#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f0j h SER 7 N 0.00 0.04 0.00 -1.43 4.64 -2.01 -3.44 113.55 111.34 3f0j h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f0j h SER 7 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3f0j h SER 7 CO 0.00 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 3f0j n LEU 8 N -4.44 0.49 0.28 5.97 4.77 -1.26 -4.81 117.00 118.00 3f0j n LEU 8 Ca 0.06 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.19 3f0j n LEU 8 Cb 0.41 -0.81 0.83 0.00 -2.33 0.00 0.00 43.42 41.53 3f0j n LEU 8 CO 0.36 -0.24 1.03 0.71 -1.33 0.00 0.00 177.39 177.91 3f0j h THR 9 N 0.00 0.35 -0.62 -5.08 1.35 -2.06 -2.08 112.91 104.78 3f0j h THR 9 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3f0j h THR 9 Cb 0.00 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3f0j h THR 9 CO 0.00 0.07 0.00 0.59 -0.25 0.00 0.00 175.52 175.93 3f0j n ASN 10 N -3.44 3.86 -4.69 5.36 5.03 -1.26 -4.94 115.26 115.19 3f0j n ASN 10 Ca -0.02 -2.11 -0.42 0.00 0.87 0.00 0.00 54.58 52.90 3f0j n ASN 10 Cb 0.21 -0.45 -0.03 0.00 -1.02 0.00 0.00 39.78 38.49 3f0j n ASN 10 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3f0j s SER 11 N -1.01 6.83 0.33 6.41 0.15 -0.78 -4.92 113.70 120.71 3f0j s SER 11 Ca 0.43 2.14 0.18 0.00 0.70 0.00 0.00 55.95 59.39 3f0j s SER 11 Cb 0.24 -2.56 0.41 0.00 -1.71 0.00 0.00 66.02 62.39 3f0j s SER 11 CO 0.27 -0.73 1.60 0.77 1.20 0.00 0.00 173.24 176.35 3f0j h SER 12 N 7.87 0.00 0.29 5.45 4.64 -1.92 -3.32 113.55 126.57 3f0j h SER 12 Ca -0.38 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.64 3f0j h SER 12 Cb 1.18 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.30 3f0j h SER 12 CO 0.90 0.43 -1.30 -0.07 -0.87 0.00 0.00 176.83 175.92 3f0j h LEU 13 N 0.00 0.75 -0.65 5.97 3.38 -1.97 -3.40 115.31 119.40 3f0j h LEU 13 Ca -0.00 -0.74 0.13 0.00 0.09 0.00 0.00 57.88 57.35 3f0j h LEU 13 Cb 1.13 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 3f0j h LEU 13 CO 0.06 1.56 -0.22 0.24 0.09 0.00 0.00 178.44 180.17 3f0j h MET 14 N 0.19 -0.05 -0.08 1.13 2.86 -1.91 -0.05 114.93 117.03 3f0j h MET 14 Ca -0.19 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3f0j h MET 14 Cb 1.98 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.65 3f0j h MET 14 CO 0.24 -0.03 0.12 -1.35 1.06 0.00 0.00 176.91 176.95 3f0j h PRO 15 N -0.05 0.00 -0.06 -0.22 0.11 -1.77 -2.19 132.00 127.81 3f0j h PRO 15 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3f0j h PRO 15 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3f0j h PRO 15 CO -0.69 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.35 3f0j n THR 16 N -3.56 0.05 -3.13 -1.15 -2.24 -0.04 -5.00 114.28 99.21 3f0j n THR 16 Ca -0.01 -0.53 -0.28 0.00 -2.27 0.00 0.00 64.05 60.96 3f0j n THR 16 Cb 0.22 1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 3f0j n THR 16 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3f0j s LEU 17 N -1.81 3.94 0.25 3.22 1.43 -0.83 -5.03 118.68 119.85 3f0j s LEU 17 Ca 0.27 0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 3f0j s LEU 17 Cb 0.19 -3.68 -0.16 0.00 0.03 0.00 0.00 46.19 42.58 3f0j s LEU 17 CO 0.28 -0.31 0.74 -3.20 0.23 0.00 0.00 176.35 174.09 3f0j n ASN 18 N -1.30 -0.09 -0.11 2.29 2.85 -1.26 -4.67 115.26 112.97 3f0j n ASN 18 Ca -0.01 1.14 0.02 0.00 -0.11 0.00 0.00 54.58 55.63 3f0j n ASN 18 Cb 0.54 -1.11 0.33 0.00 1.24 0.00 0.00 39.78 40.79 3f0j n ASN 18 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3f0j h PRO 19 N 1.44 0.77 -0.50 1.20 0.11 -1.97 -0.44 132.00 132.60 3f0j h PRO 19 Ca -0.34 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 3f0j h PRO 19 Cb 1.39 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3f0j h PRO 19 CO 0.58 0.51 0.04 1.98 -0.21 0.00 0.00 178.00 180.90 3f0j h MET 20 N 0.79 0.87 -0.63 1.05 1.85 -1.98 -1.66 114.93 115.21 3f0j h MET 20 Ca 0.22 -0.26 0.04 0.00 -0.61 0.00 0.00 59.70 59.09 3f0j h MET 20 Cb -0.08 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 31.82 3f0j h MET 20 CO -0.05 0.88 0.38 0.82 -0.40 0.00 0.00 176.91 178.54 3f0j h ILE 21 N 0.74 1.04 -0.54 1.77 2.04 -1.68 -0.87 117.51 120.01 3f0j h ILE 21 Ca 0.15 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3f0j h ILE 21 Cb 0.47 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3f0j h ILE 21 CO 0.02 0.13 0.34 1.56 0.00 0.00 0.00 178.15 180.20 3f0j h GLN 22 N 0.73 0.67 -0.38 2.37 4.20 -0.85 0.24 115.11 122.09 3f0j h GLN 22 Ca 0.26 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3f0j h GLN 22 Cb 0.07 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3f0j h GLN 22 CO -0.13 0.44 -0.17 1.96 -0.67 0.00 0.00 178.83 180.27 3f0j h GLN 23 N 0.69 0.69 -0.41 1.46 1.08 -0.98 -1.36 115.11 116.28 3f0j h GLN 23 Ca 0.21 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 3f0j h GLN 23 Cb -0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3f0j h GLN 23 CO -0.07 0.82 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.42 3f0j h LEU 24 N 0.62 0.84 -0.58 1.46 3.38 -0.83 -0.74 115.31 119.46 3f0j h LEU 24 Ca 0.10 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3f0j h LEU 24 Cb 0.63 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3f0j h LEU 24 CO 0.04 1.03 0.37 0.00 0.09 0.00 0.00 178.44 179.98 3f0j h ALA 25 N 0.84 0.75 -0.74 1.53 0.00 -0.76 -0.36 119.26 120.52 3f0j h ALA 25 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3f0j h ALA 25 Cb 0.69 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3f0j h ALA 25 CO 0.05 0.13 0.36 1.25 0.00 0.00 0.00 179.25 181.05 3f0j h LEU 26 N 0.75 0.96 -0.65 0.00 5.85 -1.11 -1.02 115.31 120.10 3f0j h LEU 26 Ca 0.22 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3f0j h LEU 26 Cb -0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3f0j h LEU 26 CO -0.07 0.82 0.05 0.00 -0.34 0.00 0.00 178.44 178.90 3f0j h ALA 27 N 1.18 0.86 -0.15 1.25 0.00 -0.58 0.59 119.26 122.41 3f0j h ALA 27 Ca 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3f0j h ALA 27 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3f0j h ALA 27 CO -0.03 0.67 -0.01 0.82 0.00 0.00 0.00 179.25 180.70 3f0j h ILE 28 N 1.02 1.26 -1.00 0.00 2.04 -0.89 -1.32 117.51 118.62 3f0j h ILE 28 Ca 0.19 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.20 3f0j h ILE 28 Cb 0.51 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3f0j h ILE 28 CO 0.02 0.26 0.66 0.00 0.00 0.00 0.00 178.15 179.09 3f0j h ALA 29 N 0.75 1.29 -0.34 1.87 0.00 -1.06 -1.59 119.26 120.18 3f0j h ALA 29 Ca 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3f0j h ALA 29 Cb 0.39 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3f0j h ALA 29 CO 0.01 0.60 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 3f0j h ALA 30 N 1.39 1.14 -0.75 0.00 0.00 -0.73 -0.89 119.26 119.41 3f0j h ALA 30 Ca 0.38 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3f0j h ALA 30 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3f0j h ALA 30 CO -0.10 0.54 0.27 1.03 0.00 0.00 0.00 179.25 180.99 3f0j h SER 31 N 0.55 1.06 1.43 0.00 0.87 -0.37 -3.15 113.55 113.95 3f0j h SER 31 Ca 0.10 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3f0j h SER 31 Cb 0.55 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3f0j h SER 31 CO 0.03 0.97 -0.58 -0.50 -0.53 0.00 0.00 176.83 176.22 3f0j h TRP 32 N 1.11 0.00 -0.97 2.24 6.55 -0.92 -3.42 115.95 120.54 3f0j h TRP 32 Ca 0.25 0.00 0.10 0.00 0.95 0.00 0.00 58.89 60.19 3f0j h TRP 32 Cb 0.26 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.48 3f0j h TRP 32 CO 0.02 0.12 0.62 0.37 -1.05 0.00 0.00 178.44 178.52 3f0j h GLN 33 N 0.00 0.97 -0.63 0.49 4.15 -1.13 -1.92 115.11 117.05 3f0j h GLN 33 Ca -0.02 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3f0j h GLN 33 Cb 1.10 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3f0j h GLN 33 CO 0.01 0.64 0.00 0.43 -1.93 0.00 0.00 178.83 177.99 3f0j n SER 34 N -4.56 3.72 -4.76 -0.69 7.64 -1.26 -4.97 113.62 108.73 3f0j n SER 34 Ca 0.17 -1.99 -0.29 0.00 1.01 0.00 0.00 58.87 57.76 3f0j n SER 34 Cb 0.31 -0.42 0.13 0.00 -1.01 0.00 0.00 64.21 63.21 3f0j n SER 34 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3f0j s LEU 35 N -1.05 2.20 -1.39 -3.43 1.43 -0.72 -4.91 118.68 110.81 3f0j s LEU 35 Ca 0.43 1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 54.62 3f0j s LEU 35 Cb 0.23 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.88 3f0j s LEU 35 CO 0.30 -2.46 2.04 -0.81 0.23 0.00 0.00 176.35 175.65 3f0j n PRO 36 N -3.74 3.09 -2.49 1.29 -0.04 -1.26 -4.93 135.00 126.92 3f0j n PRO 36 Ca 0.07 -2.96 -0.32 0.00 -0.04 0.00 0.00 63.50 60.24 3f0j n PRO 36 Cb 0.57 -3.23 -0.04 0.00 -0.04 0.00 0.00 33.50 30.75 3f0j n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f0j s LEU 37 N 2.00 3.70 0.09 1.53 1.43 -1.26 -4.46 118.68 121.70 3f0j s LEU 37 Ca 0.46 1.60 -0.05 0.00 -1.03 0.00 0.00 54.13 55.11 3f0j s LEU 37 Cb 0.11 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 3f0j s LEU 37 CO -0.04 -0.54 0.10 -1.59 0.23 0.00 0.00 176.35 174.51 3f0j s LYS 38 N -3.86 0.79 0.65 1.70 -2.85 -0.28 -4.96 119.74 110.93 3f0j s LYS 38 Ca 0.60 -1.13 -0.16 0.00 -1.00 0.00 0.00 55.97 54.27 3f0j s LYS 38 Cb -0.10 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 3f0j s LYS 38 CO 0.27 -0.22 1.15 -2.14 0.10 0.00 0.00 175.35 174.51 3f0j s PRO 39 N -3.91 2.77 -0.19 1.78 0.02 -1.26 -0.55 135.00 133.66 3f0j s PRO 39 Ca 0.09 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3f0j s PRO 39 Cb 0.06 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.67 3f0j s PRO 39 CO -0.08 -1.30 -0.17 -0.47 -0.33 0.00 0.00 177.00 174.65 3f0j s TYR 40 N -2.06 2.84 -0.35 6.54 5.04 -0.40 -4.53 117.35 124.44 3f0j s TYR 40 Ca 0.71 -1.59 -0.29 0.00 -2.44 0.00 0.00 57.07 53.46 3f0j s TYR 40 Cb -0.24 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.12 3f0j s TYR 40 CO 0.38 -0.78 1.30 -1.14 -1.34 0.00 0.00 175.55 173.98 3f0j s GLN 41 N 1.31 3.82 0.93 4.97 0.74 -1.26 -4.61 119.66 125.56 3f0j s GLN 41 Ca 0.04 1.09 -0.12 0.00 0.05 0.00 0.00 55.36 56.42 3f0j s GLN 41 Cb -0.14 -3.91 0.15 0.00 1.10 0.00 0.00 33.01 30.21 3f0j s GLN 41 CO -0.11 -1.25 1.10 -0.51 -0.55 0.00 0.00 175.29 173.97 3f0j s LEU 42 N 4.62 1.96 0.27 3.68 1.43 -1.26 -4.85 118.68 124.52 3f0j s LEU 42 Ca 0.56 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 3f0j s LEU 42 Cb -0.15 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.37 3f0j s LEU 42 CO 0.26 -2.77 1.09 -2.65 0.23 0.00 0.00 176.35 172.51 3f0j n PRO 43 N -3.94 1.44 -1.95 1.29 -0.02 -1.26 -0.55 135.00 130.00 3f0j n PRO 43 Ca 0.06 0.51 -0.17 0.00 -2.02 0.00 0.00 63.50 61.88 3f0j n PRO 43 Cb 0.57 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 3f0j n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3f0j n GLU 44 N 0.98 -1.64 -4.16 -0.52 1.02 -1.26 -1.95 120.64 113.10 3f0j n GLU 44 Ca 0.10 0.93 -0.31 0.00 -0.02 0.00 0.00 57.16 57.87 3f0j n GLU 44 Cb 0.31 -5.41 -0.05 0.00 -0.02 0.00 0.00 31.44 26.27 3f0j n GLU 44 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3f0j n ASP 45 N -1.44 -0.99 -4.77 1.62 2.03 0.28 -4.85 116.55 108.43 3f0j n ASP 45 Ca -0.19 -1.09 -0.40 0.00 0.52 0.00 0.00 54.79 53.64 3f0j n ASP 45 Cb 0.61 -2.53 0.01 0.00 -0.72 0.00 0.00 41.12 38.50 3f0j n ASP 45 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3f0j s LEU 46 N -7.17 4.13 0.00 -2.67 2.96 -0.82 -4.85 118.68 110.25 3f0j s LEU 46 Ca 0.28 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 57.04 3f0j s LEU 46 Cb -0.15 -3.94 0.00 0.00 0.50 0.00 0.00 46.19 42.60 3f0j s LEU 46 CO 0.94 -1.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 3f0j n GLY 47 N 0.60 1.49 3.74 7.98 0.00 -1.26 -4.64 105.19 113.11 3f0j n GLY 47 Ca 0.05 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3f0j n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f0j s TYR 48 N 0.94 3.91 -0.02 1.61 6.14 -1.26 -1.50 117.35 127.17 3f0j s TYR 48 Ca 0.00 1.83 -0.08 0.00 0.64 0.00 0.00 57.07 59.46 3f0j s TYR 48 Cb 0.00 -2.98 0.01 0.00 0.42 0.00 0.00 41.96 39.41 3f0j s TYR 48 CO 0.00 0.36 0.18 0.54 0.64 0.00 0.00 175.55 177.27 3f0j s VAL 49 N -0.69 0.06 0.03 3.14 0.11 -0.25 -5.01 120.40 117.79 3f0j s VAL 49 Ca 0.43 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.94 3f0j s VAL 49 Cb -0.24 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3f0j s VAL 49 CO 0.30 -0.27 0.09 -1.83 -3.33 0.00 0.00 175.10 170.06 3f0j s GLU 50 N -1.01 0.54 0.07 1.54 -1.05 -1.26 -0.54 118.70 116.99 3f0j s GLU 50 Ca -0.11 -0.67 -0.20 0.00 -0.15 0.00 0.00 54.97 53.83 3f0j s GLU 50 Cb -0.06 0.21 0.05 0.00 -0.44 0.00 0.00 34.13 33.89 3f0j s GLU 50 CO 0.02 -0.13 0.48 0.20 0.95 0.00 0.00 175.26 176.78 3f0j s GLY 51 N -1.91 -0.38 -0.03 -3.83 0.00 -0.42 -5.01 107.32 95.73 3f0j s GLY 51 Ca -0.08 0.39 -0.12 0.00 0.00 0.00 0.00 44.72 44.91 3f0j s GLY 51 CO -0.03 0.10 0.27 -1.60 0.00 0.00 0.00 173.10 171.85 3f0j s ARG 52 N -2.88 0.55 0.00 2.90 3.52 -1.04 -1.06 118.95 120.94 3f0j s ARG 52 Ca -0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3f0j s ARG 52 Cb -0.00 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 3f0j s ARG 52 CO -0.05 -0.14 0.00 1.28 -0.81 0.00 0.00 175.30 175.58 3f0j n LEU 53 N 1.71 0.00 -0.45 -0.88 4.77 -1.18 -4.86 117.00 116.12 3f0j n LEU 53 Ca -0.20 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3f0j n LEU 53 Cb 0.56 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.83 3f0j n LEU 53 CO 0.20 0.00 0.49 -0.62 -1.33 0.00 0.00 177.39 176.14 3f0j n GLU 54 N 0.00 1.21 0.00 3.23 -0.58 -1.26 -4.94 120.64 118.29 3f0j n GLU 54 Ca 0.00 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 55.84 3f0j n GLU 54 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 3f0j n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f0j n GLY 55 N 1.37 2.78 3.87 0.62 0.00 -1.26 -5.14 105.19 107.43 3f0j n GLY 55 Ca 0.11 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3f0j n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f0j s GLU 56 N 3.86 3.69 0.11 1.61 0.41 -1.26 -5.03 118.70 122.08 3f0j s GLU 56 Ca 0.00 0.76 -0.17 0.00 -0.41 0.00 0.00 54.97 55.15 3f0j s GLU 56 Cb 0.00 -2.12 -0.07 0.00 -1.78 0.00 0.00 34.13 30.16 3f0j s GLU 56 CO 0.00 -0.46 0.57 -1.59 -0.49 0.00 0.00 175.26 173.29 3f0j s LYS 57 N -4.85 4.12 -0.16 1.61 -2.85 -1.26 -4.57 119.74 111.79 3f0j s LYS 57 Ca 0.55 0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 56.13 3f0j s LYS 57 Cb -0.11 -3.10 -0.03 0.00 -2.06 0.00 0.00 37.83 32.53 3f0j s LYS 57 CO 0.47 0.56 -0.00 -1.17 0.10 0.00 0.00 175.35 175.32 3f0j s LEU 58 N -1.48 3.47 -0.03 2.77 2.96 -0.22 -0.45 118.68 125.69 3f0j s LEU 58 Ca 0.33 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.27 3f0j s LEU 58 Cb -0.18 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3f0j s LEU 58 CO 0.19 0.19 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.51 3f0j s VAL 59 N 0.24 1.75 -0.02 1.68 1.01 -0.42 -1.30 120.40 123.34 3f0j s VAL 59 Ca -0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3f0j s VAL 59 Cb -0.13 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3f0j s VAL 59 CO 0.02 0.49 -0.01 -0.63 0.00 0.00 0.00 175.10 174.97 3f0j s ILE 60 N -0.29 0.24 -0.28 2.22 1.01 0.30 -1.24 121.20 123.16 3f0j s ILE 60 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 3f0j s ILE 60 Cb -0.11 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 3f0j s ILE 60 CO 0.01 0.14 0.13 -1.61 0.00 0.00 0.00 174.94 173.61 3f0j s GLU 61 N 0.75 3.59 -0.20 2.79 2.02 0.29 -1.09 118.70 126.85 3f0j s GLU 61 Ca -0.08 -0.54 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 3f0j s GLU 61 Cb -0.11 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.59 3f0j s GLU 61 CO -0.01 -0.28 0.13 -0.80 0.02 0.00 0.00 175.26 174.32 3f0j s ASN 62 N 1.64 6.21 -0.03 -0.19 -0.87 -0.56 -1.67 114.94 119.47 3f0j s ASN 62 Ca 0.06 0.24 0.06 0.00 -1.57 0.00 0.00 52.86 51.65 3f0j s ASN 62 Cb -0.16 -2.09 -0.01 0.00 -0.02 0.00 0.00 41.25 38.97 3f0j s ASN 62 CO 0.06 0.19 -0.23 -0.13 -2.57 0.00 0.00 177.10 174.43 3f0j s ARG 63 N 0.30 2.01 -0.15 -0.60 0.52 -0.26 -4.64 118.95 116.12 3f0j s ARG 63 Ca 0.08 -0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 3f0j s ARG 63 Cb -0.11 -1.84 0.05 0.00 0.52 0.00 0.00 34.95 33.57 3f0j s ARG 63 CO -0.02 0.43 0.38 0.00 0.02 0.00 0.00 175.30 176.11 3f0j s TYR 65 N 1.00 1.60 0.08 0.00 2.02 -0.19 -1.27 117.35 120.58 3f0j s TYR 65 Ca -0.06 -1.37 -0.10 0.00 -0.37 0.00 0.00 57.07 55.17 3f0j s TYR 65 Cb -0.07 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 3f0j s TYR 65 CO -0.08 -0.52 0.22 1.14 -1.57 0.00 0.00 175.55 174.74 3f0j s GLN 66 N -3.82 0.84 0.30 -0.62 -2.07 0.29 -0.10 119.66 114.47 3f0j s GLN 66 Ca 0.36 -0.85 0.03 0.00 -1.82 0.00 0.00 55.36 53.08 3f0j s GLN 66 Cb 0.05 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 3f0j s GLN 66 CO 0.17 -0.27 0.28 0.95 -1.32 0.00 0.00 175.29 175.11 3f0j s THR 67 N -3.54 0.00 0.50 3.63 -4.23 -0.39 -1.12 115.64 110.48 3f0j s THR 67 Ca 0.02 -1.91 0.25 0.00 -1.18 0.00 0.00 61.69 58.87 3f0j s THR 67 Cb 0.03 -2.51 0.29 0.00 1.34 0.00 0.00 72.50 71.65 3f0j s THR 67 CO -0.09 0.00 2.13 -0.65 -0.54 0.00 0.00 174.62 175.47 3f0j h PRO 68 N 2.26 0.00 0.00 3.99 0.11 -2.00 -2.75 132.00 133.61 3f0j h PRO 68 Ca -0.28 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 3f0j h PRO 68 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3f0j h PRO 68 CO 0.41 0.08 -1.70 1.04 -0.21 0.00 0.00 178.00 177.62 3f0j n GLN 69 N -3.92 0.64 -4.01 1.05 3.00 -1.26 -4.75 117.38 108.12 3f0j n GLN 69 Ca -0.02 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 3f0j n GLN 69 Cb 0.17 -1.67 -0.15 0.00 0.00 0.00 0.00 30.24 28.59 3f0j n GLN 69 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3f0j s PHE 70 N -3.11 3.21 0.27 1.08 0.40 -1.04 -0.89 117.98 117.90 3f0j s PHE 70 Ca -0.05 -2.06 -0.02 0.00 -0.60 0.00 0.00 56.93 54.20 3f0j s PHE 70 Cb 0.10 -1.99 0.41 0.00 0.51 0.00 0.00 43.02 42.04 3f0j s PHE 70 CO 0.84 -0.84 1.90 -0.09 0.70 0.00 0.00 175.22 177.73 3f0j h ARG 71 N 7.88 1.15 -2.37 0.44 2.43 -0.84 -1.03 114.38 122.04 3f0j h ARG 71 Ca -0.23 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 58.81 3f0j h ARG 71 Cb 1.06 -0.26 -0.24 0.00 -0.42 0.00 0.00 29.97 30.11 3f0j h ARG 71 CO 0.51 0.76 -0.16 0.21 -1.51 0.00 0.00 179.97 179.78 3f0j s LYS 72 N -6.03 0.54 -0.33 0.20 2.20 -1.10 -4.68 119.74 110.53 3f0j s LYS 72 Ca -0.12 0.96 0.02 0.00 -0.36 0.00 0.00 55.97 56.47 3f0j s LYS 72 Cb 0.20 0.06 0.10 0.00 -1.51 0.00 0.00 37.83 36.68 3f0j s LYS 72 CO 0.81 -0.15 0.07 -1.64 -0.36 0.00 0.00 175.35 174.08 3f0j s MET 73 N 1.42 1.23 -0.07 4.03 -1.94 0.85 -0.17 119.30 124.65 3f0j s MET 73 Ca -0.09 -1.62 -0.16 0.00 -1.71 0.00 0.00 55.69 52.11 3f0j s MET 73 Cb -0.07 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 3f0j s MET 73 CO -0.15 -0.96 0.41 -1.01 -0.01 0.00 0.00 175.02 173.30 3f0j s HIS 74 N 1.12 3.60 -0.09 -0.03 3.76 0.32 -1.02 115.29 122.94 3f0j s HIS 74 Ca 0.11 0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 55.87 3f0j s HIS 74 Cb -0.19 -2.39 0.03 0.00 1.11 0.00 0.00 32.58 31.15 3f0j s HIS 74 CO -0.14 0.40 0.02 -1.17 -0.85 0.00 0.00 174.74 173.00 3f0j s LEU 75 N -0.17 0.63 -0.11 0.89 2.96 -0.28 -2.51 118.68 120.09 3f0j s LEU 75 Ca 0.23 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3f0j s LEU 75 Cb -0.15 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 3f0j s LEU 75 CO 0.10 -0.22 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.17 3f0j s GLU 76 N 1.98 3.17 -0.07 1.98 8.01 0.58 -1.10 118.70 133.25 3f0j s GLU 76 Ca 0.04 -0.69 0.04 0.00 0.01 0.00 0.00 54.97 54.37 3f0j s GLU 76 Cb -0.13 -2.57 -0.02 0.00 -4.31 0.00 0.00 34.13 27.10 3f0j s GLU 76 CO -0.06 0.32 -0.18 -0.51 0.01 0.00 0.00 175.26 174.84 3f0j s LEU 77 N 0.08 2.48 0.04 1.80 1.43 -0.67 -1.01 118.68 122.83 3f0j s LEU 77 Ca -0.06 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3f0j s LEU 77 Cb -0.15 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 3f0j s LEU 77 CO 0.04 0.28 0.14 0.00 0.23 0.00 0.00 176.35 177.05 3f0j s ALA 78 N -0.34 -0.20 -0.02 4.21 0.00 -0.02 -0.55 121.76 124.85 3f0j s ALA 78 Ca 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 3f0j s ALA 78 Cb -0.13 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3f0j s ALA 78 CO 0.02 -0.35 0.04 0.21 0.00 0.00 0.00 175.76 175.68 3f0j s LYS 79 N -2.67 0.02 -0.26 0.00 2.20 -0.37 -0.59 119.74 118.06 3f0j s LYS 79 Ca -0.04 0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 55.59 3f0j s LYS 79 Cb -0.01 -0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 3f0j s LYS 79 CO -0.05 -0.06 0.09 0.08 -0.36 0.00 0.00 175.35 175.05 3f0j s VAL 80 N 0.37 4.36 0.00 4.02 1.01 0.35 -1.30 120.40 129.21 3f0j s VAL 80 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3f0j s VAL 80 Cb -0.04 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3f0j s VAL 80 CO -0.01 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3f0j n GLY 81 N 4.93 2.47 0.94 4.51 0.00 0.40 -2.17 105.19 116.27 3f0j n GLY 81 Ca -0.16 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.62 3f0j n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f0j n LYS 82 N 13.18 2.18 0.00 1.61 5.02 -1.26 -4.68 118.16 134.21 3f0j n LYS 82 Ca 0.00 -1.92 0.07 0.00 -2.02 0.00 0.00 58.31 54.44 3f0j n LYS 82 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3f0j n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f0j n GLY 83 N 1.29 -0.06 3.28 0.72 0.00 -0.92 -4.79 105.19 104.71 3f0j n GLY 83 Ca 0.14 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3f0j n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f0j s LEU 84 N -1.92 -0.62 0.01 0.99 2.96 -1.04 -3.92 118.68 115.14 3f0j s LEU 84 Ca 0.12 1.00 0.05 0.00 -0.22 0.00 0.00 54.13 55.09 3f0j s LEU 84 Cb 0.12 1.38 -0.03 0.00 0.50 0.00 0.00 46.19 48.16 3f0j s LEU 84 CO 0.37 -0.23 -0.14 -1.81 -1.32 0.00 0.00 176.35 173.22 3f0j s ASP 85 N 2.53 4.08 -0.00 3.68 1.01 0.08 -0.50 116.67 127.55 3f0j s ASP 85 Ca -0.02 -0.30 0.01 0.00 0.71 0.00 0.00 52.55 52.94 3f0j s ASP 85 Cb -0.12 -0.79 -0.00 0.00 1.01 0.00 0.00 42.92 43.02 3f0j s ASP 85 CO -0.13 0.28 -0.02 -0.63 0.21 0.00 0.00 175.17 174.88 3f0j s ILE 86 N -0.91 0.14 -0.07 0.77 1.01 0.25 -0.91 121.20 121.47 3f0j s ILE 86 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.73 3f0j s ILE 86 Cb -0.11 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.24 3f0j s ILE 86 CO 0.05 0.02 -0.19 -0.22 0.00 0.00 0.00 174.94 174.60 3f0j s LEU 87 N -0.09 1.91 -0.01 2.97 0.20 -0.28 -0.84 118.68 122.54 3f0j s LEU 87 Ca 0.00 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.43 3f0j s LEU 87 Cb -0.01 -1.13 -0.01 0.00 -0.43 0.00 0.00 46.19 44.61 3f0j s LEU 87 CO -0.00 0.13 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.48 3f0j s GLN 88 N 0.32 1.10 -0.08 1.98 -0.44 -0.18 -0.64 119.66 121.72 3f0j s GLN 88 Ca -0.13 -0.47 -0.05 0.00 -2.50 0.00 0.00 55.36 52.21 3f0j s GLN 88 Cb -0.15 -1.06 0.03 0.00 -1.64 0.00 0.00 33.01 30.20 3f0j s GLN 88 CO 0.05 0.28 0.20 0.00 0.50 0.00 0.00 175.29 176.32 3f0j s VAL 90 N 0.84 0.25 -0.39 0.00 1.01 -1.04 -0.87 120.40 120.20 3f0j s VAL 90 Ca -0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3f0j s VAL 90 Cb -0.08 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.06 3f0j s VAL 90 CO -0.05 0.12 0.25 -0.04 0.00 0.00 0.00 175.10 175.38 3f0j s MET 91 N 0.50 2.85 -0.24 2.72 -1.94 -0.20 -0.52 119.30 122.47 3f0j s MET 91 Ca -0.05 -1.11 -0.21 0.00 -1.71 0.00 0.00 55.69 52.61 3f0j s MET 91 Cb -0.08 -3.84 -0.02 0.00 2.01 0.00 0.00 34.83 32.91 3f0j s MET 91 CO -0.01 -0.76 0.66 -0.06 -0.01 0.00 0.00 175.02 174.84 3f0j s PHE 92 N 1.59 3.30 0.52 -0.03 0.40 0.76 -3.38 117.98 121.13 3f0j s PHE 92 Ca 0.03 0.88 -0.18 0.00 -0.60 0.00 0.00 56.93 57.06 3f0j s PHE 92 Cb -0.20 -2.86 -0.07 0.00 0.51 0.00 0.00 43.02 40.40 3f0j s PHE 92 CO 0.07 -0.31 1.03 -1.25 0.70 0.00 0.00 175.22 175.46 3f0j s PRO 93 N 2.44 3.73 -0.12 0.24 0.04 -1.26 -0.30 135.00 139.76 3f0j s PRO 93 Ca 0.28 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 3f0j s PRO 93 Cb -0.16 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3f0j s PRO 93 CO 0.09 -0.48 1.27 -1.21 0.04 0.00 0.00 177.00 176.71 3f0j s GLU 94 N -3.59 4.26 0.53 4.56 0.41 -0.07 -4.27 118.70 120.54 3f0j s GLU 94 Ca 0.64 1.70 0.19 0.00 -0.41 0.00 0.00 54.97 57.10 3f0j s GLU 94 Cb -0.15 -3.71 1.36 0.00 -1.78 0.00 0.00 34.13 29.85 3f0j s GLU 94 CO 0.26 -0.64 2.13 -1.35 -0.49 0.00 0.00 175.26 175.17 3f0j h PRO 95 N 8.04 0.00 -0.88 0.39 0.11 -1.89 -0.73 132.00 137.04 3f0j h PRO 95 Ca -0.29 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.07 3f0j h PRO 95 Cb 1.12 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3f0j h PRO 95 CO 0.94 0.00 0.70 1.25 -0.21 0.00 0.00 178.00 180.68 3f0j h LEU 96 N 0.00 0.00 -0.50 2.35 5.85 -1.91 -1.03 115.31 120.07 3f0j h LEU 96 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3f0j h LEU 96 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3f0j h LEU 96 CO -0.00 0.00 -0.68 -1.22 -0.34 0.00 0.00 178.44 176.19 3f0j n TYR 97 N -4.06 0.00 -1.58 1.25 4.01 -0.28 -0.56 117.16 115.95 3f0j n TYR 97 Ca 0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.80 3f0j n TYR 97 Cb 1.01 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.99 3f0j n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f0j n GLY 98 N 1.41 1.01 3.83 2.72 0.00 -0.39 -4.71 105.19 109.06 3f0j n GLY 98 Ca 0.06 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3f0j n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f0j s LEU 99 N -3.09 3.79 1.10 0.99 1.43 -1.26 -4.91 118.68 116.74 3f0j s LEU 99 Ca 0.00 1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 54.55 3f0j s LEU 99 Cb 0.00 -4.52 0.25 0.00 0.03 0.00 0.00 46.19 41.95 3f0j s LEU 99 CO 0.00 -0.46 1.21 -2.16 0.23 0.00 0.00 176.35 175.16 3f0j s PRO 100 N -3.59 -0.44 -0.36 1.29 0.04 -1.26 -4.74 135.00 125.94 3f0j s PRO 100 Ca 0.60 -0.23 -0.14 0.00 0.04 0.00 0.00 61.00 61.27 3f0j s PRO 100 Cb -0.09 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 3f0j s PRO 100 CO 0.22 -3.16 0.31 -0.51 0.04 0.00 0.00 177.00 173.89 3f0j s LEU 101 N -6.49 4.64 0.12 -3.56 1.43 -0.11 -4.59 118.68 110.12 3f0j s LEU 101 Ca 0.72 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 3f0j s LEU 101 Cb -0.07 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 3f0j s LEU 101 CO 0.55 -0.34 1.09 0.12 0.23 0.00 0.00 176.35 178.00 3f0j s PHE 102 N 1.85 3.59 0.01 0.29 2.19 -1.22 -0.68 117.98 124.02 3f0j s PHE 102 Ca 0.08 1.57 -0.10 0.00 0.33 0.00 0.00 56.93 58.81 3f0j s PHE 102 Cb -0.17 -3.26 0.01 0.00 -1.31 0.00 0.00 43.02 38.28 3f0j s PHE 102 CO 0.11 -0.59 0.21 0.20 1.83 0.00 0.00 175.22 176.98 3f0j s GLY 103 N 0.30 -0.02 0.05 13.12 0.00 -0.48 -1.03 107.32 119.26 3f0j s GLY 103 Ca 0.51 -0.03 -0.16 0.00 0.00 0.00 0.00 44.72 45.04 3f0j s GLY 103 CO 0.32 -0.20 0.37 0.00 0.00 0.00 0.00 173.10 173.59 3f0j s ASP 105 N -2.14 0.06 -0.06 0.00 3.68 -0.36 -1.08 116.67 116.77 3f0j s ASP 105 Ca -0.04 0.32 0.03 0.00 2.13 0.00 0.00 52.55 54.99 3f0j s ASP 105 Cb -0.00 0.22 0.01 0.00 -1.45 0.00 0.00 42.92 41.70 3f0j s ASP 105 CO -0.04 -0.17 -0.14 -0.63 0.13 0.00 0.00 175.17 174.33 3f0j s ILE 106 N 1.42 1.20 -0.06 4.11 -1.09 0.19 -0.77 121.20 126.19 3f0j s ILE 106 Ca -0.07 -0.54 0.02 0.00 -2.23 0.00 0.00 60.65 57.83 3f0j s ILE 106 Cb -0.12 -1.07 0.01 0.00 -1.58 0.00 0.00 42.46 39.71 3f0j s ILE 106 CO -0.06 0.36 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.20 3f0j s VAL 107 N 0.43 1.10 0.02 2.92 1.01 -0.27 -1.12 120.40 124.49 3f0j s VAL 107 Ca -0.10 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3f0j s VAL 107 Cb -0.14 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3f0j s VAL 107 CO 0.03 0.34 -0.05 0.00 0.00 0.00 0.00 175.10 175.42 3f0j s ALA 108 N 0.61 0.37 0.29 5.51 0.00 -0.08 -0.46 121.76 127.99 3f0j s ALA 108 Ca -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3f0j s ALA 108 Cb -0.15 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 3f0j s ALA 108 CO 0.03 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.16 3f0j n GLY 109 N 1.88 3.83 0.41 0.00 0.00 -0.09 -0.74 105.19 110.48 3f0j n GLY 109 Ca -0.21 -2.30 0.21 0.00 0.00 0.00 0.00 46.02 43.72 3f0j n GLY 109 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f0j h PRO 110 N 0.00 0.37 -0.00 1.61 0.11 -1.87 -0.45 132.00 131.77 3f0j h PRO 110 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3f0j h PRO 110 Cb 0.73 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3f0j h PRO 110 CO 0.40 0.25 -0.00 0.41 -0.21 0.00 0.00 178.00 178.85 3f0j n GLY 111 N -1.52 -0.94 0.00 -0.55 0.00 -1.26 -5.03 105.19 95.89 3f0j n GLY 111 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3f0j n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f0j n GLY 112 N 1.03 0.31 3.69 -0.02 0.00 -0.18 -5.01 105.19 105.01 3f0j n GLY 112 Ca 0.23 -2.31 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3f0j n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f0j s VAL 113 N -0.16 4.05 -0.09 1.61 1.01 -1.26 -0.91 120.40 124.65 3f0j s VAL 113 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.40 3f0j s VAL 113 Cb 0.00 -3.90 -0.25 0.00 0.00 0.00 0.00 36.38 32.23 3f0j s VAL 113 CO 0.00 0.01 0.50 -1.54 0.00 0.00 0.00 175.10 174.07 3f0j n SER 114 N 5.12 1.57 -3.80 3.32 3.41 0.39 -4.32 113.62 119.31 3f0j n SER 114 Ca 0.11 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.88 3f0j n SER 114 Cb 0.45 -0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 63.74 3f0j n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f0j s ALA 115 N -2.58 0.07 -0.08 7.33 0.00 -0.96 -4.22 121.76 121.32 3f0j s ALA 115 Ca -0.15 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3f0j s ALA 115 Cb 0.07 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3f0j s ALA 115 CO 0.79 -0.08 0.02 0.00 0.00 0.00 0.00 175.76 176.50 3f0j s ALA 116 N 0.77 0.60 -0.04 0.00 0.00 -0.16 -1.11 121.76 121.82 3f0j s ALA 116 Ca -0.06 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3f0j s ALA 116 Cb -0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3f0j s ALA 116 CO -0.02 -0.58 -0.19 0.42 0.00 0.00 0.00 175.76 175.39 3f0j s ILE 117 N 2.02 1.53 -0.09 0.00 1.09 0.05 -1.55 121.20 124.25 3f0j s ILE 117 Ca 0.04 -0.78 -0.16 0.00 -1.10 0.00 0.00 60.65 58.65 3f0j s ILE 117 Cb -0.13 -1.30 0.04 0.00 -1.06 0.00 0.00 42.46 40.00 3f0j s ILE 117 CO -0.05 0.44 0.39 0.00 -0.10 0.00 0.00 174.94 175.61 3f0j s ALA 118 N -0.06 -0.98 0.16 9.38 0.00 -0.68 -1.23 121.76 128.36 3f0j s ALA 118 Ca -0.02 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 3f0j s ALA 118 Cb -0.11 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.75 3f0j s ALA 118 CO 0.02 -0.23 0.57 0.34 0.00 0.00 0.00 175.76 176.46 3f0j s ASP 119 N -0.50 -0.48 -0.36 0.00 3.68 -0.10 -0.69 116.67 118.22 3f0j s ASP 119 Ca -0.06 -0.11 -0.04 0.00 2.13 0.00 0.00 52.55 54.47 3f0j s ASP 119 Cb -0.04 0.59 0.07 0.00 -1.45 0.00 0.00 42.92 42.09 3f0j s ASP 119 CO 0.03 -0.98 0.12 -0.76 0.13 0.00 0.00 175.17 173.71 3f0j s LEU 120 N -2.77 4.55 -0.05 -1.34 1.43 -1.26 -1.38 118.68 117.85 3f0j s LEU 120 Ca 0.02 -1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 51.56 3f0j s LEU 120 Cb -0.01 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3f0j s LEU 120 CO -0.11 -0.39 0.22 -0.44 0.23 0.00 0.00 176.35 175.86 3f0j s SER 121 N 1.56 6.48 0.62 2.29 0.01 0.14 -4.35 113.70 120.46 3f0j s SER 121 Ca 0.01 0.56 -0.16 0.00 1.31 0.00 0.00 55.95 57.66 3f0j s SER 121 Cb -0.21 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 3f0j s SER 121 CO -0.01 0.34 1.10 -2.16 0.41 0.00 0.00 173.24 172.92 3f0j s PRO 122 N -1.33 3.04 0.00 12.44 0.04 -1.26 -0.93 135.00 147.00 3f0j s PRO 122 Ca 0.21 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3f0j s PRO 122 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3f0j s PRO 122 CO 0.10 -1.06 0.00 0.25 0.04 0.00 0.00 177.00 176.33 3f0j n THR 123 N -2.08 0.00 -1.89 1.26 -2.24 -1.26 -4.82 114.28 103.26 3f0j n THR 123 Ca 0.10 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 3f0j n THR 123 Cb 0.52 0.85 0.04 0.00 -2.10 0.00 0.00 70.33 69.64 3f0j n THR 123 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3f0j s GLN 124 N -0.98 2.82 0.51 -0.78 -0.21 -1.26 -3.76 119.66 115.99 3f0j s GLN 124 Ca 0.00 1.75 0.28 0.00 0.02 0.00 0.00 55.36 57.41 3f0j s GLN 124 Cb 0.00 -1.92 1.32 0.00 1.00 0.00 0.00 33.01 33.41 3f0j s GLN 124 CO 0.00 -1.31 1.99 0.66 -2.12 0.00 0.00 175.29 174.52 3f0j h SER 125 N 0.57 0.00 -0.00 5.90 4.64 -1.92 -1.15 113.55 121.59 3f0j h SER 125 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3f0j h SER 125 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3f0j h SER 125 CO 0.54 0.14 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 3f0j n ASP 126 N -3.45 0.09 -0.76 4.97 3.85 -1.26 -4.89 116.55 115.10 3f0j n ASP 126 Ca -0.01 -1.22 -0.10 0.00 -0.71 0.00 0.00 54.79 52.75 3f0j n ASP 126 Cb 0.30 -0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.03 3f0j n ASP 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3f0j n ARG 127 N -0.84 -1.12 -4.05 0.11 1.74 -0.43 -4.99 116.66 107.08 3f0j n ARG 127 Ca 0.19 0.80 -0.31 0.00 -0.77 0.00 0.00 57.85 57.76 3f0j n ARG 127 Cb 0.10 -4.89 -0.06 0.00 -1.02 0.00 0.00 32.46 26.59 3f0j n ARG 127 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3f0j s GLN 128 N -2.65 3.02 0.63 5.56 -1.52 -1.26 -4.80 119.66 118.64 3f0j s GLN 128 Ca 0.00 -0.59 -0.16 0.00 -1.95 0.00 0.00 55.36 52.66 3f0j s GLN 128 Cb 0.00 -2.81 -0.01 0.00 -0.22 0.00 0.00 33.01 29.96 3f0j s GLN 128 CO 0.00 0.60 1.11 -0.51 -0.25 0.00 0.00 175.29 176.24 3f0j s LEU 129 N -2.21 3.46 0.75 2.90 1.43 -1.26 -4.31 118.68 119.45 3f0j s LEU 129 Ca 0.28 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 3f0j s LEU 129 Cb -0.12 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.57 3f0j s LEU 129 CO 0.20 -1.51 0.99 -2.65 0.23 0.00 0.00 176.35 173.61 3f0j n PRO 130 N -2.18 0.41 -0.26 1.29 -0.02 -1.26 -4.69 135.00 128.29 3f0j n PRO 130 Ca 0.10 0.20 0.03 0.00 -2.02 0.00 0.00 63.50 61.82 3f0j n PRO 130 Cb 0.52 -2.25 0.17 0.00 -0.02 0.00 0.00 33.50 31.92 3f0j n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f0j h ALA 131 N -0.44 1.07 -0.28 3.55 0.00 -1.99 -1.26 119.26 119.90 3f0j h ALA 131 Ca -0.47 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3f0j h ALA 131 Cb 1.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3f0j h ALA 131 CO 0.46 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 3f0j h ALA 132 N 1.48 1.38 -0.33 0.00 0.00 -2.00 -0.95 119.26 118.84 3f0j h ALA 132 Ca 0.39 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3f0j h ALA 132 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3f0j h ALA 132 CO -0.32 0.43 -0.14 1.88 0.00 0.00 0.00 179.25 181.10 3f0j h TYR 133 N 0.43 0.78 -0.63 0.00 -1.99 -1.61 -1.72 116.97 112.23 3f0j h TYR 133 Ca 0.09 -0.19 0.04 0.00 2.00 0.00 0.00 58.73 60.67 3f0j h TYR 133 Cb 0.37 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 3f0j h TYR 133 CO 0.01 0.88 0.37 1.96 -0.00 0.00 0.00 178.16 181.38 3f0j h GLN 134 N 0.46 0.68 -0.17 4.88 4.20 -0.65 -0.08 115.11 124.42 3f0j h GLN 134 Ca 0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3f0j h GLN 134 Cb 0.66 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3f0j h GLN 134 CO 0.04 0.45 0.08 0.87 -0.67 0.00 0.00 178.83 179.60 3f0j h LYS 135 N 0.70 0.25 -0.29 1.46 1.57 -1.12 -1.76 116.57 117.39 3f0j h LYS 135 Ca 0.27 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 3f0j h LYS 135 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3f0j h LYS 135 CO -0.14 0.31 -0.35 0.77 -0.57 0.00 0.00 179.45 179.47 3f0j h SER 136 N 0.14 0.67 -0.43 0.86 0.02 -1.04 -2.83 113.55 110.94 3f0j h SER 136 Ca 0.06 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 3f0j h SER 136 Cb 0.15 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3f0j h SER 136 CO -0.01 0.96 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.42 3f0j h LEU 137 N 0.53 0.87 -0.88 5.07 3.38 -0.94 -2.98 115.31 120.37 3f0j h LEU 137 Ca 0.05 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3f0j h LEU 137 Cb 0.86 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3f0j h LEU 137 CO 0.07 1.06 0.55 0.00 0.09 0.00 0.00 178.44 180.21 3f0j h ALA 138 N 0.84 1.20 0.00 1.53 0.00 -1.24 -1.81 119.26 119.79 3f0j h ALA 138 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3f0j h ALA 138 Cb 0.70 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3f0j h ALA 138 CO 0.05 0.31 0.00 0.93 0.00 0.00 0.00 179.25 180.54 3f0j h GLU 139 N 1.01 0.00 0.00 0.00 4.39 -1.34 -1.09 114.58 117.55 3f0j h GLU 139 Ca 0.38 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.97 3f0j h GLU 139 Cb 0.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3f0j h GLU 139 CO -0.17 0.00 -0.53 -0.07 -1.16 0.00 0.00 179.01 177.08 3f0j h LEU 140 N 0.00 0.00 -0.03 1.33 3.38 -1.36 -3.50 115.31 115.13 3f0j h LEU 140 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3f0j h LEU 140 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3f0j h LEU 140 CO 0.00 0.53 -0.06 0.61 0.09 0.00 0.00 178.44 179.61 3f0j n GLY 141 N 0.62 -2.61 3.67 0.83 0.00 -0.41 -4.86 105.19 102.42 3f0j n GLY 141 Ca 0.00 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 3f0j n GLY 141 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3f0j s GLN 142 N -3.00 4.30 0.49 1.61 2.00 -1.26 -5.01 119.66 118.79 3f0j s GLN 142 Ca 0.00 1.47 -0.18 0.00 -2.00 0.00 0.00 55.36 54.64 3f0j s GLN 142 Cb 0.00 -3.63 -0.09 0.00 0.80 0.00 0.00 33.01 30.09 3f0j s GLN 142 CO 0.00 -0.55 0.98 -1.25 -0.50 0.00 0.00 175.29 173.96 3f0j s PRO 143 N 2.88 4.03 -0.18 1.67 0.04 -1.26 -5.02 135.00 137.15 3f0j s PRO 143 Ca 0.49 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 3f0j s PRO 143 Cb -0.18 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 3f0j s PRO 143 CO 0.12 -0.20 0.07 -1.21 0.04 0.00 0.00 177.00 175.82 3f0j s GLU 144 N -3.74 3.94 -0.02 4.56 0.41 -1.26 -5.07 118.70 117.52 3f0j s GLU 144 Ca 0.60 -0.32 0.01 0.00 -0.41 0.00 0.00 54.97 54.85 3f0j s GLU 144 Cb -0.10 -3.22 0.01 0.00 -1.78 0.00 0.00 34.13 29.05 3f0j s GLU 144 CO 0.25 0.32 -0.01 -0.06 -0.49 0.00 0.00 175.26 175.27 3f0j s PHE 145 N 0.25 0.24 0.23 1.61 0.40 -1.26 -5.03 117.98 114.41 3f0j s PHE 145 Ca 0.05 -0.00 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 3f0j s PHE 145 Cb -0.12 -0.27 0.22 0.00 0.51 0.00 0.00 43.02 43.37 3f0j s PHE 145 CO 0.00 -0.07 1.54 0.93 0.70 0.00 0.00 175.22 178.32 3f0j h GLU 146 N 6.73 0.23 -2.58 0.44 5.08 -1.98 -3.38 114.58 119.12 3f0j h GLU 146 Ca -0.36 -0.17 -0.61 0.00 -1.00 0.00 0.00 59.36 57.23 3f0j h GLU 146 Cb 1.16 0.03 -0.41 0.00 0.50 0.00 0.00 28.75 30.03 3f0j h GLU 146 CO 0.49 0.79 -0.65 1.04 -1.00 0.00 0.00 179.01 179.68 3f0j n GLN 147 N -3.85 1.93 -2.50 2.33 6.02 -1.26 -5.09 117.38 114.96 3f0j n GLN 147 Ca -0.02 -4.39 -0.34 0.00 -0.01 0.00 0.00 57.00 52.24 3f0j n GLN 147 Cb 0.64 -2.16 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 3f0j n GLN 147 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3f0j s GLN 148 N -1.77 3.79 0.01 -1.09 -0.21 -1.26 -1.29 119.66 117.84 3f0j s GLN 148 Ca 0.32 1.29 0.07 0.00 0.02 0.00 0.00 55.36 57.06 3f0j s GLN 148 Cb 0.06 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 31.95 3f0j s GLN 148 CO -0.10 -0.43 -0.23 1.03 -2.12 0.00 0.00 175.29 173.44 3f0j s ARG 149 N -3.39 1.71 0.04 2.91 0.52 0.03 -4.87 118.95 115.90 3f0j s ARG 149 Ca 0.66 -0.88 -0.24 0.00 -0.52 0.00 0.00 55.73 54.75 3f0j s ARG 149 Cb -0.15 -1.73 -0.06 0.00 0.52 0.00 0.00 34.95 33.53 3f0j s ARG 149 CO 0.22 0.46 0.72 -1.21 0.02 0.00 0.00 175.30 175.51 3f0j s GLU 150 N -0.79 4.45 0.53 3.54 0.41 -1.26 -4.71 118.70 120.88 3f0j s GLU 150 Ca 0.09 0.98 -0.21 0.00 -0.41 0.00 0.00 54.97 55.42 3f0j s GLU 150 Cb -0.09 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.86 3f0j s GLU 150 CO 0.00 0.33 1.22 -0.51 -0.49 0.00 0.00 175.26 175.81 3f0j s LEU 151 N -0.18 3.83 0.90 1.80 1.43 -1.26 -5.03 118.68 120.17 3f0j s LEU 151 Ca 0.36 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.78 3f0j s LEU 151 Cb -0.20 -4.40 0.13 0.00 0.03 0.00 0.00 46.19 41.74 3f0j s LEU 151 CO 0.22 -1.33 1.10 -2.16 0.23 0.00 0.00 176.35 174.41 3f0j s PRO 152 N -3.02 1.27 0.28 1.29 0.04 -1.26 -4.87 135.00 128.74 3f0j s PRO 152 Ca 0.71 0.58 0.01 0.00 0.04 0.00 0.00 61.00 62.35 3f0j s PRO 152 Cb -0.32 -1.83 0.55 0.00 0.04 0.00 0.00 34.50 32.95 3f0j s PRO 152 CO 0.36 -2.17 1.83 -1.35 0.04 0.00 0.00 177.00 175.72 3f0j h PRO 153 N -1.49 0.96 0.00 0.56 0.11 -2.02 0.91 132.00 131.03 3f0j h PRO 153 Ca -0.50 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3f0j h PRO 153 Cb 1.30 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3f0j h PRO 153 CO 0.58 0.63 0.00 0.11 -0.21 0.00 0.00 178.00 179.12 3f0j h TRP 154 N 0.99 0.00 0.00 0.65 5.08 -1.92 -2.11 115.95 118.64 3f0j h TRP 154 Ca 0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.47 3f0j h TRP 154 Cb 0.49 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 3f0j h TRP 154 CO -0.01 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.56 3f0j n GLY 155 N -0.78 -0.59 0.34 11.11 0.00 0.31 -3.35 105.19 112.23 3f0j n GLY 155 Ca -0.02 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.15 3f0j n GLY 155 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3f0j h GLU 156 N 0.00 0.00 0.00 1.61 -0.00 -1.53 -1.62 114.58 113.04 3f0j h GLU 156 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3f0j h GLU 156 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3f0j h GLU 156 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 179.01 178.17 3f0j h ILE 157 N 0.00 0.00 -4.02 -1.06 3.07 -1.85 -3.45 117.51 110.20 3f0j h ILE 157 Ca 0.03 -0.28 -0.45 0.00 1.55 0.00 0.00 64.86 65.72 3f0j h ILE 157 Cb 0.40 1.24 -0.02 0.00 -0.27 0.00 0.00 36.82 38.17 3f0j h ILE 157 CO -0.00 0.00 0.31 -0.36 -1.05 0.00 0.00 178.15 177.05 3f0j s PHE 158 N -3.81 3.32 0.99 0.16 0.40 -0.61 -4.23 117.98 114.20 3f0j s PHE 158 Ca -0.01 1.57 -0.14 0.00 -0.60 0.00 0.00 56.93 57.75 3f0j s PHE 158 Cb 0.10 -2.81 0.18 0.00 0.51 0.00 0.00 43.02 41.00 3f0j s PHE 158 CO 0.47 -0.09 1.13 -1.54 0.70 0.00 0.00 175.22 175.90 3f0j s SER 159 N -2.19 2.77 0.12 1.36 1.04 -1.26 -4.92 113.70 110.62 3f0j s SER 159 Ca 0.61 0.91 0.17 0.00 0.48 0.00 0.00 55.95 58.12 3f0j s SER 159 Cb -0.09 -1.41 0.73 0.00 0.10 0.00 0.00 66.02 65.35 3f0j s SER 159 CO 0.14 -3.01 1.52 -1.84 0.98 0.00 0.00 173.24 171.03 3f0j n GLU 160 N -4.06 0.08 0.00 4.02 0.28 -1.26 -1.82 120.64 117.89 3f0j n GLU 160 Ca 0.08 0.37 0.14 0.00 -0.16 0.00 0.00 57.16 57.59 3f0j n GLU 160 Cb 0.59 -1.67 0.50 0.00 1.43 0.00 0.00 31.44 32.28 3f0j n GLU 160 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3f0j n TYR 161 N -1.83 0.00 -1.74 -1.84 4.01 -1.26 -4.97 117.16 109.52 3f0j n TYR 161 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 3f0j n TYR 161 Cb 0.16 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 3f0j n TYR 161 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3f0j s LEU 163 N -0.66 4.36 -0.27 0.00 1.43 0.14 -4.97 118.68 118.71 3f0j s LEU 163 Ca 0.63 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3f0j s LEU 163 Cb -0.50 -2.25 0.14 0.00 0.03 0.00 0.00 46.19 43.61 3f0j s LEU 163 CO 0.51 0.30 0.35 0.12 0.23 0.00 0.00 176.35 177.86 3f0j s PHE 164 N -0.56 -0.75 0.12 0.29 5.99 -1.25 -1.69 117.98 120.14 3f0j s PHE 164 Ca 0.16 0.37 -0.02 0.00 0.00 0.00 0.00 56.93 57.44 3f0j s PHE 164 Cb -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 43.02 42.66 3f0j s PHE 164 CO 0.05 -0.85 0.06 0.96 -0.00 0.00 0.00 175.22 175.45 3f0j s ILE 165 N 2.48 0.12 -0.35 3.12 -4.36 -0.60 -0.79 121.20 120.83 3f0j s ILE 165 Ca 0.10 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.55 3f0j s ILE 165 Cb -0.14 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.67 3f0j s ILE 165 CO -0.24 -0.56 0.20 -0.60 0.24 0.00 0.00 174.94 173.98 3f0j s ARG 166 N -4.01 3.19 0.34 0.37 3.52 -0.41 -0.98 118.95 120.96 3f0j s ARG 166 Ca 0.20 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.67 3f0j s ARG 166 Cb 0.07 -3.71 -0.11 0.00 -1.56 0.00 0.00 34.95 29.63 3f0j s ARG 166 CO -0.01 -0.54 1.52 -2.30 -0.81 0.00 0.00 175.30 173.15 3f0j n PRO 167 N 5.03 2.64 0.02 5.12 -0.02 -1.26 -4.33 135.00 142.21 3f0j n PRO 167 Ca -0.13 0.93 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 3f0j n PRO 167 Cb 0.48 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 3f0j n PRO 167 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3f0j n SER 168 N 1.14 0.58 -3.33 2.55 3.41 -1.26 -4.89 113.62 111.82 3f0j n SER 168 Ca 0.04 -0.32 -0.04 0.00 -0.26 0.00 0.00 58.87 58.29 3f0j n SER 168 Cb 0.38 1.05 0.01 0.00 -0.26 0.00 0.00 64.21 65.39 3f0j n SER 168 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f0j s ASN 169 N -3.87 -0.02 0.26 4.04 2.20 -1.26 -5.03 114.94 111.26 3f0j s ASN 169 Ca 0.02 -0.73 -0.02 0.00 -0.94 0.00 0.00 52.86 51.19 3f0j s ASN 169 Cb 0.15 0.57 0.34 0.00 -2.00 0.00 0.00 41.25 40.30 3f0j s ASN 169 CO 0.83 -1.12 1.79 0.58 -2.94 0.00 0.00 177.10 176.24 3f0j h VAL 170 N 2.00 1.24 -0.69 3.54 2.07 -1.99 -1.34 116.25 121.07 3f0j h VAL 170 Ca -0.28 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3f0j h VAL 170 Cb 1.23 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3f0j h VAL 170 CO 0.35 0.33 0.41 0.74 0.02 0.00 0.00 177.57 179.43 3f0j h THR 171 N 0.82 1.02 -0.38 2.57 2.02 -1.99 -0.25 112.91 116.73 3f0j h THR 171 Ca 0.17 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 3f0j h THR 171 Cb 0.36 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3f0j h THR 171 CO 0.01 0.14 -0.31 -0.33 0.37 0.00 0.00 175.52 175.39 3f0j h GLU 172 N 0.77 0.84 -0.43 6.66 5.08 -1.84 0.24 114.58 125.90 3f0j h GLU 172 Ca 0.30 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3f0j h GLU 172 Cb 0.12 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3f0j h GLU 172 CO -0.15 1.03 0.20 0.93 -1.00 0.00 0.00 179.01 180.03 3f0j h GLU 173 N 0.71 0.40 -0.25 2.33 5.08 -0.67 -0.30 114.58 121.87 3f0j h GLU 173 Ca 0.08 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 3f0j h GLU 173 Cb 0.87 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3f0j h GLU 173 CO 0.08 0.26 -0.39 0.93 -1.00 0.00 0.00 179.01 178.89 3f0j h GLU 174 N 0.41 0.58 -0.66 2.33 5.08 -0.82 -1.80 114.58 119.70 3f0j h GLU 174 Ca 0.19 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3f0j h GLU 174 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3f0j h GLU 174 CO -0.14 0.87 0.19 -0.09 -1.00 0.00 0.00 179.01 178.84 3f0j h ARG 175 N 0.48 1.04 -0.00 2.33 2.43 -0.61 -0.43 114.38 119.61 3f0j h ARG 175 Ca 0.04 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3f0j h ARG 175 Cb 0.89 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3f0j h ARG 175 CO 0.08 0.91 0.00 0.35 -1.51 0.00 0.00 179.97 179.80 3f0j h PHE 176 N 0.97 0.01 -0.79 2.20 3.04 -0.89 -0.93 116.94 120.54 3f0j h PHE 176 Ca 0.21 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.18 3f0j h PHE 176 Cb 0.32 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.79 3f0j h PHE 176 CO 0.02 0.13 0.51 0.28 -2.02 0.00 0.00 178.31 177.23 3f0j h VAL 177 N -0.12 1.16 -0.54 1.41 2.07 -1.11 -1.08 116.25 118.04 3f0j h VAL 177 Ca 0.00 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3f0j h VAL 177 Cb 0.12 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 3f0j h VAL 177 CO -0.00 0.19 0.20 -0.61 0.02 0.00 0.00 177.57 177.37 3f0j h GLN 178 N 1.02 0.79 -0.25 1.57 5.75 -0.92 -0.46 115.11 122.61 3f0j h GLN 178 Ca 0.30 -0.12 -0.12 0.00 -0.15 0.00 0.00 58.65 58.56 3f0j h GLN 178 Cb -0.06 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 3f0j h GLN 178 CO -0.09 0.65 -0.35 -0.09 -2.65 0.00 0.00 178.83 176.31 3f0j h ARG 179 N 0.77 0.56 -0.51 1.69 2.43 -0.29 0.43 114.38 119.46 3f0j h ARG 179 Ca 0.18 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3f0j h ARG 179 Cb 0.17 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3f0j h ARG 179 CO -0.02 0.83 0.18 0.28 -1.51 0.00 0.00 179.97 179.73 3f0j h VAL 180 N 0.47 1.22 -0.58 0.20 2.07 -0.64 0.75 116.25 119.75 3f0j h VAL 180 Ca 0.05 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3f0j h VAL 180 Cb 0.83 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3f0j h VAL 180 CO 0.07 0.27 0.29 0.58 0.02 0.00 0.00 177.57 178.80 3f0j h VAL 181 N 0.69 0.91 -0.69 2.57 2.07 -0.72 -0.12 116.25 120.97 3f0j h VAL 181 Ca 0.17 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3f0j h VAL 181 Cb 0.25 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3f0j h VAL 181 CO -0.01 0.10 0.35 0.44 0.02 0.00 0.00 177.57 178.47 3f0j h ASP 182 N 0.54 0.89 -0.37 0.57 3.32 -0.46 0.08 116.42 121.00 3f0j h ASP 182 Ca 0.27 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3f0j h ASP 182 Cb 0.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3f0j h ASP 182 CO -0.20 0.76 0.23 -0.26 -1.72 0.00 0.00 179.24 178.05 3f0j h PHE 183 N 0.96 0.43 -0.44 4.55 -1.00 -0.21 -1.33 116.94 119.89 3f0j h PHE 183 Ca 0.24 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 3f0j h PHE 183 Cb 0.10 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3f0j h PHE 183 CO 0.00 0.26 0.04 -0.07 -1.61 0.00 0.00 178.31 176.93 3f0j h LEU 184 N 0.46 0.65 -0.31 1.54 3.38 -0.64 -0.30 115.31 120.09 3f0j h LEU 184 Ca 0.14 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3f0j h LEU 184 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3f0j h LEU 184 CO -0.05 0.69 -0.02 1.56 0.09 0.00 0.00 178.44 180.71 3f0j h GLN 185 N 0.66 0.56 -0.31 1.13 4.20 -0.62 0.05 115.11 120.79 3f0j h GLN 185 Ca 0.14 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3f0j h GLN 185 Cb 0.35 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3f0j h GLN 185 CO 0.01 0.71 0.16 0.82 -0.67 0.00 0.00 178.83 179.86 3f0j h ILE 186 N 0.35 1.00 -0.31 2.54 2.04 -1.09 -1.99 117.51 120.05 3f0j h ILE 186 Ca 0.09 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3f0j h ILE 186 Cb 0.47 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3f0j h ILE 186 CO 0.02 0.06 0.09 -0.74 0.00 0.00 0.00 178.15 177.58 3f0j h HIS 187 N 0.33 0.51 -0.55 1.37 2.76 -0.89 0.92 115.15 119.60 3f0j h HIS 187 Ca 0.13 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 3f0j h HIS 187 Cb 0.04 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 3f0j h HIS 187 CO -0.09 0.52 0.04 0.00 -1.30 0.00 0.00 177.93 177.10 3f0j h HIS 189 N 0.85 0.21 0.00 0.00 6.17 -1.06 -2.70 115.15 118.62 3f0j h HIS 189 Ca 0.17 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 3f0j h HIS 189 Cb 0.45 -0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.32 3f0j h HIS 189 CO 0.03 0.29 -0.07 1.96 0.71 0.00 0.00 177.93 180.85 3f0j h GLN 190 N 0.07 0.00 0.00 5.26 1.08 -0.55 -0.92 115.11 120.05 3f0j h GLN 190 Ca 0.05 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3f0j h GLN 190 Cb 0.17 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3f0j h GLN 190 CO -0.00 0.07 -0.16 0.66 -0.95 0.00 0.00 178.83 178.45 3f0j h SER 191 N 0.00 0.00 0.12 1.46 4.64 -0.79 -1.95 113.55 117.02 3f0j h SER 191 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3f0j h SER 191 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3f0j h SER 191 CO 0.01 0.16 -0.79 0.40 -0.87 0.00 0.00 176.83 175.74 3f0j h ILE 192 N 0.00 1.34 -0.66 0.95 2.04 -1.08 -3.31 117.51 116.79 3f0j h ILE 192 Ca -0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3f0j h ILE 192 Cb 0.30 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3f0j h ILE 192 CO 0.02 0.65 0.00 1.33 0.00 0.00 0.00 178.15 180.15 3f0j n VAL 193 N -3.86 0.88 -3.25 1.67 0.24 -0.83 -4.89 118.33 108.28 3f0j n VAL 193 Ca -0.06 -0.89 -0.39 0.00 -2.04 0.00 0.00 64.34 60.96 3f0j n VAL 193 Cb 0.75 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 3f0j n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f0j s ALA 194 N -1.12 3.57 0.38 2.33 0.00 -0.80 -5.08 121.76 121.04 3f0j s ALA 194 Ca 0.45 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.53 3f0j s ALA 194 Cb 0.23 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.61 3f0j s ALA 194 CO 0.31 0.37 -0.00 -1.83 0.00 0.00 0.00 175.76 174.60 3f0j s GLU 195 N -1.00 1.88 0.35 0.00 -1.05 -1.26 -5.04 118.70 112.57 3f0j s GLU 195 Ca 0.30 -2.04 -0.29 0.00 -0.15 0.00 0.00 54.97 52.78 3f0j s GLU 195 Cb -0.20 -1.52 -0.11 0.00 -0.44 0.00 0.00 34.13 31.87 3f0j s GLU 195 CO 0.19 -0.04 1.43 -2.14 0.95 0.00 0.00 175.26 175.65 3f0j s PRO 196 N -3.72 4.21 0.56 -4.83 0.02 -1.26 -4.52 135.00 125.46 3f0j s PRO 196 Ca 0.35 2.43 0.08 0.00 0.02 0.00 0.00 61.00 63.87 3f0j s PRO 196 Cb 0.09 -3.02 0.08 0.00 0.02 0.00 0.00 34.50 31.66 3f0j s PRO 196 CO 0.17 -0.41 0.78 -0.51 -0.33 0.00 0.00 177.00 176.70 3f0j s LEU 197 N -1.77 3.20 0.86 -5.54 1.43 0.28 -5.01 118.68 112.13 3f0j s LEU 197 Ca 0.52 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3f0j s LEU 197 Cb -0.44 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 43.99 3f0j s LEU 197 CO 0.57 -1.30 1.09 -0.94 0.23 0.00 0.00 176.35 176.01 3f0j s SER 198 N -4.61 3.75 0.23 2.29 1.04 -1.26 -4.74 113.70 110.40 3f0j s SER 198 Ca 0.61 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 58.58 3f0j s SER 198 Cb -0.07 -2.28 0.23 0.00 0.10 0.00 0.00 66.02 64.00 3f0j s SER 198 CO 0.39 -2.48 1.77 -0.08 0.98 0.00 0.00 173.24 173.82 3f0j h GLU 199 N -1.44 1.05 -0.58 4.02 4.81 -1.99 0.12 114.58 120.57 3f0j h GLU 199 Ca -0.48 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 58.44 3f0j h GLU 199 Cb 1.27 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3f0j h GLU 199 CO 0.53 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.72 3f0j h ALA 200 N 1.20 0.91 -0.28 2.92 0.00 -1.99 -1.28 119.26 120.73 3f0j h ALA 200 Ca 0.22 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3f0j h ALA 200 Cb 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3f0j h ALA 200 CO -0.00 0.65 -0.53 1.96 0.00 0.00 0.00 179.25 181.32 3f0j h GLN 201 N 0.92 0.84 -0.65 0.00 4.20 -1.80 -1.26 115.11 117.35 3f0j h GLN 201 Ca 0.17 -0.52 0.01 0.00 0.06 0.00 0.00 58.65 58.37 3f0j h GLN 201 Cb 0.53 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3f0j h GLN 201 CO 0.03 1.15 0.43 1.15 -0.67 0.00 0.00 178.83 180.92 3f0j h THR 202 N 0.65 1.14 -0.35 -0.54 2.02 -0.61 -1.31 112.91 113.91 3f0j h THR 202 Ca 0.02 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3f0j h THR 202 Cb 1.13 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3f0j h THR 202 CO 0.12 0.16 0.23 0.25 0.37 0.00 0.00 175.52 176.65 3f0j h LEU 203 N 0.86 0.40 -0.42 2.58 5.85 -1.05 -0.06 115.31 123.48 3f0j h LEU 203 Ca 0.25 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3f0j h LEU 203 Cb -0.07 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3f0j h LEU 203 CO -0.07 0.29 0.04 -0.08 -0.34 0.00 0.00 178.44 178.28 3f0j h GLU 204 N 0.48 0.15 -0.39 1.25 4.81 -0.71 -0.91 114.58 119.25 3f0j h GLU 204 Ca 0.13 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3f0j h GLU 204 Cb -0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3f0j h GLU 204 CO -0.03 0.10 -0.15 0.45 -0.73 0.00 0.00 179.01 178.65 3f0j h HIS 205 N 0.15 0.78 -0.54 0.92 3.86 -0.88 -1.90 115.15 117.55 3f0j h HIS 205 Ca 0.20 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3f0j h HIS 205 Cb 0.28 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3f0j h HIS 205 CO -0.24 0.81 0.33 0.00 0.86 0.00 0.00 177.93 179.69 3f0j h ARG 206 N 0.63 0.73 -0.93 2.45 3.08 -0.61 -1.74 114.38 117.99 3f0j h ARG 206 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3f0j h ARG 206 Cb 0.61 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3f0j h ARG 206 CO 0.04 0.52 0.57 1.96 -1.07 0.00 0.00 179.97 181.99 3f0j h GLN 207 N 0.73 1.26 -0.76 0.04 4.20 -0.73 -0.64 115.11 119.21 3f0j h GLN 207 Ca 0.19 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3f0j h GLN 207 Cb -0.03 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.45 3f0j h GLN 207 CO -0.04 0.87 0.28 0.78 -0.67 0.00 0.00 178.83 180.06 3f0j h GLY 208 N 1.28 1.24 1.14 3.46 0.00 -1.01 -0.83 103.07 108.35 3f0j h GLY 208 Ca 0.33 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 3f0j h GLY 208 CO -0.06 0.65 -0.33 -1.61 0.00 0.00 0.00 176.54 175.18 3f0j h GLN 209 N 1.12 0.95 -0.37 4.80 4.15 -0.76 -1.51 115.11 123.48 3f0j h GLN 209 Ca 0.25 -0.47 0.02 0.00 0.77 0.00 0.00 58.65 59.22 3f0j h GLN 209 Cb 0.25 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 3f0j h GLN 209 CO -0.02 1.13 0.20 0.82 -1.93 0.00 0.00 178.83 179.04 3f0j h ILE 210 N 0.79 1.01 -0.67 2.39 2.04 -0.89 -1.33 117.51 120.86 3f0j h ILE 210 Ca 0.08 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3f0j h ILE 210 Cb 0.92 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3f0j h ILE 210 CO 0.09 0.08 0.43 -0.74 0.00 0.00 0.00 178.15 178.00 3f0j h HIS 211 N 0.42 0.86 -0.39 1.37 2.76 -1.01 -0.55 115.15 118.60 3f0j h HIS 211 Ca 0.15 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 3f0j h HIS 211 Cb 0.03 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.66 3f0j h HIS 211 CO -0.09 0.56 0.13 -0.92 -1.30 0.00 0.00 177.93 176.31 3f0j h TYR 212 N 0.91 0.23 -0.69 5.26 3.20 -0.95 -1.03 116.97 123.90 3f0j h TYR 212 Ca 0.24 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3f0j h TYR 212 Cb -0.08 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3f0j h TYR 212 CO -0.02 0.09 0.28 0.00 -1.64 0.00 0.00 178.16 176.86 3f0j h GLN 214 N 0.99 0.89 -0.13 0.00 4.20 -0.74 -2.29 115.11 118.02 3f0j h GLN 214 Ca 0.23 -0.18 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 3f0j h GLN 214 Cb 0.21 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3f0j h GLN 214 CO -0.02 0.79 -0.75 1.96 -0.67 0.00 0.00 178.83 180.14 3f0j h GLN 215 N 0.86 0.66 -0.31 1.46 1.08 -0.96 -2.99 115.11 114.90 3f0j h GLN 215 Ca 0.19 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3f0j h GLN 215 Cb 0.30 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3f0j h GLN 215 CO -0.00 1.15 0.20 1.96 -0.95 0.00 0.00 178.83 181.19 3f0j h GLN 216 N 0.45 0.42 0.00 1.46 1.08 -1.03 -0.40 115.11 117.09 3f0j h GLN 216 Ca -0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3f0j h GLN 216 Cb 1.36 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 3f0j h GLN 216 CO 0.15 0.28 0.00 1.04 -0.95 0.00 0.00 178.83 179.35 3f0j n GLN 217 N -4.48 0.14 0.00 1.46 6.02 -0.88 -2.06 117.38 117.58 3f0j n GLN 217 Ca 0.02 0.43 0.15 0.00 -0.01 0.00 0.00 57.00 57.59 3f0j n GLN 217 Cb 0.07 -1.79 0.85 0.00 1.02 0.00 0.00 30.24 30.39 3f0j n GLN 217 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3f0j n LYS 218 N -2.05 0.69 -2.59 -1.09 5.02 -0.16 -4.79 118.16 113.20 3f0j n LYS 218 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 3f0j n LYS 218 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3f0j n LYS 218 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3f0j s ASN 219 N -2.30 6.29 0.12 4.39 3.04 -0.88 -4.85 114.94 120.75 3f0j s ASN 219 Ca 0.38 -0.24 0.22 0.00 0.04 0.00 0.00 52.86 53.26 3f0j s ASN 219 Cb 0.21 -2.54 0.88 0.00 -1.54 0.00 0.00 41.25 38.26 3f0j s ASN 219 CO 0.42 -1.64 1.68 0.47 -3.04 0.00 0.00 177.10 174.99 3f0j n ASP 220 N 8.81 0.37 -0.07 -4.21 10.43 -1.26 -2.46 116.55 128.15 3f0j n ASP 220 Ca 0.05 0.57 -0.11 0.00 2.57 0.00 0.00 54.79 57.86 3f0j n ASP 220 Cb 0.49 -0.65 -0.05 0.00 1.84 0.00 0.00 41.12 42.75 3f0j n ASP 220 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3f0j h LYS 221 N 0.00 0.39 -0.05 -1.24 1.79 -1.99 -0.46 116.57 115.00 3f0j h LYS 221 Ca 0.00 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3f0j h LYS 221 Cb 0.41 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3f0j h LYS 221 CO 0.00 0.57 -0.00 1.15 -1.08 0.00 0.00 179.45 180.09 3f0j h THR 222 N 0.15 1.26 -0.71 -0.16 2.02 -1.96 -3.18 112.91 110.33 3f0j h THR 222 Ca 0.06 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.47 3f0j h THR 222 Cb 0.40 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3f0j h THR 222 CO 0.01 0.22 0.46 -0.09 0.37 0.00 0.00 175.52 176.49 3f0j h ARG 223 N -0.20 0.89 -0.61 6.66 2.43 -1.34 -1.89 114.38 120.32 3f0j h ARG 223 Ca 0.02 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3f0j h ARG 223 Cb 0.34 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3f0j h ARG 223 CO 0.00 0.59 0.25 -0.09 -1.51 0.00 0.00 179.97 179.21 3f0j h ARG 224 N 0.91 0.90 -0.46 0.20 2.43 -1.15 0.64 114.38 117.86 3f0j h ARG 224 Ca 0.28 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3f0j h ARG 224 Cb -0.03 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3f0j h ARG 224 CO -0.09 0.76 0.28 0.28 -1.51 0.00 0.00 179.97 179.69 3f0j h VAL 225 N 0.84 1.06 -0.62 0.20 2.07 -1.42 -0.59 116.25 117.79 3f0j h VAL 225 Ca 0.20 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3f0j h VAL 225 Cb 0.19 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3f0j h VAL 225 CO -0.02 0.10 0.07 -0.07 0.02 0.00 0.00 177.57 177.68 3f0j h LEU 226 N 0.56 1.00 -0.77 2.57 3.38 -0.97 -3.00 115.31 118.09 3f0j h LEU 226 Ca 0.18 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3f0j h LEU 226 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3f0j h LEU 226 CO -0.07 1.02 -0.21 -0.33 0.09 0.00 0.00 178.44 178.94 3f0j h GLU 227 N 0.94 0.70 0.00 1.13 5.08 -0.50 -0.14 114.58 121.80 3f0j h GLU 227 Ca 0.18 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3f0j h GLU 227 Cb 0.47 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3f0j h GLU 227 CO 0.02 0.86 -0.13 0.87 -1.00 0.00 0.00 179.01 179.63 3f0j h LYS 228 N 0.62 0.00 0.00 2.33 1.57 -0.98 0.54 116.57 120.65 3f0j h LYS 228 Ca 0.09 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.53 3f0j h LYS 228 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 3f0j h LYS 228 CO 0.05 0.13 -2.15 0.00 -0.57 0.00 0.00 179.45 176.91 3f0j n ALA 229 N -2.20 1.52 0.00 3.86 0.00 -1.02 -4.08 120.51 118.59 3f0j n ALA 229 Ca -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.30 3f0j n ALA 229 Cb 0.32 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3f0j n ALA 229 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3f0j n PHE 230 N -2.84 0.00 0.00 0.00 3.01 -0.09 -2.50 117.46 115.03 3f0j n PHE 230 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.19 3f0j n PHE 230 Cb 1.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.58 3f0j n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3f0j n GLY 231 N 0.82 0.20 0.12 1.37 0.00 0.17 -4.42 105.19 103.46 3f0j n GLY 231 Ca 0.00 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 3f0j n GLY 231 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3f0j h GLU 232 N 0.00 0.32 -0.43 1.61 4.81 -1.92 -1.44 114.58 117.53 3f0j h GLU 232 Ca 0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3f0j h GLU 232 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3f0j h GLU 232 CO 0.00 0.35 -0.01 0.00 -0.73 0.00 0.00 179.01 178.63 3f0j h ALA 233 N 0.95 0.58 -0.38 2.92 0.00 -1.99 -0.73 119.26 120.61 3f0j h ALA 233 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3f0j h ALA 233 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3f0j h ALA 233 CO -0.01 0.38 0.20 2.35 0.00 0.00 0.00 179.25 182.17 3f0j h TRP 234 N 0.61 0.53 -0.72 0.00 7.01 -1.75 -1.33 115.95 120.31 3f0j h TRP 234 Ca 0.12 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3f0j h TRP 234 Cb 0.50 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 3f0j h TRP 234 CO 0.04 0.43 0.42 0.00 -2.79 0.00 0.00 178.44 176.53 3f0j h ALA 235 N 1.06 0.92 -0.53 2.65 0.00 -1.00 0.40 119.26 122.76 3f0j h ALA 235 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3f0j h ALA 235 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3f0j h ALA 235 CO -0.02 0.41 0.13 1.49 0.00 0.00 0.00 179.25 181.26 3f0j h GLU 236 N 0.99 0.84 -0.50 0.00 4.57 -0.96 -0.33 114.58 119.19 3f0j h GLU 236 Ca 0.26 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3f0j h GLU 236 Cb -0.00 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 3f0j h GLU 236 CO -0.05 0.80 0.27 -0.09 -1.18 0.00 0.00 179.01 178.76 3f0j h ARG 237 N 0.74 0.71 -0.26 1.92 2.43 -0.89 -1.40 114.38 117.62 3f0j h ARG 237 Ca 0.17 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3f0j h ARG 237 Cb 0.33 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3f0j h ARG 237 CO 0.00 0.56 0.07 -0.92 -1.51 0.00 0.00 179.97 178.18 3f0j h TYR 238 N 0.67 0.44 -0.47 2.20 3.20 -0.70 0.22 116.97 122.52 3f0j h TYR 238 Ca 0.18 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 3f0j h TYR 238 Cb 0.07 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3f0j h TYR 238 CO -0.01 0.49 -0.12 0.52 -1.64 0.00 0.00 178.16 177.39 3f0j h MET 239 N 0.26 0.87 0.00 1.82 2.86 -1.03 0.11 114.93 119.82 3f0j h MET 239 Ca 0.08 -0.31 -0.13 0.00 -2.06 0.00 0.00 59.70 57.28 3f0j h MET 239 Cb 0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3f0j h MET 239 CO -0.00 0.95 -1.29 0.66 1.06 0.00 0.00 176.91 178.29 3f0j h SER 240 N 0.78 0.00 0.00 1.22 4.64 -1.17 -1.35 113.55 117.67 3f0j h SER 240 Ca 0.13 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 3f0j h SER 240 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 3f0j h SER 240 CO 0.04 0.46 -1.58 0.00 -0.87 0.00 0.00 176.83 174.88 3f0j n GLN 241 N -2.86 1.87 -0.13 4.77 1.13 0.75 -3.77 117.38 119.14 3f0j n GLN 241 Ca -0.07 0.02 -0.26 0.00 -1.94 0.00 0.00 57.00 54.75 3f0j n GLN 241 Cb 0.78 -1.21 -0.10 0.00 0.11 0.00 0.00 30.24 29.81 3f0j n GLN 241 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3f0j n VAL 242 N -2.47 1.47 -0.07 5.09 0.31 -0.25 -4.60 118.33 117.81 3f0j n VAL 242 Ca -0.15 -0.43 -0.08 0.00 -0.01 0.00 0.00 64.34 63.67 3f0j n VAL 242 Cb 0.75 -1.72 -0.06 0.00 -0.91 0.00 0.00 33.84 31.89 3f0j n VAL 242 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3f0j h LEU 243 N -0.68 0.00 -5.70 7.52 3.38 -0.97 -3.43 115.31 115.43 3f0j h LEU 243 Ca -0.65 -0.42 -0.53 0.00 0.09 0.00 0.00 57.88 56.37 3f0j h LEU 243 Cb 1.68 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.02 3f0j h LEU 243 CO -0.32 0.82 -0.96 0.49 0.09 0.00 0.00 178.44 178.57 3f0j n PHE 244 N -4.66 1.85 -2.11 1.13 3.01 -0.51 -5.05 117.46 111.13 3f0j n PHE 244 Ca -0.08 -3.90 -0.42 0.00 1.01 0.00 0.00 57.45 54.07 3f0j n PHE 244 Cb 0.28 -0.45 -0.03 0.00 -0.01 0.00 0.00 39.48 39.27 3f0j n PHE 244 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3f0j s ASP 245 N -2.86 6.77 -0.31 4.37 -4.77 -1.25 -4.67 116.67 113.95 3f0j s ASP 245 Ca 0.44 2.46 -0.22 0.00 -3.30 0.00 0.00 52.55 51.93 3f0j s ASP 245 Cb 0.32 -2.60 -0.00 0.00 -1.09 0.00 0.00 42.92 39.54 3f0j s ASP 245 CO -0.11 -0.66 0.71 -0.69 0.70 0.00 0.00 175.17 175.12 3f0j s VAL 246 N 0.64 4.86 -2.32 2.11 1.01 -1.26 -4.95 120.40 120.49 3f0j s VAL 246 Ca 0.62 0.97 0.29 0.00 0.00 0.00 0.00 61.98 63.87 3f0j s VAL 246 Cb -0.39 -4.08 0.68 0.00 0.00 0.00 0.00 36.38 32.59 3f0j s VAL 246 CO 0.35 -0.22 1.92 2.30 0.00 0.00 0.00 175.10 179.45