#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbf n LEU 13 N 0.00 1.91 -4.77 1.20 4.32 -1.26 -4.94 117.00 113.46 3hbf n LEU 13 Ca 0.00 -0.92 -0.41 0.00 -0.02 0.00 0.00 56.01 54.66 3hbf n LEU 13 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3hbf n LEU 13 CO 0.00 0.36 1.15 0.18 -1.22 0.00 0.00 177.39 177.85 3hbf n LEU 14 N 0.44 4.66 -3.73 2.23 4.77 -1.26 -4.72 117.00 119.40 3hbf n LEU 14 Ca 0.07 1.21 -0.24 0.00 -0.03 0.00 0.00 56.01 57.03 3hbf n LEU 14 Cb 0.33 -1.61 -0.17 0.00 -2.33 0.00 0.00 43.42 39.63 3hbf n LEU 14 CO 0.12 0.14 -0.37 -2.28 -1.33 0.00 0.00 177.39 173.67 3hbf s HIS 15 N -0.91 0.57 -0.30 -1.77 2.46 -1.26 -2.34 115.29 111.74 3hbf s HIS 15 Ca 0.55 -0.23 -0.11 0.00 0.47 0.00 0.00 55.06 55.73 3hbf s HIS 15 Cb -0.48 -0.77 -0.04 0.00 -0.13 0.00 0.00 32.58 31.16 3hbf s HIS 15 CO 0.61 -0.38 0.20 0.08 -2.47 0.00 0.00 174.74 172.79 3hbf s VAL 16 N 2.01 5.23 -0.17 0.89 1.01 0.21 -0.22 120.40 129.35 3hbf s VAL 16 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 3hbf s VAL 16 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3hbf s VAL 16 CO -0.06 0.16 0.37 0.00 0.00 0.00 0.00 175.10 175.57 3hbf s ALA 17 N 1.74 3.55 -0.28 5.51 0.00 -0.15 -0.47 121.76 131.66 3hbf s ALA 17 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3hbf s ALA 17 Cb -0.16 -2.55 0.04 0.00 0.00 0.00 0.00 23.12 20.45 3hbf s ALA 17 CO 0.10 -0.11 -0.04 0.08 0.00 0.00 0.00 175.76 175.80 3hbf s VAL 18 N 0.89 2.85 -0.34 0.00 1.01 0.16 -0.47 120.40 124.50 3hbf s VAL 18 Ca 0.19 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 3hbf s VAL 18 Cb -0.14 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3hbf s VAL 18 CO 0.07 0.01 0.25 -0.76 0.00 0.00 0.00 175.10 174.67 3hbf s LEU 19 N 1.26 4.53 0.02 3.92 1.43 0.43 -0.27 118.68 130.00 3hbf s LEU 19 Ca -0.04 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3hbf s LEU 19 Cb -0.19 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3hbf s LEU 19 CO -0.03 -0.25 0.01 0.00 0.23 0.00 0.00 176.35 176.32 3hbf s ALA 20 N 1.75 3.32 -0.20 4.21 0.00 -0.40 -1.66 121.76 128.78 3hbf s ALA 20 Ca 0.07 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.80 3hbf s ALA 20 Cb -0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 3hbf s ALA 20 CO 0.11 0.66 0.86 0.12 0.00 0.00 0.00 175.76 177.51 3hbf s PHE 21 N -1.14 3.38 -1.64 0.00 5.36 -1.26 -4.64 117.98 118.03 3hbf s PHE 21 Ca 0.21 1.25 0.21 0.00 -0.96 0.00 0.00 56.93 57.64 3hbf s PHE 21 Cb -0.12 -3.06 1.14 0.00 -0.34 0.00 0.00 43.02 40.65 3hbf s PHE 21 CO 0.12 -0.32 1.67 -0.35 -1.46 0.00 0.00 175.22 174.88 3hbf n PRO 22 N 5.60 0.44 -4.32 10.12 -0.04 -1.26 -3.13 135.00 142.41 3hbf n PRO 22 Ca 0.06 0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 3hbf n PRO 22 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 3hbf n PRO 22 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hbf s PHE 23 N -2.36 2.68 0.00 0.54 0.08 -1.26 -4.87 117.98 112.78 3hbf s PHE 23 Ca 0.24 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3hbf s PHE 23 Cb 0.14 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 3hbf s PHE 23 CO 0.29 0.39 0.00 0.41 -0.10 0.00 0.00 175.22 176.22 3hbf n GLY 24 N 0.89 -0.20 3.28 4.36 0.00 -1.26 -4.08 105.19 108.18 3hbf n GLY 24 Ca -0.14 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.40 3hbf n GLY 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hbf n THR 25 N 0.00 4.68 0.00 2.61 -1.04 -1.26 -4.57 114.28 114.69 3hbf n THR 25 Ca 0.00 -5.40 0.00 0.00 -2.04 0.00 0.00 64.05 56.61 3hbf n THR 25 Cb 0.00 -2.48 0.00 0.00 -1.82 0.00 0.00 70.33 66.03 3hbf n THR 25 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3hbf n HIS 26 N 2.74 0.00 -0.17 -1.42 -0.00 -1.26 -4.76 115.22 110.36 3hbf n HIS 26 Ca 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.88 3hbf n HIS 26 Cb 0.38 0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 3hbf n HIS 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hbf h ALA 27 N 0.00 0.66 0.27 -1.41 0.00 -1.79 -2.54 119.26 114.45 3hbf h ALA 27 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3hbf h ALA 27 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hbf h ALA 27 CO 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 179.25 179.61 3hbf h ALA 28 N 0.92 -0.36 -0.77 0.00 0.00 -1.90 0.64 119.26 117.79 3hbf h ALA 28 Ca 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hbf h ALA 28 Cb 0.55 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3hbf h ALA 28 CO 0.03 -0.62 0.51 -1.00 0.00 0.00 0.00 179.25 178.18 3hbf h PRO 29 N -0.53 1.01 -0.43 0.00 0.13 -1.86 0.11 132.00 130.43 3hbf h PRO 29 Ca -0.04 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 3hbf h PRO 29 Cb 0.39 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 3hbf h PRO 29 CO 0.06 0.67 0.11 1.25 -0.23 0.00 0.00 178.00 179.85 3hbf h LEU 30 N 1.04 0.66 -0.76 1.56 5.85 -1.33 -1.66 115.31 120.66 3hbf h LEU 30 Ca 0.29 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3hbf h LEU 30 Cb -0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3hbf h LEU 30 CO -0.06 0.72 0.37 0.25 -0.34 0.00 0.00 178.44 179.37 3hbf h LEU 31 N 0.57 0.99 -1.03 2.25 5.85 -0.07 -0.53 115.31 123.33 3hbf h LEU 31 Ca 0.14 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 3hbf h LEU 31 Cb 0.31 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3hbf h LEU 31 CO 0.00 0.84 -0.12 0.28 -0.34 0.00 0.00 178.44 179.10 3hbf h SER 32 N 1.07 0.54 -0.05 1.25 0.02 -0.58 0.23 113.55 116.02 3hbf h SER 32 Ca 0.26 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3hbf h SER 32 Cb 0.11 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3hbf h SER 32 CO -0.03 0.69 0.00 0.25 -1.14 0.00 0.00 176.83 176.60 3hbf h LEU 33 N 0.51 0.09 -0.56 5.07 6.46 -0.86 -2.36 115.31 123.65 3hbf h LEU 33 Ca 0.09 -0.29 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 3hbf h LEU 33 Cb 0.52 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 3hbf h LEU 33 CO 0.03 0.35 0.27 0.58 -0.62 0.00 0.00 178.44 179.05 3hbf h VAL 34 N -0.18 0.91 -0.81 1.05 2.07 -0.61 -2.05 116.25 116.62 3hbf h VAL 34 Ca 0.02 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hbf h VAL 34 Cb 0.31 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3hbf h VAL 34 CO 0.00 0.09 0.54 0.11 0.02 0.00 0.00 177.57 178.33 3hbf h LYS 35 N 0.51 1.07 -0.48 1.57 1.57 -0.50 0.41 116.57 120.71 3hbf h LYS 35 Ca 0.26 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3hbf h LYS 35 Cb 0.21 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3hbf h LYS 35 CO -0.20 0.71 0.23 -0.22 -0.57 0.00 0.00 179.45 179.39 3hbf h LYS 36 N 1.10 0.44 -0.26 3.15 1.63 -0.84 -1.29 116.57 120.50 3hbf h LYS 36 Ca 0.30 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.02 3hbf h LYS 36 Cb -0.13 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 3hbf h LYS 36 CO -0.06 0.29 -0.03 0.82 -3.45 0.00 0.00 179.45 177.02 3hbf h ILE 37 N 0.45 1.27 -0.45 2.00 2.04 -0.77 -3.21 117.51 118.84 3hbf h ILE 37 Ca 0.21 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 65.14 3hbf h ILE 37 Cb 0.14 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3hbf h ILE 37 CO -0.16 0.31 0.15 0.00 0.00 0.00 0.00 178.15 178.45 3hbf h ALA 38 N 0.79 0.53 -0.38 1.87 0.00 0.32 -2.09 119.26 120.31 3hbf h ALA 38 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hbf h ALA 38 Cb 0.47 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hbf h ALA 38 CO 0.02 -0.24 0.13 1.79 0.00 0.00 0.00 179.25 180.95 3hbf h THR 39 N 0.32 1.15 0.00 0.00 1.35 -1.31 -1.82 112.91 112.60 3hbf h THR 39 Ca 0.21 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3hbf h THR 39 Cb 0.21 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3hbf h THR 39 CO -0.22 0.19 0.00 -0.33 -0.25 0.00 0.00 175.52 174.91 3hbf h GLU 40 N 0.54 0.00 -2.06 4.72 3.07 -1.40 -3.34 114.58 116.10 3hbf h GLU 40 Ca 0.13 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.42 3hbf h GLU 40 Cb 0.14 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.65 3hbf h GLU 40 CO -0.01 0.00 -0.94 0.00 -1.40 0.00 0.00 179.01 176.66 3hbf n ALA 41 N -2.01 2.97 0.14 3.43 0.00 -0.69 -4.96 120.51 119.38 3hbf n ALA 41 Ca 0.02 -3.85 0.09 0.00 0.00 0.00 0.00 53.44 49.70 3hbf n ALA 41 Cb 0.35 -0.84 0.47 0.00 0.00 0.00 0.00 19.45 19.44 3hbf n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hbf n PRO 42 N 1.20 0.11 0.01 0.00 -0.04 -1.18 -1.74 135.00 133.37 3hbf n PRO 42 Ca 0.24 0.61 0.11 0.00 -0.04 0.00 0.00 63.50 64.42 3hbf n PRO 42 Cb 0.49 -1.89 0.12 0.00 -0.04 0.00 0.00 33.50 32.18 3hbf n PRO 42 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hbf n LYS 43 N -2.11 0.11 -3.51 0.54 5.02 -1.26 -4.82 118.16 112.13 3hbf n LYS 43 Ca -0.01 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 3hbf n LYS 43 Cb 0.05 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 3hbf n LYS 43 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hbf s VAL 44 N -3.07 5.03 -0.12 -0.18 1.01 -0.71 -4.78 120.40 117.57 3hbf s VAL 44 Ca 0.08 0.70 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 3hbf s VAL 44 Cb 0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3hbf s VAL 44 CO 0.76 0.43 0.39 -0.89 0.00 0.00 0.00 175.10 175.78 3hbf s THR 45 N -1.25 5.21 -0.08 3.92 2.01 -0.99 -4.81 115.64 119.66 3hbf s THR 45 Ca 0.29 0.77 0.03 0.00 0.31 0.00 0.00 61.69 63.09 3hbf s THR 45 Cb -0.15 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 3hbf s THR 45 CO 0.16 0.39 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.95 3hbf s PHE 46 N 0.28 2.65 -0.17 4.92 0.08 0.10 0.64 117.98 126.48 3hbf s PHE 46 Ca 0.22 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.76 3hbf s PHE 46 Cb -0.14 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 3hbf s PHE 46 CO 0.08 -0.08 -0.13 -1.12 -0.10 0.00 0.00 175.22 173.86 3hbf s SER 47 N -0.18 2.99 -0.27 1.36 0.01 0.38 -1.38 113.70 116.62 3hbf s SER 47 Ca -0.01 -0.65 -0.10 0.00 1.31 0.00 0.00 55.95 56.49 3hbf s SER 47 Cb -0.13 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 64.82 3hbf s SER 47 CO 0.03 -0.08 0.16 0.12 0.41 0.00 0.00 173.24 173.89 3hbf s PHE 48 N 1.43 3.22 -0.17 2.43 5.36 0.18 0.38 117.98 130.81 3hbf s PHE 48 Ca 0.03 0.07 -0.02 0.00 -0.96 0.00 0.00 56.93 56.05 3hbf s PHE 48 Cb -0.14 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 3hbf s PHE 48 CO -0.10 -0.13 -0.08 -0.06 -1.46 0.00 0.00 175.22 173.39 3hbf s PHE 49 N 1.56 2.90 0.13 10.12 0.08 0.63 -0.46 117.98 132.95 3hbf s PHE 49 Ca 0.07 -0.73 -0.07 0.00 0.12 0.00 0.00 56.93 56.32 3hbf s PHE 49 Cb -0.15 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3hbf s PHE 49 CO 0.08 -0.33 0.34 0.00 -0.10 0.00 0.00 175.22 175.21 3hbf s THR 51 N -2.56 4.60 0.20 0.00 -4.23 -1.26 0.89 115.64 113.27 3hbf s THR 51 Ca 0.07 1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 61.56 3hbf s THR 51 Cb -0.02 -3.77 0.14 0.00 1.34 0.00 0.00 72.50 70.19 3hbf s THR 51 CO 0.04 -0.85 1.71 0.74 -0.54 0.00 0.00 174.62 175.72 3hbf h THR 52 N 0.48 0.67 0.19 3.99 2.02 -1.91 0.98 112.91 119.33 3hbf h THR 52 Ca -0.46 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 66.65 3hbf h THR 52 Cb 1.19 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3hbf h THR 52 CO 0.62 0.05 -0.34 0.74 0.37 0.00 0.00 175.52 176.96 3hbf h THR 53 N 0.25 0.30 -0.78 3.16 2.02 -1.97 0.92 112.91 116.81 3hbf h THR 53 Ca 0.29 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.43 3hbf h THR 53 Cb 0.41 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3hbf h THR 53 CO -0.37 0.00 0.34 0.74 0.37 0.00 0.00 175.52 176.60 3hbf h THR 54 N -0.61 1.25 -0.54 3.16 2.02 -1.77 -2.16 112.91 114.27 3hbf h THR 54 Ca 0.01 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 3hbf h THR 54 Cb 0.61 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3hbf h THR 54 CO -0.15 0.31 -0.07 0.78 0.37 0.00 0.00 175.52 176.76 3hbf h ASN 55 N 1.11 0.96 -0.83 4.18 2.35 -0.63 -1.40 115.58 121.32 3hbf h ASN 55 Ca 0.26 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3hbf h ASN 55 Cb 0.17 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3hbf h ASN 55 CO -0.03 1.05 0.49 0.44 -1.65 0.00 0.00 177.43 177.73 3hbf h ASP 56 N 0.88 1.01 -0.38 5.81 3.32 -0.52 -1.42 116.42 125.12 3hbf h ASP 56 Ca 0.15 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3hbf h ASP 56 Cb 0.61 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3hbf h ASP 56 CO 0.04 0.79 -0.11 0.74 -1.72 0.00 0.00 179.24 178.98 3hbf h THR 57 N 1.16 1.26 -1.98 0.35 2.02 -1.09 -3.36 112.91 111.27 3hbf h THR 57 Ca 0.30 -1.19 -0.63 0.00 0.77 0.00 0.00 66.41 65.66 3hbf h THR 57 Cb -0.02 1.03 -0.13 0.00 -1.74 0.00 0.00 68.15 67.28 3hbf h THR 57 CO -0.05 0.41 1.05 -0.76 0.37 0.00 0.00 175.52 176.53 3hbf s LEU 58 N -9.06 4.16 -0.20 2.58 1.43 -0.53 -4.93 118.68 112.13 3hbf s LEU 58 Ca -0.10 -1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 51.24 3hbf s LEU 58 Cb 0.14 -2.48 0.15 0.00 0.03 0.00 0.00 46.19 44.02 3hbf s LEU 58 CO 0.83 -1.38 1.12 0.12 0.23 0.00 0.00 176.35 177.27 3hbf s PHE 59 N 4.11 -0.26 -1.24 0.29 5.36 -1.26 -4.84 117.98 120.14 3hbf s PHE 59 Ca 0.36 0.44 -0.08 0.00 -0.96 0.00 0.00 56.93 56.69 3hbf s PHE 59 Cb -0.05 0.46 0.06 0.00 -0.34 0.00 0.00 43.02 43.15 3hbf s PHE 59 CO -0.03 -0.24 0.42 -1.13 -1.46 0.00 0.00 175.22 172.78 3hbf n SER 60 N 0.66 -3.78 -2.05 6.13 3.41 -1.24 -4.97 113.62 111.79 3hbf n SER 60 Ca -0.07 -0.29 -0.01 0.00 -0.26 0.00 0.00 58.87 58.25 3hbf n SER 60 Cb 0.58 -3.14 0.00 0.00 -0.26 0.00 0.00 64.21 61.40 3hbf n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hbf n ARG 61 N -3.59 0.36 -0.07 4.33 0.63 -1.26 -4.70 116.66 112.36 3hbf n ARG 61 Ca -0.04 -0.05 -0.02 0.00 -0.92 0.00 0.00 57.85 56.83 3hbf n ARG 61 Cb 0.55 -0.02 -0.02 0.00 0.45 0.00 0.00 32.46 33.43 3hbf n ARG 61 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3hbf n SER 62 N -3.01 -0.18 -3.90 6.15 3.41 -1.26 0.66 113.62 115.50 3hbf n SER 62 Ca 0.00 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.72 3hbf n SER 62 Cb 0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3hbf n SER 62 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hbf n ASN 63 N -3.28 4.59 -0.11 4.04 3.02 -1.26 -4.83 115.26 117.44 3hbf n ASN 63 Ca 0.00 -2.98 -0.01 0.00 -0.03 0.00 0.00 54.58 51.57 3hbf n ASN 63 Cb 0.04 -1.58 0.01 0.00 -0.61 0.00 0.00 39.78 37.64 3hbf n ASN 63 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3hbf n GLU 64 N 5.20 -0.07 -3.48 3.52 0.00 0.21 -4.48 120.64 121.54 3hbf n GLU 64 Ca 0.45 0.42 -0.14 0.00 0.00 0.00 0.00 57.16 57.90 3hbf n GLU 64 Cb 0.38 -0.63 -0.04 0.00 0.00 0.00 0.00 31.44 31.16 3hbf n GLU 64 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 3hbf s PHE 65 N -5.25 -0.56 -0.10 4.31 -0.71 -1.26 -3.63 117.98 110.78 3hbf s PHE 65 Ca -0.04 0.64 0.02 0.00 -1.04 0.00 0.00 56.93 56.51 3hbf s PHE 65 Cb 0.05 0.49 0.01 0.00 -1.21 0.00 0.00 43.02 42.37 3hbf s PHE 65 CO 0.19 -0.70 -0.15 -0.51 -1.34 0.00 0.00 175.22 172.72 3hbf s LEU 66 N -2.03 1.71 0.56 -1.99 1.43 -1.26 -5.04 118.68 112.06 3hbf s LEU 66 Ca -0.03 -0.41 0.28 0.00 -1.03 0.00 0.00 54.13 52.93 3hbf s LEU 66 Cb -0.01 -1.06 1.47 0.00 0.03 0.00 0.00 46.19 46.62 3hbf s LEU 66 CO -0.03 0.02 1.97 1.55 0.23 0.00 0.00 176.35 180.09 3hbf h PRO 67 N 7.33 0.00 -0.63 1.29 0.13 -1.98 -1.94 132.00 136.19 3hbf h PRO 67 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3hbf h PRO 67 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hbf h PRO 67 CO 0.48 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.52 3hbf n ASN 68 N -4.10 3.59 -4.25 1.44 6.94 -1.26 -4.83 115.26 112.79 3hbf n ASN 68 Ca 0.09 -2.12 -0.35 0.00 -0.02 0.00 0.00 54.58 52.19 3hbf n ASN 68 Cb 0.64 -0.45 -0.14 0.00 -2.36 0.00 0.00 39.78 37.46 3hbf n ASN 68 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hbf s ILE 69 N -1.37 3.03 -0.04 1.53 1.09 -0.73 0.03 121.20 124.73 3hbf s ILE 69 Ca 0.42 -0.71 0.06 0.00 -1.10 0.00 0.00 60.65 59.33 3hbf s ILE 69 Cb 0.24 -2.41 -0.02 0.00 -1.06 0.00 0.00 42.46 39.21 3hbf s ILE 69 CO 0.26 0.38 -0.23 -0.54 -0.10 0.00 0.00 174.94 174.71 3hbf s LYS 70 N 1.41 2.37 -0.06 2.79 1.02 -0.48 -4.76 119.74 122.03 3hbf s LYS 70 Ca 0.04 -0.87 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 3hbf s LYS 70 Cb -0.15 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3hbf s LYS 70 CO -0.05 0.50 0.21 0.71 -0.92 0.00 0.00 175.35 175.80 3hbf s TYR 71 N -0.45 3.60 0.02 3.18 2.02 -1.26 -0.65 117.35 123.81 3hbf s TYR 71 Ca 0.05 0.56 0.03 0.00 -0.37 0.00 0.00 57.07 57.34 3hbf s TYR 71 Cb -0.12 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.46 3hbf s TYR 71 CO 0.01 0.68 -0.08 0.71 -1.57 0.00 0.00 175.55 175.30 3hbf s TYR 72 N -1.15 0.71 -0.26 2.71 2.02 0.40 -4.92 117.35 116.86 3hbf s TYR 72 Ca 0.21 -0.26 -0.14 0.00 -0.37 0.00 0.00 57.07 56.51 3hbf s TYR 72 Cb -0.13 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 3hbf s TYR 72 CO 0.10 -0.02 0.34 -0.80 -1.57 0.00 0.00 175.55 173.60 3hbf s ASN 73 N -0.72 6.26 0.24 2.29 0.01 -1.26 -2.48 114.94 119.29 3hbf s ASN 73 Ca -0.01 0.29 -0.15 0.00 -0.71 0.00 0.00 52.86 52.28 3hbf s ASN 73 Cb -0.05 -2.20 -0.08 0.00 0.41 0.00 0.00 41.25 39.33 3hbf s ASN 73 CO 0.00 -0.13 0.66 0.54 -1.51 0.00 0.00 177.10 176.66 3hbf s VAL 74 N 1.82 4.73 0.33 1.60 0.11 0.26 -4.87 120.40 124.37 3hbf s VAL 74 Ca 0.14 0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 59.84 3hbf s VAL 74 Cb -0.15 -3.71 -0.11 0.00 -1.53 0.00 0.00 36.38 30.89 3hbf s VAL 74 CO 0.09 0.03 1.41 -1.00 -3.33 0.00 0.00 175.10 172.30 3hbf s HIS 75 N -1.72 2.87 -1.86 1.54 3.76 -1.26 -4.35 115.29 114.27 3hbf s HIS 75 Ca 0.47 1.23 0.29 0.00 -0.15 0.00 0.00 55.06 56.89 3hbf s HIS 75 Cb -0.13 -3.84 1.21 0.00 1.11 0.00 0.00 32.58 30.93 3hbf s HIS 75 CO 0.19 -2.47 1.84 -0.40 -0.85 0.00 0.00 174.74 173.05 3hbf n ASP 76 N 1.03 0.68 -0.03 1.40 3.85 -1.26 -4.92 116.55 117.29 3hbf n ASP 76 Ca 0.02 -0.84 -0.00 0.00 -0.71 0.00 0.00 54.79 53.26 3hbf n ASP 76 Cb 0.40 -0.02 -0.00 0.00 -1.35 0.00 0.00 41.12 40.15 3hbf n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hbf n GLY 77 N 1.23 0.37 3.83 6.12 0.00 -1.26 -3.65 105.19 111.82 3hbf n GLY 77 Ca 0.16 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3hbf n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbf s LEU 78 N -0.10 4.46 0.50 0.99 1.43 -1.26 -4.69 118.68 120.01 3hbf s LEU 78 Ca 0.00 0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 53.85 3hbf s LEU 78 Cb 0.00 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.55 3hbf s LEU 78 CO 0.00 0.30 1.07 -2.84 0.23 0.00 0.00 176.35 175.12 3hbf s PRO 79 N -0.95 3.64 0.35 1.29 0.02 -1.26 -4.97 135.00 133.12 3hbf s PRO 79 Ca 0.24 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.43 3hbf s PRO 79 Cb -0.17 -2.07 -0.12 0.00 0.02 0.00 0.00 34.50 32.17 3hbf s PRO 79 CO 0.13 -0.58 1.46 1.63 -0.33 0.00 0.00 177.00 179.31 3hbf n LYS 80 N -1.07 2.52 -3.23 5.54 4.76 -1.26 -2.23 118.16 123.20 3hbf n LYS 80 Ca 0.10 0.89 -0.16 0.00 -2.87 0.00 0.00 58.31 56.27 3hbf n LYS 80 Cb 0.52 -2.59 0.06 0.00 -1.84 0.00 0.00 35.03 31.18 3hbf n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hbf n GLY 81 N 0.90 -0.16 3.79 0.72 0.00 -1.26 -4.98 105.19 104.19 3hbf n GLY 81 Ca 0.04 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3hbf n GLY 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hbf s TYR 82 N -3.25 3.83 0.00 1.61 6.14 -0.95 -5.07 117.35 119.66 3hbf s TYR 82 Ca 0.28 1.40 0.01 0.00 0.64 0.00 0.00 57.07 59.40 3hbf s TYR 82 Cb -0.12 -2.62 -0.01 0.00 0.42 0.00 0.00 41.96 39.63 3hbf s TYR 82 CO 0.54 0.52 -0.04 0.08 0.64 0.00 0.00 175.55 177.29 3hbf s VAL 83 N -0.96 0.32 0.38 3.14 1.01 -1.26 -5.07 120.40 117.95 3hbf s VAL 83 Ca 0.32 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3hbf s VAL 83 Cb -0.21 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 3hbf s VAL 83 CO 0.21 0.03 1.23 -0.94 0.00 0.00 0.00 175.10 175.63 3hbf s SER 84 N -0.26 6.59 0.13 3.32 1.04 -1.26 -4.88 113.70 118.38 3hbf s SER 84 Ca -0.00 2.49 0.00 0.00 0.48 0.00 0.00 55.95 58.92 3hbf s SER 84 Cb -0.02 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3hbf s SER 84 CO -0.00 -0.64 0.00 -1.54 0.98 0.00 0.00 173.24 172.04 3hbf n SER 85 N 0.35 -0.73 0.00 7.02 3.41 -1.26 -5.03 113.62 117.37 3hbf n SER 85 Ca 0.03 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3hbf n SER 85 Cb 0.45 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 3hbf n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbf n GLY 86 N 0.10 -2.00 3.36 5.00 0.00 -1.26 -5.00 105.19 105.39 3hbf n GLY 86 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3hbf n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbf s ASN 87 N -1.88 -0.01 0.00 1.61 0.01 -1.26 -5.02 114.94 108.39 3hbf s ASN 87 Ca 0.00 -0.76 0.17 0.00 -0.71 0.00 0.00 52.86 51.56 3hbf s ASN 87 Cb 0.00 0.45 1.02 0.00 0.41 0.00 0.00 41.25 43.13 3hbf s ASN 87 CO 0.00 -0.91 1.44 -0.81 -1.51 0.00 0.00 177.10 175.31 3hbf n PRO 88 N -0.22 0.61 0.03 -0.60 -0.04 -1.26 -1.77 135.00 131.74 3hbf n PRO 88 Ca -0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.48 3hbf n PRO 88 Cb 0.63 -1.44 0.03 0.00 -0.04 0.00 0.00 33.50 32.69 3hbf n PRO 88 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hbf n ARG 89 N -0.94 0.26 -0.01 0.54 1.74 -1.26 -4.39 116.66 112.60 3hbf n ARG 89 Ca 0.13 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.12 3hbf n ARG 89 Cb 0.06 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 3hbf n ARG 89 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3hbf h GLU 90 N 0.00 -0.25 0.00 5.56 4.81 -1.76 -0.28 114.58 122.65 3hbf h GLU 90 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3hbf h GLU 90 Cb 0.71 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 3hbf h GLU 90 CO 0.00 -0.17 -0.13 -1.00 -0.73 0.00 0.00 179.01 176.98 3hbf h PRO 91 N -0.26 0.00 -0.09 0.92 0.13 -1.79 -0.99 132.00 129.92 3hbf h PRO 91 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3hbf h PRO 91 Cb 0.43 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 3hbf h PRO 91 CO -0.31 0.13 -0.10 0.82 -0.23 0.00 0.00 178.00 178.31 3hbf h ILE 92 N 0.00 1.37 -0.66 -3.56 5.03 -1.54 -0.79 117.51 117.36 3hbf h ILE 92 Ca -0.00 -1.29 0.01 0.00 -0.12 0.00 0.00 64.86 63.46 3hbf h ILE 92 Cb 0.30 2.04 -0.04 0.00 -3.03 0.00 0.00 36.82 36.09 3hbf h ILE 92 CO 0.02 0.36 0.43 -0.26 -0.68 0.00 0.00 178.15 178.02 3hbf h PHE 93 N -0.21 0.81 -0.84 1.37 0.05 -0.64 0.33 116.94 117.81 3hbf h PHE 93 Ca 0.01 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 3hbf h PHE 93 Cb 0.63 -0.27 -0.04 0.00 2.00 0.00 0.00 35.95 38.27 3hbf h PHE 93 CO 0.09 0.50 0.48 -0.07 -0.18 0.00 0.00 178.31 179.13 3hbf h LEU 94 N 0.87 1.04 -0.16 1.54 3.38 -1.13 -1.39 115.31 119.45 3hbf h LEU 94 Ca 0.25 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hbf h LEU 94 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3hbf h LEU 94 CO -0.07 0.83 0.07 0.15 0.09 0.00 0.00 178.44 179.51 3hbf h PHE 95 N 1.17 0.24 -0.43 1.13 3.57 -0.25 -2.87 116.94 119.49 3hbf h PHE 95 Ca 0.30 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3hbf h PHE 95 Cb 0.01 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3hbf h PHE 95 CO 0.00 0.30 0.29 0.82 -2.23 0.00 0.00 178.31 177.49 3hbf h ILE 96 N 0.12 1.04 -0.39 1.41 1.08 -0.57 -2.56 117.51 117.65 3hbf h ILE 96 Ca 0.06 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 64.44 3hbf h ILE 96 Cb 0.15 0.52 -0.09 0.00 -3.07 0.00 0.00 36.82 34.33 3hbf h ILE 96 CO -0.01 0.09 -0.34 0.50 -0.69 0.00 0.00 178.15 177.71 3hbf h LYS 97 N 0.48 -0.25 -0.07 2.37 3.64 -1.03 -3.19 116.57 118.52 3hbf h LYS 97 Ca 0.17 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3hbf h LYS 97 Cb 0.10 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3hbf h LYS 97 CO -0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 179.45 176.97 3hbf n ALA 98 N -3.01 2.44 -0.32 5.00 0.00 -1.20 -4.80 120.51 118.62 3hbf n ALA 98 Ca 0.01 -2.49 -0.01 0.00 0.00 0.00 0.00 53.44 50.95 3hbf n ALA 98 Cb 0.34 -0.45 0.12 0.00 0.00 0.00 0.00 19.45 19.46 3hbf n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hbf h MET 99 N 0.47 1.03 -0.22 0.00 -0.00 -1.44 -0.67 114.93 114.10 3hbf h MET 99 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 3hbf h MET 99 Cb 1.09 -0.23 -0.01 0.00 -0.00 0.00 0.00 31.60 32.45 3hbf h MET 99 CO 0.06 0.68 0.14 0.37 -0.00 0.00 0.00 176.91 178.16 3hbf h GLN 100 N 1.06 0.30 -0.12 -0.10 4.15 -1.87 0.14 115.11 118.67 3hbf h GLN 100 Ca 0.36 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.59 3hbf h GLN 100 Cb 0.06 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3hbf h GLN 100 CO -0.14 0.23 -0.64 0.93 -1.93 0.00 0.00 178.83 177.29 3hbf h GLU 101 N 0.28 0.45 -0.18 1.69 4.39 -1.90 -2.73 114.58 116.58 3hbf h GLU 101 Ca 0.08 -0.32 -0.13 0.00 0.34 0.00 0.00 59.36 59.33 3hbf h GLU 101 Cb 0.01 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3hbf h GLU 101 CO -0.02 0.94 -0.45 -0.91 -1.16 0.00 0.00 179.01 177.42 3hbf h ASN 102 N 0.33 0.48 -0.19 1.42 2.35 -0.90 -1.35 115.58 117.71 3hbf h ASN 102 Ca -0.01 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.39 3hbf h ASN 102 Cb 1.19 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3hbf h ASN 102 CO 0.11 0.86 -0.31 -0.26 -1.65 0.00 0.00 177.43 176.19 3hbf h PHE 103 N 0.36 0.81 -0.66 1.19 0.04 -0.71 -1.92 116.94 116.06 3hbf h PHE 103 Ca 0.03 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 3hbf h PHE 103 Cb 0.93 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 3hbf h PHE 103 CO 0.03 0.92 0.30 0.87 -0.60 0.00 0.00 178.31 179.83 3hbf h LYS 104 N 0.59 0.96 0.72 1.51 1.57 -1.19 -0.41 116.57 120.32 3hbf h LYS 104 Ca 0.07 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3hbf h LYS 104 Cb 0.82 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3hbf h LYS 104 CO 0.07 0.78 -0.41 0.45 -0.57 0.00 0.00 179.45 179.76 3hbf h HIS 105 N 0.92 -1.09 0.00 -1.35 3.86 -0.98 -2.59 115.15 113.92 3hbf h HIS 105 Ca 0.23 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3hbf h HIS 105 Cb 0.14 0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 3hbf h HIS 105 CO 0.01 -0.63 -0.10 -0.24 0.86 0.00 0.00 177.93 177.82 3hbf h VAL 106 N -1.06 0.73 -0.59 2.45 3.04 -1.30 -1.75 116.25 117.78 3hbf h VAL 106 Ca -0.09 -0.40 -0.05 0.00 -1.01 0.00 0.00 66.70 65.15 3hbf h VAL 106 Cb 0.84 1.24 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 3hbf h VAL 106 CO 0.11 0.10 0.18 0.40 -1.01 0.00 0.00 177.57 177.36 3hbf h ILE 107 N 0.00 1.23 -0.56 3.17 2.04 -0.70 -2.14 117.51 120.54 3hbf h ILE 107 Ca -0.00 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.15 3hbf h ILE 107 Cb 0.23 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3hbf h ILE 107 CO 0.01 0.30 0.37 0.44 0.00 0.00 0.00 178.15 179.28 3hbf h ASP 108 N 0.86 0.42 -0.39 1.72 3.45 -0.96 -2.11 116.42 119.41 3hbf h ASP 108 Ca 0.20 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.63 3hbf h ASP 108 Cb 0.25 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 3hbf h ASP 108 CO -0.01 0.27 0.13 -0.33 -1.57 0.00 0.00 179.24 177.73 3hbf h GLU 109 N 0.48 0.59 -0.43 3.56 5.08 -1.44 -0.57 114.58 121.86 3hbf h GLU 109 Ca 0.25 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3hbf h GLU 109 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hbf h GLU 109 CO -0.07 0.59 -0.06 0.00 -1.00 0.00 0.00 179.01 178.47 3hbf h ALA 110 N 0.98 0.58 -0.31 3.43 0.00 -1.42 0.62 119.26 123.14 3hbf h ALA 110 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hbf h ALA 110 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hbf h ALA 110 CO -0.01 0.42 0.08 0.28 0.00 0.00 0.00 179.25 180.02 3hbf h VAL 111 N 0.62 1.22 0.06 0.00 2.07 -1.33 0.20 116.25 119.10 3hbf h VAL 111 Ca 0.11 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3hbf h VAL 111 Cb 0.57 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3hbf h VAL 111 CO 0.03 0.24 -0.11 0.00 0.02 0.00 0.00 177.57 177.75 3hbf h ALA 112 N 0.91 -0.18 0.31 1.67 0.00 -0.99 0.46 119.26 121.43 3hbf h ALA 112 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hbf h ALA 112 Cb 0.29 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hbf h ALA 112 CO 0.00 -0.63 -0.15 1.49 0.00 0.00 0.00 179.25 179.96 3hbf h GLU 113 N -0.23 -0.41 0.00 0.00 4.81 -0.73 -3.12 114.58 114.90 3hbf h GLU 113 Ca 0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hbf h GLU 113 Cb 0.24 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hbf h GLU 113 CO -0.07 -0.27 0.00 1.79 -0.73 0.00 0.00 179.01 179.73 3hbf h THR 114 N -0.42 0.00 0.00 0.32 1.35 -0.91 -3.47 112.91 109.78 3hbf h THR 114 Ca -0.04 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3hbf h THR 114 Cb 0.33 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3hbf h THR 114 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3hbf n GLY 115 N 0.85 0.30 3.25 5.82 0.00 0.16 -4.99 105.19 110.58 3hbf n GLY 115 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3hbf n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbf s LYS 116 N -0.80 1.77 0.49 1.61 1.02 -1.21 -5.02 119.74 117.60 3hbf s LYS 116 Ca 0.00 -0.83 -0.19 0.00 0.02 0.00 0.00 55.97 54.98 3hbf s LYS 116 Cb 0.00 -1.74 -0.08 0.00 -0.52 0.00 0.00 37.83 35.49 3hbf s LYS 116 CO 0.00 0.47 1.00 -0.80 -0.92 0.00 0.00 175.35 175.10 3hbf s ASN 117 N -0.63 6.54 0.15 2.83 0.01 -1.26 -4.50 114.94 118.09 3hbf s ASN 117 Ca 0.09 1.71 -0.31 0.00 -0.71 0.00 0.00 52.86 53.64 3hbf s ASN 117 Cb -0.09 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 3hbf s ASN 117 CO -0.00 -0.64 1.49 -0.63 -1.51 0.00 0.00 177.10 175.80 3hbf s ILE 118 N -2.33 2.89 -0.05 0.60 -1.09 -1.26 -4.14 121.20 115.82 3hbf s ILE 118 Ca 0.62 0.65 0.12 0.00 -2.23 0.00 0.00 60.65 59.82 3hbf s ILE 118 Cb -0.12 -3.42 -0.19 0.00 -1.58 0.00 0.00 42.46 37.16 3hbf s ILE 118 CO 0.24 0.05 0.21 0.35 -1.23 0.00 0.00 174.94 174.57 3hbf n THR 119 N 3.83 0.25 -3.74 2.92 -2.24 0.69 -4.60 114.28 111.39 3hbf n THR 119 Ca 0.12 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 3hbf n THR 119 Cb 0.40 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 3hbf n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hbf s LEU 121 N 0.92 4.77 -0.22 0.00 2.96 0.37 -0.98 118.68 126.51 3hbf s LEU 121 Ca -0.06 -1.42 -0.13 0.00 -0.22 0.00 0.00 54.13 52.29 3hbf s LEU 121 Cb -0.08 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3hbf s LEU 121 CO -0.06 -0.44 0.29 -0.69 -1.32 0.00 0.00 176.35 174.12 3hbf s VAL 122 N 1.37 5.28 0.14 1.68 1.01 0.38 -0.83 120.40 129.43 3hbf s VAL 122 Ca 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 3hbf s VAL 122 Cb -0.21 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3hbf s VAL 122 CO 0.01 0.30 0.06 0.42 0.00 0.00 0.00 175.10 175.90 3hbf s THR 123 N 1.14 0.12 0.34 3.92 -4.23 -0.98 -0.43 115.64 115.52 3hbf s THR 123 Ca 0.14 -1.93 -0.28 0.00 -1.18 0.00 0.00 61.69 58.44 3hbf s THR 123 Cb -0.14 -2.12 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 3hbf s THR 123 CO 0.06 -0.40 1.19 -0.62 -0.54 0.00 0.00 174.62 174.31 3hbf s ASP 124 N -3.07 6.85 0.61 3.99 2.15 -0.67 0.72 116.67 127.26 3hbf s ASP 124 Ca 0.26 2.42 0.31 0.00 0.43 0.00 0.00 52.55 55.98 3hbf s ASP 124 Cb 0.07 -2.63 1.78 0.00 -0.30 0.00 0.00 42.92 41.84 3hbf s ASP 124 CO 0.03 -0.45 2.13 0.00 -0.17 0.00 0.00 175.17 176.71 3hbf h ALA 125 N 3.26 1.62 -0.46 3.66 0.00 -0.76 -0.83 119.26 125.74 3hbf h ALA 125 Ca -0.48 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.49 3hbf h ALA 125 Cb 1.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3hbf h ALA 125 CO 0.65 -0.24 0.31 0.74 0.00 0.00 0.00 179.25 180.71 3hbf h PHE 126 N 0.00 0.35 -0.75 0.00 0.04 -1.90 -3.35 116.94 111.34 3hbf h PHE 126 Ca 0.06 0.01 -0.54 0.00 2.80 0.00 0.00 57.97 60.30 3hbf h PHE 126 Cb 0.41 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.37 3hbf h PHE 126 CO 0.00 0.19 1.69 -0.06 -0.60 0.00 0.00 178.31 179.52 3hbf s PHE 127 N -5.34 2.43 0.38 -0.55 2.99 -0.32 -4.73 117.98 112.85 3hbf s PHE 127 Ca -0.07 -0.74 0.08 0.00 0.00 0.00 0.00 56.93 56.20 3hbf s PHE 127 Cb 0.19 -4.46 0.82 0.00 0.00 0.00 0.00 43.02 39.57 3hbf s PHE 127 CO 0.73 -1.62 1.98 0.11 -0.00 0.00 0.00 175.22 176.42 3hbf h TRP 128 N 8.69 0.65 0.00 0.36 5.08 -1.84 -1.98 115.95 126.93 3hbf h TRP 128 Ca 0.33 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.32 3hbf h TRP 128 Cb 0.91 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 3hbf h TRP 128 CO 1.33 0.35 0.00 1.97 -1.28 0.00 0.00 178.44 180.81 3hbf n PHE 129 N -4.48 0.00 -0.37 0.12 -1.74 -1.26 -3.17 117.46 106.56 3hbf n PHE 129 Ca 0.09 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 57.01 3hbf n PHE 129 Cb 0.23 -0.16 0.17 0.00 1.52 0.00 0.00 39.48 41.24 3hbf n PHE 129 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 3hbf h GLY 130 N 0.78 1.53 0.97 4.97 0.00 -1.75 0.24 103.07 109.79 3hbf h GLY 130 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3hbf h GLY 130 CO 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 176.54 176.72 3hbf h ALA 131 N 1.45 -0.42 -0.53 3.60 0.00 -1.82 0.32 119.26 121.87 3hbf h ALA 131 Ca 0.43 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3hbf h ALA 131 Cb 0.16 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hbf h ALA 131 CO -0.17 -0.74 0.08 -0.44 0.00 0.00 0.00 179.25 177.98 3hbf h ASP 132 N -0.43 0.85 -0.71 0.00 3.32 -1.74 -0.91 116.42 116.81 3hbf h ASP 132 Ca -0.04 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 3hbf h ASP 132 Cb 0.34 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3hbf h ASP 132 CO 0.05 0.90 0.35 0.25 -1.72 0.00 0.00 179.24 179.07 3hbf h LEU 133 N 0.77 0.92 -0.66 1.55 5.85 -0.83 -1.96 115.31 120.96 3hbf h LEU 133 Ca 0.16 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3hbf h LEU 133 Cb 0.42 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3hbf h LEU 133 CO 0.01 0.79 0.18 0.00 -0.34 0.00 0.00 178.44 179.08 3hbf h ALA 134 N 1.17 0.86 0.17 1.25 0.00 -0.11 -2.84 119.26 119.76 3hbf h ALA 134 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hbf h ALA 134 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hbf h ALA 134 CO -0.03 0.56 -0.08 1.49 0.00 0.00 0.00 179.25 181.18 3hbf h GLU 135 N 0.96 -0.22 0.00 0.00 4.81 -0.74 0.82 114.58 120.22 3hbf h GLU 135 Ca 0.21 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3hbf h GLU 135 Cb 0.33 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3hbf h GLU 135 CO -0.00 -0.11 -0.08 1.05 -0.73 0.00 0.00 179.01 179.13 3hbf h GLU 136 N -0.27 0.00 -0.01 1.92 4.11 -1.37 -1.70 114.58 117.27 3hbf h GLU 136 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3hbf h GLU 136 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hbf h GLU 136 CO 0.04 0.08 -0.26 -1.33 0.07 0.00 0.00 179.01 177.61 3hbf n MET 137 N -3.34 0.84 -3.47 1.06 2.81 -1.06 -4.94 117.12 109.02 3hbf n MET 137 Ca -0.01 -0.50 -0.18 0.00 -1.81 0.00 0.00 57.70 55.20 3hbf n MET 137 Cb 0.26 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.35 3hbf n MET 137 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3hbf n HIS 138 N -0.64 -2.16 -4.24 2.03 8.25 -0.62 -4.87 115.22 112.96 3hbf n HIS 138 Ca 0.12 0.87 -0.13 0.00 -0.26 0.00 0.00 57.72 58.32 3hbf n HIS 138 Cb 0.35 -4.64 -0.10 0.00 1.12 0.00 0.00 29.99 26.72 3hbf n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hbf s ALA 139 N -3.45 1.36 0.59 -1.41 0.00 0.19 -4.87 121.76 114.17 3hbf s ALA 139 Ca 0.12 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 3hbf s ALA 139 Cb -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3hbf s ALA 139 CO 0.76 -0.16 0.98 0.15 0.00 0.00 0.00 175.76 177.49 3hbf s LYS 140 N -3.79 3.55 -0.14 0.00 1.02 -0.99 -4.31 119.74 115.09 3hbf s LYS 140 Ca 0.17 0.62 0.01 0.00 0.02 0.00 0.00 55.97 56.78 3hbf s LYS 140 Cb 0.04 -2.14 0.02 0.00 -0.52 0.00 0.00 37.83 35.22 3hbf s LYS 140 CO 0.00 -0.51 -0.15 -0.46 -0.92 0.00 0.00 175.35 173.31 3hbf s TRP 141 N -3.09 2.15 -0.46 3.18 -0.00 -1.26 -0.48 118.94 118.97 3hbf s TRP 141 Ca 0.54 -1.14 0.03 0.00 -0.00 0.00 0.00 56.10 55.52 3hbf s TRP 141 Cb -0.11 -1.56 0.14 0.00 -0.00 0.00 0.00 33.47 31.94 3hbf s TRP 141 CO 0.52 -0.61 0.26 0.08 -0.00 0.00 0.00 176.95 177.20 3hbf s VAL 142 N 1.28 1.59 0.44 5.86 1.01 -0.01 -1.26 120.40 129.31 3hbf s VAL 142 Ca 0.00 -2.73 -0.21 0.00 0.00 0.00 0.00 61.98 59.04 3hbf s VAL 142 Cb -0.14 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 3hbf s VAL 142 CO -0.07 -0.90 1.00 -2.16 0.00 0.00 0.00 175.10 172.97 3hbf s PRO 143 N 0.18 4.06 -0.21 2.72 0.04 -1.24 -2.32 135.00 138.22 3hbf s PRO 143 Ca 0.18 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.52 3hbf s PRO 143 Cb -0.23 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.12 3hbf s PRO 143 CO -0.01 -0.20 -0.15 -1.17 0.04 0.00 0.00 177.00 175.50 3hbf s LEU 144 N -3.18 2.66 -0.32 -3.56 0.20 0.22 -1.27 118.68 113.43 3hbf s LEU 144 Ca 0.63 -0.89 -0.21 0.00 0.69 0.00 0.00 54.13 54.35 3hbf s LEU 144 Cb -0.14 -1.53 -0.00 0.00 -0.43 0.00 0.00 46.19 44.09 3hbf s LEU 144 CO 0.18 -0.07 0.67 0.86 -0.29 0.00 0.00 176.35 177.71 3hbf s TRP 145 N 1.24 3.19 -1.61 5.38 -0.11 -0.27 -0.04 118.94 126.72 3hbf s TRP 145 Ca 0.00 0.58 0.29 0.00 1.22 0.00 0.00 56.10 58.19 3hbf s TRP 145 Cb -0.16 -3.09 1.31 0.00 -1.50 0.00 0.00 33.47 30.03 3hbf s TRP 145 CO -0.09 -0.54 1.91 0.25 -4.62 0.00 0.00 176.95 173.86 3hbf n THR 146 N 5.49 0.00 -2.62 5.86 -2.24 -1.26 -2.32 114.28 117.19 3hbf n THR 146 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hbf n THR 146 Cb 0.49 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3hbf n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hbf n ALA 147 N -1.03 0.00 -1.69 6.98 0.00 -1.26 -4.69 120.51 118.82 3hbf n ALA 147 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 3hbf n ALA 147 Cb 0.26 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.76 3hbf n ALA 147 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hbf s GLY 148 N -1.11 1.66 0.42 0.00 0.00 -1.26 -4.28 107.32 102.75 3hbf s GLY 148 Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 44.72 44.83 3hbf s GLY 148 CO 0.00 0.27 1.93 -0.56 0.00 0.00 0.00 173.10 174.74 3hbf h PRO 149 N -0.63 0.00 -0.31 2.90 0.13 -1.98 -2.77 132.00 129.35 3hbf h PRO 149 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 3hbf h PRO 149 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hbf h PRO 149 CO 0.59 0.25 -0.32 1.12 -0.23 0.00 0.00 178.00 179.42 3hbf h HIS 150 N 0.00 0.91 -0.41 1.56 2.07 -1.93 -2.01 115.15 115.33 3hbf h HIS 150 Ca -0.00 -0.28 -0.09 0.00 -2.85 0.00 0.00 60.37 57.15 3hbf h HIS 150 Cb 0.47 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 3hbf h HIS 150 CO 0.00 1.04 -0.11 0.66 -3.07 0.00 0.00 177.93 176.45 3hbf h SER 151 N 0.52 0.81 -0.16 3.10 4.64 -1.93 -2.36 113.55 118.18 3hbf h SER 151 Ca 0.05 -0.37 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3hbf h SER 151 Cb 0.89 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 3hbf h SER 151 CO 0.08 0.99 -0.12 0.25 -0.87 0.00 0.00 176.83 177.17 3hbf h LEU 152 N 0.63 -0.37 -0.91 5.97 6.46 -1.47 -1.01 115.31 124.60 3hbf h LEU 152 Ca 0.10 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 58.05 3hbf h LEU 152 Cb 0.64 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.69 3hbf h LEU 152 CO 0.04 -0.15 0.54 0.25 -0.62 0.00 0.00 178.44 178.50 3hbf h LEU 153 N -0.12 0.78 -1.03 2.25 6.46 -1.30 0.82 115.31 123.18 3hbf h LEU 153 Ca 0.10 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3hbf h LEU 153 Cb 0.27 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 3hbf h LEU 153 CO -0.24 0.42 0.48 0.74 -0.62 0.00 0.00 178.44 179.23 3hbf h THR 154 N 0.87 1.24 -0.30 1.05 2.02 -0.75 -0.39 112.91 116.66 3hbf h THR 154 Ca 0.45 -0.56 -0.16 0.00 0.77 0.00 0.00 66.41 66.91 3hbf h THR 154 Cb 0.44 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3hbf h THR 154 CO -0.26 0.26 -0.44 0.45 0.37 0.00 0.00 175.52 175.90 3hbf h HIS 155 N 1.17 0.91 -0.56 3.16 3.86 0.32 -2.53 115.15 121.48 3hbf h HIS 155 Ca 0.30 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3hbf h HIS 155 Cb -0.01 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 3hbf h HIS 155 CO 0.01 1.06 0.33 0.28 0.86 0.00 0.00 177.93 180.46 3hbf h VAL 156 N 0.61 1.16 -0.34 2.45 2.07 -0.47 -2.18 116.25 119.55 3hbf h VAL 156 Ca 0.04 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3hbf h VAL 156 Cb 1.00 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3hbf h VAL 156 CO 0.09 0.17 0.00 -1.22 0.02 0.00 0.00 177.57 176.64 3hbf n TYR 157 N -4.41 0.52 -0.12 1.57 0.53 -0.20 -4.54 117.16 110.50 3hbf n TYR 157 Ca 0.05 -0.25 -0.05 0.00 -1.02 0.00 0.00 57.90 56.64 3hbf n TYR 157 Cb 0.08 -0.03 0.02 0.00 -1.03 0.00 0.00 39.34 38.37 3hbf n TYR 157 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 3hbf h THR 158 N 2.02 0.51 -0.24 -0.72 2.02 -0.98 0.16 112.91 115.68 3hbf h THR 158 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3hbf h THR 158 Cb 0.55 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3hbf h THR 158 CO 0.03 0.00 0.14 0.44 0.37 0.00 0.00 175.52 176.50 3hbf h ASP 159 N -0.05 0.23 -0.35 4.18 3.32 -1.84 0.05 116.42 121.97 3hbf h ASP 159 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3hbf h ASP 159 Cb 0.36 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3hbf h ASP 159 CO -0.45 0.17 0.19 0.25 -1.72 0.00 0.00 179.24 177.67 3hbf h LEU 160 N 0.29 0.44 -0.91 1.55 5.85 -1.78 -1.13 115.31 119.63 3hbf h LEU 160 Ca 0.09 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3hbf h LEU 160 Cb -0.00 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3hbf h LEU 160 CO -0.04 0.41 0.58 0.40 -0.34 0.00 0.00 178.44 179.45 3hbf h ILE 161 N 0.44 1.07 -0.71 4.05 2.04 -0.40 -0.95 117.51 123.06 3hbf h ILE 161 Ca 0.12 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3hbf h ILE 161 Cb 0.07 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 3hbf h ILE 161 CO -0.02 0.19 0.19 0.03 0.00 0.00 0.00 178.15 178.55 3hbf h ARG 162 N 1.06 1.11 0.32 2.37 3.08 -0.58 -3.25 114.38 118.48 3hbf h ARG 162 Ca 0.39 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3hbf h ARG 162 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3hbf h ARG 162 CO -0.17 0.96 -0.24 0.93 -1.07 0.00 0.00 179.97 180.39 3hbf h GLU 163 N 1.06 -0.51 -2.23 0.04 5.08 0.08 -2.88 114.58 115.21 3hbf h GLU 163 Ca 0.23 0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 3hbf h GLU 163 Cb 0.34 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3hbf h GLU 163 CO -0.00 -0.34 -0.18 0.36 -1.00 0.00 0.00 179.01 177.85 3hbf n LYS 164 N -3.80 1.52 -3.54 2.33 2.85 -0.86 -4.67 118.16 111.99 3hbf n LYS 164 Ca -0.06 -0.75 -0.12 0.00 -1.05 0.00 0.00 58.31 56.33 3hbf n LYS 164 Cb 0.23 -1.87 -0.11 0.00 -0.65 0.00 0.00 35.03 32.64 3hbf n LYS 164 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3hbf s THR 165 N 1.46 -0.52 0.00 0.58 2.01 -1.09 -4.98 115.64 113.10 3hbf s THR 165 Ca 0.50 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.59 3hbf s THR 165 Cb 0.24 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 72.11 3hbf s THR 165 CO 0.00 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 3hbf n GLY 166 N 5.36 3.72 0.14 4.40 0.00 -1.26 -4.95 105.19 112.60 3hbf n GLY 166 Ca -0.06 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 3hbf n GLY 166 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hbf h SER 167 N 0.00 0.58 -0.62 1.61 0.02 -2.00 -3.01 113.55 110.13 3hbf h SER 167 Ca 0.00 -0.80 0.06 0.00 -0.84 0.00 0.00 61.79 60.21 3hbf h SER 167 Cb 0.00 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 3hbf h SER 167 CO 0.00 1.31 0.32 0.11 -1.14 0.00 0.00 176.83 177.43 3hbf h LYS 168 N -0.08 0.59 -0.08 3.45 1.57 -1.96 -0.55 116.57 119.51 3hbf h LYS 168 Ca -0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3hbf h LYS 168 Cb 1.45 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 3hbf h LYS 168 CO 0.14 0.39 0.04 0.93 -0.57 0.00 0.00 179.45 180.38 3hbf h GLU 169 N 0.60 0.11 0.00 3.15 4.39 -1.76 0.22 114.58 121.29 3hbf h GLU 169 Ca 0.28 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 3hbf h GLU 169 Cb 0.20 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3hbf h GLU 169 CO -0.19 0.15 -0.13 0.28 -1.16 0.00 0.00 179.01 177.96 3hbf h VAL 170 N 0.04 0.73 -0.92 3.13 2.07 -1.32 -2.82 116.25 117.15 3hbf h VAL 170 Ca 0.03 -0.52 -0.52 0.00 0.82 0.00 0.00 66.70 66.50 3hbf h VAL 170 Cb 0.07 1.32 -0.29 0.00 -1.52 0.00 0.00 31.29 30.87 3hbf h VAL 170 CO -0.00 0.13 0.59 1.41 0.02 0.00 0.00 177.57 179.72 3hbf n HIS 171 N -3.85 2.89 -0.67 1.57 8.25 -0.25 -4.85 115.22 118.32 3hbf n HIS 171 Ca -0.02 -2.13 0.00 0.00 -0.26 0.00 0.00 57.72 55.31 3hbf n HIS 171 Cb 0.23 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.33 3hbf n HIS 171 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hbf n ASP 172 N -1.08 -3.64 0.00 0.41 10.43 -1.06 -4.83 116.55 116.78 3hbf n ASP 172 Ca 0.57 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.93 3hbf n ASP 172 Cb 1.34 -2.54 0.00 0.00 1.84 0.00 0.00 41.12 41.76 3hbf n ASP 172 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3hbf n VAL 173 N -1.41 0.00 -3.19 2.53 0.31 0.75 -4.77 118.33 112.55 3hbf n VAL 173 Ca 0.00 1.12 -0.30 0.00 -0.01 0.00 0.00 64.34 65.15 3hbf n VAL 173 Cb 0.30 -2.05 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 3hbf n VAL 173 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hbf s LYS 174 N -1.89 3.75 0.44 5.55 1.02 -1.08 -4.97 119.74 122.55 3hbf s LYS 174 Ca 0.00 0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.31 3hbf s LYS 174 Cb 0.00 -2.55 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 3hbf s LYS 174 CO 0.00 0.15 0.49 0.43 -0.92 0.00 0.00 175.35 175.50 3hbf n SER 175 N -0.83 1.93 -3.89 2.83 7.64 -1.26 -4.36 113.62 115.68 3hbf n SER 175 Ca 0.00 -2.30 -0.13 0.00 1.01 0.00 0.00 58.87 57.45 3hbf n SER 175 Cb 0.54 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.39 3hbf n SER 175 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hbf s ILE 176 N -1.91 0.10 -1.12 0.44 1.09 -0.00 -4.90 121.20 114.90 3hbf s ILE 176 Ca 0.37 -0.05 -0.15 0.00 -1.10 0.00 0.00 60.65 59.72 3hbf s ILE 176 Cb -0.03 -0.10 0.16 0.00 -1.06 0.00 0.00 42.46 41.43 3hbf s ILE 176 CO 0.24 0.03 1.34 -0.62 -0.10 0.00 0.00 174.94 175.82 3hbf s ASP 177 N 0.01 6.94 -0.19 3.58 3.68 -1.26 -1.87 116.67 127.56 3hbf s ASP 177 Ca 0.00 -2.71 -0.04 0.00 2.13 0.00 0.00 52.55 51.93 3hbf s ASP 177 Cb -0.01 -2.40 -0.21 0.00 -1.45 0.00 0.00 42.92 38.85 3hbf s ASP 177 CO -0.00 -0.84 0.07 0.55 0.13 0.00 0.00 175.17 175.08 3hbf n VAL 178 N 4.87 1.64 -5.10 1.11 3.14 -1.26 -4.97 118.33 117.76 3hbf n VAL 178 Ca 0.33 -0.58 -0.32 0.00 -2.96 0.00 0.00 64.34 60.81 3hbf n VAL 178 Cb 0.45 -1.62 -0.16 0.00 -1.06 0.00 0.00 33.84 31.44 3hbf n VAL 178 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3hbf s LEU 179 N -6.88 2.29 0.41 6.55 1.43 -1.26 -5.00 118.68 116.22 3hbf s LEU 179 Ca -0.29 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.08 3hbf s LEU 179 Cb 0.08 -1.46 -0.10 0.00 0.03 0.00 0.00 46.19 44.74 3hbf s LEU 179 CO 0.68 0.20 1.45 -2.16 0.23 0.00 0.00 176.35 176.74 3hbf s PRO 180 N 0.13 3.90 -1.65 1.29 0.04 -1.26 -2.31 135.00 135.14 3hbf s PRO 180 Ca -0.11 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3hbf s PRO 180 Cb -0.16 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3hbf s PRO 180 CO 0.06 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3hbf n GLY 181 N 0.53 0.14 3.28 0.56 0.00 -1.26 -4.60 105.19 103.84 3hbf n GLY 181 Ca 0.03 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 3hbf n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbf s PHE 182 N -2.85 1.61 0.96 1.61 0.40 -0.98 -4.92 117.98 113.81 3hbf s PHE 182 Ca 0.00 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 3hbf s PHE 182 Cb 0.00 -0.84 0.17 0.00 0.51 0.00 0.00 43.02 42.86 3hbf s PHE 182 CO 0.00 0.22 1.09 -2.14 0.70 0.00 0.00 175.22 175.08 3hbf s PRO 183 N -2.54 0.69 0.33 0.24 0.02 -1.26 -4.90 135.00 127.59 3hbf s PRO 183 Ca 0.10 0.82 -0.28 0.00 0.02 0.00 0.00 61.00 61.66 3hbf s PRO 183 Cb -0.06 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 3hbf s PRO 183 CO 0.04 -2.63 1.22 -2.00 -0.33 0.00 0.00 177.00 173.30 3hbf s GLU 184 N -4.84 4.36 -0.06 5.54 2.56 -1.26 -4.87 118.70 120.14 3hbf s GLU 184 Ca 0.65 2.01 -0.05 0.00 0.00 0.00 0.00 54.97 57.59 3hbf s GLU 184 Cb -0.20 -3.01 -0.04 0.00 2.00 0.00 0.00 34.13 32.88 3hbf s GLU 184 CO 0.58 -0.11 0.16 -0.51 -0.56 0.00 0.00 175.26 174.83 3hbf s LEU 185 N -1.87 4.38 -0.06 2.70 1.43 -0.78 -4.82 118.68 119.67 3hbf s LEU 185 Ca 0.50 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 3hbf s LEU 185 Cb -0.35 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3hbf s LEU 185 CO 0.46 0.33 0.19 -0.75 0.23 0.00 0.00 176.35 176.81 3hbf s LYS 186 N -1.54 3.50 0.29 1.70 2.47 -1.26 -0.82 119.74 124.07 3hbf s LYS 186 Ca 0.22 -0.14 -0.01 0.00 -1.56 0.00 0.00 55.97 54.48 3hbf s LYS 186 Cb -0.12 -3.14 0.64 0.00 -1.46 0.00 0.00 37.83 33.74 3hbf s LYS 186 CO 0.12 0.72 1.60 0.00 0.16 0.00 0.00 175.35 177.95 3hbf h ALA 187 N 4.44 1.03 0.00 3.13 0.00 -1.84 1.03 119.26 127.06 3hbf h ALA 187 Ca -0.52 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hbf h ALA 187 Cb 1.21 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3hbf h ALA 187 CO 0.63 -0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.04 3hbf h SER 188 N 0.06 0.00 1.12 0.00 4.64 -1.88 -1.74 113.55 115.75 3hbf h SER 188 Ca 0.53 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.79 3hbf h SER 188 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3hbf h SER 188 CO -0.83 0.00 -0.91 0.44 -0.87 0.00 0.00 176.83 174.66 3hbf h ASP 189 N 0.00 0.00 -4.04 4.97 5.19 0.74 -3.48 116.42 119.80 3hbf h ASP 189 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3hbf h ASP 189 Cb 0.01 0.00 0.10 0.00 0.18 0.00 0.00 39.33 39.62 3hbf h ASP 189 CO 0.00 0.23 0.54 -0.76 -3.12 0.00 0.00 179.24 176.13 3hbf s LEU 190 N -5.74 3.89 0.31 1.55 1.43 -0.66 -3.73 118.68 115.74 3hbf s LEU 190 Ca 0.00 2.53 -0.28 0.00 -1.03 0.00 0.00 54.13 55.35 3hbf s LEU 190 Cb 0.08 -4.30 -0.13 0.00 0.03 0.00 0.00 46.19 41.87 3hbf s LEU 190 CO 0.77 -1.31 1.11 -2.65 0.23 0.00 0.00 176.35 174.50 3hbf n PRO 191 N -0.88 1.63 -1.86 1.29 -0.02 -1.26 -4.81 135.00 129.08 3hbf n PRO 191 Ca 0.10 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 3hbf n PRO 191 Cb 0.47 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 3hbf n PRO 191 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3hbf s GLU 192 N -1.67 4.17 0.00 -0.52 -1.05 -0.96 -2.73 118.70 115.94 3hbf s GLU 192 Ca 0.57 2.49 0.00 0.00 -0.15 0.00 0.00 54.97 57.88 3hbf s GLU 192 Cb -0.65 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.01 3hbf s GLU 192 CO 0.61 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.71 3hbf n GLY 193 N 1.58 2.72 0.10 -3.83 0.00 -0.51 -4.87 105.19 100.38 3hbf n GLY 193 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3hbf n GLY 193 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hbf h VAL 194 N 0.00 1.13 0.00 1.61 2.07 -1.86 -3.39 116.25 115.82 3hbf h VAL 194 Ca 0.00 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3hbf h VAL 194 Cb 0.00 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3hbf h VAL 194 CO 0.00 0.26 -1.05 -0.38 0.02 0.00 0.00 177.57 176.42 3hbf n ILE 195 N -4.91 0.04 -3.93 4.57 2.08 -1.26 -4.84 119.36 111.12 3hbf n ILE 195 Ca -0.08 -0.03 -0.35 0.00 0.56 0.00 0.00 62.75 62.85 3hbf n ILE 195 Cb 0.27 -0.94 -0.09 0.00 -0.75 0.00 0.00 39.64 38.12 3hbf n ILE 195 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3hbf s LYS 196 N -2.02 4.01 -1.15 0.38 3.01 -1.26 -4.64 119.74 118.07 3hbf s LYS 196 Ca -0.00 -0.30 -0.12 0.00 -1.01 0.00 0.00 55.97 54.54 3hbf s LYS 196 Cb 0.00 -3.27 -0.02 0.00 -1.01 0.00 0.00 37.83 33.53 3hbf s LYS 196 CO 0.03 0.31 0.81 -0.25 0.51 0.00 0.00 175.35 176.75 3hbf n ASP 197 N 3.44 -4.70 -0.14 2.83 8.00 -1.26 -1.42 116.55 123.30 3hbf n ASP 197 Ca -0.17 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3hbf n ASP 197 Cb 0.52 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 3hbf n ASP 197 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3hbf n ILE 198 N -3.93 0.00 -0.10 0.53 -5.35 -1.26 -3.47 119.36 105.78 3hbf n ILE 198 Ca -0.14 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 3hbf n ILE 198 Cb 0.62 -0.16 -0.14 0.00 -1.74 0.00 0.00 39.64 38.22 3hbf n ILE 198 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3hbf n ASP 199 N -0.35 0.89 -4.73 7.28 8.00 -1.26 -4.42 116.55 121.96 3hbf n ASP 199 Ca 0.00 -0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.12 3hbf n ASP 199 Cb 0.06 0.64 0.07 0.00 -0.02 0.00 0.00 41.12 41.87 3hbf n ASP 199 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3hbf s VAL 200 N -2.45 2.35 0.40 2.53 -7.23 -1.23 -4.80 120.40 109.98 3hbf s VAL 200 Ca -0.14 0.19 0.14 0.00 -1.81 0.00 0.00 61.98 60.36 3hbf s VAL 200 Cb 0.06 -2.89 0.35 0.00 0.56 0.00 0.00 36.38 34.46 3hbf s VAL 200 CO 0.70 -0.07 1.88 -0.65 -0.31 0.00 0.00 175.10 176.64 3hbf h PRO 201 N 0.17 0.48 -0.25 4.82 0.11 -1.94 -1.75 132.00 133.64 3hbf h PRO 201 Ca -0.49 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3hbf h PRO 201 Cb 1.30 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3hbf h PRO 201 CO 0.52 0.32 0.11 0.35 -0.21 0.00 0.00 178.00 179.09 3hbf h PHE 202 N 0.50 0.20 -0.66 0.65 3.57 -1.95 -0.96 116.94 118.29 3hbf h PHE 202 Ca 0.44 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 3hbf h PHE 202 Cb 0.94 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 3hbf h PHE 202 CO -0.00 0.11 0.34 0.00 -2.23 0.00 0.00 178.31 176.52 3hbf h ALA 203 N 1.14 0.85 -0.34 2.41 0.00 -1.60 -1.99 119.26 119.73 3hbf h ALA 203 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hbf h ALA 203 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hbf h ALA 203 CO -0.08 0.40 0.03 1.15 0.00 0.00 0.00 179.25 180.74 3hbf h THR 204 N 0.91 1.18 -0.11 0.00 2.02 -1.18 -0.50 112.91 115.23 3hbf h THR 204 Ca 0.23 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3hbf h THR 204 Cb 0.09 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3hbf h THR 204 CO -0.03 0.24 -0.01 -0.03 0.37 0.00 0.00 175.52 176.06 3hbf h MET 205 N 0.50 0.21 -0.45 6.66 -1.53 -0.64 -2.33 114.93 117.35 3hbf h MET 205 Ca 0.11 -0.07 -0.09 0.00 -3.44 0.00 0.00 59.70 56.22 3hbf h MET 205 Cb 0.28 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 3hbf h MET 205 CO 0.00 0.47 -0.06 -0.07 0.14 0.00 0.00 176.91 177.40 3hbf h LEU 206 N -0.08 0.82 -0.02 3.39 3.38 -1.15 -0.57 115.31 121.08 3hbf h LEU 206 Ca 0.03 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3hbf h LEU 206 Cb 0.38 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3hbf h LEU 206 CO 0.01 0.97 -0.20 -0.74 0.09 0.00 0.00 178.44 178.56 3hbf h HIS 207 N 0.66 -0.54 -0.19 1.13 2.76 -1.11 0.11 115.15 117.98 3hbf h HIS 207 Ca 0.12 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3hbf h HIS 207 Cb 0.58 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 3hbf h HIS 207 CO 0.04 -0.29 -0.04 0.87 -1.30 0.00 0.00 177.93 177.22 3hbf h LYS 208 N -0.32 0.28 -0.16 5.26 1.57 -1.35 -2.42 116.57 119.43 3hbf h LYS 208 Ca 0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hbf h LYS 208 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3hbf h LYS 208 CO -0.20 0.34 0.09 1.98 -0.57 0.00 0.00 179.45 181.08 3hbf h MET 209 N 0.27 0.23 -0.90 3.15 4.05 0.22 -1.34 114.93 120.60 3hbf h MET 209 Ca 0.06 -0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.57 3hbf h MET 209 Cb 0.25 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 30.94 3hbf h MET 209 CO 0.01 0.24 0.58 0.78 0.23 0.00 0.00 176.91 178.75 3hbf h GLY 210 N 0.16 1.31 1.61 1.39 0.00 -0.34 -1.66 103.07 105.54 3hbf h GLY 210 Ca 0.06 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 46.80 3hbf h GLY 210 CO -0.01 0.17 -1.00 1.41 0.00 0.00 0.00 176.54 177.11 3hbf h LEU 211 N 0.85 0.45 0.00 3.11 3.38 -1.28 -3.36 115.31 118.46 3hbf h LEU 211 Ca 0.43 -0.39 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3hbf h LEU 211 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hbf h LEU 211 CO -0.20 1.22 -1.00 -0.33 0.09 0.00 0.00 178.44 178.22 3hbf h GLU 212 N 0.17 0.00 -0.95 1.13 4.39 -0.76 -3.38 114.58 115.18 3hbf h GLU 212 Ca -0.09 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.84 3hbf h GLU 212 Cb 1.66 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.24 3hbf h GLU 212 CO 0.17 0.49 0.63 -0.07 -1.16 0.00 0.00 179.01 179.06 3hbf h LEU 213 N 0.00 0.37 -2.61 1.33 3.38 -1.47 -0.53 115.31 115.78 3hbf h LEU 213 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hbf h LEU 213 Cb 1.56 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3hbf h LEU 213 CO 0.07 0.13 0.08 -0.65 0.09 0.00 0.00 178.44 178.15 3hbf h PRO 214 N 0.36 0.00 0.00 1.13 0.11 -1.79 -0.69 132.00 131.13 3hbf h PRO 214 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3hbf h PRO 214 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3hbf h PRO 214 CO -0.19 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 178.00 3hbf n ARG 215 N -2.95 0.22 -1.69 1.05 1.74 -0.21 -4.31 116.66 110.52 3hbf n ARG 215 Ca -0.03 0.15 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 3hbf n ARG 215 Cb 0.14 -1.72 0.06 0.00 -1.02 0.00 0.00 32.46 29.92 3hbf n ARG 215 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hbf s ALA 216 N -3.09 2.34 0.39 7.54 0.00 -0.27 -4.90 121.76 123.77 3hbf s ALA 216 Ca 0.10 0.76 0.10 0.00 0.00 0.00 0.00 51.96 52.93 3hbf s ALA 216 Cb 0.14 -3.40 0.78 0.00 0.00 0.00 0.00 23.12 20.64 3hbf s ALA 216 CO 0.62 -1.48 1.90 -0.91 0.00 0.00 0.00 175.76 175.88 3hbf h ASN 217 N 0.08 0.16 -3.04 0.00 2.35 -1.51 -3.41 115.58 110.21 3hbf h ASN 217 Ca -0.48 -0.04 0.15 0.00 -0.55 0.00 0.00 56.30 55.38 3hbf h ASN 217 Cb 1.27 -0.04 -0.28 0.00 0.05 0.00 0.00 38.32 39.32 3hbf h ASN 217 CO 0.53 0.37 0.73 0.00 -1.65 0.00 0.00 177.43 177.41 3hbf s ALA 218 N -4.59 -2.08 -0.27 -0.83 0.00 -1.24 -4.33 121.76 108.41 3hbf s ALA 218 Ca -0.05 1.76 -0.07 0.00 0.00 0.00 0.00 51.96 53.60 3hbf s ALA 218 Cb 0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3hbf s ALA 218 CO 0.73 -0.21 0.07 0.08 0.00 0.00 0.00 175.76 176.43 3hbf s VAL 219 N -0.42 4.10 0.19 0.00 1.01 0.13 -3.63 120.40 121.77 3hbf s VAL 219 Ca 0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 3hbf s VAL 219 Cb -0.03 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 3hbf s VAL 219 CO -0.08 0.23 0.48 0.00 0.00 0.00 0.00 175.10 175.72 3hbf s ALA 220 N 1.56 3.66 -0.04 5.51 0.00 -0.40 0.17 121.76 132.23 3hbf s ALA 220 Ca 0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 3hbf s ALA 220 Cb -0.16 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.67 3hbf s ALA 220 CO 0.03 0.58 0.21 -1.50 0.00 0.00 0.00 175.76 175.07 3hbf s ILE 221 N -1.75 0.04 -1.33 0.00 2.07 0.01 -1.12 121.20 119.14 3hbf s ILE 221 Ca 0.45 -0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 59.18 3hbf s ILE 221 Cb -0.12 -0.42 0.09 0.00 0.13 0.00 0.00 42.46 42.14 3hbf s ILE 221 CO 0.23 -0.20 1.85 -3.20 -1.91 0.00 0.00 174.94 171.71 3hbf n ASN 222 N 2.05 4.70 -2.79 4.50 5.15 -0.98 -1.25 115.26 126.64 3hbf n ASN 222 Ca -0.18 -2.93 -0.10 0.00 -0.60 0.00 0.00 54.58 50.76 3hbf n ASN 222 Cb 0.57 -1.65 0.01 0.00 -0.53 0.00 0.00 39.78 38.18 3hbf n ASN 222 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3hbf n SER 223 N 6.58 -2.02 -3.95 1.20 2.88 -1.26 -4.72 113.62 112.33 3hbf n SER 223 Ca 0.46 -2.63 -0.15 0.00 -1.33 0.00 0.00 58.87 55.22 3hbf n SER 223 Cb 0.42 3.43 -0.14 0.00 -0.75 0.00 0.00 64.21 67.17 3hbf n SER 223 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3hbf s PHE 224 N -2.51 0.40 0.30 0.66 -0.12 -1.26 -0.44 117.98 115.02 3hbf s PHE 224 Ca 0.19 -0.08 0.05 0.00 -0.05 0.00 0.00 56.93 57.03 3hbf s PHE 224 Cb -0.04 -0.26 0.78 0.00 -0.63 0.00 0.00 43.02 42.87 3hbf s PHE 224 CO 0.14 -0.01 1.66 0.00 -0.05 0.00 0.00 175.22 176.96 3hbf h ALA 225 N 6.01 1.43 0.00 1.99 0.00 -1.92 -2.30 119.26 124.48 3hbf h ALA 225 Ca -0.27 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hbf h ALA 225 Cb 1.19 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3hbf h ALA 225 CO 0.50 -0.46 0.00 0.25 0.00 0.00 0.00 179.25 179.54 3hbf n THR 226 N -5.15 0.01 0.25 0.00 -2.24 -1.26 -3.42 114.28 102.47 3hbf n THR 226 Ca 0.23 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 3hbf n THR 226 Cb 0.73 -0.51 0.68 0.00 -2.10 0.00 0.00 70.33 69.13 3hbf n THR 226 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3hbf h ILE 227 N 0.00 0.91 -0.42 2.28 2.10 -1.81 -3.38 117.51 117.19 3hbf h ILE 227 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.97 3hbf h ILE 227 Cb 0.15 0.98 -0.17 0.00 -1.09 0.00 0.00 36.82 36.69 3hbf h ILE 227 CO 0.00 0.00 -0.21 -2.28 -1.08 0.00 0.00 178.15 174.58 3hbf s HIS 228 N -5.00 -0.70 0.28 2.19 5.04 -1.23 -5.05 115.29 110.82 3hbf s HIS 228 Ca -0.05 -0.05 0.00 0.00 -1.54 0.00 0.00 55.06 53.42 3hbf s HIS 228 Cb 0.17 0.13 0.66 0.00 0.04 0.00 0.00 32.58 33.58 3hbf s HIS 228 CO 0.66 -0.51 1.64 -1.35 -2.34 0.00 0.00 174.74 172.84 3hbf h PRO 229 N 5.18 0.18 -0.04 2.88 0.11 -1.74 -0.42 132.00 138.15 3hbf h PRO 229 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hbf h PRO 229 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hbf h PRO 229 CO -0.05 0.12 0.02 -0.07 -0.21 0.00 0.00 178.00 177.81 3hbf h LEU 230 N 0.19 0.06 -0.22 2.35 3.38 -1.93 0.47 115.31 119.60 3hbf h LEU 230 Ca 0.53 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 3hbf h LEU 230 Cb 1.03 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3hbf h LEU 230 CO -0.66 0.18 0.07 0.40 0.09 0.00 0.00 178.44 178.53 3hbf h ILE 231 N -0.07 1.18 -0.90 1.22 1.08 -1.70 -1.21 117.51 117.12 3hbf h ILE 231 Ca 0.02 -0.58 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 3hbf h ILE 231 Cb 0.14 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 3hbf h ILE 231 CO -0.00 0.19 0.59 -0.33 -0.69 0.00 0.00 178.15 177.90 3hbf h GLU 232 N 0.19 1.12 -0.26 2.37 4.39 -1.00 0.11 114.58 121.50 3hbf h GLU 232 Ca 0.07 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 3hbf h GLU 232 Cb 0.22 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3hbf h GLU 232 CO -0.00 0.74 -0.42 -0.91 -1.16 0.00 0.00 179.01 177.26 3hbf h ASN 233 N 1.15 0.81 -0.51 1.42 2.35 -0.80 -0.74 115.58 119.27 3hbf h ASN 233 Ca 0.35 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3hbf h ASN 233 Cb -0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3hbf h ASN 233 CO -0.11 1.18 0.32 -0.33 -1.65 0.00 0.00 177.43 176.84 3hbf h GLU 234 N 0.47 0.67 -0.34 0.81 4.39 -0.89 -2.58 114.58 117.12 3hbf h GLU 234 Ca 0.02 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3hbf h GLU 234 Cb 1.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 3hbf h GLU 234 CO 0.10 0.47 0.14 1.25 -1.16 0.00 0.00 179.01 179.80 3hbf h LEU 235 N 0.68 0.46 -1.49 1.33 6.46 -0.70 -2.92 115.31 119.13 3hbf h LEU 235 Ca 0.18 -0.16 0.15 0.00 -0.12 0.00 0.00 57.88 57.94 3hbf h LEU 235 Cb -0.05 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 39.70 3hbf h LEU 235 CO -0.04 0.49 0.53 -1.13 -0.62 0.00 0.00 178.44 177.67 3hbf h ASN 236 N 0.40 0.47 0.00 1.25 -1.24 -0.85 -1.74 115.58 113.87 3hbf h ASN 236 Ca 0.11 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3hbf h ASN 236 Cb 0.17 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.15 3hbf h ASN 236 CO -0.01 0.24 0.00 -1.54 -1.29 0.00 0.00 177.43 174.83 3hbf n SER 237 N -4.50 0.00 -0.01 1.15 3.41 -1.00 -3.11 113.62 109.56 3hbf n SER 237 Ca 0.15 -1.32 0.10 0.00 -0.26 0.00 0.00 58.87 57.54 3hbf n SER 237 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 3hbf n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hbf n LYS 238 N -0.78 0.61 -4.46 4.33 4.76 -0.65 -5.01 118.16 116.96 3hbf n LYS 238 Ca 0.12 -0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 55.17 3hbf n LYS 238 Cb 0.06 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 31.69 3hbf n LYS 238 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3hbf s PHE 239 N -3.25 2.42 0.27 2.13 2.99 -1.18 -4.49 117.98 116.86 3hbf s PHE 239 Ca -0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 56.93 56.47 3hbf s PHE 239 Cb 0.13 -1.28 0.38 0.00 0.00 0.00 0.00 43.02 42.25 3hbf s PHE 239 CO 0.82 0.61 1.76 0.87 -0.00 0.00 0.00 175.22 179.27 3hbf h LYS 240 N 2.04 0.68 -2.24 0.44 1.57 -1.79 -3.43 116.57 113.84 3hbf h LYS 240 Ca -0.42 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.12 3hbf h LYS 240 Cb 1.25 -0.07 -0.22 0.00 0.08 0.00 0.00 32.23 33.27 3hbf h LYS 240 CO 0.66 0.75 -0.04 -0.51 -0.57 0.00 0.00 179.45 179.74 3hbf s LEU 241 N -9.02 -0.51 -0.24 2.94 1.43 -1.26 -5.01 118.68 107.01 3hbf s LEU 241 Ca -0.09 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3hbf s LEU 241 Cb 0.14 2.07 0.02 0.00 0.03 0.00 0.00 46.19 48.45 3hbf s LEU 241 CO 0.80 -0.22 -0.08 -0.22 0.23 0.00 0.00 176.35 176.86 3hbf s LEU 242 N 0.97 3.01 -0.32 1.79 2.96 -1.26 0.20 118.68 126.03 3hbf s LEU 242 Ca -0.05 -0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 53.02 3hbf s LEU 242 Cb -0.05 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 45.03 3hbf s LEU 242 CO -0.09 -0.10 0.07 -0.76 -1.32 0.00 0.00 176.35 174.15 3hbf s LEU 243 N 1.34 4.13 -0.68 -0.68 1.43 0.13 -4.95 118.68 119.39 3hbf s LEU 243 Ca 0.01 -1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 51.73 3hbf s LEU 243 Cb -0.16 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.28 3hbf s LEU 243 CO -0.05 -0.29 1.13 0.20 0.23 0.00 0.00 176.35 177.57 3hbf s ASN 244 N 1.37 6.21 -0.25 2.29 0.01 -1.26 -0.80 114.94 122.50 3hbf s ASN 244 Ca -0.02 -0.56 0.13 0.00 -0.71 0.00 0.00 52.86 51.70 3hbf s ASN 244 Cb -0.19 -2.50 0.59 0.00 0.41 0.00 0.00 41.25 39.55 3hbf s ASN 244 CO 0.02 -1.61 1.54 1.33 -1.51 0.00 0.00 177.10 176.87 3hbf n VAL 245 N 6.24 2.54 -3.91 1.60 0.24 -0.38 -4.26 118.33 120.40 3hbf n VAL 245 Ca 0.01 -2.04 -0.08 0.00 -2.04 0.00 0.00 64.34 60.19 3hbf n VAL 245 Cb 0.48 -0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 32.53 3hbf n VAL 245 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hbf n GLY 246 N -0.58 3.53 3.74 7.63 0.00 0.42 -4.48 105.19 115.45 3hbf n GLY 246 Ca 0.30 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3hbf n GLY 246 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbf s PRO 247 N -2.52 4.52 0.41 1.61 0.04 -1.26 -4.30 135.00 133.49 3hbf s PRO 247 Ca 0.04 1.84 0.15 0.00 0.04 0.00 0.00 61.00 63.06 3hbf s PRO 247 Cb -0.00 -3.24 1.00 0.00 0.04 0.00 0.00 34.50 32.30 3hbf s PRO 247 CO 0.02 -0.04 1.89 0.74 0.04 0.00 0.00 177.00 179.65 3hbf h PHE 248 N 5.14 0.58 0.00 0.56 0.04 -1.89 0.23 116.94 121.60 3hbf h PHE 248 Ca -0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3hbf h PHE 248 Cb 1.21 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.18 3hbf h PHE 248 CO 0.62 0.20 0.00 0.27 -0.60 0.00 0.00 178.31 178.80 3hbf n ASN 249 N -4.51 0.00 -0.03 2.17 2.04 -1.26 -0.66 115.26 113.01 3hbf n ASN 249 Ca 0.16 0.43 -0.05 0.00 -0.44 0.00 0.00 54.58 54.68 3hbf n ASN 249 Cb 0.56 -0.43 -0.02 0.00 -2.53 0.00 0.00 39.78 37.35 3hbf n ASN 249 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3hbf n LEU 250 N -1.43 2.24 0.13 -4.53 4.77 0.68 -4.50 117.00 114.35 3hbf n LEU 250 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 3hbf n LEU 250 Cb 0.02 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3hbf n LEU 250 CO 0.02 0.46 0.43 0.71 -1.33 0.00 0.00 177.39 177.67 3hbf h THR 251 N -0.06 0.99 -2.00 -5.08 1.35 -0.94 -3.38 112.91 103.79 3hbf h THR 251 Ca -0.13 -2.40 -0.51 0.00 -0.55 0.00 0.00 66.41 62.82 3hbf h THR 251 Cb 1.18 2.49 -0.40 0.00 -1.73 0.00 0.00 68.15 69.68 3hbf h THR 251 CO -0.04 0.56 -1.16 0.35 -0.25 0.00 0.00 175.52 174.98 3hbf n THR 252 N -3.25 -0.29 -1.86 6.82 -2.24 0.16 -5.04 114.28 108.58 3hbf n THR 252 Ca 0.02 -4.41 -0.31 0.00 -2.27 0.00 0.00 64.05 57.07 3hbf n THR 252 Cb 0.76 -0.85 0.02 0.00 -2.10 0.00 0.00 70.33 68.16 3hbf n THR 252 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3hbf s PRO 253 N -2.03 3.35 -0.08 -0.78 0.04 -1.22 -4.72 135.00 129.57 3hbf s PRO 253 Ca 0.38 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.38 3hbf s PRO 253 Cb 0.29 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 3hbf s PRO 253 CO -0.09 -0.77 -0.16 -0.65 0.04 0.00 0.00 177.00 175.37 3hbf s GLN 254 N -4.78 2.81 0.50 4.56 1.11 -1.26 -4.97 119.66 117.63 3hbf s GLN 254 Ca 0.58 -0.73 0.34 0.00 0.01 0.00 0.00 55.36 55.56 3hbf s GLN 254 Cb -0.13 -2.42 1.73 0.00 -1.01 0.00 0.00 33.01 31.18 3hbf s GLN 254 CO 0.48 0.44 2.03 0.00 0.01 0.00 0.00 175.29 178.25 3hbf h ARG 255 N 5.94 0.00 -5.68 2.91 3.08 -1.98 -3.42 114.38 115.24 3hbf h ARG 255 Ca -0.37 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.12 3hbf h ARG 255 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3hbf h ARG 255 CO 0.51 0.00 1.56 1.17 -1.07 0.00 0.00 179.97 182.15 3hbf n LYS 256 N -2.75 0.94 -3.59 0.04 0.00 -1.26 -4.89 118.16 106.65 3hbf n LYS 256 Ca -0.01 0.16 -0.29 0.00 0.00 0.00 0.00 58.31 58.16 3hbf n LYS 256 Cb 0.12 -2.67 -0.13 0.00 0.00 0.00 0.00 35.03 32.34 3hbf n LYS 256 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3hbf s VAL 257 N 9.33 0.52 -0.17 3.15 1.01 -1.26 -5.01 120.40 127.98 3hbf s VAL 257 Ca 1.10 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3hbf s VAL 257 Cb -0.67 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3hbf s VAL 257 CO 0.40 -0.85 0.07 -0.55 0.00 0.00 0.00 175.10 174.17 3hbf s SER 258 N 1.25 5.72 -0.36 3.32 0.15 -1.26 -5.01 113.70 117.50 3hbf s SER 258 Ca 0.14 0.13 0.14 0.00 0.70 0.00 0.00 55.95 57.07 3hbf s SER 258 Cb -0.21 -1.95 0.41 0.00 -1.71 0.00 0.00 66.02 62.57 3hbf s SER 258 CO -0.13 0.21 1.01 -0.67 1.20 0.00 0.00 173.24 174.87 3hbf n ASP 259 N 3.28 0.31 -0.34 5.45 2.03 -1.26 -4.16 116.55 121.86 3hbf n ASP 259 Ca -0.17 -2.79 0.25 0.00 0.52 0.00 0.00 54.79 52.60 3hbf n ASP 259 Cb 0.53 -0.02 0.53 0.00 -0.72 0.00 0.00 41.12 41.43 3hbf n ASP 259 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3hbf h GLU 260 N 2.79 0.34 -0.04 -0.67 5.08 -1.95 -0.35 114.58 119.78 3hbf h GLU 260 Ca -0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hbf h GLU 260 Cb 1.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hbf h GLU 260 CO 0.35 0.22 0.00 0.72 -1.00 0.00 0.00 179.01 179.30 3hbf n HIS 261 N -4.66 0.04 -3.19 4.33 8.25 -1.26 -4.95 115.22 113.77 3hbf n HIS 261 Ca 0.27 -0.02 -0.16 0.00 -0.26 0.00 0.00 57.72 57.56 3hbf n HIS 261 Cb 0.96 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.12 3hbf n HIS 261 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hbf n GLY 262 N 1.12 -0.04 0.21 -1.41 0.00 -0.14 -4.94 105.19 99.99 3hbf n GLY 262 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3hbf n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbf h LEU 264 N 0.56 0.43 -1.25 0.00 3.38 -1.92 0.16 115.31 116.66 3hbf h LEU 264 Ca 0.14 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3hbf h LEU 264 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3hbf h LEU 264 CO -0.01 0.64 0.05 -0.33 0.09 0.00 0.00 178.44 178.88 3hbf h GLU 265 N 0.21 0.56 -0.45 1.13 5.08 -1.96 -0.55 114.58 118.59 3hbf h GLU 265 Ca 0.07 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3hbf h GLU 265 Cb 0.42 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3hbf h GLU 265 CO 0.01 0.55 0.08 2.35 -1.00 0.00 0.00 179.01 181.00 3hbf h TRP 266 N 0.54 0.79 0.00 4.33 7.01 -0.71 -2.45 115.95 125.47 3hbf h TRP 266 Ca 0.12 -0.11 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 3hbf h TRP 266 Cb 0.28 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 3hbf h TRP 266 CO 0.01 0.75 -0.25 -0.07 -2.79 0.00 0.00 178.44 176.09 3hbf h LEU 267 N 0.61 0.00 -1.84 0.65 3.38 -0.02 -2.31 115.31 115.78 3hbf h LEU 267 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hbf h LEU 267 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hbf h LEU 267 CO 0.01 0.25 -0.14 0.44 0.09 0.00 0.00 178.44 179.09 3hbf h ASP 268 N 0.00 0.00 -0.17 -0.43 3.32 -0.62 -1.88 116.42 116.64 3hbf h ASP 268 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hbf h ASP 268 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3hbf h ASP 268 CO 0.03 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.69 3hbf n GLN 269 N -3.88 1.50 -4.43 3.56 10.64 -0.87 -4.84 117.38 119.05 3hbf n GLN 269 Ca -0.02 -0.66 -0.25 0.00 -1.83 0.00 0.00 57.00 54.24 3hbf n GLN 269 Cb 0.24 -1.23 -0.11 0.00 -0.86 0.00 0.00 30.24 28.28 3hbf n GLN 269 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 3hbf s HIS 270 N -1.71 2.24 0.96 2.61 3.76 -0.71 -5.13 115.29 117.32 3hbf s HIS 270 Ca 0.12 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.53 3hbf s HIS 270 Cb 0.07 -1.06 0.17 0.00 1.11 0.00 0.00 32.58 32.86 3hbf s HIS 270 CO 0.07 0.56 1.17 -1.83 -0.85 0.00 0.00 174.74 173.86 3hbf s GLU 271 N -2.99 0.75 0.30 1.40 -1.05 -1.26 -4.81 118.70 111.03 3hbf s GLU 271 Ca 0.24 0.09 -0.29 0.00 -0.15 0.00 0.00 54.97 54.85 3hbf s GLU 271 Cb -0.07 -1.81 -0.10 0.00 -0.44 0.00 0.00 34.13 31.71 3hbf s GLU 271 CO 0.11 -2.42 1.42 -0.80 0.95 0.00 0.00 175.26 174.51 3hbf s ASN 272 N -4.21 6.62 -1.59 0.83 0.02 -1.26 -3.40 114.94 111.95 3hbf s ASN 272 Ca 0.67 2.75 -0.14 0.00 -1.02 0.00 0.00 52.86 55.12 3hbf s ASN 272 Cb -0.12 -2.64 0.11 0.00 0.02 0.00 0.00 41.25 38.62 3hbf s ASN 272 CO 0.53 -0.69 0.82 -1.20 0.02 0.00 0.00 177.10 176.58 3hbf n SER 273 N 1.57 -3.43 -0.03 -1.22 7.64 -0.47 -4.86 113.62 112.82 3hbf n SER 273 Ca 0.04 -0.92 -0.00 0.00 1.01 0.00 0.00 58.87 59.00 3hbf n SER 273 Cb 0.40 -3.27 -0.07 0.00 -1.01 0.00 0.00 64.21 60.27 3hbf n SER 273 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hbf n SER 274 N -2.78 2.94 -4.83 6.43 3.41 -0.11 -4.17 113.62 114.50 3hbf n SER 274 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3hbf n SER 274 Cb 0.53 1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 65.43 3hbf n SER 274 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hbf s VAL 275 N -2.38 5.03 -0.22 -3.33 1.01 0.12 -4.04 120.40 116.59 3hbf s VAL 275 Ca -0.04 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 3hbf s VAL 275 Cb 0.04 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3hbf s VAL 275 CO 0.36 0.57 0.29 -0.69 0.00 0.00 0.00 175.10 175.63 3hbf s VAL 276 N -1.02 5.27 -0.17 2.92 1.01 -0.42 -0.68 120.40 127.30 3hbf s VAL 276 Ca 0.24 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3hbf s VAL 276 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3hbf s VAL 276 CO 0.13 0.29 0.02 -0.47 0.00 0.00 0.00 175.10 175.07 3hbf s TYR 277 N 1.23 3.16 -0.10 5.22 6.04 -0.49 -1.01 117.35 131.39 3hbf s TYR 277 Ca 0.14 -0.09 0.03 0.00 0.04 0.00 0.00 57.07 57.19 3hbf s TYR 277 Cb -0.14 -2.03 0.01 0.00 -1.04 0.00 0.00 41.96 38.75 3hbf s TYR 277 CO 0.07 0.06 -0.20 0.42 -1.54 0.00 0.00 175.55 174.36 3hbf s ILE 278 N 0.40 1.80 -0.29 3.14 1.01 -0.01 -0.67 121.20 126.59 3hbf s ILE 278 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 3hbf s ILE 278 Cb -0.13 -1.59 0.11 0.00 0.01 0.00 0.00 42.46 40.85 3hbf s ILE 278 CO 0.01 0.50 0.75 -0.55 0.00 0.00 0.00 174.94 175.66 3hbf s SER 279 N 0.62 -0.89 -0.35 3.58 0.15 -0.60 -0.07 113.70 116.16 3hbf s SER 279 Ca -0.13 1.36 0.09 0.00 0.70 0.00 0.00 55.95 57.96 3hbf s SER 279 Cb -0.17 1.55 0.68 0.00 -1.71 0.00 0.00 66.02 66.38 3hbf s SER 279 CO 0.04 -0.21 1.77 0.49 1.20 0.00 0.00 173.24 176.53 3hbf n PHE 280 N 4.47 2.34 -0.04 3.44 3.72 -1.26 -3.50 117.46 126.62 3hbf n PHE 280 Ca -0.18 -1.43 0.00 0.00 -0.05 0.00 0.00 57.45 55.80 3hbf n PHE 280 Cb 0.56 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 3hbf n PHE 280 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hbf n GLY 281 N -0.61 -3.54 0.28 1.37 0.00 -1.26 -4.17 105.19 97.26 3hbf n GLY 281 Ca 0.44 -2.08 0.17 0.00 0.00 0.00 0.00 46.02 44.55 3hbf n GLY 281 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hbf h SER 282 N 0.00 0.00 0.00 1.61 4.64 -2.00 -3.40 113.55 114.40 3hbf h SER 282 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbf h SER 282 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hbf h SER 282 CO 0.00 0.02 -0.43 1.33 -0.87 0.00 0.00 176.83 176.88 3hbf n VAL 283 N -3.13 0.00 -1.36 0.95 0.24 -1.26 -5.05 118.33 108.72 3hbf n VAL 283 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 3hbf n VAL 283 Cb 0.30 -0.60 -0.01 0.00 -1.47 0.00 0.00 33.84 32.06 3hbf n VAL 283 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hbf n VAL 284 N -2.35 1.28 -3.58 3.34 0.31 -1.26 -4.95 118.33 111.12 3hbf n VAL 284 Ca 0.00 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.54 3hbf n VAL 284 Cb 0.21 -0.11 -0.15 0.00 -0.91 0.00 0.00 33.84 32.88 3hbf n VAL 284 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hbf s THR 285 N -1.42 0.06 0.75 2.52 -4.23 -1.26 -4.70 115.64 107.36 3hbf s THR 285 Ca 0.61 -0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 3hbf s THR 285 Cb -0.73 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 3hbf s THR 285 CO 0.60 -0.66 0.45 -2.65 -0.54 0.00 0.00 174.62 171.82 3hbf n PRO 286 N 5.20 0.22 -1.93 3.99 -0.02 -1.26 -4.90 135.00 136.29 3hbf n PRO 286 Ca -0.06 0.11 -0.37 0.00 -2.02 0.00 0.00 63.50 61.16 3hbf n PRO 286 Cb 0.43 -1.77 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 3hbf n PRO 286 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hbf s PRO 287 N -2.76 3.07 0.29 0.52 0.04 -1.26 -4.66 135.00 130.24 3hbf s PRO 287 Ca 0.63 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.68 3hbf s PRO 287 Cb -0.33 -2.09 0.71 0.00 0.04 0.00 0.00 34.50 32.82 3hbf s PRO 287 CO 0.60 -1.17 1.60 -1.35 0.04 0.00 0.00 177.00 176.72 3hbf h PRO 288 N 1.19 0.07 0.00 0.56 0.11 -1.92 0.31 132.00 132.31 3hbf h PRO 288 Ca -0.51 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3hbf h PRO 288 Cb 1.30 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hbf h PRO 288 CO 0.56 0.04 -0.14 1.12 -0.21 0.00 0.00 178.00 179.38 3hbf h HIS 289 N 0.07 0.00 0.21 0.65 2.07 -1.97 -1.29 115.15 114.89 3hbf h HIS 289 Ca 0.56 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.79 3hbf h HIS 289 Cb 1.15 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.16 3hbf h HIS 289 CO -0.42 0.14 -1.36 0.93 -3.07 0.00 0.00 177.93 174.15 3hbf h GLU 290 N 0.00 0.44 -0.50 5.12 5.08 -0.66 -2.88 114.58 121.17 3hbf h GLU 290 Ca -0.00 -0.75 0.05 0.00 -1.00 0.00 0.00 59.36 57.66 3hbf h GLU 290 Cb 0.35 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3hbf h GLU 290 CO 0.02 1.36 0.24 -0.07 -1.00 0.00 0.00 179.01 179.56 3hbf h LEU 291 N -0.03 0.33 -0.83 1.33 3.38 -0.94 0.39 115.31 118.95 3hbf h LEU 291 Ca -0.25 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 3hbf h LEU 291 Cb 2.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 3hbf h LEU 291 CO 0.21 0.23 -0.36 0.71 0.09 0.00 0.00 178.44 179.32 3hbf h THR 292 N 0.47 1.29 -0.49 0.22 1.35 -1.35 0.25 112.91 114.66 3hbf h THR 292 Ca 0.23 -1.47 -0.09 0.00 -0.55 0.00 0.00 66.41 64.53 3hbf h THR 292 Cb 0.15 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 3hbf h THR 292 CO -0.17 0.46 -0.06 0.00 -0.25 0.00 0.00 175.52 175.49 3hbf h ALA 293 N 1.24 0.97 0.01 6.62 0.00 -1.15 0.25 119.26 127.19 3hbf h ALA 293 Ca 0.04 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 3hbf h ALA 293 Cb 0.81 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.42 3hbf h ALA 293 CO 0.07 0.62 -0.77 1.25 0.00 0.00 0.00 179.25 180.41 3hbf h LEU 294 N 0.79 0.67 0.34 0.00 5.85 -0.66 -1.61 115.31 120.68 3hbf h LEU 294 Ca 0.14 -0.76 -0.00 0.00 0.84 0.00 0.00 57.88 58.09 3hbf h LEU 294 Cb 0.56 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3hbf h LEU 294 CO 0.03 1.34 -0.29 0.00 -0.34 0.00 0.00 178.44 179.19 3hbf h ALA 295 N 0.34 -0.64 0.00 1.25 0.00 -0.33 0.16 119.26 120.03 3hbf h ALA 295 Ca -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3hbf h ALA 295 Cb 1.47 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3hbf h ALA 295 CO 0.15 -0.89 -0.06 0.93 0.00 0.00 0.00 179.25 179.39 3hbf h GLU 296 N -0.64 0.00 0.09 0.00 5.08 -0.58 -1.58 114.58 116.96 3hbf h GLU 296 Ca -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 3hbf h GLU 296 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hbf h GLU 296 CO -0.03 0.06 -1.15 0.77 -1.00 0.00 0.00 179.01 177.66 3hbf h SER 297 N 0.00 0.59 0.83 1.42 0.02 -0.55 -3.22 113.55 112.63 3hbf h SER 297 Ca -0.00 -0.55 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 3hbf h SER 297 Cb 0.14 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.50 3hbf h SER 297 CO 0.01 1.38 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.61 3hbf h LEU 298 N 0.18 -0.94 -2.44 5.07 3.38 0.22 -1.74 115.31 119.04 3hbf h LEU 298 Ca -0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hbf h LEU 298 Cb 1.83 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.82 3hbf h LEU 298 CO 0.20 -0.63 0.00 -1.84 0.09 0.00 0.00 178.44 176.26 3hbf n GLU 299 N -5.25 0.69 0.00 1.13 0.28 -0.78 -2.49 120.64 114.22 3hbf n GLU 299 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 3hbf n GLU 299 Cb 0.44 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.15 3hbf n GLU 299 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3hbf n GLU 300 N 0.99 0.10 0.00 3.44 2.13 -1.05 -4.77 120.64 121.47 3hbf n GLU 300 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 3hbf n GLU 300 Cb 0.34 -0.56 0.28 0.00 0.27 0.00 0.00 31.44 31.78 3hbf n GLU 300 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hbf n GLY 302 N 1.45 0.55 3.75 0.00 0.00 -1.04 -4.99 105.19 104.92 3hbf n GLY 302 Ca 0.07 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3hbf n GLY 302 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbf s PHE 303 N -1.75 3.31 0.64 1.61 0.40 -1.26 -4.99 117.98 115.95 3hbf s PHE 303 Ca 0.00 1.45 -0.16 0.00 -0.60 0.00 0.00 56.93 57.62 3hbf s PHE 303 Cb 0.00 -3.51 -0.01 0.00 0.51 0.00 0.00 43.02 40.01 3hbf s PHE 303 CO 0.00 -1.40 1.11 -2.14 0.70 0.00 0.00 175.22 173.50 3hbf s PRO 304 N -1.04 2.89 0.11 0.24 0.02 -1.26 -4.88 135.00 131.07 3hbf s PRO 304 Ca 0.50 1.43 -0.19 0.00 0.02 0.00 0.00 61.00 62.76 3hbf s PRO 304 Cb -0.36 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.25 3hbf s PRO 304 CO 0.43 -1.18 0.47 -0.59 -0.33 0.00 0.00 177.00 175.80 3hbf s PHE 305 N -2.25 -0.33 -0.11 6.54 -0.12 -0.89 -1.31 117.98 119.51 3hbf s PHE 305 Ca 0.68 0.14 -0.00 0.00 -0.05 0.00 0.00 56.93 57.70 3hbf s PHE 305 Cb -0.21 0.34 0.02 0.00 -0.63 0.00 0.00 43.02 42.54 3hbf s PHE 305 CO 0.39 -0.71 -0.09 0.42 -0.05 0.00 0.00 175.22 175.18 3hbf s ILE 306 N -3.36 1.11 -0.27 -4.49 1.01 -0.18 -1.19 121.20 113.83 3hbf s ILE 306 Ca -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3hbf s ILE 306 Cb 0.00 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.43 3hbf s ILE 306 CO -0.09 0.38 -0.08 0.86 0.00 0.00 0.00 174.94 176.01 3hbf s TRP 307 N 1.56 3.22 -0.65 3.97 -0.11 0.30 -0.83 118.94 126.41 3hbf s TRP 307 Ca 0.03 -2.10 -0.27 0.00 1.22 0.00 0.00 56.10 54.97 3hbf s TRP 307 Cb -0.13 -1.99 0.02 0.00 -1.50 0.00 0.00 33.47 29.88 3hbf s TRP 307 CO -0.07 -0.84 1.31 0.45 -4.62 0.00 0.00 176.95 173.18 3hbf s SER 308 N 1.17 6.19 -0.15 5.86 0.15 0.91 -1.77 113.70 126.06 3hbf s SER 308 Ca -0.06 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.42 3hbf s SER 308 Cb -0.19 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.52 3hbf s SER 308 CO -0.04 -1.74 0.06 0.12 1.20 0.00 0.00 173.24 172.84 3hbf s PHE 309 N 5.75 3.28 -0.31 3.44 5.36 0.80 -4.53 117.98 131.77 3hbf s PHE 309 Ca 0.42 0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 56.41 3hbf s PHE 309 Cb -0.09 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 3hbf s PHE 309 CO 0.20 0.30 0.32 0.50 -1.46 0.00 0.00 175.22 175.09 3hbf s ARG 310 N -0.10 3.74 0.00 10.12 6.06 -1.26 -4.16 118.95 133.35 3hbf s ARG 310 Ca 0.07 -0.31 0.00 0.00 -2.50 0.00 0.00 55.73 52.99 3hbf s ARG 310 Cb -0.12 -3.74 0.00 0.00 0.06 0.00 0.00 34.95 31.15 3hbf s ARG 310 CO 0.01 -0.39 0.00 0.41 -2.50 0.00 0.00 175.30 172.83 3hbf n GLY 311 N 4.92 -0.52 3.49 8.12 0.00 -1.26 -4.89 105.19 115.04 3hbf n GLY 311 Ca -0.10 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 3hbf n GLY 311 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hbf s ASP 312 N -4.00 6.29 0.25 1.61 -1.08 -1.26 -4.94 116.67 113.54 3hbf s ASP 312 Ca 0.00 -0.60 -0.06 0.00 -0.52 0.00 0.00 52.55 51.37 3hbf s ASP 312 Cb 0.00 -2.37 0.27 0.00 -1.46 0.00 0.00 42.92 39.35 3hbf s ASP 312 CO 0.00 -1.09 1.90 1.55 0.52 0.00 0.00 175.17 178.05 3hbf h PRO 313 N 9.18 1.25 0.00 4.34 0.13 -1.94 0.33 132.00 145.29 3hbf h PRO 313 Ca -0.27 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3hbf h PRO 313 Cb 1.08 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3hbf h PRO 313 CO 1.04 0.88 0.00 0.36 -0.23 0.00 0.00 178.00 180.04 3hbf n LYS 314 N -4.36 0.14 -0.07 0.86 2.85 -1.26 -0.94 118.16 115.38 3hbf n LYS 314 Ca 0.10 0.48 -0.08 0.00 -1.05 0.00 0.00 58.31 57.76 3hbf n LYS 314 Cb 0.06 -1.83 -0.10 0.00 -0.65 0.00 0.00 35.03 32.51 3hbf n LYS 314 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3hbf n GLU 315 N -2.11 1.33 0.02 -1.58 -0.58 -0.32 -4.66 120.64 112.75 3hbf n GLU 315 Ca 0.01 0.03 0.11 0.00 -0.42 0.00 0.00 57.16 56.89 3hbf n GLU 315 Cb 0.14 -1.34 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 3hbf n GLU 315 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hbf n LYS 316 N -2.67 0.36 -4.12 3.49 5.02 0.10 -4.96 118.16 115.39 3hbf n LYS 316 Ca -0.25 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 55.79 3hbf n LYS 316 Cb 0.90 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 34.28 3hbf n LYS 316 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hbf s LEU 317 N -4.07 3.75 0.57 -0.35 1.43 -0.11 -4.81 118.68 115.08 3hbf s LEU 317 Ca 0.01 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 3hbf s LEU 317 Cb 0.14 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 3hbf s LEU 317 CO 0.83 -0.05 0.61 -2.65 0.23 0.00 0.00 176.35 175.33 3hbf n PRO 318 N -1.16 0.59 -1.92 1.29 -0.02 -1.26 -4.83 135.00 127.69 3hbf n PRO 318 Ca -0.07 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 3hbf n PRO 318 Cb 0.58 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 3hbf n PRO 318 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hbf s LYS 319 N -2.19 4.21 0.00 -0.52 -0.14 -1.26 -2.14 119.74 117.69 3hbf s LYS 319 Ca 0.70 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 57.68 3hbf s LYS 319 Cb -0.45 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.48 3hbf s LYS 319 CO 0.53 -0.64 0.00 0.41 -0.76 0.00 0.00 175.35 174.89 3hbf n GLY 320 N 3.81 1.41 0.15 -3.33 0.00 -1.26 -4.93 105.19 101.04 3hbf n GLY 320 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3hbf n GLY 320 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hbf h PHE 321 N 0.00 0.05 0.06 1.61 3.57 -1.78 0.12 116.94 120.57 3hbf h PHE 321 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3hbf h PHE 321 Cb 0.00 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3hbf h PHE 321 CO 0.00 -0.02 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.82 3hbf h LEU 322 N 0.14 -0.47 -0.73 0.59 4.07 -1.92 -0.93 115.31 116.07 3hbf h LEU 322 Ca 0.17 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 58.08 3hbf h LEU 322 Cb 0.22 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3hbf h LEU 322 CO -0.26 -0.23 -0.21 -0.33 -1.08 0.00 0.00 178.44 176.33 3hbf h GLU 323 N -0.30 0.75 0.00 1.13 3.07 -1.92 -1.34 114.58 115.97 3hbf h GLU 323 Ca 0.04 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 58.55 3hbf h GLU 323 Cb 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 3hbf h GLU 323 CO -0.12 0.90 -0.26 -0.09 -1.40 0.00 0.00 179.01 178.04 3hbf h ARG 324 N 0.66 0.00 -0.09 2.33 2.43 -0.51 -3.11 114.38 116.09 3hbf h ARG 324 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3hbf h ARG 324 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3hbf h ARG 324 CO 0.05 0.26 0.00 0.25 -1.51 0.00 0.00 179.97 179.02 3hbf n THR 325 N -3.58 1.90 0.32 0.20 -2.24 -0.38 -4.78 114.28 105.74 3hbf n THR 325 Ca -0.01 -2.01 0.18 0.00 -2.27 0.00 0.00 64.05 59.94 3hbf n THR 325 Cb 0.40 -0.16 0.98 0.00 -2.10 0.00 0.00 70.33 69.44 3hbf n THR 325 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hbf h LYS 326 N 0.59 0.00 0.00 -0.78 2.10 -1.17 -1.41 116.57 115.90 3hbf h LYS 326 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hbf h LYS 326 Cb 1.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3hbf h LYS 326 CO 0.06 0.00 -1.62 -2.37 -2.00 0.00 0.00 179.45 173.52 3hbf n THR 327 N -3.05 0.01 0.07 0.07 5.66 -1.26 -4.57 114.28 111.20 3hbf n THR 327 Ca -0.02 -0.31 -0.03 0.00 -3.05 0.00 0.00 64.05 60.64 3hbf n THR 327 Cb 0.26 0.18 -0.07 0.00 -1.55 0.00 0.00 70.33 69.15 3hbf n THR 327 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 3hbf h LYS 328 N 0.00 0.00 -2.98 1.09 1.63 -1.62 -3.49 116.57 111.20 3hbf h LYS 328 Ca -0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 3hbf h LYS 328 Cb 0.63 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 3hbf h LYS 328 CO 0.00 0.66 0.26 0.20 -3.45 0.00 0.00 179.45 177.12 3hbf s GLY 329 N -4.71 0.09 0.01 5.01 0.00 -0.75 -2.10 107.32 104.87 3hbf s GLY 329 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 44.72 44.33 3hbf s GLY 329 CO 0.80 -0.14 -0.25 0.54 0.00 0.00 0.00 173.10 174.04 3hbf s LYS 330 N -3.24 1.89 -0.22 2.90 1.02 -0.33 -4.61 119.74 117.15 3hbf s LYS 330 Ca 0.13 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.13 3hbf s LYS 330 Cb -0.05 -1.94 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 3hbf s LYS 330 CO 0.09 0.52 -0.09 0.42 -0.92 0.00 0.00 175.35 175.36 3hbf s ILE 331 N -0.70 1.73 0.23 2.17 1.01 -1.26 -0.54 121.20 123.84 3hbf s ILE 331 Ca 0.10 -1.19 0.12 0.00 0.00 0.00 0.00 60.65 59.68 3hbf s ILE 331 Cb -0.10 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 3hbf s ILE 331 CO 0.01 0.07 -0.21 0.68 0.00 0.00 0.00 174.94 175.48 3hbf s VAL 332 N 1.33 2.48 0.08 2.92 -7.23 -0.73 -4.95 120.40 114.31 3hbf s VAL 332 Ca -0.04 -2.18 0.15 0.00 -1.81 0.00 0.00 61.98 58.10 3hbf s VAL 332 Cb -0.18 -2.25 0.04 0.00 0.56 0.00 0.00 36.38 34.55 3hbf s VAL 332 CO -0.07 -0.25 1.56 0.00 -0.31 0.00 0.00 175.10 176.03 3hbf h ALA 333 N 2.73 0.79 -2.07 1.32 0.00 -1.87 0.23 119.26 120.40 3hbf h ALA 333 Ca -0.43 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 53.91 3hbf h ALA 333 Cb 1.23 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 3hbf h ALA 333 CO 0.54 0.68 0.13 -0.46 0.00 0.00 0.00 179.25 180.14 3hbf s TRP 334 N -3.27 -0.61 0.05 0.00 -0.11 -1.26 -4.54 118.94 109.20 3hbf s TRP 334 Ca 0.01 1.09 -0.00 0.00 1.22 0.00 0.00 56.10 58.42 3hbf s TRP 334 Cb 0.10 0.36 -0.04 0.00 -1.50 0.00 0.00 33.47 32.39 3hbf s TRP 334 CO 0.73 -0.57 -0.04 0.00 -4.62 0.00 0.00 176.95 172.46 3hbf s ALA 335 N -1.08 0.55 -1.40 5.86 0.00 -1.26 -4.95 121.76 119.47 3hbf s ALA 335 Ca -0.10 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 3hbf s ALA 335 Cb -0.01 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.36 3hbf s ALA 335 CO 0.09 -0.32 2.26 -0.35 0.00 0.00 0.00 175.76 177.43 3hbf n PRO 336 N 0.25 2.77 -0.20 0.00 -0.04 -1.26 -4.78 135.00 131.74 3hbf n PRO 336 Ca -0.15 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 3hbf n PRO 336 Cb 0.60 -3.20 0.09 0.00 -0.04 0.00 0.00 33.50 30.95 3hbf n PRO 336 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3hbf h GLN 337 N 6.12 0.11 -0.59 0.54 4.15 -1.96 0.08 115.11 123.55 3hbf h GLN 337 Ca 0.58 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 60.05 3hbf h GLN 337 Cb 0.61 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 3hbf h GLN 337 CO 1.88 0.07 0.29 -0.39 -1.93 0.00 0.00 178.83 178.76 3hbf h VAL 338 N 0.11 0.91 -0.24 2.39 -1.51 -1.95 -0.15 116.25 115.81 3hbf h VAL 338 Ca 0.31 -0.18 -0.16 0.00 -1.23 0.00 0.00 66.70 65.44 3hbf h VAL 338 Cb 0.50 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 3hbf h VAL 338 CO -0.52 0.10 -0.50 -0.33 -1.23 0.00 0.00 177.57 175.09 3hbf h GLU 339 N 0.54 0.65 0.07 5.19 3.07 -1.85 -2.92 114.58 119.34 3hbf h GLU 339 Ca 0.27 -0.38 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3hbf h GLU 339 Cb 0.22 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3hbf h GLU 339 CO -0.20 1.00 -0.15 0.82 -1.40 0.00 0.00 179.01 179.08 3hbf h ILE 340 N 0.51 0.66 0.00 3.13 1.08 -0.06 -2.13 117.51 120.70 3hbf h ILE 340 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3hbf h ILE 340 Cb 1.05 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3hbf h ILE 340 CO 0.10 0.00 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.45 3hbf h LEU 341 N -0.28 0.00 -0.33 1.44 3.38 -1.04 -0.85 115.31 117.63 3hbf h LEU 341 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hbf h LEU 341 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hbf h LEU 341 CO -0.09 0.04 -0.28 0.29 0.09 0.00 0.00 178.44 178.49 3hbf n LYS 342 N -3.91 0.61 -2.57 1.13 5.02 -0.96 -4.42 118.16 113.06 3hbf n LYS 342 Ca -0.03 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.51 3hbf n LYS 342 Cb 0.13 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3hbf n LYS 342 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hbf s HIS 343 N -2.62 3.54 0.37 2.13 2.46 -0.33 -4.93 115.29 115.91 3hbf s HIS 343 Ca 0.22 1.50 0.34 0.00 0.47 0.00 0.00 55.06 57.59 3hbf s HIS 343 Cb 0.19 -3.27 1.87 0.00 -0.13 0.00 0.00 32.58 31.24 3hbf s HIS 343 CO 0.55 -0.65 2.05 0.66 -2.47 0.00 0.00 174.74 174.89 3hbf h SER 344 N 6.83 0.00 1.17 9.88 4.64 -1.90 -2.49 113.55 131.68 3hbf h SER 344 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3hbf h SER 344 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3hbf h SER 344 CO 0.78 0.00 -0.06 -1.20 -0.87 0.00 0.00 176.83 175.48 3hbf n SER 345 N -2.75 0.42 -4.66 4.97 7.64 -1.26 -1.36 113.62 116.61 3hbf n SER 345 Ca -0.02 0.47 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 3hbf n SER 345 Cb 0.11 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.72 3hbf n SER 345 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hbf s VAL 346 N -3.05 4.83 -0.30 0.44 1.01 -0.94 -0.70 120.40 121.68 3hbf s VAL 346 Ca 0.12 1.70 0.22 0.00 0.00 0.00 0.00 61.98 64.02 3hbf s VAL 346 Cb 0.16 -4.17 -0.29 0.00 0.00 0.00 0.00 36.38 32.07 3hbf s VAL 346 CO 0.58 -0.04 0.63 0.61 0.00 0.00 0.00 175.10 176.88 3hbf n GLY 347 N 3.50 -1.02 3.50 4.51 0.00 0.14 -4.34 105.19 111.48 3hbf n GLY 347 Ca 0.06 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 3hbf n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbf s VAL 348 N -3.37 0.00 -0.24 1.61 0.11 -1.19 -4.39 120.40 112.92 3hbf s VAL 348 Ca -0.03 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 3hbf s VAL 348 Cb 0.14 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.05 3hbf s VAL 348 CO 0.89 0.00 -0.09 0.12 -3.33 0.00 0.00 175.10 172.70 3hbf s PHE 349 N -1.94 2.83 -0.41 1.54 5.36 -0.58 -1.40 117.98 123.38 3hbf s PHE 349 Ca -0.06 -2.03 -0.22 0.00 -0.96 0.00 0.00 56.93 53.66 3hbf s PHE 349 Cb -0.00 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 3hbf s PHE 349 CO 0.02 -0.83 0.74 -1.17 -1.46 0.00 0.00 175.22 172.52 3hbf s LEU 350 N 1.25 4.26 0.26 6.12 2.96 0.16 -0.79 118.68 132.90 3hbf s LEU 350 Ca -0.07 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3hbf s LEU 350 Cb -0.19 -2.91 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 3hbf s LEU 350 CO -0.06 -0.79 0.05 0.28 -1.32 0.00 0.00 176.35 174.51 3hbf s THR 351 N 3.07 0.87 -1.98 3.68 -1.32 0.05 -1.55 115.64 118.46 3hbf s THR 351 Ca 0.28 -2.01 0.25 0.00 -1.21 0.00 0.00 61.69 59.00 3hbf s THR 351 Cb -0.13 -2.57 0.17 0.00 -1.51 0.00 0.00 72.50 68.46 3hbf s THR 351 CO 0.19 -0.12 1.37 0.00 -2.21 0.00 0.00 174.62 173.86 3hbf n HIS 352 N -0.50 0.00 -2.60 9.09 1.44 -1.23 -1.22 115.22 120.20 3hbf n HIS 352 Ca -0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.60 3hbf n HIS 352 Cb 0.65 -0.06 0.02 0.00 0.12 0.00 0.00 29.99 30.72 3hbf n HIS 352 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3hbf n SER 353 N -0.24 -3.36 -4.75 4.39 7.64 -1.26 -3.93 113.62 112.11 3hbf n SER 353 Ca 0.12 -0.12 -0.35 0.00 1.01 0.00 0.00 58.87 59.52 3hbf n SER 353 Cb 0.41 -2.23 0.05 0.00 -1.01 0.00 0.00 64.21 61.43 3hbf n SER 353 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hbf s GLY 354 N -2.92 2.60 0.17 0.23 0.00 -1.26 -4.63 107.32 101.51 3hbf s GLY 354 Ca 0.13 0.93 -0.15 0.00 0.00 0.00 0.00 44.72 45.63 3hbf s GLY 354 CO 0.16 1.32 1.83 -0.25 0.00 0.00 0.00 173.10 176.16 3hbf h TRP 355 N 0.57 0.61 -0.90 1.90 2.91 -1.95 -1.22 115.95 117.87 3hbf h TRP 355 Ca -0.49 0.01 0.01 0.00 1.13 0.00 0.00 58.89 59.55 3hbf h TRP 355 Cb 1.29 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.69 3hbf h TRP 355 CO 0.48 0.39 0.59 -0.91 -1.03 0.00 0.00 178.44 177.96 3hbf h ASN 356 N 0.65 1.04 0.06 2.65 4.21 -1.91 -1.12 115.58 121.15 3hbf h ASN 356 Ca 0.18 -0.03 -0.10 0.00 1.21 0.00 0.00 56.30 57.56 3hbf h ASN 356 Cb -0.07 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.86 3hbf h ASN 356 CO -0.04 0.75 -0.32 0.28 -1.29 0.00 0.00 177.43 176.81 3hbf h SER 357 N 1.22 0.40 -0.28 5.81 0.02 -1.85 -1.23 113.55 117.63 3hbf h SER 357 Ca 0.33 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3hbf h SER 357 Cb -0.14 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3hbf h SER 357 CO -0.07 0.70 0.00 0.58 -1.14 0.00 0.00 176.83 176.91 3hbf h VAL 358 N 0.34 1.25 -0.36 2.27 2.07 -0.18 -2.00 116.25 119.64 3hbf h VAL 358 Ca 0.04 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 3hbf h VAL 358 Cb 0.74 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3hbf h VAL 358 CO 0.06 0.29 -0.21 -0.07 0.02 0.00 0.00 177.57 177.66 3hbf h LEU 359 N 0.28 0.70 -0.92 2.57 3.38 -1.11 -1.50 115.31 118.71 3hbf h LEU 359 Ca 0.08 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3hbf h LEU 359 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hbf h LEU 359 CO 0.01 0.90 -0.39 -0.33 0.09 0.00 0.00 178.44 178.72 3hbf h GLU 360 N 0.61 0.29 -0.09 1.13 5.08 -1.20 -2.17 114.58 118.23 3hbf h GLU 360 Ca 0.09 -0.13 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 3hbf h GLU 360 Cb 0.69 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hbf h GLU 360 CO 0.05 0.64 -0.78 0.00 -1.00 0.00 0.00 179.01 177.93 3hbf h ILE 362 N 0.34 1.24 -0.15 0.00 2.04 -1.06 0.33 117.51 120.25 3hbf h ILE 362 Ca -0.05 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 64.91 3hbf h ILE 362 Cb 1.38 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3hbf h ILE 362 CO 0.14 0.30 -0.43 0.58 0.00 0.00 0.00 178.15 178.74 3hbf h VAL 363 N 0.88 1.32 0.00 1.67 2.07 -1.31 -2.58 116.25 118.29 3hbf h VAL 363 Ca 0.20 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.06 3hbf h VAL 363 Cb 0.25 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3hbf h VAL 363 CO -0.01 0.48 -0.37 1.23 0.02 0.00 0.00 177.57 178.93 3hbf h GLY 364 N 1.19 0.00 -1.29 2.17 0.00 -0.50 -3.48 103.07 101.16 3hbf h GLY 364 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3hbf h GLY 364 CO 0.07 0.00 -0.10 0.61 0.00 0.00 0.00 176.54 177.12 3hbf n GLY 365 N 0.15 0.53 3.43 4.60 0.00 0.11 -4.59 105.19 109.42 3hbf n GLY 365 Ca -0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3hbf n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbf s VAL 366 N -2.72 3.23 0.73 1.61 1.01 -1.07 -4.83 120.40 118.37 3hbf s VAL 366 Ca 0.06 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 3hbf s VAL 366 Cb -0.03 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 34.05 3hbf s VAL 366 CO 0.07 0.54 1.25 -2.84 0.00 0.00 0.00 175.10 174.12 3hbf s PRO 367 N 0.05 2.05 0.20 2.72 0.02 -1.26 -4.78 135.00 134.00 3hbf s PRO 367 Ca -0.04 1.91 0.11 0.00 0.02 0.00 0.00 61.00 63.00 3hbf s PRO 367 Cb -0.14 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 3hbf s PRO 367 CO 0.04 -1.94 -0.20 -1.64 -0.33 0.00 0.00 177.00 172.93 3hbf s MET 368 N -3.78 1.68 -0.13 5.54 -1.94 -0.82 -1.53 119.30 118.31 3hbf s MET 368 Ca 0.78 -1.48 0.02 0.00 -1.71 0.00 0.00 55.69 53.30 3hbf s MET 368 Cb -0.33 -1.92 0.02 0.00 2.01 0.00 0.00 34.83 34.60 3hbf s MET 368 CO 0.46 0.40 -0.17 0.42 -0.01 0.00 0.00 175.02 176.12 3hbf s ILE 369 N -1.75 1.66 -0.06 2.53 1.01 0.03 -1.00 121.20 123.62 3hbf s ILE 369 Ca 0.23 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3hbf s ILE 369 Cb -0.08 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3hbf s ILE 369 CO 0.12 0.47 -0.15 -0.55 0.00 0.00 0.00 174.94 174.83 3hbf s SER 370 N 1.06 3.94 -0.43 3.58 0.15 0.91 -0.77 113.70 122.15 3hbf s SER 370 Ca -0.04 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.40 3hbf s SER 370 Cb -0.15 -0.97 0.17 0.00 -1.71 0.00 0.00 66.02 63.36 3hbf s SER 370 CO -0.04 0.31 0.33 -0.60 1.20 0.00 0.00 173.24 174.44 3hbf s ARG 371 N -0.50 0.98 0.57 5.44 3.00 -0.36 -2.43 118.95 125.65 3hbf s ARG 371 Ca 0.07 -2.11 -0.20 0.00 -1.00 0.00 0.00 55.73 52.48 3hbf s ARG 371 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 34.95 33.23 3hbf s ARG 371 CO 0.02 -1.36 1.26 -1.25 0.00 0.00 0.00 175.30 173.97 3hbf s PRO 372 N 0.07 3.07 -0.04 5.12 0.04 -1.25 -4.40 135.00 137.60 3hbf s PRO 372 Ca 0.30 1.99 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 3hbf s PRO 372 Cb -0.00 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3hbf s PRO 372 CO -0.17 -1.17 -0.05 1.19 0.04 0.00 0.00 177.00 176.84 3hbf n PHE 373 N -1.30 0.00 -3.44 0.56 3.72 -1.26 -4.92 117.46 110.82 3hbf n PHE 373 Ca 0.12 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.48 3hbf n PHE 373 Cb 0.48 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3hbf n PHE 373 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 3hbf n PHE 374 N -3.09 -1.28 0.00 1.38 1.16 -1.26 -5.01 117.46 109.36 3hbf n PHE 374 Ca -0.08 -0.75 0.00 0.00 -1.87 0.00 0.00 57.45 54.75 3hbf n PHE 374 Cb 0.56 0.30 0.00 0.00 -1.61 0.00 0.00 39.48 38.73 3hbf n PHE 374 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3hbf n GLY 375 N -0.20 3.63 0.61 4.97 0.00 -1.26 -1.69 105.19 111.24 3hbf n GLY 375 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3hbf n GLY 375 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hbf n ASP 376 N 5.60 1.89 -0.29 1.61 5.75 -1.26 -2.28 116.55 127.58 3hbf n ASP 376 Ca 0.00 -1.64 0.02 0.00 -0.01 0.00 0.00 54.79 53.16 3hbf n ASP 376 Cb 0.00 -0.02 0.15 0.00 -1.03 0.00 0.00 41.12 40.22 3hbf n ASP 376 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3hbf h GLN 377 N 2.87 0.78 -0.30 0.11 4.20 -1.58 -0.93 115.11 120.25 3hbf h GLN 377 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hbf h GLN 377 Cb 0.61 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3hbf h GLN 377 CO 0.00 0.52 0.20 0.78 -0.67 0.00 0.00 178.83 179.65 3hbf h GLY 378 N 0.80 0.42 1.86 3.46 0.00 -1.78 -1.43 103.07 106.40 3hbf h GLY 378 Ca 0.38 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 3hbf h GLY 378 CO -0.23 0.16 -0.32 -2.00 0.00 0.00 0.00 176.54 174.15 3hbf h LEU 379 N 0.41 0.16 -1.06 3.11 5.85 -1.51 -2.19 115.31 120.07 3hbf h LEU 379 Ca 0.11 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3hbf h LEU 379 Cb -0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3hbf h LEU 379 CO -0.02 0.48 -0.46 0.78 -0.34 0.00 0.00 178.44 178.87 3hbf h ASN 380 N 0.14 0.00 -0.24 1.25 2.35 -0.73 -1.87 115.58 116.48 3hbf h ASN 380 Ca 0.02 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 3hbf h ASN 380 Cb 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 3hbf h ASN 380 CO 0.05 0.46 -0.34 0.74 -1.65 0.00 0.00 177.43 176.69 3hbf h THR 381 N 0.00 1.31 -0.54 2.81 2.02 -0.68 -0.89 112.91 116.94 3hbf h THR 381 Ca -0.00 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.58 3hbf h THR 381 Cb 0.83 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 3hbf h THR 381 CO 0.06 0.48 0.12 0.40 0.37 0.00 0.00 175.52 176.95 3hbf h ILE 382 N 0.37 1.23 -0.34 3.11 2.04 -1.33 0.21 117.51 122.80 3hbf h ILE 382 Ca 0.03 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3hbf h ILE 382 Cb 0.92 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3hbf h ILE 382 CO 0.08 0.31 0.11 0.25 0.00 0.00 0.00 178.15 178.91 3hbf h LEU 383 N 0.80 0.48 -0.15 1.44 7.12 -1.15 0.86 115.31 124.71 3hbf h LEU 383 Ca 0.17 -0.19 -0.20 0.00 0.13 0.00 0.00 57.88 57.79 3hbf h LEU 383 Cb 0.32 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.29 3hbf h LEU 383 CO 0.00 0.55 -0.93 0.71 -0.13 0.00 0.00 178.44 178.64 3hbf h THR 384 N 0.39 1.66 0.00 1.05 1.35 -0.84 0.25 112.91 116.78 3hbf h THR 384 Ca 0.11 -3.15 -0.05 0.00 -0.55 0.00 0.00 66.41 62.78 3hbf h THR 384 Cb 0.23 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 3hbf h THR 384 CO -0.01 0.90 -0.49 -0.08 -0.25 0.00 0.00 175.52 175.60 3hbf h GLU 385 N 0.00 0.00 0.00 4.72 4.81 -0.55 0.38 114.58 123.95 3hbf h GLU 385 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3hbf h GLU 385 Cb 1.64 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 3hbf h GLU 385 CO 0.12 0.32 -1.04 0.77 -0.73 0.00 0.00 179.01 178.44 3hbf h SER 386 N -1.00 0.00 0.00 1.04 0.02 -1.02 -3.25 113.55 109.34 3hbf h SER 386 Ca -0.07 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 3hbf h SER 386 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3hbf h SER 386 CO -0.04 0.28 -1.28 0.52 -1.14 0.00 0.00 176.83 175.18 3hbf n VAL 387 N -2.85 1.34 0.07 2.27 0.31 -1.05 -4.72 118.33 113.70 3hbf n VAL 387 Ca -0.03 0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.33 3hbf n VAL 387 Cb 0.68 -2.03 -0.05 0.00 -0.91 0.00 0.00 33.84 31.54 3hbf n VAL 387 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hbf h LEU 388 N -0.76 0.00 -1.78 7.52 3.38 -0.67 -3.49 115.31 119.51 3hbf h LEU 388 Ca -0.19 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.35 3hbf h LEU 388 Cb 1.02 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.82 3hbf h LEU 388 CO -0.12 0.52 -0.83 -0.62 0.09 0.00 0.00 178.44 177.48 3hbf n GLU 389 N -2.97 -4.87 -0.11 1.13 1.02 0.02 -4.87 120.64 109.99 3hbf n GLU 389 Ca -0.06 0.61 0.04 0.00 -0.02 0.00 0.00 57.16 57.74 3hbf n GLU 389 Cb 0.79 -5.16 0.09 0.00 -0.02 0.00 0.00 31.44 27.14 3hbf n GLU 389 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3hbf n ILE 390 N -4.28 1.28 -3.66 -3.67 -5.35 0.11 -4.50 119.36 99.29 3hbf n ILE 390 Ca -0.30 -1.30 -0.01 0.00 -0.27 0.00 0.00 62.75 60.87 3hbf n ILE 390 Cb 0.68 0.30 -0.01 0.00 -1.74 0.00 0.00 39.64 38.87 3hbf n ILE 390 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hbf s GLY 391 N -1.41 -0.34 0.08 3.28 0.00 -1.00 -1.95 107.32 105.97 3hbf s GLY 391 Ca 0.16 0.56 0.05 0.00 0.00 0.00 0.00 44.72 45.49 3hbf s GLY 391 CO 0.06 0.12 -0.13 -1.34 0.00 0.00 0.00 173.10 171.80 3hbf s VAL 392 N -2.77 1.07 0.48 1.40 -7.23 -0.17 -3.67 120.40 109.52 3hbf s VAL 392 Ca 0.13 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3hbf s VAL 392 Cb 0.02 -1.12 0.01 0.00 0.56 0.00 0.00 36.38 35.85 3hbf s VAL 392 CO -0.02 -0.30 0.69 -0.83 -0.31 0.00 0.00 175.10 174.34 3hbf s GLY 393 N -1.89 1.69 0.11 2.32 0.00 -1.26 -0.06 107.32 108.24 3hbf s GLY 393 Ca -0.01 -1.23 -0.10 0.00 0.00 0.00 0.00 44.72 43.39 3hbf s GLY 393 CO 0.02 -1.01 0.43 -1.34 0.00 0.00 0.00 173.10 171.20 3hbf s VAL 394 N -2.60 5.06 0.19 1.40 -7.23 -1.02 -4.81 120.40 111.39 3hbf s VAL 394 Ca 0.52 0.44 -0.31 0.00 -1.81 0.00 0.00 61.98 60.82 3hbf s VAL 394 Cb -0.10 -3.65 -0.16 0.00 0.56 0.00 0.00 36.38 33.03 3hbf s VAL 394 CO 0.37 0.21 0.98 0.47 -0.31 0.00 0.00 175.10 176.82 3hbf n ASP 395 N 0.66 0.65 -0.46 4.85 8.00 -1.26 -0.83 116.55 128.16 3hbf n ASP 395 Ca -0.06 1.15 -0.05 0.00 0.71 0.00 0.00 54.79 56.54 3hbf n ASP 395 Cb 0.52 -1.15 -0.02 0.00 -0.02 0.00 0.00 41.12 40.45 3hbf n ASP 395 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hbf n ASN 396 N 1.77 -5.04 -1.43 -2.24 3.02 -1.26 -2.69 115.26 107.40 3hbf n ASN 396 Ca 0.15 0.13 -0.18 0.00 -0.03 0.00 0.00 54.58 54.66 3hbf n ASN 396 Cb 0.25 -3.44 -0.07 0.00 -0.61 0.00 0.00 39.78 35.91 3hbf n ASN 396 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbf n GLY 397 N 0.50 1.48 3.15 7.41 0.00 -0.01 -4.98 105.19 112.74 3hbf n GLY 397 Ca -0.05 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 3hbf n GLY 397 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbf s VAL 398 N -2.68 0.92 -0.42 1.61 -7.23 -1.10 -4.79 120.40 106.71 3hbf s VAL 398 Ca 0.00 -1.39 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 3hbf s VAL 398 Cb 0.00 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.88 3hbf s VAL 398 CO 0.00 -0.39 0.79 -0.76 -0.31 0.00 0.00 175.10 174.43 3hbf s LEU 399 N -1.99 4.20 0.13 1.32 1.43 -1.26 -4.61 118.68 117.91 3hbf s LEU 399 Ca -0.01 0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3hbf s LEU 399 Cb -0.07 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3hbf s LEU 399 CO 0.01 -0.86 -0.12 0.42 0.23 0.00 0.00 176.35 176.02 3hbf s THR 400 N 3.25 1.25 0.34 5.49 -4.23 -1.26 -4.54 115.64 115.94 3hbf s THR 400 Ca 0.31 -1.82 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 3hbf s THR 400 Cb -0.12 -1.61 0.33 0.00 1.34 0.00 0.00 72.50 72.44 3hbf s THR 400 CO 0.21 -0.54 1.74 0.50 -0.54 0.00 0.00 174.62 176.00 3hbf h LYS 401 N 3.27 0.52 0.04 3.99 3.64 -1.95 0.33 116.57 126.42 3hbf h LYS 401 Ca -0.38 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3hbf h LYS 401 Cb 1.20 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3hbf h LYS 401 CO 0.55 0.35 -0.02 0.93 -2.27 0.00 0.00 179.45 178.99 3hbf h GLU 402 N 0.54 -0.05 -0.51 1.90 3.07 -1.95 -1.97 114.58 115.61 3hbf h GLU 402 Ca 0.63 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.42 3hbf h GLU 402 Cb 1.29 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 3hbf h GLU 402 CO -0.42 0.45 0.01 0.66 -1.40 0.00 0.00 179.01 178.31 3hbf h SER 403 N -0.58 0.82 0.41 1.42 4.64 -1.63 -2.15 113.55 116.48 3hbf h SER 403 Ca -0.01 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3hbf h SER 403 Cb 0.52 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hbf h SER 403 CO 0.01 0.88 -0.20 0.40 -0.87 0.00 0.00 176.83 177.05 3hbf h ILE 404 N 0.79 0.58 -0.59 0.95 2.04 -0.43 -1.80 117.51 119.06 3hbf h ILE 404 Ca 0.15 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3hbf h ILE 404 Cb 0.46 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3hbf h ILE 404 CO 0.02 0.05 0.39 0.11 0.00 0.00 0.00 178.15 178.72 3hbf h LYS 405 N -0.72 0.78 -0.34 2.37 1.57 -1.34 -1.20 116.57 117.69 3hbf h LYS 405 Ca -0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3hbf h LYS 405 Cb 0.51 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3hbf h LYS 405 CO 0.09 0.51 0.14 -0.22 -0.57 0.00 0.00 179.45 179.41 3hbf h LYS 406 N 0.80 0.51 -0.35 3.15 3.64 -1.24 -2.33 116.57 120.75 3hbf h LYS 406 Ca 0.22 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 3hbf h LYS 406 Cb -0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3hbf h LYS 406 CO -0.05 0.50 -0.28 0.00 -2.27 0.00 0.00 179.45 177.35 3hbf h ALA 407 N 0.98 0.86 -0.28 5.00 0.00 -0.77 -2.62 119.26 122.43 3hbf h ALA 407 Ca 0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3hbf h ALA 407 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hbf h ALA 407 CO -0.01 0.63 0.03 -0.07 0.00 0.00 0.00 179.25 179.84 3hbf h LEU 408 N 0.62 0.45 -0.76 0.00 3.38 -1.18 -1.85 115.31 115.97 3hbf h LEU 408 Ca 0.08 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3hbf h LEU 408 Cb 0.79 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3hbf h LEU 408 CO 0.07 0.61 0.01 -0.08 0.09 0.00 0.00 178.44 179.14 3hbf h GLU 409 N 0.28 0.95 -0.57 1.13 4.81 -1.41 0.76 114.58 120.53 3hbf h GLU 409 Ca 0.08 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3hbf h GLU 409 Cb 0.36 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3hbf h GLU 409 CO 0.01 0.93 0.07 1.25 -0.73 0.00 0.00 179.01 180.54 3hbf h LEU 410 N 0.88 0.89 0.00 1.64 5.85 -1.40 0.20 115.31 123.36 3hbf h LEU 410 Ca 0.16 -0.20 -0.28 0.00 0.84 0.00 0.00 57.88 58.41 3hbf h LEU 410 Cb 0.50 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3hbf h LEU 410 CO 0.02 0.90 -1.77 0.35 -0.34 0.00 0.00 178.44 177.61 3hbf n THR 411 N -4.22 1.46 -0.09 1.05 -2.24 -0.70 -1.61 114.28 107.92 3hbf n THR 411 Ca 0.04 -0.78 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 3hbf n THR 411 Cb 0.28 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.52 3hbf n THR 411 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3hbf n MET 412 N -2.95 0.68 -0.30 -0.78 2.81 0.26 -4.46 117.12 112.38 3hbf n MET 412 Ca -0.18 0.16 0.07 0.00 -1.81 0.00 0.00 57.70 55.95 3hbf n MET 412 Cb 1.02 -1.57 0.13 0.00 -0.71 0.00 0.00 33.22 32.08 3hbf n MET 412 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3hbf n SER 413 N -3.24 1.81 -4.46 7.83 7.64 0.59 -5.02 113.62 118.77 3hbf n SER 413 Ca -0.40 -3.02 -0.22 0.00 1.01 0.00 0.00 58.87 56.24 3hbf n SER 413 Cb 1.02 -0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.71 3hbf n SER 413 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hbf s SER 414 N -2.61 2.86 0.43 6.43 1.04 -0.51 -4.92 113.70 116.41 3hbf s SER 414 Ca 0.28 -1.24 0.12 0.00 0.48 0.00 0.00 55.95 55.59 3hbf s SER 414 Cb 0.26 -0.19 0.93 0.00 0.10 0.00 0.00 66.02 67.12 3hbf s SER 414 CO -0.00 -0.39 1.99 -0.08 0.98 0.00 0.00 173.24 175.73 3hbf h GLU 415 N 2.18 0.15 -0.33 4.02 4.81 -1.91 -1.73 114.58 121.78 3hbf h GLU 415 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3hbf h GLU 415 Cb 1.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3hbf h GLU 415 CO 0.69 0.26 0.21 -0.22 -0.73 0.00 0.00 179.01 179.22 3hbf h LYS 416 N 0.15 0.43 -0.66 1.92 1.63 -1.96 -0.73 116.57 117.35 3hbf h LYS 416 Ca 0.03 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3hbf h LYS 416 Cb 0.27 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 3hbf h LYS 416 CO 0.01 0.30 0.32 0.78 -3.45 0.00 0.00 179.45 177.41 3hbf h GLY 417 N 0.46 1.00 0.94 5.01 0.00 -0.34 -0.49 103.07 109.66 3hbf h GLY 417 Ca 0.12 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 3hbf h GLY 417 CO -0.02 0.45 -0.34 -1.33 0.00 0.00 0.00 176.54 175.30 3hbf h GLY 418 N 1.01 0.70 0.98 4.60 0.00 -1.21 -1.48 103.07 107.67 3hbf h GLY 418 Ca 0.23 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 3hbf h GLY 418 CO -0.03 0.70 0.27 -2.22 0.00 0.00 0.00 176.54 175.26 3hbf h ILE 419 N 0.34 1.19 -0.35 2.60 1.08 -1.16 0.70 117.51 121.92 3hbf h ILE 419 Ca 0.02 -0.53 0.03 0.00 -0.39 0.00 0.00 64.86 64.00 3hbf h ILE 419 Cb 0.93 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 3hbf h ILE 419 CO 0.08 0.21 0.14 0.24 -0.69 0.00 0.00 178.15 178.13 3hbf h MET 420 N 0.72 0.29 -0.76 2.37 2.86 -1.01 -0.39 114.93 119.01 3hbf h MET 420 Ca 0.19 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 3hbf h MET 420 Cb 0.09 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3hbf h MET 420 CO -0.03 0.19 0.24 -0.09 1.06 0.00 0.00 176.91 178.29 3hbf h ARG 421 N 0.30 1.17 -0.33 1.72 2.43 -0.86 -1.43 114.38 117.39 3hbf h ARG 421 Ca 0.15 -0.25 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3hbf h ARG 421 Cb 0.10 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3hbf h ARG 421 CO -0.14 0.99 0.05 1.96 -1.51 0.00 0.00 179.97 181.33 3hbf h GLN 422 N 1.13 0.16 -0.31 0.20 4.20 -0.15 -0.81 115.11 119.52 3hbf h GLN 422 Ca 0.24 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 3hbf h GLN 422 Cb 0.30 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3hbf h GLN 422 CO -0.01 0.11 -0.08 0.87 -0.67 0.00 0.00 178.83 179.05 3hbf h LYS 423 N 0.16 0.61 -0.07 1.46 1.57 -0.79 -2.31 116.57 117.20 3hbf h LYS 423 Ca 0.16 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3hbf h LYS 423 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3hbf h LYS 423 CO -0.22 0.79 -0.12 0.97 -0.57 0.00 0.00 179.45 180.30 3hbf h ILE 424 N 0.38 1.13 -0.43 1.86 6.09 -1.11 -0.84 117.51 124.59 3hbf h ILE 424 Ca 0.08 -0.60 -0.14 0.00 -1.37 0.00 0.00 64.86 62.83 3hbf h ILE 424 Cb 0.57 1.22 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 3hbf h ILE 424 CO 0.03 0.18 -0.28 0.58 -3.07 0.00 0.00 178.15 175.59 3hbf h VAL 425 N 0.10 1.27 -0.51 2.19 2.07 -0.94 0.20 116.25 120.63 3hbf h VAL 425 Ca 0.02 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 3hbf h VAL 425 Cb 0.29 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3hbf h VAL 425 CO 0.02 0.49 0.18 0.11 0.02 0.00 0.00 177.57 178.39 3hbf h LYS 426 N 0.78 0.79 -0.38 1.57 1.79 -0.76 -2.07 116.57 118.30 3hbf h LYS 426 Ca 0.09 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3hbf h LYS 426 Cb 0.86 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 3hbf h LYS 426 CO 0.08 0.71 0.23 1.25 -1.08 0.00 0.00 179.45 180.64 3hbf h LEU 427 N 0.70 0.45 -0.85 2.94 5.85 -0.92 -1.68 115.31 121.80 3hbf h LEU 427 Ca 0.17 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3hbf h LEU 427 Cb 0.24 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 3hbf h LEU 427 CO -0.01 0.38 0.52 0.50 -0.34 0.00 0.00 178.44 179.48 3hbf h LYS 428 N 0.49 0.88 -0.47 1.25 3.64 -0.35 -0.64 116.57 121.37 3hbf h LYS 428 Ca 0.14 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 3hbf h LYS 428 Cb 0.01 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3hbf h LYS 428 CO -0.03 0.58 -0.10 0.93 -2.27 0.00 0.00 179.45 178.56 3hbf h GLU 429 N 0.90 0.85 -0.76 1.90 5.08 -0.97 -1.60 114.58 119.98 3hbf h GLU 429 Ca 0.39 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3hbf h GLU 429 Cb 0.26 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3hbf h GLU 429 CO -0.21 0.91 0.39 0.77 -1.00 0.00 0.00 179.01 179.88 3hbf h SER 430 N 0.77 0.96 0.34 1.42 0.02 -0.26 -1.49 113.55 115.30 3hbf h SER 430 Ca 0.13 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3hbf h SER 430 Cb 0.61 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3hbf h SER 430 CO 0.04 0.79 -0.16 0.00 -1.14 0.00 0.00 176.83 176.36 3hbf h ALA 431 N 1.36 -0.45 -0.97 3.77 0.00 -0.66 -1.88 119.26 120.43 3hbf h ALA 431 Ca 0.27 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.17 3hbf h ALA 431 Cb 0.07 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3hbf h ALA 431 CO -0.04 -0.71 0.62 0.74 0.00 0.00 0.00 179.25 179.85 3hbf h PHE 432 N -0.54 1.06 -0.64 0.00 0.04 -1.07 -1.03 116.94 114.76 3hbf h PHE 432 Ca -0.05 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 3hbf h PHE 432 Cb 0.40 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3hbf h PHE 432 CO -0.03 0.42 0.06 -0.22 -0.60 0.00 0.00 178.31 177.93 3hbf h LYS 433 N 0.92 1.09 -0.01 1.51 3.64 -1.06 -2.67 116.57 120.01 3hbf h LYS 433 Ca 0.48 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3hbf h LYS 433 Cb 0.53 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3hbf h LYS 433 CO -0.25 1.03 -0.13 0.00 -2.27 0.00 0.00 179.45 177.84 3hbf h ALA 434 N 1.04 1.78 -0.03 5.00 0.00 -0.36 -2.68 119.26 124.00 3hbf h ALA 434 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hbf h ALA 434 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hbf h ALA 434 CO 0.02 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.77 3hbf n VAL 435 N -4.38 0.01 -0.94 0.00 0.24 -0.91 -0.35 118.33 112.00 3hbf n VAL 435 Ca -0.03 -0.37 -0.31 0.00 -2.04 0.00 0.00 64.34 61.60 3hbf n VAL 435 Cb 0.20 0.94 0.15 0.00 -1.47 0.00 0.00 33.84 33.66 3hbf n VAL 435 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3hbf s GLU 436 N -1.99 1.28 0.28 7.34 2.02 -1.01 -4.67 118.70 121.96 3hbf s GLU 436 Ca 0.34 1.26 0.06 0.00 0.02 0.00 0.00 54.97 56.65 3hbf s GLU 436 Cb 0.21 -1.78 0.80 0.00 0.10 0.00 0.00 34.13 33.46 3hbf s GLU 436 CO 0.32 -2.35 1.34 0.94 0.02 0.00 0.00 175.26 175.53 3hbf n GLN 437 N -4.02 -0.06 -0.39 1.61 7.27 -1.26 0.46 117.38 120.99 3hbf n GLN 437 Ca 0.09 1.25 0.07 0.00 0.07 0.00 0.00 57.00 58.49 3hbf n GLN 437 Cb 0.53 -2.06 0.21 0.00 2.41 0.00 0.00 30.24 31.33 3hbf n GLN 437 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3hbf n ASN 438 N -5.15 3.04 -4.70 1.69 3.02 -1.26 -4.67 115.26 107.23 3hbf n ASN 438 Ca 0.24 -3.21 -0.29 0.00 -0.03 0.00 0.00 54.58 51.29 3hbf n ASN 438 Cb 0.79 -0.52 0.17 0.00 -0.61 0.00 0.00 39.78 39.61 3hbf n ASN 438 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hbf s GLY 439 N -2.42 1.57 0.34 7.41 0.00 0.17 -4.81 107.32 109.59 3hbf s GLY 439 Ca 0.39 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.78 3hbf s GLY 439 CO 0.05 0.23 1.99 -0.91 0.00 0.00 0.00 173.10 174.46 3hbf h THR 440 N -1.80 1.14 0.04 0.90 1.35 -1.72 -2.12 112.91 110.69 3hbf h THR 440 Ca -0.53 -0.30 -0.18 0.00 -0.55 0.00 0.00 66.41 64.84 3hbf h THR 440 Cb 1.33 0.18 0.02 0.00 -1.73 0.00 0.00 68.15 67.94 3hbf h THR 440 CO 0.58 0.16 -0.74 0.28 -0.25 0.00 0.00 175.52 175.55 3hbf h SER 441 N 0.88 0.58 -0.86 5.36 0.02 -0.87 -2.09 113.55 116.57 3hbf h SER 441 Ca 0.26 -0.80 0.11 0.00 -0.84 0.00 0.00 61.79 60.52 3hbf h SER 441 Cb -0.02 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.26 3hbf h SER 441 CO -0.07 1.32 0.49 0.00 -1.14 0.00 0.00 176.83 177.43 3hbf h ALA 442 N 0.28 1.26 -0.35 3.77 0.00 -1.40 0.13 119.26 122.96 3hbf h ALA 442 Ca -0.10 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3hbf h ALA 442 Cb 1.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3hbf h ALA 442 CO 0.14 0.07 -0.18 0.52 0.00 0.00 0.00 179.25 179.81 3hbf h MET 443 N 0.79 0.73 -0.09 0.00 0.00 -1.39 -1.80 114.93 113.17 3hbf h MET 443 Ca 0.43 -0.32 -0.07 0.00 0.00 0.00 0.00 59.70 59.74 3hbf h MET 443 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 31.60 32.03 3hbf h MET 443 CO -0.28 0.93 -0.27 -0.44 0.00 0.00 0.00 176.91 176.86 3hbf h ASP 444 N 0.51 0.15 -0.12 1.22 3.32 -0.64 -1.46 116.42 119.41 3hbf h ASP 444 Ca 0.08 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3hbf h ASP 444 Cb 0.72 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3hbf h ASP 444 CO 0.05 0.43 -0.26 0.15 -1.72 0.00 0.00 179.24 177.89 3hbf h PHE 445 N 0.14 0.64 -0.33 4.55 3.57 -0.51 0.34 116.94 125.35 3hbf h PHE 445 Ca 0.02 -0.14 -0.16 0.00 3.53 0.00 0.00 57.97 61.22 3hbf h PHE 445 Cb 0.56 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3hbf h PHE 445 CO 0.01 0.78 -0.41 1.15 -2.23 0.00 0.00 178.31 177.60 3hbf h THR 446 N 0.50 1.28 -0.22 4.41 2.02 -0.83 -0.69 112.91 119.38 3hbf h THR 446 Ca 0.07 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.63 3hbf h THR 446 Cb 0.71 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3hbf h THR 446 CO 0.05 0.52 0.04 0.74 0.37 0.00 0.00 175.52 177.25 3hbf h THR 447 N 0.66 1.22 -0.40 3.16 2.02 -0.72 -2.01 112.91 116.84 3hbf h THR 447 Ca 0.05 -0.73 0.07 0.00 0.77 0.00 0.00 66.41 66.57 3hbf h THR 447 Cb 0.98 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 3hbf h THR 447 CO 0.09 0.23 0.04 0.25 0.37 0.00 0.00 175.52 176.50 3hbf h LEU 448 N 0.17 -0.08 -0.70 2.58 5.85 -0.16 -0.99 115.31 121.98 3hbf h LEU 448 Ca 0.07 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3hbf h LEU 448 Cb 0.30 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3hbf h LEU 448 CO 0.00 -0.01 0.46 0.40 -0.34 0.00 0.00 178.44 178.96 3hbf h ILE 449 N 0.15 1.17 -0.36 4.05 2.04 -0.96 -1.40 117.51 122.20 3hbf h ILE 449 Ca 0.20 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3hbf h ILE 449 Cb 0.26 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3hbf h ILE 449 CO -0.30 0.17 0.19 -0.61 0.00 0.00 0.00 178.15 177.60 3hbf h GLN 450 N 0.94 0.51 -0.39 2.37 -0.00 -0.69 -0.18 115.11 117.67 3hbf h GLN 450 Ca 0.26 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 3hbf h GLN 450 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.26 3hbf h GLN 450 CO -0.06 0.44 0.18 0.82 0.00 0.00 0.00 178.83 180.21 3hbf h ILE 451 N 0.45 1.18 -0.26 2.39 2.04 -0.96 -1.95 117.51 120.40 3hbf h ILE 451 Ca 0.13 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 3hbf h ILE 451 Cb 0.09 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3hbf h ILE 451 CO -0.02 0.20 -0.26 0.58 0.00 0.00 0.00 178.15 178.65 3hbf h VAL 452 N 0.49 1.27 -0.50 1.67 2.07 -1.10 -3.23 116.25 116.92 3hbf h VAL 452 Ca 0.13 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3hbf h VAL 452 Cb 0.15 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3hbf h VAL 452 CO -0.01 0.42 0.00 0.35 0.02 0.00 0.00 177.57 178.34 3hbf n THR 453 N -4.11 2.24 0.20 2.57 -2.24 -0.10 -4.81 114.28 108.03 3hbf n THR 453 Ca -0.00 -1.44 0.02 0.00 -2.27 0.00 0.00 64.05 60.36 3hbf n THR 453 Cb 0.42 -0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 3hbf n THR 453 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96