#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhr s LEU 2 N 0.00 2.81 0.90 7.52 1.02 -1.26 -5.14 118.68 124.52 3dhr s LEU 2 Ca 0.00 -0.96 -0.12 0.00 0.02 0.00 0.00 54.13 53.07 3dhr s LEU 2 Cb 0.00 -1.26 0.13 0.00 0.02 0.00 0.00 46.19 45.08 3dhr s LEU 2 CO 0.00 -0.05 1.12 -0.94 0.02 0.00 0.00 176.35 176.50 3dhr s SER 3 N -3.59 3.59 0.15 2.29 1.04 -1.26 -4.85 113.70 111.07 3dhr s SER 3 Ca 0.31 1.13 -0.14 0.00 0.48 0.00 0.00 55.95 57.73 3dhr s SER 3 Cb -0.03 -1.76 0.03 0.00 0.10 0.00 0.00 66.02 64.35 3dhr s SER 3 CO 0.17 -2.52 1.71 0.00 0.98 0.00 0.00 173.24 173.59 3dhr h ALA 4 N -1.47 0.63 -0.95 5.32 0.00 -2.02 -1.31 119.26 119.46 3dhr h ALA 4 Ca -0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3dhr h ALA 4 Cb 1.31 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3dhr h ALA 4 CO 0.60 0.22 0.58 -0.97 0.00 0.00 0.00 179.25 179.68 3dhr h ASN 5 N 0.64 1.14 -0.19 0.00 -1.24 -1.99 -1.11 115.58 112.83 3dhr h ASN 5 Ca 0.16 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 3dhr h ASN 5 Cb 0.17 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3dhr h ASN 5 CO -0.02 0.87 0.11 0.44 -1.29 0.00 0.00 177.43 177.54 3dhr h ASP 6 N 1.31 0.23 -0.63 1.15 3.32 -1.86 -0.71 116.42 119.23 3dhr h ASP 6 Ca 0.34 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.35 3dhr h ASP 6 Cb -0.06 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3dhr h ASP 6 CO -0.06 0.23 0.38 0.11 -1.72 0.00 0.00 179.24 178.18 3dhr h LYS 7 N 0.21 0.73 -0.37 3.56 1.57 -1.00 -0.74 116.57 120.53 3dhr h LYS 7 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3dhr h LYS 7 Cb 0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3dhr h LYS 7 CO -0.01 0.48 0.24 1.03 -0.57 0.00 0.00 179.45 180.61 3dhr h SER 8 N 0.75 0.43 -0.40 0.86 0.87 -1.06 -1.49 113.55 113.52 3dhr h SER 8 Ca 0.26 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3dhr h SER 8 Cb 0.04 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3dhr h SER 8 CO -0.11 0.33 0.26 0.78 -0.53 0.00 0.00 176.83 177.56 3dhr h ASN 9 N 0.49 0.44 -0.51 6.23 -0.26 -0.66 -0.91 115.58 120.41 3dhr h ASN 9 Ca 0.13 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.78 3dhr h ASN 9 Cb -0.03 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 3dhr h ASN 9 CO -0.03 0.32 -0.00 0.58 -1.06 0.00 0.00 177.43 177.24 3dhr h VAL 10 N 0.53 1.26 -0.19 2.81 2.07 -1.04 -1.36 116.25 120.33 3dhr h VAL 10 Ca 0.15 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3dhr h VAL 10 Cb -0.05 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3dhr h VAL 10 CO -0.04 0.38 -0.10 0.11 0.02 0.00 0.00 177.57 177.95 3dhr h LYS 11 N 0.77 0.30 -0.30 1.57 1.57 -1.16 -1.89 116.57 117.43 3dhr h LYS 11 Ca 0.14 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3dhr h LYS 11 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3dhr h LYS 11 CO 0.03 0.41 -0.29 0.00 -0.57 0.00 0.00 179.45 179.03 3dhr h ALA 12 N 1.62 0.94 0.06 3.86 0.00 -0.74 -2.27 119.26 122.73 3dhr h ALA 12 Ca 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3dhr h ALA 12 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dhr h ALA 12 CO 0.02 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 180.13 3dhr h VAL 13 N 0.53 1.13 0.00 0.00 2.07 -0.68 -2.86 116.25 116.45 3dhr h VAL 13 Ca 0.07 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3dhr h VAL 13 Cb 0.77 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3dhr h VAL 13 CO 0.06 0.16 -0.11 -0.26 0.02 0.00 0.00 177.57 177.44 3dhr h PHE 14 N -0.36 0.00 -0.22 1.57 0.04 -1.40 -1.35 116.94 115.23 3dhr h PHE 14 Ca -0.01 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 3dhr h PHE 14 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3dhr h PHE 14 CO 0.02 0.11 -0.41 0.00 -0.60 0.00 0.00 178.31 177.43 3dhr h ALA 15 N 1.89 0.35 -0.24 2.45 0.00 -1.46 -1.46 119.26 120.78 3dhr h ALA 15 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3dhr h ALA 15 Cb 0.86 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3dhr h ALA 15 CO 0.01 0.46 0.13 -0.22 0.00 0.00 0.00 179.25 179.63 3dhr h LYS 16 N 0.38 0.34 -0.41 0.00 1.63 -1.26 -3.00 116.57 114.24 3dhr h LYS 16 Ca 0.01 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3dhr h LYS 16 Cb 1.01 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 3dhr h LYS 16 CO 0.09 0.31 0.22 0.82 -3.45 0.00 0.00 179.45 177.44 3dhr h ILE 17 N 0.27 1.01 0.00 2.00 2.04 -1.28 -3.46 117.51 118.09 3dhr h ILE 17 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3dhr h ILE 17 Cb 0.07 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3dhr h ILE 17 CO -0.01 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.83 3dhr n GLY 18 N -1.22 3.58 0.00 5.37 0.00 -0.55 -1.68 105.19 110.69 3dhr n GLY 18 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 3dhr n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhr n GLY 19 N 0.00 -0.94 0.12 -0.02 0.00 -1.26 -3.29 105.19 99.80 3dhr n GLY 19 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3dhr n GLY 19 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dhr n GLN 20 N -0.97 0.59 -0.10 1.61 7.27 -0.68 -4.34 117.38 120.76 3dhr n GLN 20 Ca 0.21 -0.24 -0.06 0.00 0.07 0.00 0.00 57.00 56.98 3dhr n GLN 20 Cb 0.10 -1.50 0.01 0.00 2.41 0.00 0.00 30.24 31.26 3dhr n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dhr h ALA 21 N 3.52 0.15 -0.67 1.69 0.00 -1.70 -1.80 119.26 120.44 3dhr h ALA 21 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.18 3dhr h ALA 21 Cb 0.41 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 3dhr h ALA 21 CO 0.00 -0.51 0.17 0.78 0.00 0.00 0.00 179.25 179.68 3dhr h GLY 22 N -0.07 0.91 1.32 0.00 0.00 -1.88 0.12 103.07 103.46 3dhr h GLY 22 Ca 0.18 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 3dhr h GLY 22 CO -0.41 -0.14 -0.22 -0.55 0.00 0.00 0.00 176.54 175.22 3dhr h ASP 23 N 0.29 0.79 0.20 0.19 5.19 -1.70 -2.61 116.42 118.77 3dhr h ASP 23 Ca 0.36 -0.29 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 3dhr h ASP 23 Cb 0.57 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3dhr h ASP 23 CO -0.44 0.99 -0.43 -0.07 -3.12 0.00 0.00 179.24 176.17 3dhr h LEU 24 N 0.68 0.31 -0.77 1.55 3.38 -0.48 -2.32 115.31 117.67 3dhr h LEU 24 Ca 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3dhr h LEU 24 Cb 0.73 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3dhr h LEU 24 CO 0.06 0.71 0.40 1.23 0.09 0.00 0.00 178.44 180.93 3dhr h GLY 25 N 1.22 1.17 1.17 0.83 0.00 -0.63 -1.51 103.07 105.32 3dhr h GLY 25 Ca 0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3dhr h GLY 25 CO 0.07 0.53 -0.04 -1.33 0.00 0.00 0.00 176.54 175.77 3dhr h GLY 26 N 1.07 1.07 1.31 4.60 0.00 -1.27 -2.75 103.07 107.11 3dhr h GLY 26 Ca 0.27 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 3dhr h GLY 26 CO -0.04 0.73 -0.32 -2.09 0.00 0.00 0.00 176.54 174.82 3dhr h GLU 27 N 0.90 0.77 -0.79 4.80 4.81 -1.24 -2.17 114.58 121.66 3dhr h GLU 27 Ca 0.16 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3dhr h GLU 27 Cb 0.57 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3dhr h GLU 27 CO 0.03 0.98 0.34 0.00 -0.73 0.00 0.00 179.01 179.64 3dhr h ALA 28 N 0.99 1.11 -0.30 2.92 0.00 -1.22 -0.88 119.26 121.88 3dhr h ALA 28 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3dhr h ALA 28 Cb 0.85 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3dhr h ALA 28 CO 0.07 0.65 -0.09 -0.07 0.00 0.00 0.00 179.25 179.81 3dhr h LEU 29 N 1.14 0.60 -0.47 0.00 3.38 -1.43 -1.35 115.31 117.18 3dhr h LEU 29 Ca 0.27 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3dhr h LEU 29 Cb 0.17 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3dhr h LEU 29 CO -0.03 0.84 0.21 -0.08 0.09 0.00 0.00 178.44 179.48 3dhr h GLU 30 N 0.36 0.41 -0.29 1.13 4.81 -1.09 -0.74 114.58 119.17 3dhr h GLU 30 Ca 0.07 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3dhr h GLU 30 Cb 0.59 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3dhr h GLU 30 CO 0.03 0.27 -0.07 0.00 -0.73 0.00 0.00 179.01 178.52 3dhr h ARG 31 N 0.42 0.46 0.05 1.92 3.08 -1.15 -2.37 114.38 116.80 3dhr h ARG 31 Ca 0.21 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3dhr h ARG 31 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dhr h ARG 31 CO -0.17 0.54 -0.02 1.25 -1.07 0.00 0.00 179.97 180.50 3dhr h LEU 32 N 0.44 -0.05 -0.97 3.04 5.85 -0.19 -1.96 115.31 121.46 3dhr h LEU 32 Ca 0.09 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3dhr h LEU 32 Cb 0.39 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3dhr h LEU 32 CO 0.02 0.16 -0.25 -0.26 -0.34 0.00 0.00 178.44 177.77 3dhr h PHE 33 N -0.27 0.50 0.10 1.25 0.04 -1.07 -0.09 116.94 117.41 3dhr h PHE 33 Ca -0.01 -0.10 -0.25 0.00 2.80 0.00 0.00 57.97 60.41 3dhr h PHE 33 Cb 0.24 -0.12 0.02 0.00 2.20 0.00 0.00 35.95 38.29 3dhr h PHE 33 CO -0.01 0.67 -1.03 0.97 -0.60 0.00 0.00 178.31 178.31 3dhr h ILE 34 N 0.40 1.36 0.16 -0.55 2.10 -1.46 -3.17 117.51 116.35 3dhr h ILE 34 Ca 0.06 -2.40 -0.29 0.00 1.08 0.00 0.00 64.86 63.31 3dhr h ILE 34 Cb 0.65 2.79 0.01 0.00 -1.09 0.00 0.00 36.82 39.18 3dhr h ILE 34 CO 0.05 0.71 -1.30 0.71 -1.08 0.00 0.00 178.15 177.24 3dhr h THR 35 N 0.06 1.44 -2.75 2.19 1.35 -1.36 -3.39 112.91 110.46 3dhr h THR 35 Ca -0.16 -2.98 -0.61 0.00 -0.55 0.00 0.00 66.41 62.11 3dhr h THR 35 Cb 1.74 2.96 -0.41 0.00 -1.73 0.00 0.00 68.15 70.71 3dhr h THR 35 CO 0.20 0.88 -0.65 -1.22 -0.25 0.00 0.00 175.52 174.47 3dhr n TYR 36 N -3.57 2.64 0.33 4.73 4.01 -0.05 -4.98 117.16 120.27 3dhr n TYR 36 Ca -0.10 -4.12 0.22 0.00 -0.16 0.00 0.00 57.90 53.74 3dhr n TYR 36 Cb 1.04 -0.48 1.15 0.00 -0.31 0.00 0.00 39.34 40.74 3dhr n TYR 36 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3dhr h PRO 37 N 5.08 0.00 -0.44 -0.72 0.11 -1.74 -2.09 132.00 132.21 3dhr h PRO 37 Ca 0.17 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.38 3dhr h PRO 37 Cb 0.76 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3dhr h PRO 37 CO 0.69 0.00 0.30 1.96 -0.21 0.00 0.00 178.00 180.74 3dhr h GLN 38 N 0.00 0.16 0.00 1.05 4.20 -1.92 -2.47 115.11 116.13 3dhr h GLN 38 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3dhr h GLN 38 Cb 0.06 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3dhr h GLN 38 CO 0.00 0.10 0.00 1.79 -0.67 0.00 0.00 178.83 180.05 3dhr h THR 39 N 0.16 0.00 -0.11 -0.54 1.35 -1.71 -2.98 112.91 109.08 3dhr h THR 39 Ca 0.20 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 3dhr h THR 39 Cb 0.60 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3dhr h THR 39 CO -0.03 0.00 -0.01 0.11 -0.25 0.00 0.00 175.52 175.34 3dhr h LYS 40 N 0.00 0.16 -0.17 4.72 1.57 -1.65 -2.91 116.57 118.28 3dhr h LYS 40 Ca 0.00 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3dhr h LYS 40 Cb 0.39 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3dhr h LYS 40 CO 0.00 0.19 0.28 1.79 -0.57 0.00 0.00 179.45 181.14 3dhr h THR 41 N 0.16 0.27 0.00 -0.16 1.35 -1.73 -0.12 112.91 112.67 3dhr h THR 41 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3dhr h THR 41 Cb 0.13 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3dhr h THR 41 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 3dhr n TYR 42 N -3.46 0.31 -3.38 4.73 4.01 -1.10 -4.28 117.16 114.00 3dhr n TYR 42 Ca 0.02 0.09 -0.30 0.00 -0.16 0.00 0.00 57.90 57.56 3dhr n TYR 42 Cb 0.39 -0.65 -0.07 0.00 -0.31 0.00 0.00 39.34 38.70 3dhr n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3dhr n PHE 43 N -1.76 3.45 -0.13 -0.72 3.72 -0.06 -4.99 117.46 116.98 3dhr n PHE 43 Ca 0.06 -3.93 -0.04 0.00 -0.05 0.00 0.00 57.45 53.49 3dhr n PHE 43 Cb 0.35 -0.67 0.03 0.00 -0.94 0.00 0.00 39.48 38.25 3dhr n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dhr h PRO 44 N 4.42 0.08 -1.03 -1.08 0.13 -1.78 -2.92 132.00 129.82 3dhr h PRO 44 Ca 0.20 -0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.72 3dhr h PRO 44 Cb 0.66 -0.02 -0.38 0.00 0.13 0.00 0.00 31.00 31.39 3dhr h PRO 44 CO 0.91 0.05 -0.22 0.72 -0.23 0.00 0.00 178.00 179.23 3dhr n HIS 45 N -5.23 3.00 -3.80 1.56 8.25 -1.26 -5.01 115.22 112.73 3dhr n HIS 45 Ca 0.03 -2.58 -0.35 0.00 -0.26 0.00 0.00 57.72 54.56 3dhr n HIS 45 Cb 0.23 -0.65 -0.08 0.00 1.12 0.00 0.00 29.99 30.61 3dhr n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dhr s PHE 46 N -3.69 3.44 -0.35 4.41 0.08 -1.11 -5.05 117.98 115.72 3dhr s PHE 46 Ca 0.54 0.36 -0.29 0.00 0.12 0.00 0.00 56.93 57.66 3dhr s PHE 46 Cb 0.44 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3dhr s PHE 46 CO -0.05 0.40 1.31 0.34 -0.10 0.00 0.00 175.22 177.12 3dhr s ASP 47 N -0.03 6.59 -0.19 1.36 -1.08 -1.26 -4.90 116.67 117.17 3dhr s ASP 47 Ca 0.10 1.03 0.16 0.00 -0.52 0.00 0.00 52.55 53.32 3dhr s ASP 47 Cb -0.11 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.24 3dhr s ASP 47 CO -0.00 -1.18 1.33 0.18 0.52 0.00 0.00 175.17 176.01 3dhr n LEU 48 N 7.92 3.34 -4.84 -1.34 4.77 -1.26 -4.31 117.00 121.29 3dhr n LEU 48 Ca 0.15 -3.25 -0.30 0.00 -0.03 0.00 0.00 56.01 52.57 3dhr n LEU 48 Cb 0.47 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3dhr n LEU 48 CO 0.66 0.85 0.72 -0.94 -1.33 0.00 0.00 177.39 177.35 3dhr s SER 49 N -2.46 5.16 0.17 -1.43 1.04 -1.26 -4.97 113.70 109.95 3dhr s SER 49 Ca 0.39 1.35 -0.33 0.00 0.48 0.00 0.00 55.95 57.84 3dhr s SER 49 Cb 0.34 -2.18 -0.14 0.00 0.10 0.00 0.00 66.02 64.14 3dhr s SER 49 CO 0.04 -1.55 1.57 1.57 0.98 0.00 0.00 173.24 175.85 3dhr n HIS 50 N -3.17 2.31 -1.13 5.02 -0.00 -1.26 -2.39 115.22 114.60 3dhr n HIS 50 Ca 0.07 0.27 -0.05 0.00 0.46 0.00 0.00 57.72 58.47 3dhr n HIS 50 Cb 0.56 -2.55 -0.02 0.00 -0.12 0.00 0.00 29.99 27.86 3dhr n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3dhr n GLY 51 N 3.32 0.73 3.75 1.57 0.00 -1.26 -5.01 105.19 108.29 3dhr n GLY 51 Ca 0.16 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 3dhr n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dhr s SER 52 N -2.87 5.12 0.53 1.61 0.01 -1.00 -4.90 113.70 112.20 3dhr s SER 52 Ca 0.00 2.76 0.31 0.00 1.31 0.00 0.00 55.95 60.33 3dhr s SER 52 Cb 0.00 -2.63 1.40 0.00 0.21 0.00 0.00 66.02 64.99 3dhr s SER 52 CO 0.00 -1.67 2.01 0.00 0.41 0.00 0.00 173.24 173.99 3dhr h ALA 53 N 1.28 1.06 0.21 1.44 0.00 -1.92 -2.43 119.26 118.91 3dhr h ALA 53 Ca -0.51 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.01 3dhr h ALA 53 Cb 1.31 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.11 3dhr h ALA 53 CO 0.56 0.10 -1.47 1.96 0.00 0.00 0.00 179.25 180.41 3dhr h GLN 54 N 0.00 0.44 -0.10 0.00 4.20 -1.91 -1.46 115.11 116.28 3dhr h GLN 54 Ca -0.00 -0.76 -0.01 0.00 0.06 0.00 0.00 58.65 57.94 3dhr h GLN 54 Cb 0.48 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 3dhr h GLN 54 CO 0.01 1.36 0.02 0.82 -0.67 0.00 0.00 178.83 180.38 3dhr h ILE 55 N 0.02 1.20 -0.54 2.54 2.04 -1.74 0.18 117.51 121.21 3dhr h ILE 55 Ca -0.27 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.00 3dhr h ILE 55 Cb 2.04 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 3dhr h ILE 55 CO 0.21 0.18 0.31 0.11 0.00 0.00 0.00 178.15 178.96 3dhr h LYS 56 N -0.04 0.59 0.12 2.37 1.57 -1.56 0.53 116.57 120.15 3dhr h LYS 56 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3dhr h LYS 56 Cb 0.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3dhr h LYS 56 CO 0.00 0.39 -0.06 0.78 -0.57 0.00 0.00 179.45 179.99 3dhr h GLY 57 N 0.61 -0.17 1.80 3.86 0.00 -1.18 -2.59 103.07 105.40 3dhr h GLY 57 Ca 0.23 0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.50 3dhr h GLY 57 CO -0.12 -0.06 -0.47 0.84 0.00 0.00 0.00 176.54 176.73 3dhr h HIS 58 N -0.24 0.26 -0.65 5.60 -0.00 -0.48 -3.13 115.15 116.51 3dhr h HIS 58 Ca -0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.27 3dhr h HIS 58 Cb 0.20 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 3dhr h HIS 58 CO -0.04 0.65 0.39 0.78 -0.00 0.00 0.00 177.93 179.71 3dhr h GLY 59 N 1.31 0.94 1.02 5.26 0.00 0.12 -1.74 103.07 109.98 3dhr h GLY 59 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3dhr h GLY 59 CO 0.07 0.38 0.41 1.70 0.00 0.00 0.00 176.54 179.10 3dhr h LYS 60 N 0.88 1.14 -0.31 4.80 3.64 -1.43 -0.81 116.57 124.48 3dhr h LYS 60 Ca 0.23 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3dhr h LYS 60 Cb -0.03 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3dhr h LYS 60 CO -0.04 0.86 0.20 0.87 -2.27 0.00 0.00 179.45 179.07 3dhr h LYS 61 N 1.13 0.41 -0.59 1.90 1.57 -1.43 0.24 116.57 119.80 3dhr h LYS 61 Ca 0.28 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3dhr h LYS 61 Cb 0.07 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3dhr h LYS 61 CO -0.04 0.28 0.27 0.28 -0.57 0.00 0.00 179.45 179.67 3dhr h VAL 62 N 0.42 1.22 -0.48 0.50 2.07 -1.13 -2.69 116.25 116.16 3dhr h VAL 62 Ca 0.11 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 3dhr h VAL 62 Cb -0.04 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3dhr h VAL 62 CO -0.02 0.25 0.07 0.00 0.02 0.00 0.00 177.57 177.89 3dhr h ALA 63 N 1.11 0.64 -0.19 1.67 0.00 -0.92 -2.52 119.26 119.04 3dhr h ALA 63 Ca 0.20 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dhr h ALA 63 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dhr h ALA 63 CO -0.02 0.38 -0.15 0.93 0.00 0.00 0.00 179.25 180.39 3dhr h GLU 64 N 0.67 0.32 -0.30 0.00 5.08 -0.89 -0.63 114.58 118.83 3dhr h GLU 64 Ca 0.14 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3dhr h GLU 64 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3dhr h GLU 64 CO 0.01 0.47 -0.39 0.00 -1.00 0.00 0.00 179.01 178.10 3dhr h ALA 65 N 1.55 0.76 -0.43 3.43 0.00 -1.33 -0.96 119.26 122.29 3dhr h ALA 65 Ca 0.06 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3dhr h ALA 65 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dhr h ALA 65 CO 0.03 0.66 -0.29 -0.07 0.00 0.00 0.00 179.25 179.57 3dhr h LEU 66 N 0.58 0.99 -0.54 0.00 3.38 -1.01 -1.48 115.31 117.22 3dhr h LEU 66 Ca 0.05 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3dhr h LEU 66 Cb 0.92 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3dhr h LEU 66 CO 0.08 1.20 0.25 0.58 0.09 0.00 0.00 178.44 180.64 3dhr h VAL 67 N 0.80 1.21 -0.71 1.22 2.07 -1.06 -0.87 116.25 118.91 3dhr h VAL 67 Ca 0.09 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3dhr h VAL 67 Cb 0.87 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3dhr h VAL 67 CO 0.08 0.24 0.25 -0.33 0.02 0.00 0.00 177.57 177.83 3dhr h GLU 68 N 0.73 1.08 -0.29 1.57 4.39 -1.10 -0.67 114.58 120.29 3dhr h GLU 68 Ca 0.18 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3dhr h GLU 68 Cb 0.14 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3dhr h GLU 68 CO -0.02 0.91 -0.12 0.00 -1.16 0.00 0.00 179.01 178.62 3dhr h ALA 69 N 1.12 1.26 -0.36 3.43 0.00 -1.10 -1.72 119.26 121.89 3dhr h ALA 69 Ca 0.23 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3dhr h ALA 69 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dhr h ALA 69 CO -0.01 0.49 -0.36 0.00 0.00 0.00 0.00 179.25 179.37 3dhr h ALA 70 N 1.42 0.69 0.00 0.00 0.00 -0.74 -2.24 119.26 118.39 3dhr h ALA 70 Ca 0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3dhr h ALA 70 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dhr h ALA 70 CO 0.03 0.67 -0.14 -0.91 0.00 0.00 0.00 179.25 178.89 3dhr h ASN 71 N 0.69 0.00 -1.25 0.00 2.35 -0.89 -3.19 115.58 113.28 3dhr h ASN 71 Ca 0.07 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.26 3dhr h ASN 71 Cb 0.92 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.87 3dhr h ASN 71 CO 0.08 0.14 -0.80 1.41 -1.65 0.00 0.00 177.43 176.62 3dhr n HIS 72 N -3.26 3.02 0.24 1.19 8.25 -0.67 -4.89 115.22 119.10 3dhr n HIS 72 Ca 0.01 -2.84 0.09 0.00 -0.26 0.00 0.00 57.72 54.72 3dhr n HIS 72 Cb 0.41 -0.17 0.61 0.00 1.12 0.00 0.00 29.99 31.96 3dhr n HIS 72 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3dhr h ILE 73 N 2.59 0.86 0.00 1.59 2.10 -1.40 -0.69 117.51 122.57 3dhr h ILE 73 Ca 0.28 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3dhr h ILE 73 Cb 1.11 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 3dhr h ILE 73 CO 0.78 0.15 0.00 0.44 -1.08 0.00 0.00 178.15 178.45 3dhr h ASP 74 N 0.00 0.00 -1.32 2.19 3.32 -1.90 -3.36 116.42 115.36 3dhr h ASP 74 Ca -0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 3dhr h ASP 74 Cb 0.33 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.58 3dhr h ASP 74 CO 0.02 0.00 -0.89 -0.67 -1.72 0.00 0.00 179.24 175.98 3dhr n ASP 75 N -2.62 -0.94 -0.14 6.45 2.03 -0.29 -4.99 116.55 116.07 3dhr n ASP 75 Ca 0.02 -2.90 -0.12 0.00 0.52 0.00 0.00 54.79 52.32 3dhr n ASP 75 Cb 0.32 0.23 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 3dhr n ASP 75 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dhr h ILE 76 N 2.44 1.27 -0.77 5.18 2.04 -1.65 -2.95 117.51 123.07 3dhr h ILE 76 Ca -0.00 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.41 3dhr h ILE 76 Cb 0.93 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3dhr h ILE 76 CO 0.41 0.50 0.51 0.00 0.00 0.00 0.00 178.15 179.56 3dhr h ALA 77 N 0.85 0.97 0.00 1.87 0.00 -1.94 -1.56 119.26 119.46 3dhr h ALA 77 Ca 0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3dhr h ALA 77 Cb 0.87 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dhr h ALA 77 CO 0.08 0.39 -0.38 0.78 0.00 0.00 0.00 179.25 180.12 3dhr h GLY 78 N 1.04 0.00 2.00 0.00 0.00 -1.95 -2.63 103.07 101.53 3dhr h GLY 78 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.46 3dhr h GLY 78 CO -0.06 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.77 3dhr h ALA 79 N 1.62 0.62 -0.36 3.60 0.00 -1.25 -3.33 119.26 120.17 3dhr h ALA 79 Ca -0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 3dhr h ALA 79 Cb 1.02 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 18.52 3dhr h ALA 79 CO 0.05 0.89 -0.51 1.28 0.00 0.00 0.00 179.25 180.96 3dhr n LEU 80 N -3.40 3.89 0.25 0.00 4.77 -0.63 -4.84 117.00 117.03 3dhr n LEU 80 Ca 0.00 -4.21 -0.16 0.00 -0.03 0.00 0.00 56.01 51.61 3dhr n LEU 80 Cb 0.78 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3dhr n LEU 80 CO 0.43 1.65 0.73 -1.28 -1.33 0.00 0.00 177.39 177.59 3dhr h SER 81 N 1.46 -0.50 0.11 -1.43 0.87 -1.58 -2.92 113.55 109.56 3dhr h SER 81 Ca 0.19 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 3dhr h SER 81 Cb 1.28 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 3dhr h SER 81 CO 0.39 -0.35 -0.17 0.11 -0.53 0.00 0.00 176.83 176.28 3dhr h LYS 82 N -0.57 0.12 0.00 2.24 1.57 -1.89 -2.73 116.57 115.30 3dhr h LYS 82 Ca -0.06 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3dhr h LYS 82 Cb 0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3dhr h LYS 82 CO 0.09 0.29 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.66 3dhr h LEU 83 N 0.11 0.00 -0.64 2.94 3.38 -1.92 -3.07 115.31 116.12 3dhr h LEU 83 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3dhr h LEU 83 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3dhr h LEU 83 CO 0.02 0.53 0.27 0.28 0.09 0.00 0.00 178.44 179.63 3dhr h SER 84 N 0.00 0.87 -0.46 -0.43 0.02 -1.29 -2.20 113.55 110.05 3dhr h SER 84 Ca -0.01 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 3dhr h SER 84 Cb 1.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3dhr h SER 84 CO 0.07 0.79 -0.09 0.44 -1.14 0.00 0.00 176.83 176.90 3dhr h ASP 85 N 0.89 0.92 -0.05 3.07 3.32 -1.61 -1.83 116.42 121.12 3dhr h ASP 85 Ca 0.21 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3dhr h ASP 85 Cb 0.19 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3dhr h ASP 85 CO -0.02 1.03 0.02 0.25 -1.72 0.00 0.00 179.24 178.79 3dhr h LEU 86 N 0.83 0.08 -0.06 1.55 5.85 -1.43 -1.80 115.31 120.33 3dhr h LEU 86 Ca 0.14 -0.21 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 3dhr h LEU 86 Cb 0.62 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.64 3dhr h LEU 86 CO 0.04 0.27 -0.68 0.45 -0.34 0.00 0.00 178.44 178.18 3dhr h HIS 87 N -0.12 0.80 0.00 1.25 3.86 -1.42 0.43 115.15 119.95 3dhr h HIS 87 Ca 0.02 -0.39 -0.14 0.00 -1.16 0.00 0.00 60.37 58.69 3dhr h HIS 87 Cb 0.22 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3dhr h HIS 87 CO -0.00 1.20 -0.80 0.00 0.86 0.00 0.00 177.93 179.19 3dhr h ALA 88 N 0.42 0.16 0.04 2.45 0.00 -1.44 -1.08 119.26 119.82 3dhr h ALA 88 Ca -0.07 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 53.91 3dhr h ALA 88 Cb 1.35 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3dhr h ALA 88 CO 0.14 0.46 -0.02 0.37 0.00 0.00 0.00 179.25 180.20 3dhr h GLN 89 N -1.00 -0.05 0.17 0.00 4.15 -1.49 -3.23 115.11 113.67 3dhr h GLN 89 Ca -0.22 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 3dhr h GLN 89 Cb 1.14 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3dhr h GLN 89 CO -0.13 0.49 -0.08 -0.22 -1.93 0.00 0.00 178.83 176.96 3dhr h LYS 90 N -0.97 -0.22 0.00 1.69 3.64 -1.40 -3.39 116.57 115.93 3dhr h LYS 90 Ca -0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3dhr h LYS 90 Cb 0.56 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3dhr h LYS 90 CO 0.01 -0.04 -0.56 -0.07 -2.27 0.00 0.00 179.45 176.51 3dhr h LEU 91 N -1.04 0.00 -1.94 5.20 3.38 -1.01 -3.48 115.31 116.42 3dhr h LEU 91 Ca -0.02 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.50 3dhr h LEU 91 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.05 3dhr h LEU 91 CO 0.04 0.45 -0.86 0.54 0.09 0.00 0.00 178.44 178.70 3dhr n ARG 92 N -3.16 -4.01 -2.17 1.13 1.74 -0.49 -4.92 116.66 104.78 3dhr n ARG 92 Ca 0.01 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 3dhr n ARG 92 Cb 0.72 -4.87 -0.03 0.00 -1.02 0.00 0.00 32.46 27.26 3dhr n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dhr s VAL 93 N -3.76 3.57 0.01 1.55 1.01 -0.70 -4.95 120.40 117.11 3dhr s VAL 93 Ca 0.04 0.99 -0.35 0.00 0.00 0.00 0.00 61.98 62.66 3dhr s VAL 93 Cb -0.01 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 3dhr s VAL 93 CO 0.84 0.01 1.69 -0.67 0.00 0.00 0.00 175.10 176.97 3dhr n ASP 94 N 5.24 3.00 -0.29 3.32 -0.08 -1.26 -4.87 116.55 121.62 3dhr n ASP 94 Ca 0.13 1.04 0.27 0.00 -1.51 0.00 0.00 54.79 54.73 3dhr n ASP 94 Cb 0.43 -1.35 0.62 0.00 2.34 0.00 0.00 41.12 43.16 3dhr n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3dhr h PRO 95 N 7.24 0.21 0.00 -0.67 0.11 -2.00 -1.31 132.00 135.58 3dhr h PRO 95 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dhr h PRO 95 Cb 1.28 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dhr h PRO 95 CO 0.91 0.14 -0.01 -0.39 -0.21 0.00 0.00 178.00 178.43 3dhr h VAL 96 N 0.21 0.75 0.00 3.15 -1.51 -2.02 -2.76 116.25 114.07 3dhr h VAL 96 Ca 0.55 -0.05 -0.05 0.00 -1.23 0.00 0.00 66.70 65.92 3dhr h VAL 96 Cb 1.74 1.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 3dhr h VAL 96 CO -0.15 0.01 -0.24 0.78 -1.23 0.00 0.00 177.57 176.74 3dhr h ASN 97 N 0.00 0.00 0.51 4.19 -0.26 -1.61 -2.84 115.58 115.57 3dhr h ASN 97 Ca -0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 3dhr h ASN 97 Cb 0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 3dhr h ASN 97 CO 0.00 0.24 -0.62 -0.26 -1.06 0.00 0.00 177.43 175.74 3dhr h PHE 98 N 0.00 0.13 -0.53 1.19 0.04 -1.66 -2.31 116.94 113.80 3dhr h PHE 98 Ca -0.00 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.60 3dhr h PHE 98 Cb 0.72 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3dhr h PHE 98 CO 0.00 0.69 -0.10 0.87 -0.60 0.00 0.00 178.31 179.17 3dhr h LYS 99 N 0.07 1.00 -0.19 1.51 1.57 -1.63 -1.73 116.57 117.17 3dhr h LYS 99 Ca -0.01 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 3dhr h LYS 99 Cb 1.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3dhr h LYS 99 CO 0.09 1.04 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.93 3dhr h LEU 100 N 0.89 0.34 -0.66 2.94 3.38 -1.37 -0.80 115.31 120.03 3dhr h LEU 100 Ca 0.14 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3dhr h LEU 100 Cb 0.66 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3dhr h LEU 100 CO 0.05 0.57 -0.04 0.25 0.09 0.00 0.00 178.44 179.36 3dhr h LEU 101 N 0.10 0.99 -0.48 1.67 5.85 -1.48 -1.66 115.31 120.29 3dhr h LEU 101 Ca 0.05 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.55 3dhr h LEU 101 Cb 0.40 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3dhr h LEU 101 CO 0.01 1.06 0.17 1.23 -0.34 0.00 0.00 178.44 180.57 3dhr h GLY 102 N 0.98 0.64 1.00 3.75 0.00 -1.19 -1.39 103.07 106.85 3dhr h GLY 102 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3dhr h GLY 102 CO 0.04 0.01 0.34 0.84 0.00 0.00 0.00 176.54 177.76 3dhr h HIS 103 N 0.34 0.86 -0.45 5.60 -0.00 -0.94 -2.69 115.15 117.87 3dhr h HIS 103 Ca 0.23 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 3dhr h HIS 103 Cb 0.25 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3dhr h HIS 103 CO -0.17 0.62 0.14 0.00 -0.00 0.00 0.00 177.93 178.53 3dhr h PHE 105 N 0.65 0.90 -0.71 0.00 3.57 -1.08 -1.61 116.94 118.66 3dhr h PHE 105 Ca 0.15 -0.20 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 3dhr h PHE 105 Cb 0.19 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3dhr h PHE 105 CO 0.01 0.93 0.21 -0.07 -2.23 0.00 0.00 178.31 177.16 3dhr h LEU 106 N 0.71 1.03 -0.32 0.59 3.38 -1.10 -1.85 115.31 117.74 3dhr h LEU 106 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dhr h LEU 106 Cb 0.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3dhr h LEU 106 CO 0.05 0.96 0.20 0.58 0.09 0.00 0.00 178.44 180.32 3dhr h VAL 107 N 1.05 1.10 -0.74 1.22 2.07 -1.04 -1.06 116.25 118.86 3dhr h VAL 107 Ca 0.23 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3dhr h VAL 107 Cb 0.30 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3dhr h VAL 107 CO -0.01 0.10 0.49 0.58 0.02 0.00 0.00 177.57 178.75 3dhr h VAL 108 N 0.42 1.18 -0.40 2.57 2.07 -1.09 -0.16 116.25 120.85 3dhr h VAL 108 Ca 0.12 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3dhr h VAL 108 Cb -0.01 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3dhr h VAL 108 CO -0.02 0.18 0.20 0.58 0.02 0.00 0.00 177.57 178.52 3dhr h VAL 109 N 0.99 1.17 -0.94 2.57 2.07 -1.14 -2.55 116.25 118.42 3dhr h VAL 109 Ca 0.27 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3dhr h VAL 109 Cb -0.10 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3dhr h VAL 109 CO -0.06 0.18 0.58 0.00 0.02 0.00 0.00 177.57 178.29 3dhr h ALA 110 N 1.05 1.19 -0.35 1.67 0.00 -0.67 0.34 119.26 122.48 3dhr h ALA 110 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dhr h ALA 110 Cb 0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3dhr h ALA 110 CO -0.02 0.63 0.17 0.28 0.00 0.00 0.00 179.25 180.32 3dhr h VAL 111 N 1.29 1.16 0.06 0.00 2.07 -0.88 -3.17 116.25 116.78 3dhr h VAL 111 Ca 0.34 -0.45 -0.33 0.00 0.82 0.00 0.00 66.70 67.08 3dhr h VAL 111 Cb -0.08 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3dhr h VAL 111 CO -0.07 0.17 -1.84 0.45 0.02 0.00 0.00 177.57 176.30 3dhr h HIS 112 N 0.43 0.25 -2.10 1.57 3.86 -1.29 -3.42 115.15 114.46 3dhr h HIS 112 Ca 0.12 -0.18 -0.56 0.00 -1.16 0.00 0.00 60.37 58.59 3dhr h HIS 112 Cb 0.11 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 28.16 3dhr h HIS 112 CO -0.02 1.39 -0.91 1.19 0.86 0.00 0.00 177.93 180.44 3dhr n PHE 113 N -3.27 1.56 0.21 2.45 3.72 0.12 -4.95 117.46 117.30 3dhr n PHE 113 Ca -0.24 -3.85 0.05 0.00 -0.05 0.00 0.00 57.45 53.37 3dhr n PHE 113 Cb 1.05 -0.44 0.50 0.00 -0.94 0.00 0.00 39.48 39.65 3dhr n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dhr h PRO 114 N 3.71 0.03 0.00 -1.08 0.13 -1.71 -2.49 132.00 130.58 3dhr h PRO 114 Ca 0.12 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 3dhr h PRO 114 Cb 0.78 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3dhr h PRO 114 CO 0.63 0.18 -0.55 0.77 -0.23 0.00 0.00 178.00 178.80 3dhr h SER 115 N 0.03 0.00 -0.24 1.44 0.02 -1.92 -3.15 113.55 109.73 3dhr h SER 115 Ca 0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3dhr h SER 115 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3dhr h SER 115 CO 0.02 0.55 -0.32 0.25 -1.14 0.00 0.00 176.83 176.19 3dhr h LEU 116 N 0.00 0.71 -5.90 5.07 6.46 -1.85 -3.37 115.31 116.43 3dhr h LEU 116 Ca -0.01 -0.50 -0.72 0.00 -0.12 0.00 0.00 57.88 56.53 3dhr h LEU 116 Cb 1.23 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.89 3dhr h LEU 116 CO 0.07 1.07 2.88 -0.11 -0.62 0.00 0.00 178.44 181.73 3dhr n LEU 117 N -4.27 7.31 -4.76 2.25 7.94 -1.07 -4.75 117.00 119.64 3dhr n LEU 117 Ca -0.05 -4.41 -0.31 0.00 -1.11 0.00 0.00 56.01 50.12 3dhr n LEU 117 Cb 0.49 -1.55 0.09 0.00 0.53 0.00 0.00 43.42 42.98 3dhr n LEU 117 CO 0.45 1.48 0.71 0.42 -1.11 0.00 0.00 177.39 179.33 3dhr s THR 118 N 1.70 3.14 0.37 1.96 -4.23 -1.26 -4.74 115.64 112.57 3dhr s THR 118 Ca 0.50 0.39 0.17 0.00 -1.18 0.00 0.00 61.69 61.57 3dhr s THR 118 Cb 0.14 -2.83 0.37 0.00 1.34 0.00 0.00 72.50 71.52 3dhr s THR 118 CO -0.06 -0.46 1.71 -0.65 -0.54 0.00 0.00 174.62 174.62 3dhr h PRO 119 N -1.05 0.36 -0.14 3.99 0.11 -1.97 0.14 132.00 133.44 3dhr h PRO 119 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3dhr h PRO 119 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dhr h PRO 119 CO 0.50 0.24 -0.15 0.93 -0.21 0.00 0.00 178.00 179.31 3dhr h GLU 120 N 0.37 0.35 -0.43 1.05 5.08 -1.96 -2.05 114.58 116.99 3dhr h GLU 120 Ca 0.68 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.77 3dhr h GLU 120 Cb 1.65 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.89 3dhr h GLU 120 CO -0.45 0.75 -0.07 0.28 -1.00 0.00 0.00 179.01 178.52 3dhr h VAL 121 N -0.04 1.25 -0.20 3.13 2.07 -1.72 -2.52 116.25 118.22 3dhr h VAL 121 Ca 0.02 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3dhr h VAL 121 Cb 0.69 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3dhr h VAL 121 CO 0.04 0.37 -0.13 -0.74 0.02 0.00 0.00 177.57 177.13 3dhr h HIS 122 N 0.68 -0.32 -0.80 1.57 -0.00 -0.69 -0.30 115.15 115.29 3dhr h HIS 122 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3dhr h HIS 122 Cb 0.52 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 3dhr h HIS 122 CO 0.03 -0.19 0.50 0.00 -0.00 0.00 0.00 177.93 178.26 3dhr h ALA 123 N 1.02 1.01 -0.37 5.26 0.00 -1.12 -0.78 119.26 124.28 3dhr h ALA 123 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3dhr h ALA 123 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dhr h ALA 123 CO -0.28 0.46 -0.00 0.77 0.00 0.00 0.00 179.25 180.20 3dhr h SER 124 N 1.09 0.65 -0.05 0.00 0.02 -1.20 -2.32 113.55 111.74 3dhr h SER 124 Ca 0.29 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 3dhr h SER 124 Cb -0.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3dhr h SER 124 CO -0.06 0.80 -0.21 0.25 -1.14 0.00 0.00 176.83 176.47 3dhr h LEU 125 N 0.48 0.44 -0.44 5.07 5.85 -0.82 -1.52 115.31 124.38 3dhr h LEU 125 Ca 0.11 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3dhr h LEU 125 Cb 0.47 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3dhr h LEU 125 CO 0.02 0.66 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.86 3dhr h ASP 126 N 0.40 0.88 -0.67 1.25 3.58 -1.07 -0.84 116.42 119.94 3dhr h ASP 126 Ca 0.06 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 3dhr h ASP 126 Cb 0.60 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 3dhr h ASP 126 CO 0.04 1.05 0.41 0.11 -2.88 0.00 0.00 179.24 177.98 3dhr h LYS 127 N 0.69 0.91 -0.11 0.28 1.57 -1.17 -1.11 116.57 117.64 3dhr h LYS 127 Ca 0.11 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3dhr h LYS 127 Cb 0.69 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 3dhr h LYS 127 CO 0.05 0.64 0.04 0.35 -0.57 0.00 0.00 179.45 179.96 3dhr h PHE 128 N 0.92 0.16 -0.84 -1.35 3.57 -1.15 -0.16 116.94 118.09 3dhr h PHE 128 Ca 0.24 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 3dhr h PHE 128 Cb -0.04 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3dhr h PHE 128 CO -0.02 0.27 0.54 0.28 -2.23 0.00 0.00 178.31 177.16 3dhr h VAL 129 N 0.01 1.15 -0.50 1.41 2.07 -1.07 -1.02 116.25 118.30 3dhr h VAL 129 Ca 0.04 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3dhr h VAL 129 Cb 0.18 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3dhr h VAL 129 CO -0.00 0.19 -0.11 -0.07 0.02 0.00 0.00 177.57 177.60 3dhr h LEU 130 N 1.07 0.94 -0.55 2.57 3.38 -1.08 -2.09 115.31 119.55 3dhr h LEU 130 Ca 0.33 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dhr h LEU 130 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3dhr h LEU 130 CO -0.11 1.06 0.26 0.00 0.09 0.00 0.00 178.44 179.74 3dhr h ALA 131 N 1.02 0.71 -0.42 1.53 0.00 -0.56 -0.23 119.26 121.31 3dhr h ALA 131 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dhr h ALA 131 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dhr h ALA 131 CO 0.05 0.28 0.27 0.28 0.00 0.00 0.00 179.25 180.13 3dhr h VAL 132 N 0.74 1.11 -0.72 0.00 2.07 -1.10 -2.05 116.25 116.30 3dhr h VAL 132 Ca 0.19 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3dhr h VAL 132 Cb 0.13 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3dhr h VAL 132 CO -0.02 0.10 0.32 1.23 0.02 0.00 0.00 177.57 179.22 3dhr h GLY 133 N 0.56 1.12 1.00 2.17 0.00 -1.11 -1.95 103.07 104.87 3dhr h GLY 133 Ca 0.15 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3dhr h GLY 133 CO -0.03 0.54 0.28 -0.84 0.00 0.00 0.00 176.54 176.48 3dhr h THR 134 N 1.03 1.22 -0.20 4.70 2.02 -0.83 -2.54 112.91 118.32 3dhr h THR 134 Ca 0.25 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3dhr h THR 134 Cb 0.15 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3dhr h THR 134 CO -0.03 0.26 0.09 0.58 0.37 0.00 0.00 175.52 176.80 3dhr h VAL 135 N 0.86 1.14 0.00 3.16 2.07 -1.07 -2.51 116.25 119.90 3dhr h VAL 135 Ca 0.21 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3dhr h VAL 135 Cb 0.15 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3dhr h VAL 135 CO -0.02 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.88 3dhr n LEU 136 N -4.86 0.00 -0.57 2.57 4.77 -0.76 -1.99 117.00 116.16 3dhr n LEU 136 Ca -0.04 0.44 0.05 0.00 -0.03 0.00 0.00 56.01 56.44 3dhr n LEU 136 Cb 0.10 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.88 3dhr n LEU 136 CO 0.35 -0.16 0.59 0.35 -1.33 0.00 0.00 177.39 177.18 3dhr n THR 137 N -1.44 0.84 -0.21 -5.08 -2.24 -0.97 -3.96 114.28 101.22 3dhr n THR 137 Ca 0.06 -0.92 -0.03 0.00 -2.27 0.00 0.00 64.05 60.89 3dhr n THR 137 Cb 0.20 0.62 0.17 0.00 -2.10 0.00 0.00 70.33 69.21 3dhr n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhr h ALA 138 N 1.93 1.23 -3.19 6.98 0.00 -0.95 -3.40 119.26 121.87 3dhr h ALA 138 Ca 0.00 -0.16 -0.61 0.00 0.00 0.00 0.00 54.91 54.14 3dhr h ALA 138 Cb 0.67 -0.27 -0.40 0.00 0.00 0.00 0.00 17.79 17.79 3dhr h ALA 138 CO 0.00 0.57 -0.73 0.15 0.00 0.00 0.00 179.25 179.24 3dhr s LYS 139 N -5.50 1.21 -0.13 0.00 1.02 -1.26 -4.96 119.74 110.11 3dhr s LYS 139 Ca -0.11 -1.76 0.09 0.00 0.02 0.00 0.00 55.97 54.22 3dhr s LYS 139 Cb 0.16 -2.46 0.51 0.00 -0.52 0.00 0.00 37.83 35.52 3dhr s LYS 139 CO 0.81 -1.07 1.30 0.66 -0.92 0.00 0.00 175.35 176.12 3dhr n TYR 140 N 4.01 1.23 -0.70 3.18 4.01 -1.26 -4.06 117.16 123.58 3dhr n TYR 140 Ca 0.04 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 3dhr n TYR 140 Cb 0.38 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3dhr n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94