#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrw n LEU 2 N 0.00 0.00 0.00 1.34 4.77 -1.26 -4.97 117.00 116.88 3hrw n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hrw n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hrw n LEU 2 CO 0.00 -0.29 0.00 -1.54 -1.33 0.00 0.00 177.39 174.23 3hrw n SER 3 N -0.17 -0.21 -0.03 -1.43 3.41 -1.26 -4.95 113.62 108.98 3hrw n SER 3 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3hrw n SER 3 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3hrw n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrw n GLY 4 N 0.00 -0.96 0.65 5.00 0.00 -1.26 -3.72 105.19 104.90 3hrw n GLY 4 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.96 3hrw n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hrw n GLU 5 N -3.03 1.85 0.10 1.61 0.28 -1.26 -4.17 120.64 116.02 3hrw n GLU 5 Ca -0.21 -1.17 -0.23 0.00 -0.16 0.00 0.00 57.16 55.39 3hrw n GLU 5 Cb 1.07 -1.32 -0.15 0.00 1.43 0.00 0.00 31.44 32.47 3hrw n GLU 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3hrw h ASP 6 N 1.84 0.69 -1.01 -1.84 5.19 -1.93 -3.28 116.42 116.10 3hrw h ASP 6 Ca 0.00 -0.90 0.03 0.00 -0.62 0.00 0.00 57.03 55.54 3hrw h ASP 6 Cb 0.51 -0.23 -0.06 0.00 0.18 0.00 0.00 39.33 39.74 3hrw h ASP 6 CO 0.02 1.73 0.66 0.11 -3.12 0.00 0.00 179.24 178.65 3hrw h LYS 7 N 0.12 1.26 -0.18 3.56 1.57 -1.88 -0.96 116.57 120.07 3hrw h LYS 7 Ca -0.30 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3hrw h LYS 7 Cb 2.12 -0.28 -0.05 0.00 0.08 0.00 0.00 32.23 34.09 3hrw h LYS 7 CO 0.22 0.83 -0.17 1.03 -0.57 0.00 0.00 179.45 180.79 3hrw h SER 8 N 1.30 -0.53 -0.18 0.86 0.87 -1.80 0.11 113.55 114.19 3hrw h SER 8 Ca 0.39 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 61.01 3hrw h SER 8 Cb -0.05 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3hrw h SER 8 CO -0.11 -0.21 -0.05 0.78 -0.53 0.00 0.00 176.83 176.71 3hrw h ASN 9 N -0.19 0.35 -0.24 6.23 -0.26 -1.55 1.19 115.58 121.12 3hrw h ASN 9 Ca 0.11 -0.37 0.03 0.00 -0.56 0.00 0.00 56.30 55.51 3hrw h ASN 9 Cb 0.35 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.46 3hrw h ASN 9 CO -0.29 0.64 -0.41 0.40 -1.06 0.00 0.00 177.43 176.72 3hrw h ILE 10 N 0.06 0.00 -0.01 2.81 2.04 -1.05 1.57 117.51 122.94 3hrw h ILE 10 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3hrw h ILE 10 Cb 0.49 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3hrw h ILE 10 CO 0.02 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.55 3hrw h LYS 11 N -0.34 -0.20 -0.18 2.37 3.64 -0.90 0.86 116.57 121.82 3hrw h LYS 11 Ca 0.04 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3hrw h LYS 11 Cb 0.46 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 3hrw h LYS 11 CO -0.41 -0.13 -0.49 0.00 -2.27 0.00 0.00 179.45 176.16 3hrw h ALA 12 N 0.76 -0.72 -0.40 5.00 0.00 0.24 0.80 119.26 124.94 3hrw h ALA 12 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3hrw h ALA 12 Cb 0.26 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hrw h ALA 12 CO -0.13 -1.00 -0.27 0.00 0.00 0.00 0.00 179.25 177.86 3hrw h ALA 13 N -0.04 0.77 0.00 0.00 0.00 0.24 0.38 119.26 120.62 3hrw h ALA 13 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hrw h ALA 13 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hrw h ALA 13 CO -0.45 0.65 0.00 1.87 0.00 0.00 0.00 179.25 181.32 3hrw n TRP 14 N -4.09 0.04 -0.04 0.00 -0.00 0.30 -2.80 117.44 110.85 3hrw n TRP 14 Ca -0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 57.50 57.38 3hrw n TRP 14 Cb 0.47 -0.53 -0.08 0.00 -0.00 0.00 0.00 31.31 31.17 3hrw n TRP 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3hrw h GLY 15 N 1.96 0.26 0.29 5.87 0.00 0.29 -3.25 103.07 108.49 3hrw h GLY 15 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 47.33 47.17 3hrw h GLY 15 CO 0.00 0.25 0.33 1.70 0.00 0.00 0.00 176.54 178.82 3hrw h LYS 16 N -0.18 0.50 0.15 4.80 3.64 -1.53 -3.29 116.57 120.65 3hrw h LYS 16 Ca 0.01 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3hrw h LYS 16 Cb 0.64 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3hrw h LYS 16 CO 0.03 0.33 -0.39 0.82 -2.27 0.00 0.00 179.45 177.97 3hrw h ILE 17 N 0.52 0.21 0.00 2.00 1.08 -1.69 -3.46 117.51 116.16 3hrw h ILE 17 Ca 0.39 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.86 3hrw h ILE 17 Cb 0.52 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 3hrw h ILE 17 CO -0.34 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.73 3hrw n GLY 18 N -1.45 2.67 0.34 5.37 0.00 -1.24 -1.64 105.19 109.23 3hrw n GLY 18 Ca -0.07 -0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.00 3hrw n GLY 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hrw h GLY 19 N 0.00 0.00 2.00 -0.02 0.00 -1.95 0.17 103.07 103.27 3hrw h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hrw h GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 3hrw n HIS 20 N -3.49 0.55 -0.09 5.60 -0.00 -0.65 -4.14 115.22 113.00 3hrw n HIS 20 Ca 0.01 0.23 -0.14 0.00 -0.00 0.00 0.00 57.72 57.82 3hrw n HIS 20 Cb 0.32 -0.86 -0.09 0.00 -0.00 0.00 0.00 29.99 29.35 3hrw n HIS 20 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3hrw h GLY 21 N 1.98 -1.09 -0.12 -1.41 0.00 -0.73 -2.93 103.07 98.77 3hrw h GLY 21 Ca 0.00 0.71 0.15 0.00 0.00 0.00 0.00 47.33 48.19 3hrw h GLY 21 CO 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 176.54 176.44 3hrw h ALA 22 N -0.21 0.78 -0.47 3.60 0.00 -1.82 -2.50 119.26 118.63 3hrw h ALA 22 Ca 0.05 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hrw h ALA 22 Cb 0.59 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3hrw h ALA 22 CO -0.51 -0.38 0.11 0.93 0.00 0.00 0.00 179.25 179.41 3hrw h GLU 23 N 0.17 0.71 0.34 0.00 5.08 -1.79 -3.14 114.58 115.94 3hrw h GLU 23 Ca 0.38 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3hrw h GLU 23 Cb 0.64 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hrw h GLU 23 CO -0.55 0.65 -0.25 1.88 -1.00 0.00 0.00 179.01 179.74 3hrw h TYR 24 N 0.69 -0.68 -0.95 4.33 0.05 -1.41 -2.64 116.97 116.36 3hrw h TYR 24 Ca 0.16 -0.00 0.24 0.00 0.05 0.00 0.00 58.73 59.17 3hrw h TYR 24 Cb 0.26 0.25 -0.18 0.00 1.01 0.00 0.00 36.73 38.08 3hrw h TYR 24 CO 0.01 -0.36 -0.04 0.78 -1.05 0.00 0.00 178.16 177.50 3hrw h GLY 25 N -0.56 1.05 0.15 3.88 0.00 -1.61 0.37 103.07 106.34 3hrw h GLY 25 Ca -0.04 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.57 3hrw h GLY 25 CO 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 176.54 176.04 3hrw h ALA 26 N 1.94 0.35 -0.02 3.60 0.00 -1.45 0.43 119.26 124.11 3hrw h ALA 26 Ca 0.54 0.16 -0.24 0.00 0.00 0.00 0.00 54.91 55.37 3hrw h ALA 26 Cb 1.03 0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.13 3hrw h ALA 26 CO -0.91 -0.43 -0.95 1.05 0.00 0.00 0.00 179.25 178.01 3hrw h GLU 27 N 0.04 0.59 -0.56 0.00 4.11 -0.00 -2.98 114.58 115.76 3hrw h GLU 27 Ca 0.22 -0.60 0.11 0.00 0.07 0.00 0.00 59.36 59.17 3hrw h GLU 27 Cb 0.34 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 3hrw h GLU 27 CO -0.43 1.21 -0.12 0.00 0.07 0.00 0.00 179.01 179.74 3hrw h ALA 28 N 0.58 0.40 -0.63 1.06 0.00 -0.39 0.20 119.26 120.48 3hrw h ALA 28 Ca -0.10 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3hrw h ALA 28 Cb 1.59 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 3hrw h ALA 28 CO 0.18 -0.43 0.19 -0.07 0.00 0.00 0.00 179.25 179.12 3hrw h LEU 29 N 0.02 0.12 -0.49 0.00 3.38 -0.84 0.13 115.31 117.62 3hrw h LEU 29 Ca 0.27 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.38 3hrw h LEU 29 Cb 0.42 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3hrw h LEU 29 CO -0.57 0.06 0.27 -0.08 0.09 0.00 0.00 178.44 178.22 3hrw h GLU 30 N 0.33 0.52 0.05 1.13 4.81 -0.60 -0.86 114.58 119.97 3hrw h GLU 30 Ca 0.33 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 3hrw h GLU 30 Cb 0.48 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3hrw h GLU 30 CO -0.38 0.35 -0.26 0.00 -0.73 0.00 0.00 179.01 177.99 3hrw h ARG 31 N 0.54 -0.41 -0.06 1.92 3.08 0.14 0.18 114.38 119.77 3hrw h ARG 31 Ca 0.20 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.29 3hrw h ARG 31 Cb 0.06 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3hrw h ARG 31 CO -0.11 -0.27 -0.06 1.98 -1.07 0.00 0.00 179.97 180.43 3hrw h MET 32 N -0.43 -0.03 -0.95 0.04 4.05 -0.32 2.08 114.93 119.37 3hrw h MET 32 Ca 0.05 0.00 0.27 0.00 -0.28 0.00 0.00 59.70 59.75 3hrw h MET 32 Cb 0.49 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.26 3hrw h MET 32 CO -0.20 -0.02 0.71 0.74 0.23 0.00 0.00 176.91 178.37 3hrw h PHE 33 N -0.03 0.00 0.07 1.39 0.04 -0.75 2.83 116.94 120.48 3hrw h PHE 33 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3hrw h PHE 33 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3hrw h PHE 33 CO -0.70 0.00 -0.03 0.00 -0.60 0.00 0.00 178.31 176.98 3hrw h ALA 34 N 1.47 -0.09 -0.33 2.45 0.00 0.14 -3.32 119.26 119.58 3hrw h ALA 34 Ca 0.45 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3hrw h ALA 34 Cb 1.86 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3hrw h ALA 34 CO -0.00 -0.13 -0.12 0.77 0.00 0.00 0.00 179.25 179.77 3hrw h SER 35 N -0.94 0.68 -3.69 0.00 0.02 0.86 -3.38 113.55 107.10 3hrw h SER 35 Ca -0.01 -0.39 -0.62 0.00 -0.84 0.00 0.00 61.79 59.93 3hrw h SER 35 Cb 0.54 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 62.49 3hrw h SER 35 CO 0.02 0.91 -0.71 -0.36 -1.14 0.00 0.00 176.83 175.55 3hrw s PHE 36 N -4.69 2.52 0.14 3.45 0.08 0.89 -4.98 117.98 115.39 3hrw s PHE 36 Ca -0.13 -2.59 -0.19 0.00 0.12 0.00 0.00 56.93 54.15 3hrw s PHE 36 Cb 0.09 -2.26 -0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3hrw s PHE 36 CO 0.80 -0.82 1.72 -1.35 -0.10 0.00 0.00 175.22 175.48 3hrw h PRO 37 N 7.05 0.09 0.00 0.24 0.11 -1.73 -2.75 132.00 135.01 3hrw h PRO 37 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3hrw h PRO 37 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hrw h PRO 37 CO 0.54 0.06 0.10 0.00 -0.21 0.00 0.00 178.00 178.49 3hrw h THR 38 N 0.09 0.00 -0.26 -1.15 1.03 -1.94 0.54 112.91 111.23 3hrw h THR 38 Ca 0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.45 3hrw h THR 38 Cb 0.14 0.53 -0.01 0.00 -1.07 0.00 0.00 68.15 67.73 3hrw h THR 38 CO -0.18 0.00 -0.13 0.74 -0.01 0.00 0.00 175.52 175.94 3hrw h THR 39 N 0.00 1.22 -1.01 0.00 2.02 -1.85 -2.70 112.91 110.59 3hrw h THR 39 Ca 0.00 -0.97 0.30 0.00 0.77 0.00 0.00 66.41 66.52 3hrw h THR 39 Cb 0.19 1.16 -0.14 0.00 -1.74 0.00 0.00 68.15 67.63 3hrw h THR 39 CO 0.00 0.31 0.59 0.11 0.37 0.00 0.00 175.52 176.90 3hrw h LYS 40 N 0.40 0.38 0.00 6.66 1.57 -1.05 -2.09 116.57 122.44 3hrw h LYS 40 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hrw h LYS 40 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hrw h LYS 40 CO 0.03 0.25 0.00 2.41 -0.57 0.00 0.00 179.45 181.57 3hrw n THR 41 N -4.99 0.00 1.27 -0.16 -1.04 -1.02 0.67 114.28 109.02 3hrw n THR 41 Ca 0.30 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.45 3hrw n THR 41 Cb 0.93 -0.59 0.41 0.00 -1.82 0.00 0.00 70.33 69.26 3hrw n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hrw n TYR 42 N -0.85 0.00 -3.21 -1.42 4.01 -0.79 -4.36 117.16 110.54 3hrw n TYR 42 Ca 0.09 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.59 3hrw n TYR 42 Cb 0.04 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 38.88 3hrw n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3hrw n PHE 43 N -0.64 0.50 0.05 -0.72 3.72 0.21 -4.93 117.46 115.65 3hrw n PHE 43 Ca 0.13 -3.71 -0.04 0.00 -0.05 0.00 0.00 57.45 53.77 3hrw n PHE 43 Cb 0.34 -0.40 0.17 0.00 -0.94 0.00 0.00 39.48 38.65 3hrw n PHE 43 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3hrw h PRO 44 N 3.79 0.38 0.09 -1.08 0.11 -1.76 -3.27 132.00 130.26 3hrw h PRO 44 Ca 0.10 -0.19 -0.26 0.00 0.11 0.00 0.00 66.00 65.75 3hrw h PRO 44 Cb 0.85 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.97 3hrw h PRO 44 CO 0.54 0.73 -1.15 1.12 -0.21 0.00 0.00 178.00 179.03 3hrw h HIS 45 N 0.32 0.65 -3.76 0.65 2.07 -1.93 -3.45 115.15 109.69 3hrw h HIS 45 Ca 0.03 -0.42 -0.55 0.00 -2.85 0.00 0.00 60.37 56.58 3hrw h HIS 45 Cb 0.87 -0.05 0.12 0.00 2.57 0.00 0.00 27.41 30.92 3hrw h HIS 45 CO 0.02 1.28 0.65 1.19 -3.07 0.00 0.00 177.93 178.00 3hrw n PHE 46 N -3.66 2.61 -2.72 6.12 3.01 -1.24 -5.00 117.46 116.58 3hrw n PHE 46 Ca -0.09 0.47 -0.42 0.00 1.01 0.00 0.00 57.45 58.42 3hrw n PHE 46 Cb 0.95 -2.46 -0.04 0.00 -0.01 0.00 0.00 39.48 37.93 3hrw n PHE 46 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3hrw s ASP 47 N -0.35 7.43 -0.07 4.37 3.68 -1.26 -4.99 116.67 125.48 3hrw s ASP 47 Ca 0.58 1.73 0.15 0.00 2.13 0.00 0.00 52.55 57.13 3hrw s ASP 47 Cb -0.49 -2.58 0.48 0.00 -1.45 0.00 0.00 42.92 38.88 3hrw s ASP 47 CO 0.60 -0.17 1.40 1.33 0.13 0.00 0.00 175.17 178.47 3hrw n VAL 48 N 3.35 1.51 -1.56 1.11 0.24 -1.26 -4.50 118.33 117.22 3hrw n VAL 48 Ca 0.04 -1.26 -0.33 0.00 -2.04 0.00 0.00 64.34 60.75 3hrw n VAL 48 Cb 0.50 0.23 0.07 0.00 -1.47 0.00 0.00 33.84 33.17 3hrw n VAL 48 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hrw s SER 49 N -1.21 4.75 0.29 -1.34 0.01 -1.26 -4.87 113.70 110.07 3hrw s SER 49 Ca 0.36 2.03 -0.02 0.00 1.31 0.00 0.00 55.95 59.64 3hrw s SER 49 Cb 0.23 -2.55 0.64 0.00 0.21 0.00 0.00 66.02 64.55 3hrw s SER 49 CO 0.17 -1.88 1.59 -0.74 0.41 0.00 0.00 173.24 172.79 3hrw h HIS 50 N -0.32 -0.10 -3.33 2.43 -0.00 -2.01 -3.31 115.15 108.50 3hrw h HIS 50 Ca -0.46 0.07 -0.63 0.00 -0.00 0.00 0.00 60.37 59.35 3hrw h HIS 50 Cb 1.25 0.19 -0.20 0.00 -0.00 0.00 0.00 27.41 28.65 3hrw h HIS 50 CO 0.54 -0.38 -0.64 0.20 -0.00 0.00 0.00 177.93 177.65 3hrw s GLY 51 N -4.15 1.77 -0.15 5.26 0.00 -1.26 -5.04 107.32 103.74 3hrw s GLY 51 Ca -0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.66 3hrw s GLY 51 CO 0.77 0.03 0.37 -0.45 0.00 0.00 0.00 173.10 173.82 3hrw s SER 52 N 0.51 -0.44 0.44 1.64 0.15 -1.25 -4.95 113.70 109.80 3hrw s SER 52 Ca -0.01 0.79 0.23 0.00 0.70 0.00 0.00 55.95 57.66 3hrw s SER 52 Cb -0.14 0.68 0.96 0.00 -1.71 0.00 0.00 66.02 65.81 3hrw s SER 52 CO 0.02 -0.18 1.85 0.00 1.20 0.00 0.00 173.24 176.13 3hrw h ALA 53 N 6.95 1.06 -0.03 5.45 0.00 -1.95 -2.25 119.26 128.50 3hrw h ALA 53 Ca -0.36 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 3hrw h ALA 53 Cb 1.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hrw h ALA 53 CO 0.31 0.30 -0.52 0.37 0.00 0.00 0.00 179.25 179.72 3hrw h GLN 54 N 0.00 0.39 0.02 0.00 4.15 -1.92 0.32 115.11 118.07 3hrw h GLN 54 Ca -0.00 -0.39 -0.21 0.00 0.77 0.00 0.00 58.65 58.82 3hrw h GLN 54 Cb 0.71 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 3hrw h GLN 54 CO 0.03 1.05 -0.95 -0.39 -1.93 0.00 0.00 178.83 176.64 3hrw h VAL 55 N -0.12 1.54 0.00 2.39 -1.51 -1.79 -2.25 116.25 114.51 3hrw h VAL 55 Ca -0.06 -2.84 -0.04 0.00 -1.23 0.00 0.00 66.70 62.53 3hrw h VAL 55 Cb 1.21 2.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.98 3hrw h VAL 55 CO 0.10 0.82 -0.20 0.50 -1.23 0.00 0.00 177.57 177.56 3hrw h LYS 56 N 0.08 0.00 -0.05 5.19 3.64 -1.45 -0.25 116.57 123.73 3hrw h LYS 56 Ca -0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3hrw h LYS 56 Cb 1.62 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3hrw h LYS 56 CO 0.14 0.20 -0.09 0.78 -2.27 0.00 0.00 179.45 178.22 3hrw h GLY 57 N 1.50 0.16 0.84 5.01 0.00 0.07 -3.02 103.07 107.63 3hrw h GLY 57 Ca -0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 47.33 46.90 3hrw h GLY 57 CO 0.03 0.16 -1.11 0.84 0.00 0.00 0.00 176.54 176.46 3hrw h HIS 58 N -0.35 0.67 -0.77 5.60 -0.00 -1.43 -3.37 115.15 115.49 3hrw h HIS 58 Ca 0.00 -0.49 0.16 0.00 -0.00 0.00 0.00 60.37 60.04 3hrw h HIS 58 Cb 0.65 -0.03 -0.15 0.00 -0.00 0.00 0.00 27.41 27.88 3hrw h HIS 58 CO 0.11 1.43 -0.19 0.78 -0.00 0.00 0.00 177.93 180.06 3hrw h GLY 59 N -0.14 0.57 0.52 5.26 0.00 -1.15 0.69 103.07 108.82 3hrw h GLY 59 Ca -0.20 0.25 0.12 0.00 0.00 0.00 0.00 47.33 47.50 3hrw h GLY 59 CO 0.18 -0.29 0.61 0.07 0.00 0.00 0.00 176.54 177.10 3hrw h LYS 60 N 0.00 0.88 0.00 4.80 2.10 -1.63 0.38 116.57 123.10 3hrw h LYS 60 Ca 0.37 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.89 3hrw h LYS 60 Cb 0.57 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 3hrw h LYS 60 CO -0.79 0.58 -0.37 0.87 -2.00 0.00 0.00 179.45 177.74 3hrw h LYS 61 N 0.90 0.00 0.60 0.07 6.56 -1.14 0.20 116.57 123.76 3hrw h LYS 61 Ca 0.47 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.04 3hrw h LYS 61 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 3hrw h LYS 61 CO -0.24 0.37 -0.33 0.28 -2.06 0.00 0.00 179.45 177.47 3hrw h VAL 62 N 0.00 0.00 -1.01 0.50 2.07 0.10 -2.44 116.25 115.48 3hrw h VAL 62 Ca -0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.65 3hrw h VAL 62 Cb 1.28 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 3hrw h VAL 62 CO 0.05 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.27 3hrw h ALA 63 N -1.50 1.56 0.15 1.67 0.00 -0.17 0.91 119.26 121.89 3hrw h ALA 63 Ca -0.08 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hrw h ALA 63 Cb 0.67 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3hrw h ALA 63 CO 0.11 0.16 -0.33 -0.44 0.00 0.00 0.00 179.25 178.75 3hrw h ASP 64 N 0.94 -0.95 -0.81 0.00 5.19 -0.67 -1.61 116.42 118.51 3hrw h ASP 64 Ca 0.52 0.11 0.13 0.00 -0.62 0.00 0.00 57.03 57.16 3hrw h ASP 64 Cb 0.59 0.35 -0.09 0.00 0.18 0.00 0.00 39.33 40.37 3hrw h ASP 64 CO -0.29 -0.43 0.40 0.00 -3.12 0.00 0.00 179.24 175.80 3hrw h ALA 65 N 0.03 1.18 -0.29 3.45 0.00 -0.30 0.99 119.26 124.33 3hrw h ALA 65 Ca 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hrw h ALA 65 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hrw h ALA 65 CO -0.17 -0.08 -0.23 -0.07 0.00 0.00 0.00 179.25 178.69 3hrw h LEU 66 N 0.61 0.71 -1.53 0.00 3.38 -1.52 -1.58 115.31 115.37 3hrw h LEU 66 Ca 0.43 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3hrw h LEU 66 Cb 0.57 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3hrw h LEU 66 CO -0.34 1.01 0.38 0.00 0.09 0.00 0.00 178.44 179.58 3hrw h ALA 67 N 0.72 1.79 -0.47 1.53 0.00 0.99 0.72 119.26 124.54 3hrw h ALA 67 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hrw h ALA 67 Cb 0.79 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hrw h ALA 67 CO 0.06 0.12 -0.11 1.03 0.00 0.00 0.00 179.25 180.35 3hrw h SER 68 N 0.59 0.91 -0.81 0.00 0.87 0.96 -3.18 113.55 112.89 3hrw h SER 68 Ca 0.24 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3hrw h SER 68 Cb 0.22 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 3hrw h SER 68 CO -0.07 1.06 0.46 0.00 -0.53 0.00 0.00 176.83 177.75 3hrw h ALA 69 N 0.88 1.04 0.00 6.23 0.00 0.13 -1.94 119.26 125.59 3hrw h ALA 69 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hrw h ALA 69 Cb 0.66 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hrw h ALA 69 CO 0.05 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3hrw n ALA 70 N -2.37 1.35 0.21 0.00 0.00 0.98 -1.62 120.51 119.05 3hrw n ALA 70 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.53 3hrw n ALA 70 Cb 0.08 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.49 3hrw n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrw n GLY 71 N -0.91 -0.20 2.51 0.00 0.00 -0.74 -4.77 105.19 101.08 3hrw n GLY 71 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3hrw n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hrw n HIS 72 N 0.33 -1.15 0.74 1.61 8.25 -0.64 -4.98 115.22 119.38 3hrw n HIS 72 Ca 0.04 -2.83 0.13 0.00 -0.26 0.00 0.00 57.72 54.80 3hrw n HIS 72 Cb 0.20 0.59 0.42 0.00 1.12 0.00 0.00 29.99 32.33 3hrw n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hrw n LEU 73 N 0.16 0.56 0.14 2.41 4.32 -1.22 -3.06 117.00 120.30 3hrw n LEU 73 Ca 0.12 0.48 -0.01 0.00 -0.02 0.00 0.00 56.01 56.58 3hrw n LEU 73 Cb 0.72 -0.35 0.22 0.00 -1.62 0.00 0.00 43.42 42.39 3hrw n LEU 73 CO 0.12 -0.10 0.58 0.44 -1.22 0.00 0.00 177.39 177.21 3hrw h ASP 74 N 0.00 0.07 -2.64 -1.43 5.19 -1.93 -3.38 116.42 112.30 3hrw h ASP 74 Ca 0.00 -0.03 -0.29 0.00 -0.62 0.00 0.00 57.03 56.09 3hrw h ASP 74 Cb 0.66 -0.02 -0.35 0.00 0.18 0.00 0.00 39.33 39.80 3hrw h ASP 74 CO 0.00 0.58 -0.60 -0.62 -3.12 0.00 0.00 179.24 175.48 3hrw s ASP 75 N -6.88 1.04 -0.15 6.45 -1.08 -1.21 -5.03 116.67 109.80 3hrw s ASP 75 Ca -0.02 0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.17 3hrw s ASP 75 Cb 0.13 0.46 -0.24 0.00 -1.46 0.00 0.00 42.92 41.82 3hrw s ASP 75 CO 0.76 -0.30 0.25 0.18 0.52 0.00 0.00 175.17 176.58 3hrw n LEU 76 N 5.33 0.67 -0.17 -1.34 4.32 -1.17 -4.16 117.00 120.48 3hrw n LEU 76 Ca -0.05 0.13 -0.13 0.00 -0.02 0.00 0.00 56.01 55.94 3hrw n LEU 76 Cb 0.50 0.19 -0.09 0.00 -1.62 0.00 0.00 43.42 42.39 3hrw n LEU 76 CO 0.06 0.52 0.50 -0.65 -1.22 0.00 0.00 177.39 176.61 3hrw h PRO 77 N 0.00 -0.34 -1.10 3.23 0.10 -1.91 0.40 132.00 132.39 3hrw h PRO 77 Ca -0.46 0.02 0.31 0.00 0.10 0.00 0.00 66.00 65.97 3hrw h PRO 77 Cb 2.13 0.08 -0.11 0.00 0.10 0.00 0.00 31.00 33.20 3hrw h PRO 77 CO 0.04 -0.23 0.70 0.78 0.10 0.00 0.00 178.00 179.39 3hrw h GLY 78 N -0.35 1.35 0.00 -0.55 0.00 -1.97 0.29 103.07 101.85 3hrw h GLY 78 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3hrw h GLY 78 CO -0.63 -0.24 -0.06 0.00 0.00 0.00 0.00 176.54 175.62 3hrw h ALA 79 N 1.64 0.01 0.00 3.60 0.00 -1.50 -3.31 119.26 119.70 3hrw h ALA 79 Ca 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hrw h ALA 79 Cb 1.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3hrw h ALA 79 CO -0.36 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.20 3hrw n LEU 80 N -4.68 0.00 -0.27 0.00 4.77 0.13 -3.57 117.00 113.37 3hrw n LEU 80 Ca -0.06 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 3hrw n LEU 80 Cb 0.26 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.65 3hrw n LEU 80 CO 0.17 0.00 1.23 0.28 -1.33 0.00 0.00 177.39 177.74 3hrw h SER 81 N 0.00 0.79 0.41 -1.43 0.02 -0.54 -1.12 113.55 111.68 3hrw h SER 81 Ca 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3hrw h SER 81 Cb 0.00 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3hrw h SER 81 CO 0.00 0.48 -0.39 0.00 -1.14 0.00 0.00 176.83 175.78 3hrw h ALA 82 N 1.56 -1.08 0.00 3.77 0.00 -1.85 -2.01 119.26 119.65 3hrw h ALA 82 Ca 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hrw h ALA 82 Cb 0.36 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hrw h ALA 82 CO -0.16 -1.09 0.00 1.28 0.00 0.00 0.00 179.25 179.28 3hrw n LEU 83 N -4.76 0.00 -0.02 0.00 4.32 -0.59 -3.79 117.00 112.15 3hrw n LEU 83 Ca -0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.77 3hrw n LEU 83 Cb 0.36 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.05 3hrw n LEU 83 CO 0.21 0.00 0.50 -1.28 -1.22 0.00 0.00 177.39 175.60 3hrw h SER 84 N 0.00 -0.03 0.34 -1.43 0.87 -0.46 -3.07 113.55 109.77 3hrw h SER 84 Ca 0.00 -0.63 -0.13 0.00 -1.23 0.00 0.00 61.79 59.80 3hrw h SER 84 Cb 0.00 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3hrw h SER 84 CO 0.00 0.64 -1.78 -0.67 -0.53 0.00 0.00 176.83 174.49 3hrw n ASP 85 N -4.78 0.36 -0.28 6.23 2.03 -1.25 -3.85 116.55 115.01 3hrw n ASP 85 Ca -0.09 0.15 0.10 0.00 0.52 0.00 0.00 54.79 55.47 3hrw n ASP 85 Cb 0.33 1.04 0.24 0.00 -0.72 0.00 0.00 41.12 42.01 3hrw n ASP 85 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3hrw h LEU 86 N 0.00 0.05 0.00 -2.67 6.46 -1.66 0.59 115.31 118.08 3hrw h LEU 86 Ca -0.17 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3hrw h LEU 86 Cb 1.44 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 3hrw h LEU 86 CO 0.02 -0.08 -0.01 0.45 -0.62 0.00 0.00 178.44 178.20 3hrw h HIS 87 N 0.27 0.00 0.00 1.25 3.86 -1.68 0.14 115.15 118.99 3hrw h HIS 87 Ca 0.50 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.43 3hrw h HIS 87 Cb 0.93 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 3hrw h HIS 87 CO -0.25 0.00 -1.53 0.00 0.86 0.00 0.00 177.93 177.02 3hrw n ALA 88 N -1.95 0.87 -0.01 2.45 0.00 0.19 -1.46 120.51 120.59 3hrw n ALA 88 Ca 0.05 -0.61 -0.00 0.00 0.00 0.00 0.00 53.44 52.88 3hrw n ALA 88 Cb 0.48 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 3hrw n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hrw n HIS 89 N -4.38 0.00 0.01 0.00 8.25 -0.06 -4.05 115.22 115.00 3hrw n HIS 89 Ca -0.37 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.04 3hrw n HIS 89 Cb 0.73 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 3hrw n HIS 89 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3hrw h LYS 90 N 0.00 -0.13 0.00 -0.41 1.63 -1.61 -3.41 116.57 112.64 3hrw h LYS 90 Ca -0.05 0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.52 3hrw h LYS 90 Cb 0.80 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.42 3hrw h LYS 90 CO 0.00 0.14 -1.71 1.28 -3.45 0.00 0.00 179.45 175.72 3hrw n LEU 91 N -4.84 0.67 -3.60 5.20 4.32 0.48 -5.01 117.00 114.21 3hrw n LEU 91 Ca -0.04 0.30 -0.21 0.00 -0.02 0.00 0.00 56.01 56.04 3hrw n LEU 91 Cb 0.17 0.17 0.06 0.00 -1.62 0.00 0.00 43.42 42.21 3hrw n LEU 91 CO 0.13 0.27 0.09 0.54 -1.22 0.00 0.00 177.39 177.20 3hrw n ARG 92 N -2.88 -6.31 -2.84 3.23 1.74 -0.85 -4.96 116.66 103.79 3hrw n ARG 92 Ca -0.16 0.75 -0.40 0.00 -0.77 0.00 0.00 57.85 57.28 3hrw n ARG 92 Cb 0.94 -5.64 -0.05 0.00 -1.02 0.00 0.00 32.46 26.69 3hrw n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hrw s VAL 93 N -3.43 4.42 0.02 1.55 1.01 -0.54 -5.01 120.40 118.43 3hrw s VAL 93 Ca 0.20 1.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 3hrw s VAL 93 Cb -0.09 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3hrw s VAL 93 CO 0.76 0.42 1.45 -0.62 0.00 0.00 0.00 175.10 177.11 3hrw s ASP 94 N -0.54 6.80 0.46 3.32 2.15 -1.26 -4.91 116.67 122.69 3hrw s ASP 94 Ca 0.41 2.20 0.23 0.00 0.43 0.00 0.00 52.55 55.82 3hrw s ASP 94 Cb -0.23 -2.56 1.24 0.00 -0.30 0.00 0.00 42.92 41.07 3hrw s ASP 94 CO 0.28 -0.75 1.85 -0.65 -0.17 0.00 0.00 175.17 175.74 3hrw h PRO 95 N 7.85 0.24 -0.03 4.34 0.11 -1.98 -1.15 132.00 141.38 3hrw h PRO 95 Ca -0.39 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.71 3hrw h PRO 95 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hrw h PRO 95 CO 0.90 0.16 0.02 0.28 -0.21 0.00 0.00 178.00 179.16 3hrw h VAL 96 N 0.25 0.79 0.00 3.15 2.07 -2.03 -2.01 116.25 118.47 3hrw h VAL 96 Ca 0.47 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.91 3hrw h VAL 96 Cb 1.43 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3hrw h VAL 96 CO -0.13 0.00 -0.40 0.78 0.02 0.00 0.00 177.57 177.84 3hrw h ASN 97 N 0.00 0.00 -0.44 0.57 4.21 -1.60 -3.01 115.58 115.31 3hrw h ASN 97 Ca 0.01 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.42 3hrw h ASN 97 Cb 0.06 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 3hrw h ASN 97 CO -0.00 0.40 -0.12 -0.26 -1.29 0.00 0.00 177.43 176.15 3hrw h PHE 98 N 0.00 0.97 -0.02 1.19 0.04 -1.50 -1.28 116.94 116.35 3hrw h PHE 98 Ca -0.00 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 3hrw h PHE 98 Cb 0.79 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 3hrw h PHE 98 CO 0.00 0.97 -0.35 0.87 -0.60 0.00 0.00 178.31 179.20 3hrw h LYS 99 N 0.69 0.03 -0.50 1.51 1.57 -1.68 -1.59 116.57 116.59 3hrw h LYS 99 Ca 0.11 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3hrw h LYS 99 Cb 0.67 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 3hrw h LYS 99 CO 0.05 0.38 0.20 -0.07 -0.57 0.00 0.00 179.45 179.43 3hrw h LEU 100 N 0.03 0.22 0.11 2.94 4.07 -1.22 -2.35 115.31 119.11 3hrw h LEU 100 Ca 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3hrw h LEU 100 Cb 0.63 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.40 3hrw h LEU 100 CO 0.05 0.15 -0.05 0.25 -1.08 0.00 0.00 178.44 177.76 3hrw h LEU 101 N 0.39 -0.13 -0.67 1.67 6.46 -0.75 -2.91 115.31 119.37 3hrw h LEU 101 Ca 0.24 -0.32 0.09 0.00 -0.12 0.00 0.00 57.88 57.77 3hrw h LEU 101 Cb 0.24 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.09 3hrw h LEU 101 CO -0.23 0.27 -0.45 0.28 -0.62 0.00 0.00 178.44 177.69 3hrw h SER 102 N -0.54 -1.59 -0.83 1.25 0.02 -1.28 0.86 113.55 111.44 3hrw h SER 102 Ca -0.02 0.26 0.18 0.00 -0.84 0.00 0.00 61.79 61.38 3hrw h SER 102 Cb 0.44 0.73 -0.11 0.00 0.14 0.00 0.00 62.40 63.59 3hrw h SER 102 CO 0.02 -0.32 0.34 -0.74 -1.14 0.00 0.00 176.83 175.00 3hrw h HIS 103 N -0.18 0.58 -0.10 3.45 -0.00 -1.42 0.17 115.15 117.64 3hrw h HIS 103 Ca 0.19 0.04 -0.22 0.00 -0.00 0.00 0.00 60.37 60.39 3hrw h HIS 103 Cb 0.55 -0.13 0.01 0.00 -0.00 0.00 0.00 27.41 27.84 3hrw h HIS 103 CO -0.77 0.01 -0.80 0.00 -0.00 0.00 0.00 177.93 176.37 3hrw h LEU 105 N 0.41 0.99 -1.06 0.00 6.46 0.16 -1.11 115.31 121.16 3hrw h LEU 105 Ca -0.06 -0.17 -0.09 0.00 -0.12 0.00 0.00 57.88 57.44 3hrw h LEU 105 Cb 1.42 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 3hrw h LEU 105 CO 0.15 0.91 -0.38 -0.07 -0.62 0.00 0.00 178.44 178.44 3hrw h LEU 106 N 1.03 0.18 -0.75 2.25 3.38 -0.62 0.12 115.31 120.90 3hrw h LEU 106 Ca 0.23 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3hrw h LEU 106 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hrw h LEU 106 CO -0.01 0.55 -0.45 0.58 0.09 0.00 0.00 178.44 179.20 3hrw h VAL 107 N 0.15 0.98 0.36 1.22 2.07 -0.71 -2.87 116.25 117.45 3hrw h VAL 107 Ca 0.02 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 3hrw h VAL 107 Cb 0.74 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3hrw h VAL 107 CO 0.06 0.44 -0.17 0.74 0.02 0.00 0.00 177.57 178.65 3hrw h THR 108 N 0.00 0.40 -0.09 2.57 2.02 -0.74 -3.20 112.91 113.87 3hrw h THR 108 Ca -0.00 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.50 3hrw h THR 108 Cb 1.02 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3hrw h THR 108 CO 0.06 0.09 0.10 -0.07 0.37 0.00 0.00 175.52 176.06 3hrw h LEU 109 N -0.99 0.00 -0.54 2.58 3.38 -0.97 -1.39 115.31 117.38 3hrw h LEU 109 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hrw h LEU 109 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hrw h LEU 109 CO 0.08 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.30 3hrw n ALA 110 N -2.33 3.20 0.44 1.53 0.00 -1.09 -0.90 120.51 121.36 3hrw n ALA 110 Ca -0.01 -0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.11 3hrw n ALA 110 Cb 0.20 -1.08 0.18 0.00 0.00 0.00 0.00 19.45 18.75 3hrw n ALA 110 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hrw h SER 111 N 1.31 0.00 0.00 0.00 0.02 -1.24 -3.38 113.55 110.27 3hrw h SER 111 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3hrw h SER 111 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3hrw h SER 111 CO 0.00 0.05 -0.98 1.41 -1.14 0.00 0.00 176.83 176.17 3hrw n HIS 112 N -2.38 0.00 -3.05 3.45 -0.00 -1.16 -4.70 115.22 107.38 3hrw n HIS 112 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.54 3hrw n HIS 112 Cb 0.47 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 30.42 3hrw n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3hrw n HIS 113 N -1.50 1.80 -0.16 4.41 -0.00 -0.08 -4.94 115.22 114.75 3hrw n HIS 113 Ca -0.00 -3.83 0.20 0.00 -0.00 0.00 0.00 57.72 54.09 3hrw n HIS 113 Cb 0.02 -0.44 0.59 0.00 -0.00 0.00 0.00 29.99 30.16 3hrw n HIS 113 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hrw h PRO 114 N 2.98 0.24 -0.01 -0.41 0.11 -1.82 0.44 132.00 133.52 3hrw h PRO 114 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3hrw h PRO 114 Cb 0.80 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3hrw h PRO 114 CO 0.63 0.16 -0.34 0.00 -0.21 0.00 0.00 178.00 178.23 3hrw n ALA 115 N -2.58 3.27 0.24 -0.75 0.00 -1.26 -4.04 120.51 115.38 3hrw n ALA 115 Ca 0.16 -0.56 0.02 0.00 0.00 0.00 0.00 53.44 53.07 3hrw n ALA 115 Cb 0.69 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 3hrw n ALA 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hrw n ASP 116 N -0.11 0.54 -4.35 0.00 2.03 -0.08 -4.82 116.55 109.77 3hrw n ASP 116 Ca 0.11 -0.77 -0.43 0.00 0.52 0.00 0.00 54.79 54.22 3hrw n ASP 116 Cb 0.43 0.75 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 3hrw n ASP 116 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3hrw n PHE 117 N -0.76 4.43 -4.12 -0.67 7.35 0.13 -4.80 117.46 119.03 3hrw n PHE 117 Ca 0.02 -3.03 -0.23 0.00 -0.76 0.00 0.00 57.45 53.45 3hrw n PHE 117 Cb 0.09 -2.40 -0.05 0.00 0.35 0.00 0.00 39.48 37.48 3hrw n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hrw s THR 118 N 2.76 4.42 0.28 -2.13 -4.23 -1.26 -4.85 115.64 110.63 3hrw s THR 118 Ca 0.48 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3hrw s THR 118 Cb 0.04 -3.36 0.28 0.00 1.34 0.00 0.00 72.50 70.79 3hrw s THR 118 CO 0.02 -0.30 1.89 1.55 -0.54 0.00 0.00 174.62 177.24 3hrw h PRO 119 N 1.71 1.09 -0.45 3.99 0.13 -1.97 1.60 132.00 138.10 3hrw h PRO 119 Ca -0.48 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 3hrw h PRO 119 Cb 1.23 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 3hrw h PRO 119 CO 0.61 0.72 0.11 0.00 -0.23 0.00 0.00 178.00 179.22 3hrw h ALA 120 N 1.48 0.59 0.33 -0.56 0.00 -1.98 -1.37 119.26 117.75 3hrw h ALA 120 Ca 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hrw h ALA 120 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hrw h ALA 120 CO -0.17 0.27 -0.16 0.28 0.00 0.00 0.00 179.25 179.47 3hrw h VAL 121 N 0.60 0.58 -0.77 0.00 2.07 -1.33 -1.07 116.25 116.32 3hrw h VAL 121 Ca 0.14 -0.69 0.18 0.00 0.82 0.00 0.00 66.70 67.15 3hrw h VAL 121 Cb 0.31 0.87 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 3hrw h VAL 121 CO 0.00 0.11 0.03 -0.74 0.02 0.00 0.00 177.57 177.00 3hrw h HIS 122 N -0.88 -0.00 -0.13 1.57 6.17 0.22 0.58 115.15 122.68 3hrw h HIS 122 Ca -0.05 0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 3hrw h HIS 122 Cb 0.53 0.12 -0.00 0.00 2.52 0.00 0.00 27.41 30.57 3hrw h HIS 122 CO 0.03 -0.24 0.02 0.00 0.71 0.00 0.00 177.93 178.46 3hrw h ALA 123 N 1.72 0.17 -0.00 5.26 0.00 -1.23 -1.59 119.26 123.59 3hrw h ALA 123 Ca 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hrw h ALA 123 Cb 0.77 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hrw h ALA 123 CO -0.66 -0.18 0.02 0.77 0.00 0.00 0.00 179.25 179.19 3hrw h SER 124 N -0.02 0.00 0.17 0.00 0.02 0.32 -0.26 113.55 113.78 3hrw h SER 124 Ca 0.04 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.63 3hrw h SER 124 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3hrw h SER 124 CO 0.00 0.00 -1.91 -0.07 -1.14 0.00 0.00 176.83 173.71 3hrw h LEU 125 N 0.00 0.46 -0.49 5.07 4.07 -0.70 -2.77 115.31 120.94 3hrw h LEU 125 Ca 0.00 -0.91 0.04 0.00 0.08 0.00 0.00 57.88 57.10 3hrw h LEU 125 Cb 0.03 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.58 3hrw h LEU 125 CO -0.00 1.80 0.24 -0.78 -1.08 0.00 0.00 178.44 178.62 3hrw h ASP 126 N 0.08 0.34 -0.19 -0.43 3.58 -0.16 0.75 116.42 120.39 3hrw h ASP 126 Ca -0.39 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.13 3hrw h ASP 126 Cb 2.05 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 43.00 3hrw h ASP 126 CO 0.12 0.24 -0.45 0.11 -2.88 0.00 0.00 179.24 176.37 3hrw h LYS 127 N 0.47 -0.46 -0.44 0.28 1.57 -1.24 -0.52 116.57 116.22 3hrw h LYS 127 Ca 0.22 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 3hrw h LYS 127 Cb 0.14 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.46 3hrw h LYS 127 CO -0.16 -0.31 -0.40 0.35 -0.57 0.00 0.00 179.45 178.36 3hrw h PHE 128 N -0.48 -1.16 -0.48 -1.35 3.57 -0.57 0.60 116.94 117.06 3hrw h PHE 128 Ca 0.08 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3hrw h PHE 128 Cb 0.63 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 3hrw h PHE 128 CO -0.54 -0.42 0.25 -0.07 -2.23 0.00 0.00 178.31 175.30 3hrw h LEU 129 N -0.29 0.62 -0.49 0.59 3.38 -1.32 -2.33 115.31 115.48 3hrw h LEU 129 Ca 0.16 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.11 3hrw h LEU 129 Cb 0.57 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 3hrw h LEU 129 CO -0.59 0.56 -0.29 0.00 0.09 0.00 0.00 178.44 178.21 3hrw h ALA 130 N 1.09 -0.01 -0.80 1.53 0.00 0.18 1.55 119.26 122.80 3hrw h ALA 130 Ca 0.17 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3hrw h ALA 130 Cb 0.09 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3hrw h ALA 130 CO -0.02 -0.64 0.37 0.77 0.00 0.00 0.00 179.25 179.72 3hrw h SER 131 N -0.17 1.05 0.54 0.00 0.02 -1.03 0.13 113.55 114.09 3hrw h SER 131 Ca 0.21 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3hrw h SER 131 Cb 0.52 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3hrw h SER 131 CO -0.59 0.90 -0.26 0.58 -1.14 0.00 0.00 176.83 176.32 3hrw h VAL 132 N 1.14 0.13 -1.01 2.27 2.07 0.34 0.75 116.25 121.94 3hrw h VAL 132 Ca 0.27 -0.47 0.24 0.00 0.82 0.00 0.00 66.70 67.56 3hrw h VAL 132 Cb 0.14 0.20 -0.10 0.00 -1.52 0.00 0.00 31.29 30.01 3hrw h VAL 132 CO -0.03 0.03 0.63 0.28 0.02 0.00 0.00 177.57 178.50 3hrw h SER 133 N -1.14 0.57 0.27 0.57 0.02 0.20 1.09 113.55 115.13 3hrw h SER 133 Ca -0.07 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3hrw h SER 133 Cb 0.60 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3hrw h SER 133 CO 0.12 0.15 -0.13 0.74 -1.14 0.00 0.00 176.83 176.57 3hrw h THR 134 N 0.52 0.69 -0.90 -2.27 2.02 -0.55 -2.30 112.91 110.12 3hrw h THR 134 Ca 0.59 -0.78 0.14 0.00 0.77 0.00 0.00 66.41 67.13 3hrw h THR 134 Cb 1.26 1.06 -0.09 0.00 -1.74 0.00 0.00 68.15 68.64 3hrw h THR 134 CO -0.34 0.14 0.51 0.58 0.37 0.00 0.00 175.52 176.78 3hrw h VAL 135 N -0.83 0.78 -0.17 3.16 2.07 0.11 -2.14 116.25 119.24 3hrw h VAL 135 Ca -0.04 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3hrw h VAL 135 Cb 0.51 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3hrw h VAL 135 CO 0.06 0.13 0.07 0.25 0.02 0.00 0.00 177.57 178.11 3hrw h LEU 136 N 0.74 0.11 -1.79 2.57 5.85 0.12 -3.06 115.31 119.85 3hrw h LEU 136 Ca 0.48 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.21 3hrw h LEU 136 Cb 0.63 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3hrw h LEU 136 CO -0.33 0.09 0.00 0.35 -0.34 0.00 0.00 178.44 178.20 3hrw n THR 137 N -5.03 0.88 1.85 1.05 -2.24 -0.81 -4.15 114.28 105.83 3hrw n THR 137 Ca -0.04 -0.45 0.16 0.00 -2.27 0.00 0.00 64.05 61.45 3hrw n THR 137 Cb 0.05 -0.39 0.89 0.00 -2.10 0.00 0.00 70.33 68.78 3hrw n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hrw n SER 138 N 0.21 0.07 -0.20 3.42 3.41 -1.16 -3.20 113.62 116.16 3hrw n SER 138 Ca 0.09 -0.83 0.06 0.00 -0.26 0.00 0.00 58.87 57.94 3hrw n SER 138 Cb 0.54 -0.06 0.11 0.00 -0.26 0.00 0.00 64.21 64.55 3hrw n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hrw n LYS 139 N -1.02 2.13 -0.12 4.33 5.02 -1.26 -4.23 118.16 123.01 3hrw n LYS 139 Ca 0.22 -2.25 -0.23 0.00 -2.02 0.00 0.00 58.31 54.03 3hrw n LYS 139 Cb 0.15 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.70 3hrw n LYS 139 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hrw n TYR 140 N -0.89 0.36 0.00 2.13 0.53 -1.20 -4.71 117.16 113.38 3hrw n TYR 140 Ca 0.11 0.16 0.00 0.00 -1.02 0.00 0.00 57.90 57.15 3hrw n TYR 140 Cb 0.54 -0.95 0.00 0.00 -1.03 0.00 0.00 39.34 37.89 3hrw n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71