0.00 0.00 175.35 175.34 2fdx s VAL 82 N -0.89 0.44 -0.06 3.17 -7.23 0.30 -0.60 120.40 115.52 2fdx s VAL 82 Ca 0.27 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2fdx s VAL 82 Cb -0.18 -0.50 0.01 0.00 0.56 0.00 0.00 36.38 36.27 2fdx s VAL 82 CO 0.16 -0.34 -0.12 0.00 -0.31 0.00 0.00 175.10 174.49 2fdx s ALA 83 N -1.22 1.23 0.05 1.32 0.00 0.27 -1.39 121.76 122.03 2fdx s ALA 83 Ca -0.09 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.51 2fdx s ALA 83 Cb -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2fdx s ALA 83 CO 0.00 0.14 -0.21 -0.51 0.00 0.00 0.00 175.76 175.18 2fdx s LEU 84 N 0.51 2.46 0.22 0.00 1.43 -1.26 -0.99 118.68 121.04 2fdx s LEU 84 Ca -0.11 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.32 2fdx s LEU 84 Cb -0.14 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.66 2fdx s LEU 84 CO 0.03 0.25 0.53 0.72 0.23 0.00 0.00 176.35 178.10 2fdx s PHE 85 N -0.91 0.03 0.00 0.29 -0.71 -0.74 -1.31 117.98 114.64 2fdx s PHE 85 Ca 0.14 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.63 2fdx s PHE 85 Cb -0.10 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 2fdx s PHE 85 CO 0.04 -0.97 0.00 0.41 -1.34 0.00 0.00 175.22 173.36 2fdx n GLY 86 N -0.36 2.17 3.93 1.99 0.00 -0.57 -2.01 105.19 110.33 2fdx n GLY 86 Ca -0.07 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 2fdx n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fdx s SER 87 N 0.00 6.37 0.24 1.61 0.15 -1.26 -2.20 113.70 118.61 2fdx s SER 87 Ca 0.00 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.90 2fdx s SER 87 Cb 0.00 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2fdx s SER 87 CO 0.00 0.07 0.27 -0.72 1.20 0.00 0.00 173.24 174.07 2fdx s TYR 88 N -1.68 0.97 0.00 3.44 1.13 -0.65 -1.84 117.35 118.73 2fdx s TYR 88 Ca 0.36 -1.21 0.00 0.00 -1.41 0.00 0.00 57.07 54.81 2fdx s TYR 88 Cb -0.12 -0.31 0.00 0.00 -1.10 0.00 0.00 41.96 40.43 2fdx s TYR 88 CO 0.28 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.92 2fdx n GLY 89 N -0.36 0.44 0.01 5.49 0.00 -1.26 -0.50 105.19 109.01 2fdx n GLY 89 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2fdx n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2fdx n TRP 90 N 0.00 0.11 -0.93 1.61 2.14 -1.26 -4.82 117.44 114.30 2fdx n TRP 90 Ca 0.00 0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.60 2fdx n TRP 90 Cb 0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 31.31 30.13 2fdx n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2fdx n GLY 91 N 1.47 -0.00 0.74 -1.67 0.00 -1.26 -5.04 105.19 99.42 2fdx n GLY 91 Ca 0.05 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.35 2fdx n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fdx n ASP 92 N -0.93 1.41 0.00 1.61 5.68 -1.26 -4.98 116.55 118.08 2fdx n ASP 92 Ca 0.00 -2.97 0.00 0.00 -0.50 0.00 0.00 54.79 51.32 2fdx n ASP 92 Cb 0.00 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 2fdx n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fdx n GLY 93 N -0.58 0.99 0.28 6.12 0.00 -1.26 -5.00 105.19 105.74 2fdx n GLY 93 Ca 0.12 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2fdx n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2fdx h LYS 94 N 3.90 0.58 -0.46 1.61 1.63 -1.93 -0.60 116.57 121.30 2fdx h LYS 94 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2fdx h LYS 94 Cb 0.00 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2fdx h LYS 94 CO 0.00 0.38 0.30 0.11 -3.45 0.00 0.00 179.45 176.79 2fdx h TRP 95 N 0.60 0.58 0.03 1.91 0.09 -1.94 -1.52 115.95 115.69 2fdx h TRP 95 Ca 0.38 0.01 -0.23 0.00 0.09 0.00 0.00 58.89 59.14 2fdx h TRP 95 Cb 0.46 -0.20 0.00 0.00 0.08 0.00 0.00 29.16 29.50 2fdx h TRP 95 CO -0.11 0.37 -1.00 1.98 0.09 0.00 0.00 178.44 179.76 2fdx h MET 96 N 0.62 0.36 -0.80 0.12 4.05 -1.48 -0.32 114.93 117.48 2fdx h MET 96 Ca 0.17 -0.43 -0.04 0.00 -0.28 0.00 0.00 59.70 59.12 2fdx h MET 96 Cb -0.07 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 2fdx h MET 96 CO -0.04 1.12 0.35 0.00 0.23 0.00 0.00 176.91 178.57 2fdx h ARG 97 N 0.18 1.17 -0.26 0.39 3.08 -0.64 -0.11 114.38 118.19 2fdx h ARG 97 Ca -0.09 -0.19 -0.19 0.00 0.07 0.00 0.00 59.98 59.58 2fdx h ARG 97 Cb 1.66 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2fdx h ARG 97 CO 0.17 0.92 -0.60 -0.44 -1.07 0.00 0.00 179.97 178.95 2fdx h ASP 98 N 1.15 0.96 -0.43 7.04 3.32 -1.21 -1.87 116.42 125.39 2fdx h ASP 98 Ca 0.27 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 2fdx h ASP 98 Cb 0.16 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2fdx h ASP 98 CO -0.03 1.34 0.25 0.15 -1.72 0.00 0.00 179.24 179.22 2fdx h PHE 99 N 0.64 0.57 -0.43 4.55 3.57 -0.75 0.06 116.94 125.15 2fdx h PHE 99 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2fdx h PHE 99 Cb 1.21 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2fdx h PHE 99 CO 0.07 0.42 0.19 1.49 -2.23 0.00 0.00 178.31 178.26 2fdx h GLU 100 N 0.56 0.62 -0.78 1.11 4.81 -0.98 -1.58 114.58 118.34 2fdx h GLU 100 Ca 0.15 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2fdx h GLU 100 Cb 0.03 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2fdx h GLU 100 CO -0.03 0.55 0.47 1.49 -0.73 0.00 0.00 179.01 180.77 2fdx h GLU 101 N 0.55 1.06 -0.00 1.92 4.81 -1.02 -1.85 114.58 120.04 2fdx h GLU 101 Ca 0.14 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2fdx h GLU 101 Cb 0.14 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2fdx h GLU 101 CO -0.02 0.74 0.00 -0.09 -0.73 0.00 0.00 179.01 178.92 2fdx h ARG 102 N 1.07 0.01 -0.60 1.92 2.43 -0.71 0.36 114.38 118.85 2fdx h ARG 102 Ca 0.28 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 2fdx h ARG 102 Cb -0.04 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2fdx h ARG 102 CO -0.05 0.03 0.23 0.52 -1.51 0.00 0.00 179.97 179.19 2fdx h MET 103 N -0.02 0.89 -0.62 0.20 2.86 -1.12 -0.88 114.93 116.24 2fdx h MET 103 Ca 0.00 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 2fdx h MET 103 Cb 0.03 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2fdx h MET 103 CO -0.00 0.73 0.09 -0.91 1.06 0.00 0.00 176.91 177.88 2fdx h ASN 104 N 0.87 1.00 0.16 1.22 2.35 -1.12 -1.74 115.58 118.32 2fdx h ASN 104 Ca 0.20 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2fdx h ASN 104 Cb 0.19 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2fdx h ASN 104 CO -0.02 1.02 -0.07 1.23 -1.65 0.00 0.00 177.43 177.94 2fdx h GLY 105 N 0.95 0.00 0.62 2.83 0.00 0.40 0.10 103.07 107.97 2fdx h GLY 105 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2fdx h GLY 105 CO 0.01 0.00 -0.04 -1.72 0.00 0.00 0.00 176.54 174.80 2fdx n TYR 106 N -3.88 0.00 -0.32 5.60 4.01 -0.63 -4.91 117.16 117.03 2fdx n TYR 106 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2fdx n TYR 106 Cb 0.16 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2fdx n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2fdx n GLY 107 N 1.15 0.84 3.87 2.72 0.00 0.02 -3.86 105.19 109.93 2fdx n GLY 107 Ca 0.19 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2fdx n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdx s VAL 109 N -2.96 4.06 -0.61 0.00 1.01 0.26 -4.38 120.40 117.77 2fdx s VAL 109 Ca 0.55 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2fdx s VAL 109 Cb -0.11 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2fdx s VAL 109 CO 0.47 0.12 1.12 -0.69 0.00 0.00 0.00 175.10 176.11 2fdx s VAL 110 N 1.53 4.09 0.25 2.92 1.01 -1.26 -0.54 120.40 128.40 2fdx s VAL 110 Ca 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 2fdx s VAL 110 Cb -0.17 -4.71 0.17 0.00 0.00 0.00 0.00 36.38 31.67 2fdx s VAL 110 CO 0.03 -1.40 1.82 -0.37 0.00 0.00 0.00 175.10 175.18 2fdx h VAL 111 N 6.07 1.24 -3.75 2.92 -1.51 -1.61 -3.46 116.25 116.15 2fdx h VAL 111 Ca -0.26 -0.78 -0.37 0.00 -1.23 0.00 0.00 66.70 64.06 2fdx h VAL 111 Cb 1.06 0.44 -0.14 0.00 -2.13 0.00 0.00 31.29 30.52 2fdx h VAL 111 CO 1.18 0.31 -0.60 -1.61 -1.23 0.00 0.00 177.57 175.62 2fdx s GLU 112 N -5.44 1.47 0.23 5.19 0.41 -1.26 -5.11 118.70 114.18 2fdx s GLU 112 Ca -0.11 -1.81 -0.30 0.00 -0.41 0.00 0.00 54.97 52.34 2fdx s GLU 112 Cb 0.16 -0.26 -0.10 0.00 -1.78 0.00 0.00 34.13 32.16 2fdx s GLU 112 CO 0.82 -0.33 1.41 0.99 -0.49 0.00 0.00 175.26 177.66 2fdx s THR 113 N -3.70 2.84 0.42 3.63 2.01 -1.26 -4.80 115.64 114.78 2fdx s THR 113 Ca 0.37 0.69 -0.26 0.00 0.31 0.00 0.00 61.69 62.80 2fdx s THR 113 Cb 0.07 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 69.04 2fdx s THR 113 CO 0.14 0.10 1.41 -2.65 -0.69 0.00 0.00 174.62 172.94 2fdx n PRO 114 N 2.54 2.32 -3.26 4.92 -0.02 -1.26 -4.87 135.00 135.37 2fdx n PRO 114 Ca 0.07 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 2fdx n PRO 114 Cb 0.41 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 2fdx n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fdx s LEU 115 N -2.21 4.26 -0.05 2.45 2.96 -0.43 -4.96 118.68 120.69 2fdx s LEU 115 Ca 0.58 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.66 2fdx s LEU 115 Cb -0.47 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 2fdx s LEU 115 CO 0.60 -0.41 -0.23 0.27 -1.32 0.00 0.00 176.35 175.26 2fdx s ILE 116 N 2.34 1.85 -0.02 6.68 -4.36 -1.26 -1.51 121.20 124.92 2fdx s ILE 116 Ca 0.19 -0.96 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 2fdx s ILE 116 Cb -0.16 -1.57 -0.00 0.00 1.25 0.00 0.00 42.46 41.98 2fdx s ILE 116 CO 0.12 0.52 -0.12 -0.69 0.24 0.00 0.00 174.94 175.01 2fdx s VAL 117 N -0.14 0.99 -0.12 8.37 1.01 -0.94 -5.00 120.40 124.57 2fdx s VAL 117 Ca -0.02 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 2fdx s VAL 117 Cb -0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2fdx s VAL 117 CO 0.03 0.29 1.01 -1.58 0.00 0.00 0.00 175.10 174.84 2fdx s GLN 118 N -0.10 4.40 3.55 2.72 0.74 -1.26 -1.64 119.66 128.07 2fdx s GLN 118 Ca 0.01 1.38 0.00 0.00 0.05 0.00 0.00 55.36 56.80 2fdx s GLN 118 Cb -0.07 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.49 2fdx s GLN 118 CO 0.00 -0.35 0.00 0.09 -0.55 0.00 0.00 175.29 174.48 2fdx n ASN 119 N 5.17 0.00 -4.76 6.67 3.02 0.34 -4.66 115.26 121.04 2fdx n ASN 119 Ca 0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 2fdx n ASN 119 Cb 0.48 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 2fdx n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2fdx s GLU 120 N 0.00 4.47 -0.58 3.52 2.12 -1.26 -4.72 118.70 122.25 2fdx s GLU 120 Ca 0.00 2.01 -0.27 0.00 0.36 0.00 0.00 54.97 57.07 2fdx s GLU 120 Cb 0.00 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2fdx s GLU 120 CO 0.00 -0.01 1.73 -2.14 -0.54 0.00 0.00 175.26 174.30 2fdx s PRO 121 N -1.66 2.86 0.00 4.30 0.02 -1.26 -4.73 135.00 134.52 2fdx s PRO 121 Ca 0.47 0.60 0.00 0.00 0.02 0.00 0.00 61.00 62.09 2fdx s PRO 121 Cb -0.36 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 29.86 2fdx s PRO 121 CO 0.47 -2.46 0.00 -3.47 -0.33 0.00 0.00 177.00 171.20 2fdx n ASP 122 N 11.69 0.00 0.25 2.53 2.03 -1.26 -4.43 116.55 127.36 2fdx n ASP 122 Ca 0.18 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.63 2fdx n ASP 122 Cb 0.51 -0.26 0.44 0.00 -0.72 0.00 0.00 41.12 41.09 2fdx n ASP 122 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2fdx h GLU 123 N 0.00 0.00 -0.23 -0.67 3.07 -1.99 -3.06 114.58 111.70 2fdx h GLU 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2fdx h GLU 123 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2fdx h GLU 123 CO 0.00 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 2fdx n ALA 124 N -2.11 2.49 -0.12 3.43 0.00 -1.26 -4.42 120.51 118.52 2fdx n ALA 124 Ca 0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 52.93 2fdx n ALA 124 Cb 0.42 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.86 2fdx n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2fdx h GLU 125 N 1.74 0.17 -0.50 0.00 5.08 -1.75 -1.21 114.58 118.11 2fdx h GLU 125 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2fdx h GLU 125 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2fdx h GLU 125 CO 0.00 0.11 0.13 0.37 -1.00 0.00 0.00 179.01 178.63 2fdx h GLN 126 N 0.17 0.76 -0.94 2.33 5.75 -1.88 -1.56 115.11 119.74 2fdx h GLN 126 Ca 0.19 -0.14 0.06 0.00 -0.15 0.00 0.00 58.65 58.61 2fdx h GLN 126 Cb 0.24 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.60 2fdx h GLN 126 CO -0.27 0.68 0.60 -0.44 -2.65 0.00 0.00 178.83 176.75 2fdx h ASP 127 N 0.74 0.97 -0.16 -0.69 3.32 -1.54 0.19 116.42 119.25 2fdx h ASP 127 Ca 0.17 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2fdx h ASP 127 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2fdx h ASP 127 CO -0.00 0.63 0.03 0.00 -1.72 0.00 0.00 179.24 178.17 2fdx h ILE 129 N 0.05 0.99 -0.29 0.00 2.04 -0.78 -2.29 117.51 117.24 2fdx h ILE 129 Ca 0.05 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2fdx h ILE 129 Cb 0.30 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2fdx h ILE 129 CO 0.00 0.11 -0.06 -0.33 0.00 0.00 0.00 178.15 177.86 2fdx h GLU 130 N 0.58 0.45 -0.55 2.37 4.39 -0.48 -1.46 114.58 119.88 2fdx h GLU 130 Ca 0.23 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2fdx h GLU 130 Cb 0.10 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2fdx h GLU 130 CO -0.14 0.53 0.21 0.35 -1.16 0.00 0.00 179.01 178.81 2fdx h PHE 131 N 0.43 0.85 -0.65 4.33 3.57 -0.76 -1.12 116.94 123.60 2fdx h PHE 131 Ca 0.09 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2fdx h PHE 131 Cb 0.39 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2fdx h PHE 131 CO 0.01 0.70 0.38 0.78 -2.23 0.00 0.00 178.31 177.95 2fdx h GLY 132 N 0.76 0.95 1.55 2.40 0.00 -0.85 -1.86 103.07 106.02 2fdx h GLY 132 Ca 0.18 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2fdx h GLY 132 CO -0.01 0.39 0.07 0.50 0.00 0.00 0.00 176.54 177.49 2fdx h LYS 133 N 0.89 0.57 -0.43 4.80 1.57 -0.89 -1.05 116.57 122.03 2fdx h LYS 133 Ca 0.23 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2fdx h LYS 133 Cb -0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2fdx h LYS 133 CO -0.04 0.55 0.08 0.87 -0.57 0.00 0.00 179.45 180.33 2fdx h LYS 134 N 0.56 0.71 -0.41 3.15 1.57 -0.57 -2.60 116.57 118.99 2fdx h LYS 134 Ca 0.13 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2fdx h LYS 134 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2fdx h LYS 134 CO 0.00 0.74 -0.13 0.82 -0.57 0.00 0.00 179.45 180.31 2fdx h ILE 135 N 0.57 1.26 0.00 1.86 2.04 -0.98 -2.49 117.51 119.77 2fdx h ILE 135 Ca 0.13 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 2fdx h ILE 135 Cb 0.36 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2fdx h ILE 135 CO 0.01 0.40 -0.07 0.00 0.00 0.00 0.00 178.15 178.48 2fdx h ALA 136 N 1.20 1.13 -0.32 1.87 0.00 -0.99 -2.46 119.26 119.69 2fdx h ALA 136 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2fdx h ALA 136 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2fdx h ALA 136 CO 0.04 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2fdx n ALA 137 N -2.19 2.46 1.86 0.00 0.00 -0.94 -5.08 120.51 116.62 2fdx n ALA 137 Ca -0.01 -0.59 0.15 0.00 0.00 0.00 0.00 53.44 52.99 2fdx n ALA 137 Cb 0.23 -0.99 0.83 0.00 0.00 0.00 0.00 19.45 19.52 2fdx n ALA 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61