#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkj s ASN -5 N 0.00 6.68 -0.04 -1.84 0.01 -1.26 -5.06 114.94 113.44 3fkj s ASN -5 Ca 0.00 0.81 -0.27 0.00 -0.71 0.00 0.00 52.86 52.69 3fkj s ASN -5 Cb 0.00 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 3fkj s ASN -5 CO 0.00 0.02 0.87 -0.76 -1.51 0.00 0.00 177.10 175.72 3fkj s LEU -4 N 0.53 4.34 -0.15 0.60 1.02 -1.26 -5.06 118.68 118.70 3fkj s LEU -4 Ca 0.25 1.46 -0.08 0.00 0.02 0.00 0.00 54.13 55.78 3fkj s LEU -4 Cb -0.15 -3.37 -0.04 0.00 0.02 0.00 0.00 46.19 42.65 3fkj s LEU -4 CO 0.10 -0.22 0.12 -0.31 0.02 0.00 0.00 176.35 176.06 3fkj s TYR -3 N 1.02 3.46 -0.22 0.29 1.51 -1.26 -5.09 117.35 117.07 3fkj s TYR -3 Ca 0.46 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.91 3fkj s TYR -3 Cb -0.19 -2.02 0.05 0.00 -0.11 0.00 0.00 41.96 39.69 3fkj s TYR -3 CO 0.23 0.50 -0.07 -0.06 -1.11 0.00 0.00 175.55 175.04 3fkj s PHE -2 N -0.39 2.38 0.62 2.71 0.40 -1.26 -5.13 117.98 117.31 3fkj s PHE -2 Ca 0.11 -1.67 -0.07 0.00 -0.60 0.00 0.00 56.93 54.70 3fkj s PHE -2 Cb -0.12 -1.59 0.01 0.00 0.51 0.00 0.00 43.02 41.83 3fkj s PHE -2 CO 0.01 -0.75 0.95 -0.65 0.70 0.00 0.00 175.22 175.48 3fkj s GLN -1 N 1.40 2.90 0.00 0.44 -0.21 -1.26 -5.32 119.66 117.61 3fkj s GLN -1 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.44 3fkj s GLN -1 Cb -0.18 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.62 3fkj s GLN -1 CO -0.07 -0.78 0.00 0.41 -2.12 0.00 0.00 175.29 172.73 3fkj n GLY 0 N -2.68 1.89 3.77 3.09 0.00 -1.26 -5.30 105.19 104.69 3fkj n GLY 0 Ca 0.05 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 3fkj n GLY 0 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fkj s SER 2 N -0.34 6.72 0.19 1.61 0.01 -1.26 -5.13 113.70 115.50 3fkj s SER 2 Ca 0.00 2.47 -0.11 0.00 1.31 0.00 0.00 55.95 59.62 3fkj s SER 2 Cb 0.00 -2.63 0.21 0.00 0.21 0.00 0.00 66.02 63.81 3fkj s SER 2 CO 0.00 -0.55 1.76 0.58 0.41 0.00 0.00 173.24 175.44 3fkj h VAL 3 N 2.71 0.84 -0.23 3.43 2.07 -1.99 -0.91 116.25 122.16 3fkj h VAL 3 Ca -0.48 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3fkj h VAL 3 Cb 1.23 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3fkj h VAL 3 CO 0.64 0.08 -0.08 0.00 0.02 0.00 0.00 177.57 178.23 3fkj h ALA 4 N 1.36 0.32 -0.40 1.67 0.00 -1.98 -1.82 119.26 118.42 3fkj h ALA 4 Ca 0.27 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3fkj h ALA 4 Cb 0.28 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 3fkj h ALA 4 CO -0.25 0.14 -0.13 1.25 0.00 0.00 0.00 179.25 180.27 3fkj h HIS 5 N 0.19 -0.29 -0.36 0.00 6.17 -1.86 -0.84 115.15 118.15 3fkj h HIS 5 Ca 0.06 0.04 -0.12 0.00 0.71 0.00 0.00 60.37 61.05 3fkj h HIS 5 Cb 0.56 0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.67 3fkj h HIS 5 CO 0.06 -0.20 -0.24 1.49 0.71 0.00 0.00 177.93 179.74 3fkj h GLU 6 N -0.04 0.81 0.19 5.26 4.81 -1.13 -1.23 114.58 123.25 3fkj h GLU 6 Ca 0.19 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3fkj h GLU 6 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3fkj h GLU 6 CO -0.43 1.01 -0.24 -0.91 -0.73 0.00 0.00 179.01 177.71 3fkj h ASN 7 N 0.60 -0.65 -0.62 1.04 2.35 -1.21 -0.94 115.58 116.15 3fkj h ASN 7 Ca 0.07 0.07 0.09 0.00 -0.55 0.00 0.00 56.30 55.98 3fkj h ASN 7 Cb 0.80 0.23 -0.07 0.00 0.05 0.00 0.00 38.32 39.34 3fkj h ASN 7 CO 0.07 -0.34 0.26 0.00 -1.65 0.00 0.00 177.43 175.77 3fkj h ALA 8 N 0.23 0.82 -0.30 -0.83 0.00 -1.10 -0.82 119.26 117.25 3fkj h ALA 8 Ca 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3fkj h ALA 8 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fkj h ALA 8 CO -0.08 -0.14 -0.17 -0.09 0.00 0.00 0.00 179.25 178.77 3fkj h ARG 9 N 0.47 0.65 -0.56 0.00 2.43 -1.02 -2.28 114.38 114.06 3fkj h ARG 9 Ca 0.31 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3fkj h ARG 9 Cb 0.34 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3fkj h ARG 9 CO -0.28 0.88 0.19 0.00 -1.51 0.00 0.00 179.97 179.25 3fkj h ARG 10 N 0.40 0.87 -0.40 0.20 3.08 -0.97 -2.03 114.38 115.53 3fkj h ARG 10 Ca 0.07 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3fkj h ARG 10 Cb 0.70 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3fkj h ARG 10 CO 0.05 0.77 0.23 0.82 -1.07 0.00 0.00 179.97 180.77 3fkj h ILE 11 N 0.78 1.15 -0.15 2.04 2.04 -1.01 -1.31 117.51 121.05 3fkj h ILE 11 Ca 0.18 -0.37 -0.18 0.00 1.00 0.00 0.00 64.86 65.49 3fkj h ILE 11 Cb 0.26 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3fkj h ILE 11 CO -0.01 0.15 -0.66 0.40 0.00 0.00 0.00 178.15 178.04 3fkj h ILE 12 N 0.52 1.33 -0.21 -0.67 1.08 -1.37 -1.38 117.51 116.81 3fkj h ILE 12 Ca 0.14 -1.95 -0.00 0.00 -0.39 0.00 0.00 64.86 62.66 3fkj h ILE 12 Cb 0.04 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 3fkj h ILE 12 CO -0.02 0.60 0.12 0.28 -0.69 0.00 0.00 178.15 178.43 3fkj h SER 13 N 0.41 0.26 -0.34 1.72 0.02 -1.30 -0.93 113.55 113.39 3fkj h SER 13 Ca -0.02 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3fkj h SER 13 Cb 1.23 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 3fkj h SER 13 CO 0.12 0.26 0.11 -0.78 -1.14 0.00 0.00 176.83 175.41 3fkj h ASP 14 N 0.24 0.11 -0.36 3.07 3.58 -1.08 -1.29 116.42 120.68 3fkj h ASP 14 Ca 0.07 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 3fkj h ASP 14 Cb 0.06 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3fkj h ASP 14 CO -0.01 0.10 0.21 0.40 -2.88 0.00 0.00 179.24 177.06 3fkj h ILE 15 N 0.25 1.13 0.00 2.25 2.04 -1.18 -2.64 117.51 119.36 3fkj h ILE 15 Ca 0.16 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3fkj h ILE 15 Cb 0.14 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3fkj h ILE 15 CO -0.17 0.13 -0.09 -0.07 0.00 0.00 0.00 178.15 177.95 3fkj h LEU 16 N 0.47 0.00 -0.89 1.44 3.38 -0.77 -0.67 115.31 118.27 3fkj h LEU 16 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fkj h LEU 16 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3fkj h LEU 16 CO -0.02 0.09 0.00 1.23 0.09 0.00 0.00 178.44 179.83 3fkj h GLY 17 N 0.49 0.00 0.00 0.83 0.00 -0.86 -3.30 103.07 100.22 3fkj h GLY 17 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fkj h GLY 17 CO 0.01 0.00 -0.65 0.28 0.00 0.00 0.00 176.54 176.19 3fkj n LYS 18 N -2.36 2.68 -3.83 4.80 5.02 -0.38 -5.09 118.16 119.00 3fkj n LYS 18 Ca 0.02 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 3fkj n LYS 18 Cb 0.22 -0.83 0.01 0.00 -0.02 0.00 0.00 35.03 34.41 3fkj n LYS 18 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3fkj s GLN 19 N -1.68 1.93 0.47 1.97 -2.07 -0.47 -5.11 119.66 114.70 3fkj s GLN 19 Ca -0.00 -1.21 -0.11 0.00 -1.82 0.00 0.00 55.36 52.22 3fkj s GLN 19 Cb 0.01 0.56 -0.06 0.00 -1.09 0.00 0.00 33.01 32.43 3fkj s GLN 19 CO 0.04 -0.90 0.86 -0.80 -1.32 0.00 0.00 175.29 173.16 3fkj s ASN 20 N -3.11 6.46 -0.61 12.60 0.01 -1.26 -4.26 114.94 124.78 3fkj s ASN 20 Ca 0.16 1.24 -0.05 0.00 -0.71 0.00 0.00 52.86 53.49 3fkj s ASN 20 Cb -0.05 -2.37 0.16 0.00 0.41 0.00 0.00 41.25 39.40 3fkj s ASN 20 CO 0.09 -0.53 0.45 -0.63 -1.51 0.00 0.00 177.10 174.96 3fkj s ILE 21 N -2.60 4.01 -0.14 0.60 1.01 -1.26 -4.38 121.20 118.44 3fkj s ILE 21 Ca 0.53 -2.62 0.18 0.00 0.00 0.00 0.00 60.65 58.74 3fkj s ILE 21 Cb -0.10 -3.61 -0.25 0.00 0.01 0.00 0.00 42.46 38.51 3fkj s ILE 21 CO 0.36 -0.86 0.30 -0.62 0.00 0.00 0.00 174.94 174.12 3fkj n GLU 22 N 3.89 0.67 -3.86 2.79 1.02 0.26 -4.92 120.64 120.49 3fkj n GLU 22 Ca 0.05 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 3fkj n GLU 22 Cb 0.40 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 30.11 3fkj n GLU 22 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3fkj s ARG 23 N -2.74 0.13 -0.03 3.49 0.52 -1.17 -2.58 118.95 116.58 3fkj s ARG 23 Ca -0.08 0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.21 3fkj s ARG 23 Cb 0.08 0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.59 3fkj s ARG 23 CO 0.84 -0.02 -0.24 0.08 0.02 0.00 0.00 175.30 175.98 3fkj s VAL 24 N -0.17 2.21 -0.10 3.52 1.01 -0.38 -0.97 120.40 125.52 3fkj s VAL 24 Ca -0.02 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.94 3fkj s VAL 24 Cb -0.02 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3fkj s VAL 24 CO 0.00 0.58 -0.21 0.26 0.00 0.00 0.00 175.10 175.73 3fkj s TRP 25 N -0.61 2.61 -0.26 5.22 0.51 0.19 -0.06 118.94 126.54 3fkj s TRP 25 Ca 0.10 -0.83 -0.19 0.00 -2.12 0.00 0.00 56.10 53.06 3fkj s TRP 25 Cb -0.10 -1.72 -0.02 0.00 -0.81 0.00 0.00 33.47 30.81 3fkj s TRP 25 CO -0.01 -0.29 0.55 -0.06 -0.51 0.00 0.00 176.95 176.63 3fkj s PHE 26 N 0.19 3.27 -0.06 -1.98 0.08 -0.14 0.08 117.98 119.42 3fkj s PHE 26 Ca -0.12 0.67 0.01 0.00 0.12 0.00 0.00 56.93 57.61 3fkj s PHE 26 Cb -0.16 -2.77 0.02 0.00 -0.57 0.00 0.00 43.02 39.54 3fkj s PHE 26 CO 0.07 -0.31 -0.08 0.08 -0.10 0.00 0.00 175.22 174.88 3fkj s VAL 27 N 2.38 0.80 -0.22 -0.44 1.01 -0.01 -0.87 120.40 123.04 3fkj s VAL 27 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3fkj s VAL 27 Cb -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3fkj s VAL 27 CO 0.09 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3fkj n GLY 28 N 4.03 -1.21 3.20 4.51 0.00 -1.10 -3.09 105.19 111.54 3fkj n GLY 28 Ca -0.23 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 3fkj n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkj n GLY 30 N 2.85 3.86 0.30 0.00 0.00 -1.26 -0.96 105.19 109.98 3fkj n GLY 30 Ca -0.17 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.08 3fkj n GLY 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fkj h GLY 31 N 0.00 0.00 1.22 -0.02 0.00 -1.97 -1.40 103.07 100.90 3fkj h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fkj h GLY 31 CO 0.00 0.00 -0.04 1.44 0.00 0.00 0.00 176.54 177.94 3fkj n SER 32 N -4.08 0.19 -0.13 0.19 7.64 -0.14 -1.54 113.62 115.75 3fkj n SER 32 Ca -0.02 -0.43 -0.26 0.00 1.01 0.00 0.00 58.87 59.17 3fkj n SER 32 Cb 0.15 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.08 3fkj n SER 32 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3fkj n LEU 33 N -1.11 2.20 0.28 -3.43 7.94 -0.61 -4.30 117.00 117.98 3fkj n LEU 33 Ca 0.16 0.24 0.16 0.00 -1.11 0.00 0.00 56.01 55.45 3fkj n LEU 33 Cb 0.24 -0.87 0.83 0.00 0.53 0.00 0.00 43.42 44.14 3fkj n LEU 33 CO 0.23 0.64 1.03 0.71 -1.11 0.00 0.00 177.39 178.88 3fkj h THR 34 N -0.73 0.32 0.00 1.96 1.35 -1.39 -1.22 112.91 113.20 3fkj h THR 34 Ca -0.63 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3fkj h THR 34 Cb 1.66 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3fkj h THR 34 CO -0.31 0.07 0.00 1.23 -0.25 0.00 0.00 175.52 176.26 3fkj h GLY 35 N 0.93 0.00 0.57 5.82 0.00 -1.52 -2.09 103.07 106.78 3fkj h GLY 35 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fkj h GLY 35 CO 0.01 0.00 -0.51 0.69 0.00 0.00 0.00 176.54 176.73 3fkj n PHE 36 N -2.40 0.00 -0.23 5.60 3.72 -0.46 -4.02 117.46 119.67 3fkj n PHE 36 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 3fkj n PHE 36 Cb 0.11 -0.17 0.14 0.00 -0.94 0.00 0.00 39.48 38.62 3fkj n PHE 36 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 3fkj h TRP 37 N 0.41 0.52 -0.65 1.38 2.91 -1.48 -0.99 115.95 118.05 3fkj h TRP 37 Ca 0.00 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.12 3fkj h TRP 37 Cb 0.51 -0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.97 3fkj h TRP 37 CO 0.00 0.14 0.33 -1.35 -1.03 0.00 0.00 178.44 176.54 3fkj h PRO 38 N 0.50 0.59 -0.34 2.65 0.11 -1.80 0.17 132.00 133.86 3fkj h PRO 38 Ca 0.35 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 3fkj h PRO 38 Cb 0.44 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3fkj h PRO 38 CO -0.32 0.39 -0.18 0.78 -0.21 0.00 0.00 178.00 178.46 3fkj h GLY 39 N 0.60 0.79 0.52 -0.55 0.00 -1.60 -2.41 103.07 100.42 3fkj h GLY 39 Ca 0.30 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.96 3fkj h GLY 39 CO -0.22 0.65 -0.14 1.70 0.00 0.00 0.00 176.54 178.53 3fkj h LYS 40 N 0.51 -0.17 -0.57 4.80 3.64 -0.78 -1.51 116.57 122.48 3fkj h LYS 40 Ca 0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3fkj h LYS 40 Cb 0.72 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3fkj h LYS 40 CO 0.05 -0.11 0.33 -0.92 -2.27 0.00 0.00 179.45 176.53 3fkj h TYR 41 N -0.18 0.77 -0.44 1.91 3.20 -0.72 0.26 116.97 121.78 3fkj h TYR 41 Ca 0.09 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.99 3fkj h TYR 41 Cb 0.30 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3fkj h TYR 41 CO -0.25 0.54 0.20 0.35 -1.64 0.00 0.00 178.16 177.36 3fkj h PHE 42 N 0.77 0.36 -0.24 -3.82 3.57 -1.21 -1.09 116.94 115.28 3fkj h PHE 42 Ca 0.20 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 3fkj h PHE 42 Cb 0.01 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3fkj h PHE 42 CO -0.02 0.17 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.79 3fkj h LEU 43 N 0.40 0.74 -1.34 0.59 3.38 -0.94 0.16 115.31 118.31 3fkj h LEU 43 Ca 0.20 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.71 3fkj h LEU 43 Cb 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3fkj h LEU 43 CO -0.16 1.12 0.50 0.44 0.09 0.00 0.00 178.44 180.43 3fkj h ASP 44 N 0.39 0.70 0.01 -0.43 3.32 -0.76 -0.25 116.42 119.40 3fkj h ASP 44 Ca 0.02 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.85 3fkj h ASP 44 Cb 0.96 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.39 3fkj h ASP 44 CO 0.09 0.45 -0.89 0.00 -1.72 0.00 0.00 179.24 177.17 3fkj n GLU 46 N -3.99 1.36 -2.72 0.00 -0.58 0.55 -4.96 120.64 110.30 3fkj n GLU 46 Ca -0.11 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.24 3fkj n GLU 46 Cb 0.81 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 3fkj n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fkj s ALA 47 N -2.32 3.47 -0.15 0.62 0.00 -0.14 -4.96 121.76 118.28 3fkj s ALA 47 Ca -0.12 0.28 0.19 0.00 0.00 0.00 0.00 51.96 52.32 3fkj s ALA 47 Cb 0.04 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 3fkj s ALA 47 CO 0.47 -0.68 0.78 0.43 0.00 0.00 0.00 175.76 176.77 3fkj n SER 48 N 5.24 0.67 -0.08 0.00 7.64 -1.26 -4.51 113.62 121.32 3fkj n SER 48 Ca 0.08 0.28 -0.06 0.00 1.01 0.00 0.00 58.87 60.19 3fkj n SER 48 Cb 0.48 0.57 -0.15 0.00 -1.01 0.00 0.00 64.21 64.11 3fkj n SER 48 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fkj n LYS 49 N -2.72 0.92 -2.56 1.43 5.02 -1.26 -5.00 118.16 113.99 3fkj n LYS 49 Ca -0.08 -0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.77 3fkj n LYS 49 Cb 0.74 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 3fkj n LYS 49 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3fkj s LEU 50 N -5.17 4.57 -0.22 -0.35 2.96 -1.26 -4.96 118.68 114.25 3fkj s LEU 50 Ca -0.09 2.16 -0.13 0.00 -0.22 0.00 0.00 54.13 55.86 3fkj s LEU 50 Cb 0.07 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 3fkj s LEU 50 CO 0.77 -0.07 0.25 0.00 -1.32 0.00 0.00 176.35 175.98 3fkj s ALA 51 N -1.05 3.60 -0.17 5.97 0.00 -1.06 -5.02 121.76 124.03 3fkj s ALA 51 Ca 0.44 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3fkj s ALA 51 Cb -0.30 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.42 3fkj s ALA 51 CO 0.38 -0.17 -0.19 0.08 0.00 0.00 0.00 175.76 175.86 3fkj s VAL 52 N 1.02 2.16 0.24 0.00 1.01 -1.26 -1.25 120.40 122.31 3fkj s VAL 52 Ca 0.12 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.26 3fkj s VAL 52 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3fkj s VAL 52 CO 0.05 0.54 0.09 -0.83 0.00 0.00 0.00 175.10 174.95 3fkj s GLY 53 N 1.15 1.57 -0.28 4.51 0.00 0.91 -5.00 107.32 110.17 3fkj s GLY 53 Ca 0.01 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.29 3fkj s GLY 53 CO -0.09 -1.51 0.50 -0.47 0.00 0.00 0.00 173.10 171.53 3fkj s TYR 54 N -2.10 -1.38 -0.09 1.90 5.04 -1.26 -0.96 117.35 118.50 3fkj s TYR 54 Ca 0.31 0.89 -0.09 0.00 -2.44 0.00 0.00 57.07 55.74 3fkj s TYR 54 Cb -0.08 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.41 3fkj s TYR 54 CO 0.22 -0.97 0.26 -1.50 -1.34 0.00 0.00 175.55 172.22 3fkj s ILE 55 N 2.69 0.00 0.26 3.14 1.10 -0.05 -4.99 121.20 123.35 3fkj s ILE 55 Ca 0.12 -0.03 -0.30 0.00 -0.51 0.00 0.00 60.65 59.94 3fkj s ILE 55 Cb -0.12 -0.37 -0.09 0.00 0.15 0.00 0.00 42.46 42.02 3fkj s ILE 55 CO -0.25 -0.02 1.29 0.28 -2.11 0.00 0.00 174.94 174.13 3fkj s THR 56 N 0.06 3.04 0.16 4.00 -1.32 -1.26 -2.70 115.64 117.64 3fkj s THR 56 Ca -0.01 0.94 -0.16 0.00 -1.21 0.00 0.00 61.69 61.26 3fkj s THR 56 Cb -0.02 -3.60 0.06 0.00 -1.51 0.00 0.00 72.50 67.43 3fkj s THR 56 CO 0.00 0.18 1.71 0.28 -2.21 0.00 0.00 174.62 174.59 3fkj h SER 57 N 4.43 -0.06 0.80 8.08 0.02 -1.78 -1.77 113.55 123.27 3fkj h SER 57 Ca -0.47 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.49 3fkj h SER 57 Cb 1.22 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 3fkj h SER 57 CO 0.72 0.01 -0.35 -1.13 -1.14 0.00 0.00 176.83 174.93 3fkj h ASN 58 N 0.16 0.00 -0.35 3.07 -1.24 -1.90 -0.63 115.58 114.69 3fkj h ASN 58 Ca 0.19 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.05 3fkj h ASN 58 Cb 0.25 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 3fkj h ASN 58 CO -0.28 0.35 -0.37 -0.08 -1.29 0.00 0.00 177.43 175.76 3fkj h GLU 59 N 0.00 0.88 -0.76 6.67 4.81 -1.73 -1.97 114.58 122.48 3fkj h GLU 59 Ca -0.00 -0.47 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 3fkj h GLU 59 Cb 0.84 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 3fkj h GLU 59 CO 0.05 1.12 0.47 0.35 -0.73 0.00 0.00 179.01 180.27 3fkj h PHE 60 N 0.68 0.88 -0.33 0.92 3.57 -0.90 0.13 116.94 121.89 3fkj h PHE 60 Ca 0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3fkj h PHE 60 Cb 0.97 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3fkj h PHE 60 CO 0.07 0.49 0.10 0.28 -2.23 0.00 0.00 178.31 177.01 3fkj h VAL 61 N 0.91 1.21 0.09 1.41 2.07 -1.13 -3.02 116.25 117.79 3fkj h VAL 61 Ca 0.31 -0.70 -0.31 0.00 0.82 0.00 0.00 66.70 66.82 3fkj h VAL 61 Cb 0.06 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3fkj h VAL 61 CO -0.13 0.24 -1.65 0.45 0.02 0.00 0.00 177.57 176.50 3fkj h HIS 62 N 0.39 0.36 -2.30 1.57 3.86 -1.06 -3.38 115.15 114.58 3fkj h HIS 62 Ca 0.11 -0.26 -0.60 0.00 -1.16 0.00 0.00 60.37 58.46 3fkj h HIS 62 Cb 0.27 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 28.31 3fkj h HIS 62 CO 0.01 1.38 -0.69 0.00 0.86 0.00 0.00 177.93 179.49 3fkj n ALA 63 N -2.70 3.65 -2.21 2.45 0.00 0.44 -5.09 120.51 117.05 3fkj n ALA 63 Ca -0.19 -4.44 -0.42 0.00 0.00 0.00 0.00 53.44 48.39 3fkj n ALA 63 Cb 1.04 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 3fkj n ALA 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fkj s THR 64 N -2.01 3.66 0.26 0.00 2.01 -1.14 -4.59 115.64 113.84 3fkj s THR 64 Ca 0.37 1.07 -0.31 0.00 0.31 0.00 0.00 61.69 63.13 3fkj s THR 64 Cb 0.12 -3.69 -0.12 0.00 0.01 0.00 0.00 72.50 68.82 3fkj s THR 64 CO -0.06 0.01 1.61 -0.81 -0.69 0.00 0.00 174.62 174.67 3fkj n PRO 65 N 5.23 2.64 0.27 4.92 -0.04 -1.26 -4.89 135.00 141.87 3fkj n PRO 65 Ca 0.13 0.94 0.18 0.00 -0.04 0.00 0.00 63.50 64.71 3fkj n PRO 65 Cb 0.43 -2.73 0.86 0.00 -0.04 0.00 0.00 33.50 32.02 3fkj n PRO 65 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3fkj h LYS 66 N 5.22 0.00 0.00 0.54 1.57 -2.02 -2.31 116.57 119.57 3fkj h LYS 66 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3fkj h LYS 66 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3fkj h LYS 66 CO 0.83 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 3fkj h ALA 67 N 2.03 1.00 -2.52 3.86 0.00 -2.03 -3.44 119.26 118.16 3fkj h ALA 67 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3fkj h ALA 67 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fkj h ALA 67 CO 0.00 0.00 0.71 -1.17 0.00 0.00 0.00 179.25 178.79 3fkj s LEU 68 N -4.78 4.37 0.00 0.00 2.96 -0.87 -4.91 118.68 115.45 3fkj s LEU 68 Ca 0.04 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 3fkj s LEU 68 Cb 0.09 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.20 3fkj s LEU 68 CO 0.43 -0.64 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 3fkj n GLY 69 N 3.48 1.40 0.35 7.98 0.00 -1.26 -4.93 105.19 112.20 3fkj n GLY 69 Ca 0.11 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3fkj n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fkj h LYS 70 N 0.00 0.74 -0.67 1.61 1.57 -1.69 -1.11 116.57 117.02 3fkj h LYS 70 Ca 0.00 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 3fkj h LYS 70 Cb 0.00 -0.17 -0.14 0.00 0.08 0.00 0.00 32.23 32.00 3fkj h LYS 70 CO 0.00 0.49 0.25 0.09 -0.57 0.00 0.00 179.45 179.71 3fkj n ASN 71 N -4.77 4.24 -4.86 0.86 3.02 -1.26 -4.63 115.26 107.85 3fkj n ASN 71 Ca 0.23 -3.34 -0.29 0.00 -0.03 0.00 0.00 54.58 51.15 3fkj n ASN 71 Cb 0.55 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 3fkj n ASN 71 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fkj s SER 72 N -1.40 5.97 -0.10 6.41 0.01 -0.43 -0.58 113.70 123.59 3fkj s SER 72 Ca 0.53 0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.92 3fkj s SER 72 Cb 0.43 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.94 3fkj s SER 72 CO 0.11 0.13 -0.21 -0.69 0.41 0.00 0.00 173.24 172.98 3fkj s VAL 73 N -1.56 1.88 -0.18 3.43 1.01 -0.14 -1.76 120.40 123.07 3fkj s VAL 73 Ca 0.33 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3fkj s VAL 73 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3fkj s VAL 73 CO 0.26 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 175.05 3fkj s VAL 74 N 0.46 2.63 -0.24 2.92 1.01 0.11 -0.64 120.40 126.66 3fkj s VAL 74 Ca -0.17 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3fkj s VAL 74 Cb -0.17 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3fkj s VAL 74 CO 0.07 0.50 -0.03 -0.63 0.00 0.00 0.00 175.10 175.00 3fkj s ILE 75 N 1.18 3.26 0.09 2.22 1.01 0.11 -0.73 121.20 128.35 3fkj s ILE 75 Ca 0.02 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.04 3fkj s ILE 75 Cb -0.14 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3fkj s ILE 75 CO -0.06 0.30 -0.20 -0.76 0.00 0.00 0.00 174.94 174.22 3fkj s LEU 76 N 1.42 2.59 0.02 2.97 1.02 0.72 -0.83 118.68 126.59 3fkj s LEU 76 Ca 0.03 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.67 3fkj s LEU 76 Cb -0.15 -1.48 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 3fkj s LEU 76 CO -0.03 0.20 -0.11 0.00 0.02 0.00 0.00 176.35 176.43 3fkj s ALA 77 N -1.05 0.91 -0.26 4.21 0.00 -1.18 -0.00 121.76 124.38 3fkj s ALA 77 Ca 0.16 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 3fkj s ALA 77 Cb -0.10 -0.16 0.10 0.00 0.00 0.00 0.00 23.12 22.96 3fkj s ALA 77 CO 0.08 0.17 0.60 0.45 0.00 0.00 0.00 175.76 177.06 3fkj s SER 78 N -0.77 -0.87 0.01 0.00 0.15 -0.65 -4.59 113.70 106.97 3fkj s SER 78 Ca 0.01 1.39 -0.02 0.00 0.70 0.00 0.00 55.95 58.03 3fkj s SER 78 Cb -0.06 1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 65.90 3fkj s SER 78 CO 0.00 -0.23 1.03 -0.61 1.20 0.00 0.00 173.24 174.64 3fkj h GLN 79 N 7.56 -0.04 -0.12 5.44 5.75 -1.95 -3.05 115.11 128.69 3fkj h GLN 79 Ca -0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3fkj h GLN 79 Cb 1.16 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.72 3fkj h GLN 79 CO 0.15 -0.03 0.00 1.04 -2.65 0.00 0.00 178.83 177.34 3fkj n GLN 80 N -2.58 1.44 -1.11 1.69 1.13 -1.26 -1.48 117.38 115.21 3fkj n GLN 80 Ca -0.00 -0.67 -0.04 0.00 -1.94 0.00 0.00 57.00 54.35 3fkj n GLN 80 Cb 0.02 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.05 3fkj n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fkj n GLY 81 N 0.95 0.59 0.00 1.08 0.00 -1.15 -4.73 105.19 101.93 3fkj n GLY 81 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3fkj n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fkj n ASN 82 N -0.15 0.62 -4.47 1.61 0.23 -1.26 0.46 115.26 112.30 3fkj n ASN 82 Ca -0.04 -0.95 -0.45 0.00 -0.53 0.00 0.00 54.58 52.61 3fkj n ASN 82 Cb 0.27 0.05 -0.10 0.00 -2.08 0.00 0.00 39.78 37.92 3fkj n ASN 82 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3fkj n THR 83 N -0.05 0.03 -0.32 5.53 -1.04 -1.26 -4.75 114.28 112.43 3fkj n THR 83 Ca 0.00 -0.26 0.17 0.00 -2.04 0.00 0.00 64.05 61.91 3fkj n THR 83 Cb 0.08 -1.37 0.36 0.00 -1.82 0.00 0.00 70.33 67.58 3fkj n THR 83 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fkj h ALA 84 N 13.55 1.60 0.00 2.41 0.00 -1.99 0.52 119.26 135.35 3fkj h ALA 84 Ca -0.16 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3fkj h ALA 84 Cb 1.32 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 3fkj h ALA 84 CO 1.19 -0.41 -0.55 1.05 0.00 0.00 0.00 179.25 180.54 3fkj h GLU 85 N 0.38 0.00 -0.02 0.00 9.09 -1.96 -1.03 114.58 121.03 3fkj h GLU 85 Ca 0.62 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.84 3fkj h GLU 85 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 3fkj h GLU 85 CO -0.56 0.55 -0.81 1.15 0.05 0.00 0.00 179.01 179.38 3fkj h THR 86 N 0.00 1.44 -0.36 -1.06 2.02 -1.26 -0.91 112.91 112.78 3fkj h THR 86 Ca -0.01 -2.40 -0.07 0.00 0.77 0.00 0.00 66.41 64.70 3fkj h THR 86 Cb 1.04 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 3fkj h THR 86 CO 0.07 0.71 -0.05 0.58 0.37 0.00 0.00 175.52 177.20 3fkj h VAL 87 N 0.17 1.27 -0.43 3.16 2.07 -1.05 -2.42 116.25 119.01 3fkj h VAL 87 Ca -0.04 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 3fkj h VAL 87 Cb 1.41 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3fkj h VAL 87 CO 0.13 0.36 -0.03 0.00 0.02 0.00 0.00 177.57 178.05 3fkj h ALA 88 N 0.84 1.14 -0.37 1.67 0.00 -1.17 -1.54 119.26 119.83 3fkj h ALA 88 Ca 0.10 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3fkj h ALA 88 Cb 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3fkj h ALA 88 CO 0.03 0.55 0.17 0.00 0.00 0.00 0.00 179.25 180.00 3fkj h ALA 89 N 1.30 0.45 -0.70 0.00 0.00 -1.08 0.38 119.26 119.62 3fkj h ALA 89 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3fkj h ALA 89 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3fkj h ALA 89 CO 0.02 -0.20 0.31 0.00 0.00 0.00 0.00 179.25 179.38 3fkj h ALA 90 N 1.20 1.24 0.01 0.00 0.00 -1.12 -0.33 119.26 120.26 3fkj h ALA 90 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fkj h ALA 90 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fkj h ALA 90 CO -0.12 0.57 -0.01 -0.09 0.00 0.00 0.00 179.25 179.60 3fkj h ARG 91 N 0.99 -0.02 -0.66 0.00 2.43 -1.03 -1.77 114.38 114.33 3fkj h ARG 91 Ca 0.24 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3fkj h ARG 91 Cb 0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3fkj h ARG 91 CO -0.03 0.25 0.43 0.28 -1.51 0.00 0.00 179.97 179.40 3fkj h VAL 92 N -0.28 1.17 -0.07 0.20 2.07 -0.79 0.22 116.25 118.77 3fkj h VAL 92 Ca -0.00 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3fkj h VAL 92 Cb 0.27 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3fkj h VAL 92 CO 0.00 0.16 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 3fkj h ALA 93 N 1.24 0.04 -0.83 1.67 0.00 -0.97 -1.17 119.26 119.24 3fkj h ALA 93 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3fkj h ALA 93 Cb -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3fkj h ALA 93 CO -0.05 -0.50 0.46 -0.09 0.00 0.00 0.00 179.25 179.07 3fkj h ARG 94 N -0.02 1.16 0.00 0.00 2.43 -1.12 -1.51 114.38 115.32 3fkj h ARG 94 Ca 0.04 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3fkj h ARG 94 Cb 0.07 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3fkj h ARG 94 CO -0.08 0.85 -0.05 0.93 -1.51 0.00 0.00 179.97 180.11 3fkj h GLU 95 N 1.16 0.00 0.00 0.20 5.08 -0.44 -2.25 114.58 118.33 3fkj h GLU 95 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3fkj h GLU 95 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3fkj h GLU 95 CO -0.05 0.05 -0.32 1.63 -1.00 0.00 0.00 179.01 179.32 3fkj n LYS 96 N -4.15 0.11 -0.02 2.33 4.01 -0.49 -4.95 118.16 115.01 3fkj n LYS 96 Ca -0.03 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 3fkj n LYS 96 Cb 0.13 -1.59 0.00 0.00 -0.51 0.00 0.00 35.03 33.06 3fkj n LYS 96 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3fkj n GLY 97 N 1.43 0.69 3.78 0.72 0.00 -0.84 -3.89 105.19 107.08 3fkj n GLY 97 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3fkj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkj s ALA 98 N -2.03 2.99 0.28 4.61 0.00 -0.62 -3.99 121.76 123.00 3fkj s ALA 98 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 3fkj s ALA 98 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3fkj s ALA 98 CO 0.00 -0.39 1.18 0.00 0.00 0.00 0.00 175.76 176.55 3fkj s ALA 99 N -1.69 3.44 -0.11 0.00 0.00 -0.72 -4.22 121.76 118.46 3fkj s ALA 99 Ca 0.62 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.61 3fkj s ALA 99 Cb -0.23 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 3fkj s ALA 99 CO 0.28 -0.33 -0.17 0.95 0.00 0.00 0.00 175.76 176.49 3fkj s THR 100 N -0.93 2.76 -0.19 0.00 -4.23 -1.26 0.08 115.64 111.87 3fkj s THR 100 Ca 0.47 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 60.20 3fkj s THR 100 Cb -0.34 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3fkj s THR 100 CO 0.43 0.54 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.30 3fkj s ILE 101 N 0.15 2.69 -0.23 2.99 1.01 0.09 -1.91 121.20 126.00 3fkj s ILE 101 Ca -0.09 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 3fkj s ILE 101 Cb -0.15 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3fkj s ILE 101 CO 0.05 0.49 0.04 -0.83 0.00 0.00 0.00 174.94 174.69 3fkj s GLY 102 N 1.23 1.74 -0.25 6.18 0.00 0.54 -0.20 107.32 116.57 3fkj s GLY 102 Ca 0.03 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.53 3fkj s GLY 102 CO -0.06 0.41 0.34 1.08 0.00 0.00 0.00 173.10 174.86 3fkj s LEU 103 N 1.35 4.08 0.08 0.66 1.02 1.00 -0.39 118.68 126.48 3fkj s LEU 103 Ca 0.05 0.30 0.04 0.00 0.02 0.00 0.00 54.13 54.54 3fkj s LEU 103 Cb -0.15 -2.38 -0.03 0.00 0.02 0.00 0.00 46.19 43.65 3fkj s LEU 103 CO 0.02 -0.11 -0.11 0.68 0.02 0.00 0.00 176.35 176.85 3fkj s VAL 104 N 1.71 0.92 -0.17 -1.59 -7.23 -0.12 -1.64 120.40 112.27 3fkj s VAL 104 Ca 0.14 -1.50 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 3fkj s VAL 104 Cb -0.15 -1.20 -0.22 0.00 0.56 0.00 0.00 36.38 35.37 3fkj s VAL 104 CO 0.09 -0.47 0.21 0.00 -0.31 0.00 0.00 175.10 174.61 3fkj n TYR 105 N 0.82 0.97 -3.40 2.82 9.36 -0.55 -1.43 117.16 125.75 3fkj n TYR 105 Ca -0.18 0.28 -0.40 0.00 3.32 0.00 0.00 57.90 60.92 3fkj n TYR 105 Cb 0.57 -1.12 -0.09 0.00 -0.63 0.00 0.00 39.34 38.07 3fkj n TYR 105 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3fkj s GLN 106 N -2.49 3.88 0.87 2.98 -1.52 -1.02 -4.81 119.66 117.55 3fkj s GLN 106 Ca -0.27 -0.10 -0.12 0.00 -1.95 0.00 0.00 55.36 52.92 3fkj s GLN 106 Cb 0.07 -3.70 0.11 0.00 -0.22 0.00 0.00 33.01 29.27 3fkj s GLN 106 CO 0.68 -0.35 1.10 -1.25 -0.25 0.00 0.00 175.29 175.21 3fkj s PRO 107 N 2.06 1.49 -1.87 2.91 0.04 -1.26 -3.86 135.00 134.51 3fkj s PRO 107 Ca 0.14 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.85 3fkj s PRO 107 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3fkj s PRO 107 CO 0.11 -2.04 0.00 -0.25 0.04 0.00 0.00 177.00 174.85 3fkj n ASP 108 N -3.72 -5.04 -4.93 6.66 9.92 -1.26 -4.98 116.55 113.19 3fkj n ASP 108 Ca 0.07 0.34 -0.25 0.00 -0.53 0.00 0.00 54.79 54.42 3fkj n ASP 108 Cb 0.56 -4.42 -0.01 0.00 -0.64 0.00 0.00 41.12 36.61 3fkj n ASP 108 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3fkj s THR 109 N -2.68 5.07 0.53 -3.53 -4.23 -1.25 -4.98 115.64 104.57 3fkj s THR 109 Ca 0.00 -0.30 0.29 0.00 -1.18 0.00 0.00 61.69 60.50 3fkj s THR 109 Cb 0.00 -3.84 0.46 0.00 1.34 0.00 0.00 72.50 70.46 3fkj s THR 109 CO 0.00 -0.55 1.91 -0.65 -0.54 0.00 0.00 174.62 174.79 3fkj h PRO 110 N 0.85 0.04 -0.95 3.99 0.11 -1.68 -0.51 132.00 133.85 3fkj h PRO 110 Ca -0.49 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3fkj h PRO 110 Cb 1.21 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3fkj h PRO 110 CO 0.62 0.02 0.62 1.25 -0.21 0.00 0.00 178.00 180.31 3fkj h LEU 111 N 0.04 0.99 -1.33 2.35 5.85 -0.37 -2.49 115.31 120.35 3fkj h LEU 111 Ca 0.39 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.30 3fkj h LEU 111 Cb 1.52 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 3fkj h LEU 111 CO -0.02 0.65 0.60 0.00 -0.34 0.00 0.00 178.44 179.33 3fkj h GLU 113 N 0.56 0.72 -0.42 0.00 4.81 -1.59 -2.05 114.58 116.63 3fkj h GLU 113 Ca 0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3fkj h GLU 113 Cb 1.01 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3fkj h GLU 113 CO -0.24 0.47 0.00 0.66 -0.73 0.00 0.00 179.01 179.18 3fkj n TYR 114 N -4.79 1.30 -3.65 0.92 4.01 -0.90 -4.90 117.16 109.15 3fkj n TYR 114 Ca 0.21 -0.76 -0.38 0.00 -0.16 0.00 0.00 57.90 56.81 3fkj n TYR 114 Cb 0.52 -0.33 -0.12 0.00 -0.31 0.00 0.00 39.34 39.10 3fkj n TYR 114 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3fkj s SER 115 N -1.37 5.59 0.27 7.72 0.01 -0.77 -4.68 113.70 120.47 3fkj s SER 115 Ca 0.45 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 3fkj s SER 115 Cb 0.34 -2.02 0.37 0.00 0.21 0.00 0.00 66.02 64.93 3fkj s SER 115 CO 0.14 -0.17 1.76 0.44 0.41 0.00 0.00 173.24 175.82 3fkj h ASP 116 N 8.35 0.69 -4.18 2.44 3.32 -1.68 -3.43 116.42 121.93 3fkj h ASP 116 Ca -0.33 -0.17 -0.44 0.00 0.02 0.00 0.00 57.03 56.10 3fkj h ASP 116 Cb 1.15 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.24 3fkj h ASP 116 CO 0.61 0.79 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.81 3fkj s TYR 117 N -4.90 1.10 -0.09 4.55 1.51 -0.91 -5.03 117.35 113.58 3fkj s TYR 117 Ca -0.09 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3fkj s TYR 117 Cb 0.15 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 3fkj s TYR 117 CO 0.80 -0.01 -0.21 0.42 -1.11 0.00 0.00 175.55 175.45 3fkj s ILE 118 N -0.40 1.80 -0.17 2.71 1.01 -1.26 -0.34 121.20 124.55 3fkj s ILE 118 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 3fkj s ILE 118 Cb -0.05 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 3fkj s ILE 118 CO -0.00 0.50 -0.13 -0.63 0.00 0.00 0.00 174.94 174.68 3fkj s ILE 119 N 0.45 2.85 -0.60 2.92 1.01 0.48 -4.96 121.20 123.34 3fkj s ILE 119 Ca -0.17 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 3fkj s ILE 119 Cb -0.17 -2.23 0.10 0.00 0.01 0.00 0.00 42.46 40.17 3fkj s ILE 119 CO 0.07 0.50 0.73 -1.61 0.00 0.00 0.00 174.94 174.63 3fkj s GLU 120 N 0.94 3.06 0.71 2.79 2.02 -1.26 -0.95 118.70 126.02 3fkj s GLU 120 Ca -0.02 -1.29 -0.11 0.00 0.02 0.00 0.00 54.97 53.56 3fkj s GLU 120 Cb -0.15 -4.27 0.02 0.00 0.10 0.00 0.00 34.13 29.83 3fkj s GLU 120 CO -0.01 -1.57 1.09 1.52 0.02 0.00 0.00 175.26 176.30 3fkj s TYR 121 N 2.80 3.25 0.09 1.61 -0.85 -0.52 -4.98 117.35 118.76 3fkj s TYR 121 Ca 0.13 1.12 -0.02 0.00 -0.52 0.00 0.00 57.07 57.78 3fkj s TYR 121 Cb -0.23 -3.03 -0.05 0.00 0.38 0.00 0.00 41.96 39.04 3fkj s TYR 121 CO 0.06 -1.24 0.27 -0.65 -1.52 0.00 0.00 175.55 172.48 3fkj s GLN 122 N -5.28 3.50 -0.21 -3.49 -0.21 0.30 -4.60 119.66 109.68 3fkj s GLN 122 Ca 0.58 -0.32 -0.18 0.00 0.02 0.00 0.00 55.36 55.46 3fkj s GLN 122 Cb -0.12 -2.97 0.06 0.00 1.00 0.00 0.00 33.01 30.98 3fkj s GLN 122 CO 0.53 0.56 0.56 -0.46 -2.12 0.00 0.00 175.29 174.35 3fkj s TRP 123 N -1.57 -0.65 0.05 0.91 -0.00 -1.26 -4.12 118.94 112.29 3fkj s TRP 123 Ca 0.37 1.54 -0.02 0.00 -0.00 0.00 0.00 56.10 57.99 3fkj s TRP 123 Cb -0.13 0.25 -0.03 0.00 -0.00 0.00 0.00 33.47 33.56 3fkj s TRP 123 CO 0.27 -0.32 0.01 0.00 -0.00 0.00 0.00 176.95 176.90 3fkj s ALA 124 N 0.50 0.32 -0.43 5.86 0.00 -1.26 -4.92 121.76 121.82 3fkj s ALA 124 Ca -0.02 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 3fkj s ALA 124 Cb -0.04 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3fkj s ALA 124 CO -0.02 -0.35 0.93 0.50 0.00 0.00 0.00 175.76 176.82 3fkj s ARG 125 N -3.44 3.64 0.15 0.00 3.52 -1.26 -4.82 118.95 116.74 3fkj s ARG 125 Ca 0.02 0.31 -0.33 0.00 -0.13 0.00 0.00 55.73 55.60 3fkj s ARG 125 Cb 0.04 -3.89 -0.16 0.00 -1.56 0.00 0.00 34.95 29.38 3fkj s ARG 125 CO -0.08 -1.15 1.10 0.98 -0.81 0.00 0.00 175.30 175.34 3fkj n TYR 126 N 7.08 1.07 1.82 5.12 9.36 -1.26 -1.12 117.16 139.23 3fkj n TYR 126 Ca 0.07 0.75 0.14 0.00 3.32 0.00 0.00 57.90 62.18 3fkj n TYR 126 Cb 0.48 -2.23 0.75 0.00 -0.63 0.00 0.00 39.34 37.72 3fkj n TYR 126 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fkj n PRO 127 N 1.66 1.22 -2.27 2.98 -0.04 -1.26 -5.04 135.00 132.24 3fkj n PRO 127 Ca 0.16 -0.32 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 3fkj n PRO 127 Cb 0.23 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 3fkj n PRO 127 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fkj s GLU 128 N -1.99 3.92 0.14 0.54 2.02 -0.27 -5.04 118.70 118.03 3fkj s GLU 128 Ca 0.42 1.82 0.00 0.00 0.02 0.00 0.00 54.97 57.23 3fkj s GLU 128 Cb 0.20 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 3fkj s GLU 128 CO 0.33 -0.43 0.02 0.95 0.02 0.00 0.00 175.26 176.16 3fkj s THR 129 N -1.47 0.38 0.16 3.63 -4.23 -1.26 -4.27 115.64 108.59 3fkj s THR 129 Ca 0.60 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 3fkj s THR 129 Cb -0.30 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 3fkj s THR 129 CO 0.37 -0.51 0.11 1.33 -0.54 0.00 0.00 174.62 175.38 3fkj n VAL 130 N -0.15 0.00 -2.18 2.29 0.24 -1.26 -4.84 118.33 112.43 3fkj n VAL 130 Ca -0.07 -1.10 -0.43 0.00 -2.04 0.00 0.00 64.34 60.71 3fkj n VAL 130 Cb 0.63 0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 33.48 3fkj n VAL 130 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fkj s ASP 131 N -2.08 6.52 0.37 -1.34 2.15 -1.26 -4.91 116.67 116.11 3fkj s ASP 131 Ca 0.16 1.64 0.07 0.00 0.43 0.00 0.00 52.55 54.85 3fkj s ASP 131 Cb 0.01 -2.53 0.77 0.00 -0.30 0.00 0.00 42.92 40.86 3fkj s ASP 131 CO 0.11 -1.14 1.95 -0.65 -0.17 0.00 0.00 175.17 175.27 3fkj h PRO 132 N 10.10 0.70 0.00 4.34 0.11 -1.96 -2.15 132.00 143.15 3fkj h PRO 132 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3fkj h PRO 132 Cb 1.14 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3fkj h PRO 132 CO 1.00 0.47 0.00 0.00 -0.21 0.00 0.00 178.00 179.25 3fkj n ALA 133 N -2.45 1.34 -0.03 -0.75 0.00 -1.26 -2.00 120.51 115.36 3fkj n ALA 133 Ca 0.11 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.62 3fkj n ALA 133 Cb 0.26 -1.18 0.10 0.00 0.00 0.00 0.00 19.45 18.63 3fkj n ALA 133 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fkj n GLN 134 N -1.71 2.30 -1.89 0.00 6.02 -0.81 -4.64 117.38 116.65 3fkj n GLN 134 Ca 0.01 -1.74 -0.32 0.00 -0.01 0.00 0.00 57.00 54.95 3fkj n GLN 134 Cb 0.10 -1.21 0.02 0.00 1.02 0.00 0.00 30.24 30.17 3fkj n GLN 134 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3fkj s GLN 135 N -0.94 3.36 0.20 -1.09 -0.21 -0.85 -0.54 119.66 119.59 3fkj s GLN 135 Ca 0.17 0.96 -0.15 0.00 0.02 0.00 0.00 55.36 56.36 3fkj s GLN 135 Cb 0.09 -2.05 0.21 0.00 1.00 0.00 0.00 33.01 32.26 3fkj s GLN 135 CO 0.12 -0.76 1.63 -0.22 -2.12 0.00 0.00 175.29 173.94 3fkj h LYS 136 N -0.08 -0.02 -0.32 2.91 3.64 -1.89 -1.06 116.57 119.74 3fkj h LYS 136 Ca -0.45 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.81 3fkj h LYS 136 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3fkj h LYS 136 CO 0.59 -0.01 -0.31 0.00 -2.27 0.00 0.00 179.45 177.45 3fkj h ALA 137 N 1.54 0.85 -0.86 5.00 0.00 -1.94 -2.79 119.26 121.06 3fkj h ALA 137 Ca 0.28 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3fkj h ALA 137 Cb 0.45 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3fkj h ALA 137 CO -0.62 0.63 0.51 0.00 0.00 0.00 0.00 179.25 179.78 3fkj h ALA 138 N 1.07 1.22 0.00 0.00 0.00 -1.47 -1.97 119.26 118.11 3fkj h ALA 138 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fkj h ALA 138 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3fkj h ALA 138 CO 0.07 0.18 -0.20 1.88 0.00 0.00 0.00 179.25 181.18 3fkj h TYR 139 N 0.88 0.00 -0.73 0.00 0.05 -1.08 -0.67 116.97 115.43 3fkj h TYR 139 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 3fkj h TYR 139 Cb 0.31 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 3fkj h TYR 139 CO -0.04 0.20 0.46 0.66 -1.05 0.00 0.00 178.16 178.38 3fkj h SER 140 N 0.00 0.86 0.34 3.88 4.64 -1.30 -0.37 113.55 121.59 3fkj h SER 140 Ca -0.00 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 60.95 3fkj h SER 140 Cb 0.41 -0.22 0.03 0.00 -0.31 0.00 0.00 62.40 62.31 3fkj h SER 140 CO 0.03 0.64 -1.48 0.25 -0.87 0.00 0.00 176.83 175.40 3fkj h LEU 141 N 1.00 0.72 -0.07 5.97 5.85 -1.15 -1.85 115.31 125.78 3fkj h LEU 141 Ca 0.27 -0.81 0.02 0.00 0.84 0.00 0.00 57.88 58.20 3fkj h LEU 141 Cb -0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3fkj h LEU 141 CO -0.05 1.64 -0.05 -0.50 -0.34 0.00 0.00 178.44 179.13 3fkj h TRP 142 N 0.13 -0.13 -0.40 1.25 4.06 -1.12 0.58 115.95 120.33 3fkj h TRP 142 Ca -0.24 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.68 3fkj h TRP 142 Cb 2.12 0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 30.33 3fkj h TRP 142 CO 0.11 -0.09 0.10 -0.07 -3.56 0.00 0.00 178.44 174.94 3fkj h LEU 143 N -0.06 0.60 -0.14 -4.49 3.38 -1.13 -1.85 115.31 111.62 3fkj h LEU 143 Ca 0.05 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3fkj h LEU 143 Cb 0.13 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3fkj h LEU 143 CO -0.11 0.67 -0.17 0.00 0.09 0.00 0.00 178.44 178.92 3fkj h ALA 144 N 0.95 -0.09 -0.53 1.53 0.00 -1.23 0.17 119.26 120.07 3fkj h ALA 144 Ca 0.13 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.20 3fkj h ALA 144 Cb 0.30 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3fkj h ALA 144 CO -0.00 -0.62 -0.05 1.25 0.00 0.00 0.00 179.25 179.83 3fkj h LEU 145 N -0.21 -0.34 -0.57 0.00 5.85 -0.68 -1.63 115.31 117.74 3fkj h LEU 145 Ca 0.10 0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 3fkj h LEU 145 Cb 0.36 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3fkj h LEU 145 CO -0.27 -0.12 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.01 3fkj h GLU 146 N 0.07 0.74 -0.49 1.25 4.39 -1.01 0.71 114.58 120.24 3fkj h GLU 146 Ca 0.27 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3fkj h GLU 146 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3fkj h GLU 146 CO -0.49 0.99 0.32 0.82 -1.16 0.00 0.00 179.01 179.49 3fkj h ILE 147 N 0.62 1.13 0.02 3.13 2.04 -0.69 -0.79 117.51 122.98 3fkj h ILE 147 Ca 0.06 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fkj h ILE 147 Cb 0.90 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3fkj h ILE 147 CO 0.08 0.13 -0.01 0.25 0.00 0.00 0.00 178.15 178.60 3fkj h LEU 148 N 0.67 -0.02 -0.80 1.44 5.85 -1.17 -2.62 115.31 118.64 3fkj h LEU 148 Ca 0.18 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3fkj h LEU 148 Cb -0.07 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3fkj h LEU 148 CO -0.04 0.47 0.53 0.00 -0.34 0.00 0.00 178.44 179.06 3fkj h ALA 149 N 0.44 1.03 -0.00 1.25 0.00 -0.80 0.19 119.26 121.36 3fkj h ALA 149 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fkj h ALA 149 Cb 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fkj h ALA 149 CO 0.00 0.40 -0.21 1.04 0.00 0.00 0.00 179.25 180.48 3fkj n GLN 150 N -4.54 0.65 -0.05 0.00 6.02 -0.31 -1.99 117.38 117.17 3fkj n GLN 150 Ca 0.08 -0.31 -0.06 0.00 -0.01 0.00 0.00 57.00 56.70 3fkj n GLN 150 Cb 0.03 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.75 3fkj n GLN 150 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3fkj n THR 151 N -0.90 0.57 0.00 5.09 -2.24 -0.99 -4.86 114.28 110.95 3fkj n THR 151 Ca 0.12 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3fkj n THR 151 Cb 0.32 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 3fkj n THR 151 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fkj n GLU 152 N -2.70 4.15 -0.05 -0.78 1.02 0.61 -5.08 120.64 117.82 3fkj n GLU 152 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3fkj n GLU 152 Cb 0.70 -0.68 -0.00 0.00 -0.02 0.00 0.00 31.44 31.44 3fkj n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fkj n GLY 153 N 1.54 -2.72 2.94 0.62 0.00 -0.80 -4.98 105.19 101.78 3fkj n GLY 153 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 3fkj n GLY 153 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fkj s TYR 154 N -3.46 -0.69 0.40 1.61 5.04 -1.26 -4.52 117.35 114.47 3fkj s TYR 154 Ca 0.00 0.84 0.06 0.00 -2.44 0.00 0.00 57.07 55.53 3fkj s TYR 154 Cb 0.00 -0.01 0.82 0.00 0.35 0.00 0.00 41.96 43.12 3fkj s TYR 154 CO 0.00 -0.63 2.05 0.00 -1.34 0.00 0.00 175.55 175.63 3fkj h ALA 155 N 8.21 1.67 -0.33 3.97 0.00 -2.00 -2.11 119.26 128.68 3fkj h ALA 155 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fkj h ALA 155 Cb 1.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3fkj h ALA 155 CO 0.24 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.83 3fkj n GLN 156 N -4.46 2.74 -0.15 0.00 3.00 -1.26 -4.58 117.38 112.66 3fkj n GLN 156 Ca 0.04 -1.59 -0.05 0.00 -0.01 0.00 0.00 57.00 55.39 3fkj n GLN 156 Cb 0.06 -1.74 0.01 0.00 0.00 0.00 0.00 30.24 28.58 3fkj n GLN 156 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 3fkj h TYR 157 N 2.15 -0.65 -0.72 1.08 3.20 -1.81 -0.41 116.97 119.81 3fkj h TYR 157 Ca 0.00 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3fkj h TYR 157 Cb 1.07 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.67 3fkj h TYR 157 CO 0.49 -0.33 0.22 -0.44 -1.64 0.00 0.00 178.16 176.47 3fkj h ASP 158 N -0.14 1.05 -0.79 -2.11 3.32 -1.85 -1.15 116.42 114.74 3fkj h ASP 158 Ca 0.22 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3fkj h ASP 158 Cb 0.49 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3fkj h ASP 158 CO -0.57 0.98 0.43 -0.33 -1.72 0.00 0.00 179.24 178.03 3fkj h GLU 159 N 1.08 1.11 0.08 3.56 4.39 -1.55 -1.58 114.58 121.68 3fkj h GLU 159 Ca 0.23 -0.13 -0.26 0.00 0.34 0.00 0.00 59.36 59.54 3fkj h GLU 159 Cb 0.30 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3fkj h GLU 159 CO -0.01 0.82 -1.14 1.25 -1.16 0.00 0.00 179.01 178.78 3fkj h LEU 160 N 1.12 0.56 -0.92 1.33 6.46 -0.79 -0.13 115.31 122.94 3fkj h LEU 160 Ca 0.28 -0.53 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 3fkj h LEU 160 Cb 0.04 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 3fkj h LEU 160 CO -0.04 1.36 0.20 0.58 -0.62 0.00 0.00 178.44 179.92 3fkj h VAL 161 N 0.17 1.24 0.00 1.05 2.07 -1.05 0.14 116.25 119.87 3fkj h VAL 161 Ca -0.13 -0.83 -0.21 0.00 0.82 0.00 0.00 66.70 66.35 3fkj h VAL 161 Cb 1.82 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3fkj h VAL 161 CO 0.20 0.32 -1.14 0.77 0.02 0.00 0.00 177.57 177.74 3fkj h SER 162 N 0.95 0.00 -0.29 0.57 4.64 -1.28 -2.39 113.55 115.75 3fkj h SER 162 Ca 0.21 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.56 3fkj h SER 162 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 3fkj h SER 162 CO -0.01 0.89 0.09 0.00 -0.87 0.00 0.00 176.83 176.93 3fkj h ALA 163 N 1.11 0.33 -0.03 5.18 0.00 -0.68 -1.95 119.26 123.22 3fkj h ALA 163 Ca -0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fkj h ALA 163 Cb 1.76 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 3fkj h ALA 163 CO 0.10 -0.31 -0.00 0.74 0.00 0.00 0.00 179.25 179.77 3fkj h PHE 164 N 0.22 0.04 0.00 0.00 0.04 -0.67 -1.39 116.94 115.17 3fkj h PHE 164 Ca 0.13 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 3fkj h PHE 164 Cb 0.11 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 3fkj h PHE 164 CO -0.14 0.05 -0.03 0.78 -0.60 0.00 0.00 178.31 178.37 3fkj h GLY 165 N 0.10 0.00 -0.97 -1.45 0.00 -0.82 -2.68 103.07 97.26 3fkj h GLY 165 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3fkj h GLY 165 CO 0.00 0.00 -0.25 0.54 0.00 0.00 0.00 176.54 176.83 3fkj n ARG 166 N -3.15 1.50 -0.10 4.80 1.74 -0.55 -4.60 116.66 116.31 3fkj n ARG 166 Ca -0.00 -1.16 -0.14 0.00 -0.77 0.00 0.00 57.85 55.78 3fkj n ARG 166 Cb 0.29 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 3fkj n ARG 166 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3fkj h PHE 167 N 2.82 1.03 -0.72 -1.55 3.57 -1.20 -2.12 116.94 118.78 3fkj h PHE 167 Ca 0.00 -0.33 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 3fkj h PHE 167 Cb 0.75 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3fkj h PHE 167 CO 0.00 1.14 0.42 1.03 -2.23 0.00 0.00 178.31 178.68 3fkj h SER 168 N 0.62 0.88 -0.61 0.41 0.87 -1.81 0.20 113.55 114.11 3fkj h SER 168 Ca 0.04 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 3fkj h SER 168 Cb 1.01 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 3fkj h SER 168 CO 0.10 0.69 0.16 0.44 -0.53 0.00 0.00 176.83 177.69 3fkj h ASP 169 N 0.99 0.92 -0.22 6.23 3.32 -1.83 -1.15 116.42 124.67 3fkj h ASP 169 Ca 0.26 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3fkj h ASP 169 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3fkj h ASP 169 CO -0.05 0.91 0.07 0.58 -1.72 0.00 0.00 179.24 179.03 3fkj h VAL 170 N 0.89 1.19 -0.25 -1.35 2.07 -0.85 -0.95 116.25 116.99 3fkj h VAL 170 Ca 0.19 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.18 3fkj h VAL 170 Cb 0.34 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3fkj h VAL 170 CO -0.00 0.19 -0.06 0.58 0.02 0.00 0.00 177.57 178.30 3fkj h VAL 171 N 0.18 0.76 -0.59 2.57 2.07 -0.49 -0.02 116.25 120.72 3fkj h VAL 171 Ca 0.07 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3fkj h VAL 171 Cb 0.22 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3fkj h VAL 171 CO -0.00 0.00 0.26 0.45 0.02 0.00 0.00 177.57 178.30 3fkj h HIS 172 N 0.01 0.87 -0.73 1.57 -0.00 -1.12 -0.79 115.15 114.95 3fkj h HIS 172 Ca 0.12 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3fkj h HIS 172 Cb 0.18 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 3fkj h HIS 172 CO -0.25 0.68 0.42 0.78 -0.00 0.00 0.00 177.93 179.57 3fkj h GLY 173 N 0.81 1.07 0.74 2.45 0.00 -0.91 -2.06 103.07 105.17 3fkj h GLY 173 Ca 0.20 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3fkj h GLY 173 CO -0.02 0.44 -0.15 0.00 0.00 0.00 0.00 176.54 176.81 3fkj h ALA 174 N 1.45 0.21 -0.81 3.60 0.00 -0.59 -1.56 119.26 121.57 3fkj h ALA 174 Ca 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3fkj h ALA 174 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3fkj h ALA 174 CO -0.05 0.09 0.42 1.96 0.00 0.00 0.00 179.25 181.67 3fkj h GLN 175 N -0.02 1.14 -0.13 0.00 4.20 -1.09 -2.16 115.11 117.05 3fkj h GLN 175 Ca 0.02 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3fkj h GLN 175 Cb 0.68 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3fkj h GLN 175 CO 0.04 0.86 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.95 3fkj h ARG 176 N 1.14 0.24 -0.56 1.46 2.43 -1.38 -3.17 114.38 114.54 3fkj h ARG 176 Ca 0.28 -0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.53 3fkj h ARG 176 Cb 0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3fkj h ARG 176 CO -0.04 0.50 0.40 0.37 -1.51 0.00 0.00 179.97 179.69 3fkj h GLN 177 N -0.04 0.02 -0.02 0.20 4.15 -0.97 -2.93 115.11 115.52 3fkj h GLN 177 Ca 0.04 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3fkj h GLN 177 Cb 0.40 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3fkj h GLN 177 CO 0.01 0.01 -0.02 1.33 -1.93 0.00 0.00 178.83 178.24 3fkj n VAL 178 N -4.38 0.00 -0.24 2.39 0.24 -0.84 -4.50 118.33 111.00 3fkj n VAL 178 Ca 0.10 -0.37 0.02 0.00 -2.04 0.00 0.00 64.34 62.05 3fkj n VAL 178 Cb 0.62 1.02 0.14 0.00 -1.47 0.00 0.00 33.84 34.15 3fkj n VAL 178 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3fkj h GLN 179 N 3.52 0.49 0.03 7.34 1.08 -1.57 0.13 115.11 126.14 3fkj h GLN 179 Ca 0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3fkj h GLN 179 Cb 0.76 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3fkj h GLN 179 CO 0.00 0.32 -0.02 1.49 -0.95 0.00 0.00 178.83 179.68 3fkj h GLU 180 N 0.50 -0.04 -0.89 1.46 4.81 -1.83 -2.64 114.58 115.94 3fkj h GLU 180 Ca 0.36 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 3fkj h GLU 180 Cb 0.44 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3fkj h GLU 180 CO -0.32 0.49 0.54 0.22 -0.73 0.00 0.00 179.01 179.21 3fkj h ASP 181 N -0.61 0.79 -0.81 1.04 3.58 -1.76 -2.32 116.42 116.33 3fkj h ASP 181 Ca -0.00 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3fkj h ASP 181 Cb 0.56 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 3fkj h ASP 181 CO 0.01 0.46 0.45 0.00 -2.88 0.00 0.00 179.24 177.28 3fkj h ALA 182 N 1.47 1.04 -0.81 -0.78 0.00 -0.71 0.75 119.26 120.22 3fkj h ALA 182 Ca 0.42 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3fkj h ALA 182 Cb 0.35 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3fkj h ALA 182 CO -0.24 0.54 0.50 1.96 0.00 0.00 0.00 179.25 182.02 3fkj h GLN 183 N 1.13 1.09 -0.14 0.00 1.08 -1.05 -0.62 115.11 116.60 3fkj h GLN 183 Ca 0.29 -0.09 -0.22 0.00 -1.45 0.00 0.00 58.65 57.18 3fkj h GLN 183 Cb 0.02 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 27.22 3fkj h GLN 183 CO -0.05 0.76 -0.79 -0.09 -0.95 0.00 0.00 178.83 177.71 3fkj h ARG 184 N 1.11 0.74 0.29 1.46 1.12 -0.95 -2.33 114.38 115.82 3fkj h ARG 184 Ca 0.29 -0.61 0.00 0.00 -1.11 0.00 0.00 59.98 58.55 3fkj h ARG 184 Cb -0.07 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.00 3fkj h ARG 184 CO -0.06 1.22 -0.31 0.35 -3.11 0.00 0.00 179.97 178.06 3fkj h PHE 185 N 0.50 -0.83 -0.32 2.20 3.57 -0.76 -1.44 116.94 119.86 3fkj h PHE 185 Ca -0.05 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.52 3fkj h PHE 185 Cb 1.41 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 40.40 3fkj h PHE 185 CO 0.08 -0.44 -0.22 0.00 -2.23 0.00 0.00 178.31 175.50 3fkj h ALA 186 N -0.07 -0.02 -0.87 2.41 0.00 -1.08 0.22 119.26 119.85 3fkj h ALA 186 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fkj h ALA 186 Cb 0.59 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3fkj h ALA 186 CO -0.07 -0.62 0.52 0.00 0.00 0.00 0.00 179.25 179.08 3fkj h ALA 187 N 0.97 1.28 0.00 0.00 0.00 -1.37 -2.13 119.26 118.01 3fkj h ALA 187 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fkj h ALA 187 Cb 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fkj h ALA 187 CO -0.43 0.61 -0.58 0.93 0.00 0.00 0.00 179.25 179.79 3fkj h GLU 188 N 1.20 0.00 -0.01 0.00 5.08 -0.63 -3.37 114.58 116.86 3fkj h GLU 188 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3fkj h GLU 188 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3fkj h GLU 188 CO -0.06 0.00 -0.14 0.91 -1.00 0.00 0.00 179.01 178.72 3fkj n TRP 189 N -2.59 0.00 0.26 4.33 7.02 0.73 -4.68 117.44 122.51 3fkj n TRP 189 Ca 0.02 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.68 3fkj n TRP 189 Cb 0.50 0.00 0.91 0.00 -2.42 0.00 0.00 31.31 30.30 3fkj n TRP 189 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3fkj h LYS 190 N 1.25 0.00 -0.22 -0.99 2.10 -1.55 -2.20 116.57 114.96 3fkj h LYS 190 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fkj h LYS 190 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 3fkj h LYS 190 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3fkj n ASP 191 N -3.63 3.16 -4.74 7.07 8.00 -1.26 -4.84 116.55 120.31 3fkj n ASP 191 Ca -0.00 -1.96 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 3fkj n ASP 191 Cb 0.24 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3fkj n ASP 191 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3fkj s GLU 192 N -1.63 4.48 -0.03 -1.24 0.41 -0.83 -4.94 118.70 114.91 3fkj s GLU 192 Ca 0.32 1.92 0.21 0.00 -0.41 0.00 0.00 54.97 57.01 3fkj s GLU 192 Cb 0.20 -3.22 -0.32 0.00 -1.78 0.00 0.00 34.13 29.02 3fkj s GLU 192 CO 0.29 -0.10 0.45 1.63 -0.49 0.00 0.00 175.26 177.04 3fkj n LYS 193 N 2.32 0.63 -4.00 1.61 4.76 -1.26 -4.92 118.16 117.30 3fkj n LYS 193 Ca 0.04 -0.19 -0.23 0.00 -2.87 0.00 0.00 58.31 55.07 3fkj n LYS 193 Cb 0.44 -1.49 -0.17 0.00 -1.84 0.00 0.00 35.03 31.97 3fkj n LYS 193 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fkj s VAL 194 N -3.42 0.62 -0.06 -0.18 1.01 -1.26 -1.33 120.40 115.79 3fkj s VAL 194 Ca -0.08 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3fkj s VAL 194 Cb 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3fkj s VAL 194 CO 0.86 0.28 -0.13 -0.69 0.00 0.00 0.00 175.10 175.42 3fkj s VAL 195 N 1.44 1.16 0.00 2.92 1.01 0.05 -4.38 120.40 122.59 3fkj s VAL 195 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3fkj s VAL 195 Cb -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3fkj s VAL 195 CO -0.03 0.35 0.00 -1.22 0.00 0.00 0.00 175.10 174.20 3fkj n TYR 196 N 3.59 -1.94 0.00 5.22 4.01 -0.03 -3.27 117.16 124.74 3fkj n TYR 196 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3fkj n TYR 196 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3fkj n TYR 196 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fkj n GLY 199 N 5.00 1.64 3.41 2.72 0.00 -1.22 -0.59 105.19 116.14 3fkj n GLY 199 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 3fkj n GLY 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fkj s SER 200 N 0.00 0.36 0.72 1.61 1.04 -1.26 -1.13 113.70 115.04 3fkj s SER 200 Ca 0.00 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.15 3fkj s SER 200 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3fkj s SER 200 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3fkj n GLY 201 N -0.40 2.94 0.26 7.32 0.00 -1.26 -1.71 105.19 112.33 3fkj n GLY 201 Ca 0.01 0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.36 3fkj n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fkj h PRO 202 N 0.00 0.00 -0.01 1.61 0.13 -1.94 -3.06 132.00 128.73 3fkj h PRO 202 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fkj h PRO 202 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fkj h PRO 202 CO 0.00 0.00 -0.26 0.43 -0.23 0.00 0.00 178.00 177.94 3fkj n SER 203 N -3.02 1.21 -0.10 1.44 7.64 -0.69 -3.23 113.62 116.86 3fkj n SER 203 Ca 0.01 -1.03 -0.05 0.00 1.01 0.00 0.00 58.87 58.81 3fkj n SER 203 Cb 0.34 0.16 0.14 0.00 -1.01 0.00 0.00 64.21 63.84 3fkj n SER 203 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3fkj h PHE 204 N 1.49 0.85 -0.38 1.43 3.57 -1.49 -2.44 116.94 119.96 3fkj h PHE 204 Ca 0.00 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.37 3fkj h PHE 204 Cb 0.54 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3fkj h PHE 204 CO 0.00 0.82 0.23 0.78 -2.23 0.00 0.00 178.31 177.91 3fkj h GLY 205 N 0.97 0.53 0.88 2.40 0.00 -1.82 -1.48 103.07 104.56 3fkj h GLY 205 Ca 0.13 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.38 3fkj h GLY 205 CO 0.03 0.15 0.50 0.00 0.00 0.00 0.00 176.54 177.22 3fkj h ALA 206 N 1.17 1.80 -0.13 3.60 0.00 -1.78 0.16 119.26 124.07 3fkj h ALA 206 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3fkj h ALA 206 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3fkj h ALA 206 CO -0.07 0.05 -0.28 0.00 0.00 0.00 0.00 179.25 178.95 3fkj h ALA 207 N 1.61 0.21 -0.37 0.00 0.00 -0.90 -1.18 119.26 118.64 3fkj h ALA 207 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3fkj h ALA 207 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fkj h ALA 207 CO -0.13 0.22 0.01 1.25 0.00 0.00 0.00 179.25 180.61 3fkj h HIS 208 N 0.02 0.71 -0.29 0.00 6.17 -0.93 -1.96 115.15 118.88 3fkj h HIS 208 Ca 0.00 -0.12 0.04 0.00 0.71 0.00 0.00 60.37 61.00 3fkj h HIS 208 Cb 0.88 -0.19 -0.04 0.00 2.52 0.00 0.00 27.41 30.59 3fkj h HIS 208 CO 0.10 0.74 0.06 0.37 0.71 0.00 0.00 177.93 179.91 3fkj h GLN 209 N 0.47 0.16 -0.74 5.26 4.15 -0.68 -0.48 115.11 123.25 3fkj h GLN 209 Ca 0.11 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.61 3fkj h GLN 209 Cb 0.45 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.03 3fkj h GLN 209 CO 0.02 0.11 0.39 1.49 -1.93 0.00 0.00 178.83 178.90 3fkj h GLU 210 N 0.17 0.63 0.39 1.69 4.57 -1.09 0.31 114.58 121.25 3fkj h GLU 210 Ca 0.13 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3fkj h GLU 210 Cb 0.14 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3fkj h GLU 210 CO -0.17 0.42 -0.21 1.03 -1.18 0.00 0.00 179.01 178.89 3fkj h SER 211 N 0.65 -0.51 0.40 1.04 0.87 -0.60 -1.16 113.55 114.23 3fkj h SER 211 Ca 0.37 0.02 -0.31 0.00 -1.23 0.00 0.00 61.79 60.64 3fkj h SER 211 Cb 0.38 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3fkj h SER 211 CO -0.27 -0.35 -1.63 0.16 -0.53 0.00 0.00 176.83 174.22 3fkj h ILE 212 N -0.56 1.03 0.00 2.23 3.07 -0.89 -2.03 117.51 120.36 3fkj h ILE 212 Ca -0.05 -2.70 0.00 0.00 1.55 0.00 0.00 64.86 63.66 3fkj h ILE 212 Cb 0.45 2.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.68 3fkj h ILE 212 CO 0.07 0.79 -1.27 0.00 -1.05 0.00 0.00 178.15 176.69 3fkj n ILE 214 N -2.22 0.61 0.02 0.00 2.08 -0.96 -4.40 119.36 114.49 3fkj n ILE 214 Ca -0.00 0.09 -0.10 0.00 0.56 0.00 0.00 62.75 63.31 3fkj n ILE 214 Cb 0.50 -1.61 -0.07 0.00 -0.75 0.00 0.00 39.64 37.70 3fkj n ILE 214 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3fkj h LEU 215 N -0.16 -0.12 0.44 1.39 3.38 -1.22 -1.37 115.31 117.65 3fkj h LEU 215 Ca -0.07 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3fkj h LEU 215 Cb 0.76 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3fkj h LEU 215 CO -0.04 0.50 -0.21 -0.07 0.09 0.00 0.00 178.44 178.71 3fkj h LEU 216 N -0.91 -0.50 0.00 1.67 3.38 -1.29 0.13 115.31 117.79 3fkj h LEU 216 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3fkj h LEU 216 Cb 0.53 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3fkj h LEU 216 CO 0.02 -0.11 0.00 1.21 0.09 0.00 0.00 178.44 179.66 3fkj n GLU 217 N -5.21 0.26 0.00 1.13 2.13 -1.05 -2.61 120.64 115.29 3fkj n GLU 217 Ca -0.10 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.78 3fkj n GLU 217 Cb 0.29 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.50 3fkj n GLU 217 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3fkj n GLN 219 N -1.08 0.00 -3.91 5.31 1.13 -0.52 -4.85 117.38 113.47 3fkj n GLN 219 Ca 0.07 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.86 3fkj n GLN 219 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.40 3fkj n GLN 219 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3fkj n TRP 220 N 0.00 -1.89 -4.58 1.08 8.01 -0.67 -5.00 117.44 114.39 3fkj n TRP 220 Ca 0.00 0.82 -0.33 0.00 -1.31 0.00 0.00 57.50 56.68 3fkj n TRP 220 Cb 0.00 -3.88 -0.14 0.00 -2.01 0.00 0.00 31.31 25.28 3fkj n TRP 220 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3fkj s ILE 221 N -3.63 3.35 0.33 -0.99 1.01 0.38 -4.97 121.20 116.68 3fkj s ILE 221 Ca 0.26 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 3fkj s ILE 221 Cb -0.14 -2.44 -0.11 0.00 0.01 0.00 0.00 42.46 39.79 3fkj s ILE 221 CO 0.86 0.51 1.43 0.20 0.00 0.00 0.00 174.94 177.93 3fkj s ASN 222 N 0.45 6.54 -0.06 3.58 0.01 -0.44 -3.07 114.94 121.95 3fkj s ASN 222 Ca -0.07 2.86 -0.28 0.00 -0.71 0.00 0.00 52.86 54.66 3fkj s ASN 222 Cb -0.15 -2.65 0.06 0.00 0.41 0.00 0.00 41.25 38.92 3fkj s ASN 222 CO 0.04 -0.73 0.62 -0.55 -1.51 0.00 0.00 177.10 174.97 3fkj s SER 223 N -0.12 -0.59 0.08 -1.22 0.15 -1.26 -0.77 113.70 109.97 3fkj s SER 223 Ca 0.53 0.68 0.03 0.00 0.70 0.00 0.00 55.95 57.89 3fkj s SER 223 Cb -0.44 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 3fkj s SER 223 CO 0.55 -0.55 -0.09 0.00 1.20 0.00 0.00 173.24 174.35 3fkj s ALA 224 N -1.07 0.93 -0.13 5.45 0.00 -1.20 -4.96 121.76 120.78 3fkj s ALA 224 Ca -0.10 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 3fkj s ALA 224 Cb -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3fkj s ALA 224 CO 0.08 -0.05 0.09 -1.54 0.00 0.00 0.00 175.76 174.34 3fkj s SER 225 N -2.22 5.92 -0.11 0.00 1.04 -1.26 -4.41 113.70 112.67 3fkj s SER 225 Ca 0.01 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.74 3fkj s SER 225 Cb -0.04 -1.89 0.02 0.00 0.10 0.00 0.00 66.02 64.21 3fkj s SER 225 CO -0.00 0.34 -0.11 -0.63 0.98 0.00 0.00 173.24 173.82 3fkj s ILE 226 N -0.64 1.23 0.22 -1.02 1.01 -1.26 -5.06 121.20 115.68 3fkj s ILE 226 Ca 0.12 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 3fkj s ILE 226 Cb -0.12 -1.17 -0.10 0.00 0.01 0.00 0.00 42.46 41.08 3fkj s ILE 226 CO 0.02 0.39 1.42 -2.28 0.00 0.00 0.00 174.94 174.50 3fkj s HIS 227 N 1.33 3.10 0.35 3.97 5.65 -1.26 -3.42 115.29 125.00 3fkj s HIS 227 Ca -0.01 1.02 0.11 0.00 0.25 0.00 0.00 55.06 56.44 3fkj s HIS 227 Cb -0.14 -3.77 0.91 0.00 -1.18 0.00 0.00 32.58 28.40 3fkj s HIS 227 CO -0.05 -2.54 1.78 0.77 -0.65 0.00 0.00 174.74 174.05 3fkj h SER 228 N 5.44 0.63 -0.26 9.88 0.02 -1.49 0.86 113.55 128.63 3fkj h SER 228 Ca -0.45 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 3fkj h SER 228 Cb 1.21 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3fkj h SER 228 CO 0.80 0.18 -0.17 1.23 -1.14 0.00 0.00 176.83 177.73 3fkj h GLY 229 N 0.59 0.62 2.00 -3.77 0.00 -1.85 -3.19 103.07 97.48 3fkj h GLY 229 Ca 0.58 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3fkj h GLY 229 CO -0.34 0.53 -0.27 0.83 0.00 0.00 0.00 176.54 177.29 3fkj h GLU 230 N 0.30 0.00 -0.87 4.80 4.39 -1.40 -3.31 114.58 118.49 3fkj h GLU 230 Ca 0.05 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.97 3fkj h GLU 230 Cb 0.70 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.20 3fkj h GLU 230 CO 0.05 0.27 0.07 -0.92 -1.16 0.00 0.00 179.01 177.31 3fkj h TYR 231 N 0.00 0.05 -0.06 4.33 3.20 -0.91 -1.14 116.97 122.44 3fkj h TYR 231 Ca -0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fkj h TYR 231 Cb 0.52 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3fkj h TYR 231 CO 0.00 -0.30 0.00 1.19 -1.64 0.00 0.00 178.16 177.41 3fkj n PHE 232 N -5.36 0.08 -1.74 -3.82 3.72 -1.25 -0.58 117.46 108.51 3fkj n PHE 232 Ca 0.19 -0.04 0.06 0.00 -0.05 0.00 0.00 57.45 57.60 3fkj n PHE 232 Cb 0.62 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.33 3fkj n PHE 232 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3fkj n HIS 233 N -0.36 0.00 0.00 1.38 8.25 -0.43 -4.94 115.22 119.11 3fkj n HIS 233 Ca 0.05 -1.30 0.00 0.00 -0.26 0.00 0.00 57.72 56.21 3fkj n HIS 233 Cb 0.07 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3fkj n HIS 233 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fkj n GLY 234 N -0.85 0.35 0.31 -1.41 0.00 -1.24 -5.01 105.19 97.34 3fkj n GLY 234 Ca 0.17 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3fkj n GLY 234 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fkj h PRO 235 N 0.00 0.36 0.00 1.61 0.11 -1.76 -2.42 132.00 129.89 3fkj h PRO 235 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3fkj h PRO 235 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3fkj h PRO 235 CO 0.00 0.24 0.11 0.27 -0.21 0.00 0.00 178.00 178.41 3fkj h PHE 236 N 0.37 0.00 0.00 0.65 -0.00 -1.16 -0.75 116.94 116.04 3fkj h PHE 236 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.51 3fkj h PHE 236 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 3fkj h PHE 236 CO -0.17 0.00 0.00 0.93 -0.00 0.00 0.00 178.31 179.07 3fkj h GLU 237 N 0.00 0.00 0.00 6.09 4.39 -1.71 -0.99 114.58 122.36 3fkj h GLU 237 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3fkj h GLU 237 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3fkj h GLU 237 CO 0.00 0.00 -0.19 0.97 -1.16 0.00 0.00 179.01 178.63 3fkj h ILE 238 N 0.00 0.45 -2.78 3.13 6.09 -1.36 -3.46 117.51 119.59 3fkj h ILE 238 Ca 0.00 -1.10 -0.53 0.00 -1.37 0.00 0.00 64.86 61.86 3fkj h ILE 238 Cb 0.01 1.80 0.03 0.00 0.47 0.00 0.00 36.82 39.13 3fkj h ILE 238 CO 0.00 0.19 0.92 -0.89 -3.07 0.00 0.00 178.15 175.30 3fkj s THR 239 N -3.57 2.87 0.26 2.19 2.01 -0.38 -4.97 115.64 114.06 3fkj s THR 239 Ca 0.01 0.51 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 3fkj s THR 239 Cb 0.09 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 3fkj s THR 239 CO 0.63 0.02 0.38 -1.83 -0.69 0.00 0.00 174.62 173.14 3fkj s GLU 240 N 1.81 1.57 -0.24 4.92 -1.05 -1.26 -5.05 118.70 119.40 3fkj s GLU 240 Ca 0.71 -1.51 -0.40 0.00 -0.15 0.00 0.00 54.97 53.63 3fkj s GLU 240 Cb -0.41 0.41 -0.16 0.00 -0.44 0.00 0.00 34.13 33.53 3fkj s GLU 240 CO 0.31 -0.62 1.71 -2.30 0.95 0.00 0.00 175.26 175.32 3fkj n PRO 241 N -0.41 1.19 -0.21 -4.83 -0.02 -1.22 -1.71 135.00 127.79 3fkj n PRO 241 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3fkj n PRO 241 Cb 0.63 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3fkj n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fkj n GLY 242 N 4.05 0.68 3.67 -1.23 0.00 0.29 -4.94 105.19 107.72 3fkj n GLY 242 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3fkj n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fkj s THR 243 N -2.49 3.31 -0.12 2.61 2.01 -0.69 -4.21 115.64 116.06 3fkj s THR 243 Ca 0.00 0.53 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 3fkj s THR 243 Cb 0.00 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 3fkj s THR 243 CO 0.00 -0.03 0.94 -2.84 -0.69 0.00 0.00 174.62 172.00 3fkj s PRO 244 N 3.59 4.39 -0.06 4.92 0.02 -1.26 -0.82 135.00 145.78 3fkj s PRO 244 Ca 0.76 1.25 0.03 0.00 0.02 0.00 0.00 61.00 63.06 3fkj s PRO 244 Cb -0.37 -3.54 0.01 0.00 0.02 0.00 0.00 34.50 30.61 3fkj s PRO 244 CO 0.32 -0.29 -0.15 -0.06 -0.33 0.00 0.00 177.00 176.49 3fkj s PHE 245 N 1.96 1.62 -0.30 6.54 0.08 -0.13 -0.85 117.98 126.90 3fkj s PHE 245 Ca 0.45 -0.55 -0.06 0.00 0.12 0.00 0.00 56.93 56.88 3fkj s PHE 245 Cb -0.18 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3fkj s PHE 245 CO 0.16 -0.24 0.07 0.42 -0.10 0.00 0.00 175.22 175.53 3fkj s ILE 246 N 0.40 3.83 -0.27 0.64 1.01 0.24 -1.10 121.20 125.96 3fkj s ILE 246 Ca -0.11 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 3fkj s ILE 246 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 3fkj s ILE 246 CO 0.04 0.04 0.17 -0.22 0.00 0.00 0.00 174.94 174.97 3fkj s LEU 247 N 1.46 4.00 -0.83 2.97 2.96 -0.59 -4.77 118.68 123.89 3fkj s LEU 247 Ca 0.02 0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 3fkj s LEU 247 Cb -0.18 -2.10 0.18 0.00 0.50 0.00 0.00 46.19 44.59 3fkj s LEU 247 CO 0.02 -0.02 0.87 -0.76 -1.32 0.00 0.00 176.35 175.14 3fkj s LEU 248 N 1.55 6.10 0.26 -0.68 1.43 -1.26 -1.27 118.68 124.82 3fkj s LEU 248 Ca 0.07 -2.36 -0.29 0.00 -1.03 0.00 0.00 54.13 50.52 3fkj s LEU 248 Cb -0.15 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 3fkj s LEU 248 CO 0.09 -0.78 0.98 -1.58 0.23 0.00 0.00 176.35 175.29 3fkj s GLN 249 N 1.21 4.76 0.20 1.70 0.74 -0.41 -4.42 119.66 123.44 3fkj s GLN 249 Ca 0.22 1.55 0.06 0.00 0.05 0.00 0.00 55.36 57.23 3fkj s GLN 249 Cb -0.10 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 3fkj s GLN 249 CO -0.07 0.40 0.19 -1.12 -0.55 0.00 0.00 175.29 174.14 3fkj s SER 250 N -1.17 5.64 0.86 6.67 0.01 -1.26 -1.43 113.70 123.02 3fkj s SER 250 Ca 0.43 -0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.42 3fkj s SER 250 Cb -0.26 -1.49 0.13 0.00 0.21 0.00 0.00 66.02 64.61 3fkj s SER 250 CO 0.33 0.01 1.22 -0.94 0.41 0.00 0.00 173.24 174.27 3fkj s SER 251 N -3.48 3.91 0.27 2.44 1.04 -1.26 -4.36 113.70 112.26 3fkj s SER 251 Ca 0.32 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.22 3fkj s SER 251 Cb -0.09 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.25 3fkj s SER 251 CO 0.25 -2.24 0.00 0.61 0.98 0.00 0.00 173.24 172.84 3fkj n GLY 252 N -3.46 -0.03 0.22 7.32 0.00 -1.26 -4.44 105.19 103.55 3fkj n GLY 252 Ca 0.11 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 45.16 3fkj n GLY 252 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fkj h ARG 253 N 0.00 0.24 -0.01 1.61 3.08 -1.98 -2.66 114.38 114.66 3fkj h ARG 253 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3fkj h ARG 253 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3fkj h ARG 253 CO 0.00 0.46 -0.15 0.25 -1.07 0.00 0.00 179.97 179.46 3fkj n THR 254 N -4.18 0.00 -0.28 2.04 -2.24 -1.26 -4.36 114.28 104.00 3fkj n THR 254 Ca -0.01 -0.21 0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3fkj n THR 254 Cb 0.34 0.55 0.25 0.00 -2.10 0.00 0.00 70.33 69.37 3fkj n THR 254 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3fkj h ARG 255 N 1.94 0.33 -0.11 -0.78 2.43 -1.67 0.93 114.38 117.45 3fkj h ARG 255 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3fkj h ARG 255 Cb 0.55 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3fkj h ARG 255 CO 0.00 0.22 0.10 -1.35 -1.51 0.00 0.00 179.97 177.43 3fkj h PRO 256 N 0.34 0.00 -0.52 0.20 0.11 -1.82 0.79 132.00 131.10 3fkj h PRO 256 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3fkj h PRO 256 Cb 0.90 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3fkj h PRO 256 CO -0.53 0.00 0.32 -0.07 -0.21 0.00 0.00 178.00 177.52 3fkj h LEU 257 N 0.00 0.61 -0.29 2.35 4.07 -1.13 -1.61 115.31 119.31 3fkj h LEU 257 Ca 0.05 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3fkj h LEU 257 Cb 0.25 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3fkj h LEU 257 CO -0.00 0.47 -0.13 0.44 -1.08 0.00 0.00 178.44 178.14 3fkj h ASP 258 N 0.69 0.62 -0.45 -0.43 3.32 -0.91 -2.86 116.42 116.41 3fkj h ASP 258 Ca 0.19 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 3fkj h ASP 258 Cb -0.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3fkj h ASP 258 CO -0.04 0.89 0.15 0.44 -1.72 0.00 0.00 179.24 178.96 3fkj h ASP 259 N 0.36 0.70 -0.73 6.45 3.32 -0.89 -1.15 116.42 124.48 3fkj h ASP 259 Ca 0.07 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3fkj h ASP 259 Cb 0.65 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 3fkj h ASP 259 CO 0.04 0.67 0.46 -0.09 -1.72 0.00 0.00 179.24 178.61 3fkj h ARG 260 N 0.74 0.89 -0.46 3.56 2.43 -1.19 -2.10 114.38 118.24 3fkj h ARG 260 Ca 0.17 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3fkj h ARG 260 Cb 0.23 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3fkj h ARG 260 CO -0.01 0.59 -0.04 0.00 -1.51 0.00 0.00 179.97 179.00 3fkj h ALA 261 N 1.30 0.63 -0.01 2.80 0.00 -1.19 -2.92 119.26 119.86 3fkj h ALA 261 Ca 0.29 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fkj h ALA 261 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fkj h ALA 261 CO -0.10 0.47 0.01 0.82 0.00 0.00 0.00 179.25 180.45 3fkj h ILE 262 N 0.70 1.04 -0.63 0.00 2.04 -1.02 0.87 117.51 120.50 3fkj h ILE 262 Ca 0.13 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.97 3fkj h ILE 262 Cb 0.57 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 3fkj h ILE 262 CO 0.03 0.03 0.28 0.03 0.00 0.00 0.00 178.15 178.52 3fkj h ARG 263 N -0.02 0.48 0.05 2.37 3.08 -1.41 -0.86 114.38 118.07 3fkj h ARG 263 Ca 0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3fkj h ARG 263 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3fkj h ARG 263 CO -0.00 0.32 -0.02 0.35 -1.07 0.00 0.00 179.97 179.55 3fkj h PHE 264 N 0.50 -0.06 -0.95 3.04 3.57 -1.29 -0.52 116.94 121.24 3fkj h PHE 264 Ca 0.31 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.92 3fkj h PHE 264 Cb 0.32 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 3fkj h PHE 264 CO -0.13 0.40 0.61 0.82 -2.23 0.00 0.00 178.31 177.78 3fkj h ILE 265 N -0.54 0.91 -0.04 1.41 2.04 -0.65 -1.18 117.51 119.45 3fkj h ILE 265 Ca -0.01 -0.31 -0.22 0.00 1.00 0.00 0.00 64.86 65.33 3fkj h ILE 265 Cb 0.49 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3fkj h ILE 265 CO 0.01 0.16 -0.87 -0.33 0.00 0.00 0.00 178.15 177.12 3fkj h GLU 266 N 0.90 0.50 0.00 2.37 5.08 -1.14 0.18 114.58 122.47 3fkj h GLU 266 Ca 0.47 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3fkj h GLU 266 Cb 0.52 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3fkj h GLU 266 CO -0.23 1.12 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.70 3fkj h ARG 267 N 0.31 0.00 -0.32 2.33 2.43 -0.38 -2.60 114.38 116.16 3fkj h ARG 267 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3fkj h ARG 267 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 3fkj h ARG 267 CO 0.16 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.38 3fkj n TYR 268 N -4.32 1.00 -3.85 2.20 4.01 -0.51 -4.97 117.16 110.72 3fkj n TYR 268 Ca -0.03 -0.79 -0.29 0.00 -0.16 0.00 0.00 57.90 56.64 3fkj n TYR 268 Cb 0.18 -0.29 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3fkj n TYR 268 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3fkj n GLN 269 N -0.16 -5.85 -1.27 -0.72 6.02 -0.87 -3.38 117.38 111.14 3fkj n GLN 269 Ca 0.21 0.63 -0.32 0.00 -0.01 0.00 0.00 57.00 57.51 3fkj n GLN 269 Cb 0.85 -5.52 0.10 0.00 1.02 0.00 0.00 30.24 26.69 3fkj n GLN 269 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3fkj s GLY 270 N -3.41 1.96 -0.80 1.08 0.00 0.58 -0.55 107.32 106.18 3fkj s GLY 270 Ca 0.59 0.57 -0.23 0.00 0.00 0.00 0.00 44.72 45.66 3fkj s GLY 270 CO 0.81 0.96 1.16 1.25 0.00 0.00 0.00 173.10 177.28 3fkj s LYS 271 N -4.40 3.32 -0.22 2.90 2.20 -0.00 -4.66 119.74 118.89 3fkj s LYS 271 Ca 0.67 -0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 55.26 3fkj s LYS 271 Cb -0.22 -4.57 -0.03 0.00 -1.51 0.00 0.00 37.83 31.49 3fkj s LYS 271 CO 0.50 -1.96 0.05 -1.17 -0.36 0.00 0.00 175.35 172.42 3fkj s LEU 272 N 4.31 3.54 -0.34 5.43 2.96 -1.26 -0.96 118.68 132.36 3fkj s LEU 272 Ca 0.32 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.02 3fkj s LEU 272 Cb -0.09 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3fkj s LEU 272 CO 0.03 0.06 0.19 -1.58 -1.32 0.00 0.00 176.35 173.73 3fkj s GLN 273 N 1.05 3.11 -0.16 1.98 2.00 -0.26 -5.00 119.66 122.39 3fkj s GLN 273 Ca 0.04 -0.89 -0.16 0.00 -2.00 0.00 0.00 55.36 52.35 3fkj s GLN 273 Cb -0.14 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 29.96 3fkj s GLN 273 CO 0.03 -0.56 0.40 -1.17 -0.50 0.00 0.00 175.29 173.49 3fkj s LEU 274 N 1.60 4.23 -0.26 3.68 2.96 -1.26 -1.54 118.68 128.09 3fkj s LEU 274 Ca 0.04 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 3fkj s LEU 274 Cb -0.18 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.03 3fkj s LEU 274 CO 0.07 0.01 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.39 3fkj s ILE 275 N 0.80 1.97 -0.27 6.68 1.01 -0.39 -4.98 121.20 126.01 3fkj s ILE 275 Ca 0.21 -1.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.23 3fkj s ILE 275 Cb -0.14 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3fkj s ILE 275 CO 0.07 -0.08 0.10 -0.62 0.00 0.00 0.00 174.94 174.42 3fkj s ASP 276 N 1.18 5.31 0.24 3.58 2.15 -1.26 -1.29 116.67 126.58 3fkj s ASP 276 Ca -0.07 -0.34 -0.06 0.00 0.43 0.00 0.00 52.55 52.51 3fkj s ASP 276 Cb -0.20 -1.95 0.34 0.00 -0.30 0.00 0.00 42.92 40.81 3fkj s ASP 276 CO -0.06 -0.10 1.82 0.00 -0.17 0.00 0.00 175.17 176.66 3fkj h ALA 277 N 8.28 1.11 0.00 3.66 0.00 -1.57 -2.41 119.26 128.33 3fkj h ALA 277 Ca -0.36 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3fkj h ALA 277 Cb 1.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fkj h ALA 277 CO 0.59 0.14 -0.07 -0.44 0.00 0.00 0.00 179.25 179.46 3fkj h ASP 278 N 0.81 0.00 1.71 0.00 3.32 -1.87 -1.19 116.42 119.20 3fkj h ASP 278 Ca 0.37 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 3fkj h ASP 278 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3fkj h ASP 278 CO -0.21 0.07 -0.29 0.11 -1.72 0.00 0.00 179.24 177.20 3fkj h LYS 279 N 0.00 0.00 -0.55 3.56 6.56 -1.85 -3.32 116.57 120.97 3fkj h LYS 279 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3fkj h LYS 279 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 3fkj h LYS 279 CO 0.01 0.20 0.00 1.28 -2.06 0.00 0.00 179.45 178.88 3fkj n LEU 280 N -3.12 5.26 0.00 2.94 4.77 -0.47 -4.93 117.00 121.45 3fkj n LEU 280 Ca 0.03 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 3fkj n LEU 280 Cb 0.62 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3fkj n LEU 280 CO 0.37 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3fkj n GLY 281 N 0.59 1.31 0.25 -0.72 0.00 -1.11 -4.50 105.19 101.02 3fkj n GLY 281 Ca 0.26 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 46.02 3fkj n GLY 281 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fkj h ILE 282 N 0.00 1.16 0.00 -0.61 1.08 -1.74 -2.73 117.51 114.68 3fkj h ILE 282 Ca 0.00 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 3fkj h ILE 282 Cb 0.23 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 3fkj h ILE 282 CO 0.00 0.22 -0.22 1.56 -0.69 0.00 0.00 178.15 179.02 3fkj h GLN 283 N 0.26 0.00 0.00 2.37 1.08 -1.82 -1.49 115.11 115.51 3fkj h GLN 283 Ca 0.06 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3fkj h GLN 283 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3fkj h GLN 283 CO 0.02 0.22 -0.13 -0.44 -0.95 0.00 0.00 178.83 177.55 3fkj h ASP 284 N 0.00 0.00 -0.10 1.46 3.32 -1.88 -3.19 116.42 116.02 3fkj h ASP 284 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3fkj h ASP 284 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3fkj h ASP 284 CO 0.03 0.13 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.38 3fkj h LEU 285 N 0.00 0.38 0.00 1.55 3.38 -1.26 -3.48 115.31 115.88 3fkj h LEU 285 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3fkj h LEU 285 Cb 0.67 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fkj h LEU 285 CO 0.02 0.88 0.00 -0.24 0.09 0.00 0.00 178.44 179.18 3fkj n SER 286 N -4.50 0.00 0.01 -0.43 2.88 -1.20 -4.35 113.62 106.03 3fkj n SER 286 Ca -0.07 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.60 3fkj n SER 286 Cb 0.43 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.47 3fkj n SER 286 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3fkj n THR 287 N -0.01 0.12 -0.09 2.46 -2.24 -1.26 -3.29 114.28 109.97 3fkj n THR 287 Ca 0.00 0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3fkj n THR 287 Cb 0.00 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 3fkj n THR 287 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fkj n ASP 288 N -1.55 1.87 -0.08 3.42 9.92 -1.26 -4.80 116.55 124.07 3fkj n ASP 288 Ca 0.07 0.48 0.02 0.00 -0.53 0.00 0.00 54.79 54.83 3fkj n ASP 288 Cb 0.33 -0.86 0.03 0.00 -0.64 0.00 0.00 41.12 39.99 3fkj n ASP 288 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 3fkj n VAL 289 N -4.49 0.87 0.30 2.53 0.24 -1.26 -4.76 118.33 111.77 3fkj n VAL 289 Ca -0.21 -0.96 0.16 0.00 -2.04 0.00 0.00 64.34 61.28 3fkj n VAL 289 Cb 0.51 0.44 0.71 0.00 -1.47 0.00 0.00 33.84 34.03 3fkj n VAL 289 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3fkj h GLY 290 N 0.00 0.00 0.67 7.63 0.00 -1.85 -2.30 103.07 107.22 3fkj h GLY 290 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3fkj h GLY 290 CO 0.00 0.00 0.62 -2.09 0.00 0.00 0.00 176.54 175.07 3fkj h GLU 291 N 0.00 1.01 0.00 4.80 4.81 -1.85 -2.48 114.58 120.87 3fkj h GLU 291 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3fkj h GLU 291 Cb 0.26 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3fkj h GLU 291 CO 0.00 0.67 0.00 0.66 -0.73 0.00 0.00 179.01 179.61 3fkj n TYR 292 N -4.54 0.27 0.91 0.92 4.01 -0.87 -2.37 117.16 115.49 3fkj n TYR 292 Ca 0.16 0.11 0.11 0.00 -0.16 0.00 0.00 57.90 58.12 3fkj n TYR 292 Cb 0.27 -0.68 0.06 0.00 -0.31 0.00 0.00 39.34 38.68 3fkj n TYR 292 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fkj n PHE 293 N -1.75 0.00 -0.28 -0.72 3.01 -0.93 -4.57 117.46 112.21 3fkj n PHE 293 Ca 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.48 3fkj n PHE 293 Cb 0.15 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.74 3fkj n PHE 293 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fkj h GLY 295 N 0.88 0.34 0.74 0.00 0.00 -1.79 -1.43 103.07 101.81 3fkj h GLY 295 Ca 0.34 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3fkj h GLY 295 CO -0.17 0.22 0.40 1.41 0.00 0.00 0.00 176.54 178.40 3fkj h LEU 296 N 0.08 0.61 -0.35 3.11 3.38 -1.80 -1.39 115.31 118.95 3fkj h LEU 296 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3fkj h LEU 296 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3fkj h LEU 296 CO 0.01 0.40 0.13 0.25 0.09 0.00 0.00 178.44 179.32 3fkj h LEU 297 N 0.74 0.48 -0.48 1.67 5.85 -0.87 -2.85 115.31 119.86 3fkj h LEU 297 Ca 0.30 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3fkj h LEU 297 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3fkj h LEU 297 CO -0.16 0.52 0.30 0.45 -0.34 0.00 0.00 178.44 179.21 3fkj h HIS 298 N 0.41 0.55 -0.70 1.25 3.86 -0.93 -0.02 115.15 119.58 3fkj h HIS 298 Ca 0.12 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.48 3fkj h HIS 298 Cb 0.19 -0.18 -0.10 0.00 1.06 0.00 0.00 27.41 28.38 3fkj h HIS 298 CO -0.00 0.33 0.20 -0.91 0.86 0.00 0.00 177.93 178.40 3fkj h ASN 299 N 0.59 0.08 -0.20 2.45 2.35 -1.15 -0.38 115.58 119.32 3fkj h ASN 299 Ca 0.19 0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.97 3fkj h ASN 299 Cb -0.01 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 3fkj h ASN 299 CO -0.07 0.01 -0.25 0.00 -1.65 0.00 0.00 177.43 175.47 3fkj h VAL 301 N 0.19 1.25 0.00 0.00 2.07 -0.52 -2.66 116.25 116.58 3fkj h VAL 301 Ca 0.03 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3fkj h VAL 301 Cb 0.81 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3fkj h VAL 301 CO 0.06 0.37 -0.05 -0.07 0.02 0.00 0.00 177.57 177.90 3fkj h LEU 302 N 0.69 0.00 -1.48 2.57 3.38 -1.11 -2.07 115.31 117.30 3fkj h LEU 302 Ca 0.13 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.32 3fkj h LEU 302 Cb 0.52 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3fkj h LEU 302 CO 0.03 0.05 0.63 0.44 0.09 0.00 0.00 178.44 179.68 3fkj h ASP 303 N 0.00 0.41 -0.02 -0.43 3.32 -1.47 0.25 116.42 118.49 3fkj h ASP 303 Ca -0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3fkj h ASP 303 Cb 0.09 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3fkj h ASP 303 CO 0.01 0.14 -0.06 0.58 -1.72 0.00 0.00 179.24 178.19 3fkj h VAL 304 N 0.40 1.50 -0.73 -1.35 2.07 -1.53 -2.25 116.25 114.36 3fkj h VAL 304 Ca 0.51 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3fkj h VAL 304 Cb 1.29 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 33.53 3fkj h VAL 304 CO -0.21 0.42 0.31 1.88 0.02 0.00 0.00 177.57 179.98 3fkj h TYR 305 N -0.55 1.10 -0.89 1.57 -1.99 -1.40 -2.11 116.97 112.71 3fkj h TYR 305 Ca -0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3fkj h TYR 305 Cb 0.71 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 39.06 3fkj h TYR 305 CO 0.15 0.84 0.56 -0.91 -0.00 0.00 0.00 178.16 178.79 3fkj h ASN 306 N 1.04 1.05 -0.08 3.88 2.35 -0.54 0.11 115.58 123.38 3fkj h ASN 306 Ca 0.25 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3fkj h ASN 306 Cb 0.19 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3fkj h ASN 306 CO -0.02 0.79 -0.04 0.25 -1.65 0.00 0.00 177.43 176.75 3fkj h LEU 307 N 1.21 0.18 -0.80 1.61 5.85 -1.30 -1.43 115.31 120.64 3fkj h LEU 307 Ca 0.32 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.73 3fkj h LEU 307 Cb -0.09 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 3fkj h LEU 307 CO -0.06 0.56 0.42 0.00 -0.34 0.00 0.00 178.44 179.02 3fkj h ALA 308 N 0.63 1.15 -0.11 1.25 0.00 -1.17 -0.76 119.26 120.24 3fkj h ALA 308 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fkj h ALA 308 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fkj h ALA 308 CO 0.01 -0.02 -0.10 1.25 0.00 0.00 0.00 179.25 180.40 3fkj h LEU 309 N 0.67 0.28 -0.97 0.00 5.85 -0.97 -1.90 115.31 118.27 3fkj h LEU 309 Ca 0.41 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3fkj h LEU 309 Cb 0.47 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 3fkj h LEU 309 CO -0.30 0.69 0.62 0.00 -0.34 0.00 0.00 178.44 179.11 3fkj h ALA 310 N 0.60 1.36 -0.04 1.25 0.00 -1.01 0.13 119.26 121.55 3fkj h ALA 310 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3fkj h ALA 310 Cb 0.60 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fkj h ALA 310 CO 0.02 0.39 -0.02 1.15 0.00 0.00 0.00 179.25 180.79 3fkj h THR 311 N 1.12 1.34 -0.62 0.00 2.02 -1.11 -1.27 112.91 114.38 3fkj h THR 311 Ca 0.43 -1.05 0.11 0.00 0.77 0.00 0.00 66.41 66.67 3fkj h THR 311 Cb 0.19 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 3fkj h THR 311 CO -0.18 0.28 0.42 0.00 0.37 0.00 0.00 175.52 176.41 3fkj h ALA 312 N 0.59 2.06 -0.02 6.16 0.00 -0.78 -1.56 119.26 125.71 3fkj h ALA 312 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fkj h ALA 312 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fkj h ALA 312 CO 0.01 -0.20 -0.00 0.54 0.00 0.00 0.00 179.25 179.59 3fkj n ARG 313 N -4.47 1.83 -3.88 0.00 1.74 0.41 -4.95 116.66 107.35 3fkj n ARG 313 Ca 0.11 -1.21 -0.29 0.00 -0.77 0.00 0.00 57.85 55.68 3fkj n ARG 313 Cb 0.41 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3fkj n ARG 313 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3fkj n ASN 314 N 0.47 -4.74 -3.57 0.55 5.15 -0.59 -4.95 115.26 107.58 3fkj n ASN 314 Ca 0.18 -0.76 -0.29 0.00 -0.60 0.00 0.00 54.58 53.10 3fkj n ASN 314 Cb 0.42 -4.00 -0.12 0.00 -0.53 0.00 0.00 39.78 35.55 3fkj n ASN 314 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3fkj s HIS 315 N -3.33 1.33 0.57 1.20 2.46 -0.55 -5.06 115.29 111.91 3fkj s HIS 315 Ca 0.62 -2.03 -0.19 0.00 0.47 0.00 0.00 55.06 53.92 3fkj s HIS 315 Cb -0.31 -1.37 -0.06 0.00 -0.13 0.00 0.00 32.58 30.72 3fkj s HIS 315 CO 0.82 -0.81 0.96 -2.30 -2.47 0.00 0.00 174.74 170.95 3fkj n PRO 316 N 3.74 0.98 0.29 2.88 -0.02 -1.26 -4.55 135.00 137.07 3fkj n PRO 316 Ca 0.11 0.37 0.17 0.00 -2.02 0.00 0.00 63.50 62.14 3fkj n PRO 316 Cb 0.36 -2.14 0.86 0.00 -0.02 0.00 0.00 33.50 32.56 3fkj n PRO 316 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fkj h LEU 317 N 0.68 0.00 -0.38 2.45 3.38 -1.92 -1.50 115.31 118.02 3fkj h LEU 317 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3fkj h LEU 317 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3fkj h LEU 317 CO 0.52 0.04 -0.06 0.35 0.09 0.00 0.00 178.44 179.38 3fkj n THR 318 N -3.26 0.00 -1.68 0.22 -2.24 -1.26 -4.87 114.28 101.18 3fkj n THR 318 Ca -0.01 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3fkj n THR 318 Cb 0.22 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 3fkj n THR 318 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3fkj n THR 319 N -0.65 0.44 -4.14 4.28 -1.04 -0.57 -5.02 114.28 107.57 3fkj n THR 319 Ca 0.18 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.05 61.96 3fkj n THR 319 Cb 0.26 -2.13 -0.14 0.00 -1.82 0.00 0.00 70.33 66.50 3fkj n THR 319 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3fkj s ARG 320 N 3.05 0.47 -0.01 -2.82 1.81 -1.26 -4.85 118.95 115.33 3fkj s ARG 320 Ca 0.84 -0.35 0.18 0.00 -1.72 0.00 0.00 55.73 54.68 3fkj s ARG 320 Cb -0.49 -0.39 -0.23 0.00 -0.45 0.00 0.00 34.95 33.39 3fkj s ARG 320 CO 0.39 0.10 0.63 2.89 -0.68 0.00 0.00 175.30 178.63 3fkj n ARG 321 N 2.53 0.82 -2.48 3.54 1.85 -1.26 -5.02 116.66 116.64 3fkj n ARG 321 Ca -0.16 -0.07 -0.24 0.00 -1.00 0.00 0.00 57.85 56.38 3fkj n ARG 321 Cb 0.57 -1.39 0.01 0.00 -1.05 0.00 0.00 32.46 30.59 3fkj n ARG 321 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3fkj n TYR 322 N -1.71 3.06 -0.06 2.89 4.01 -1.26 -4.71 117.16 119.39 3fkj n TYR 322 Ca 0.01 -3.01 0.00 0.00 -0.16 0.00 0.00 57.90 54.74 3fkj n TYR 322 Cb 0.36 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 3fkj n TYR 322 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3fkj n TRP 324 N -0.44 0.00 0.00 -0.72 8.01 -1.26 -1.88 117.44 121.15 3fkj n TRP 324 Ca 0.35 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.54 3fkj n TRP 324 Cb 0.70 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.00 3fkj n TRP 324 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3fkj n LYS 325 N 0.00 0.20 -4.32 -0.99 5.02 -1.26 -5.12 118.16 111.69 3fkj n LYS 325 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3fkj n LYS 325 Cb 0.00 -0.61 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 3fkj n LYS 325 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3fkj s VAL 326 N -1.23 0.88 0.08 -0.18 -7.23 -0.79 -5.14 120.40 106.79 3fkj s VAL 326 Ca 0.00 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 3fkj s VAL 326 Cb 0.00 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 3fkj s VAL 326 CO 0.00 -0.26 0.54 -1.83 -0.31 0.00 0.00 175.10 173.24 3fkj s GLU 327 N -3.91 4.11 0.00 4.82 1.03 -1.26 -5.05 118.70 118.45 3fkj s GLU 327 Ca 0.30 0.64 0.00 0.00 0.03 0.00 0.00 54.97 55.94 3fkj s GLU 327 Cb 0.06 -3.17 0.00 0.00 -0.80 0.00 0.00 34.13 30.22 3fkj s GLU 327 CO 0.09 0.61 0.00 2.48 -1.33 0.00 0.00 175.26 177.12