#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 0.45 0.88 7.52 1.43 -1.26 -4.99 118.68 122.71 3dhr s LEU 2 Ca 0.00 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 3dhr s LEU 2 Cb 0.00 -0.01 0.12 0.00 0.03 0.00 0.00 46.19 46.33 3dhr s LEU 2 CO 0.00 -0.20 1.14 -0.94 0.23 0.00 0.00 176.35 176.58 3dhr s SER 3 N 1.76 3.80 0.31 2.29 1.04 -1.26 -4.83 113.70 116.81 3dhr s SER 3 Ca -0.01 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.37 3dhr s SER 3 Cb -0.12 -1.52 0.49 0.00 0.10 0.00 0.00 66.02 64.96 3dhr s SER 3 CO -0.04 -2.37 1.88 0.00 0.98 0.00 0.00 173.24 173.70 3dhr h ALA 4 N -1.37 1.32 -0.21 5.32 0.00 -2.02 -0.75 119.26 121.55 3dhr h ALA 4 Ca -0.49 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 3dhr h ALA 4 Cb 1.33 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dhr h ALA 4 CO 0.63 0.50 -0.55 -0.97 0.00 0.00 0.00 179.25 178.85 3dhr h ASN 5 N 0.78 0.71 -0.37 0.00 -1.24 -1.98 -2.03 115.58 111.44 3dhr h ASN 5 Ca 0.18 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 56.81 3dhr h ASN 5 Cb 0.20 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 3dhr h ASN 5 CO -0.01 1.12 0.23 0.44 -1.29 0.00 0.00 177.43 177.91 3dhr h ASP 6 N 0.49 0.45 -0.86 1.15 3.32 -1.80 0.37 116.42 119.54 3dhr h ASP 6 Ca 0.01 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3dhr h ASP 6 Cb 1.11 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 3dhr h ASP 6 CO 0.11 0.36 0.52 0.11 -1.72 0.00 0.00 179.24 178.62 3dhr h LYS 7 N 0.49 1.17 -0.53 3.56 1.57 -1.14 -1.59 116.57 120.10 3dhr h LYS 7 Ca 0.13 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3dhr h LYS 7 Cb -0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3dhr h LYS 7 CO -0.03 0.82 -0.07 1.03 -0.57 0.00 0.00 179.45 180.64 3dhr h SER 8 N 1.19 0.95 -0.36 0.86 0.87 -0.94 -2.16 113.55 113.97 3dhr h SER 8 Ca 0.31 -0.29 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 3dhr h SER 8 Cb -0.05 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3dhr h SER 8 CO -0.06 1.05 -0.31 0.78 -0.53 0.00 0.00 176.83 177.76 3dhr h ASN 9 N 0.87 0.90 -0.61 6.23 -0.26 -0.59 -2.03 115.58 120.10 3dhr h ASN 9 Ca 0.15 -0.45 -0.04 0.00 -0.56 0.00 0.00 56.30 55.39 3dhr h ASN 9 Cb 0.61 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.59 3dhr h ASN 9 CO 0.04 1.17 0.21 0.58 -1.06 0.00 0.00 177.43 178.37 3dhr h VAL 10 N 0.65 1.24 -0.73 2.81 2.07 -1.27 -1.37 116.25 119.65 3dhr h VAL 10 Ca 0.06 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3dhr h VAL 10 Cb 0.89 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3dhr h VAL 10 CO 0.08 0.30 0.34 0.11 0.02 0.00 0.00 177.57 178.43 3dhr h LYS 11 N 0.86 1.04 -0.57 1.57 1.57 -1.36 -2.09 116.57 117.59 3dhr h LYS 11 Ca 0.20 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3dhr h LYS 11 Cb 0.26 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3dhr h LYS 11 CO -0.01 0.81 -0.06 0.00 -0.57 0.00 0.00 179.45 179.62 3dhr h ALA 12 N 1.34 0.81 0.33 3.86 0.00 -1.05 -1.74 119.26 122.81 3dhr h ALA 12 Ca 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dhr h ALA 12 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dhr h ALA 12 CO -0.03 0.67 -0.16 0.28 0.00 0.00 0.00 179.25 180.01 3dhr h VAL 13 N 0.94 0.69 0.00 0.00 2.07 -0.97 -2.23 116.25 116.75 3dhr h VAL 13 Ca 0.16 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3dhr h VAL 13 Cb 0.62 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3dhr h VAL 13 CO 0.04 0.03 -0.34 -0.26 0.02 0.00 0.00 177.57 177.07 3dhr h PHE 14 N -0.53 0.00 -0.44 1.57 0.04 -1.41 -0.43 116.94 115.74 3dhr h PHE 14 Ca -0.04 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.58 3dhr h PHE 14 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3dhr h PHE 14 CO -0.03 0.34 -0.29 0.00 -0.60 0.00 0.00 178.31 177.73 3dhr h ALA 15 N 1.66 0.63 -0.27 2.45 0.00 -1.32 -0.92 119.26 121.49 3dhr h ALA 15 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3dhr h ALA 15 Cb 0.91 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3dhr h ALA 15 CO 0.04 0.67 0.01 -0.22 0.00 0.00 0.00 179.25 179.76 3dhr h LYS 16 N 0.82 0.48 -0.11 0.00 1.63 -0.99 -3.18 116.57 115.22 3dhr h LYS 16 Ca 0.09 -0.15 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3dhr h LYS 16 Cb 0.88 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 3dhr h LYS 16 CO 0.08 0.63 0.06 0.82 -3.45 0.00 0.00 179.45 177.59 3dhr h ILE 17 N 0.27 1.01 0.00 2.00 2.04 -1.09 -3.46 117.51 118.27 3dhr h ILE 17 Ca 0.08 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3dhr h ILE 17 Cb 0.41 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3dhr h ILE 17 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.80 3dhr n GLY 18 N -1.13 3.73 0.00 5.37 0.00 -0.35 -2.03 105.19 110.78 3dhr n GLY 18 Ca -0.05 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.31 0.04 -0.02 0.00 -1.26 -3.19 105.19 99.46 3dhr n GLY 19 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3dhr n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhr n GLN 20 N -1.44 0.08 -0.28 1.61 6.02 -0.86 -4.26 117.38 118.24 3dhr n GLN 20 Ca 0.08 0.18 0.01 0.00 -0.01 0.00 0.00 57.00 57.26 3dhr n GLN 20 Cb 0.27 -1.62 0.08 0.00 1.02 0.00 0.00 30.24 29.99 3dhr n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dhr h ALA 21 N 2.64 0.42 -0.20 -1.58 0.00 -1.71 -1.87 119.26 116.96 3dhr h ALA 21 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3dhr h ALA 21 Cb 0.45 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3dhr h ALA 21 CO 0.00 -0.46 -0.08 0.78 0.00 0.00 0.00 179.25 179.49 3dhr h GLY 22 N -0.02 0.11 1.59 0.00 0.00 -1.87 0.05 103.07 102.91 3dhr h GLY 22 Ca 0.37 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.74 3dhr h GLY 22 CO -0.83 -0.10 -0.01 -0.55 0.00 0.00 0.00 176.54 175.05 3dhr h ASP 23 N -0.04 0.48 -0.20 0.19 3.32 -1.66 -1.89 116.42 116.62 3dhr h ASP 23 Ca 0.10 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3dhr h ASP 23 Cb 0.20 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3dhr h ASP 23 CO -0.23 0.56 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.50 3dhr h LEU 24 N 0.49 0.71 -0.83 1.55 3.38 -0.88 -2.09 115.31 117.64 3dhr h LEU 24 Ca 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3dhr h LEU 24 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3dhr h LEU 24 CO 0.01 0.95 0.51 1.23 0.09 0.00 0.00 178.44 181.23 3dhr h GLY 25 N 0.98 1.21 1.04 0.83 0.00 -0.43 -1.60 103.07 105.10 3dhr h GLY 25 Ca 0.07 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3dhr h GLY 25 CO 0.06 0.48 0.18 -1.33 0.00 0.00 0.00 176.54 175.94 3dhr h GLY 26 N 1.14 1.15 1.23 4.60 0.00 -1.17 -2.51 103.07 107.51 3dhr h GLY 26 Ca 0.30 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3dhr h GLY 26 CO -0.06 0.66 -0.23 -2.09 0.00 0.00 0.00 176.54 174.82 3dhr h GLU 27 N 1.00 0.88 -0.64 4.80 4.81 -1.19 -2.05 114.58 122.20 3dhr h GLU 27 Ca 0.21 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3dhr h GLU 27 Cb 0.34 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3dhr h GLU 27 CO -0.00 1.02 0.33 0.00 -0.73 0.00 0.00 179.01 179.63 3dhr h ALA 28 N 0.97 0.82 -0.37 2.92 0.00 -1.23 0.08 119.26 122.45 3dhr h ALA 28 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dhr h ALA 28 Cb 0.78 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3dhr h ALA 28 CO 0.06 0.36 0.17 -0.07 0.00 0.00 0.00 179.25 179.78 3dhr h LEU 29 N 0.88 0.49 -0.30 0.00 3.38 -1.39 -0.51 115.31 117.86 3dhr h LEU 29 Ca 0.22 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dhr h LEU 29 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3dhr h LEU 29 CO -0.03 0.50 0.17 -0.08 0.09 0.00 0.00 178.44 179.09 3dhr h GLU 30 N 0.46 0.34 -0.52 1.13 4.81 -1.09 -1.54 114.58 118.17 3dhr h GLU 30 Ca 0.13 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3dhr h GLU 30 Cb 0.14 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3dhr h GLU 30 CO -0.01 0.23 0.14 0.00 -0.73 0.00 0.00 179.01 178.63 3dhr h ARG 31 N 0.35 0.79 0.20 1.92 3.08 -0.90 -2.29 114.38 117.53 3dhr h ARG 31 Ca 0.12 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3dhr h ARG 31 Cb -0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3dhr h ARG 31 CO -0.05 0.70 -0.11 1.25 -1.07 0.00 0.00 179.97 180.69 3dhr h LEU 32 N 0.76 -0.25 -0.80 3.04 5.85 -0.58 -1.37 115.31 121.96 3dhr h LEU 32 Ca 0.17 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3dhr h LEU 32 Cb 0.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3dhr h LEU 32 CO -0.00 -0.17 0.32 -0.26 -0.34 0.00 0.00 178.44 177.98 3dhr h PHE 33 N -0.28 1.22 -0.07 1.25 0.04 -1.15 0.63 116.94 118.57 3dhr h PHE 33 Ca -0.02 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.56 3dhr h PHE 33 Cb 0.22 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.01 3dhr h PHE 33 CO -0.07 0.92 -0.31 0.82 -0.60 0.00 0.00 178.31 179.06 3dhr h ILE 34 N 1.17 1.42 0.00 -0.55 2.04 -1.40 -3.16 117.51 117.03 3dhr h ILE 34 Ca 0.27 -1.71 -0.22 0.00 1.00 0.00 0.00 64.86 64.20 3dhr h ILE 34 Cb 0.22 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3dhr h ILE 34 CO -0.02 0.49 -1.21 0.71 0.00 0.00 0.00 178.15 178.12 3dhr h THR 35 N -0.15 1.20 -2.72 -0.27 1.35 -1.25 -3.38 112.91 107.70 3dhr h THR 35 Ca -0.02 -2.90 -0.61 0.00 -0.55 0.00 0.00 66.41 62.34 3dhr h THR 35 Cb 0.96 2.57 -0.41 0.00 -1.73 0.00 0.00 68.15 69.54 3dhr h THR 35 CO 0.07 0.69 -0.66 -1.22 -0.25 0.00 0.00 175.52 174.14 3dhr n TYR 36 N -3.19 2.60 0.33 4.73 4.01 0.21 -4.98 117.16 120.87 3dhr n TYR 36 Ca -0.06 -4.10 0.21 0.00 -0.16 0.00 0.00 57.90 53.79 3dhr n TYR 36 Cb 0.94 -0.48 1.16 0.00 -0.31 0.00 0.00 39.34 40.65 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 5.06 0.00 0.00 -0.72 0.11 -1.74 -1.33 132.00 133.37 3dhr h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3dhr h PRO 37 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3dhr h PRO 37 CO 0.69 0.00 -0.04 1.96 -0.21 0.00 0.00 178.00 180.40 3dhr h GLN 38 N 0.00 0.00 0.00 1.05 4.20 -1.92 -2.67 115.11 115.77 3dhr h GLN 38 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3dhr h GLN 38 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3dhr h GLN 38 CO 0.00 0.04 -0.11 1.79 -0.67 0.00 0.00 178.83 179.88 3dhr h THR 39 N 0.00 0.30 -0.03 -0.54 1.35 -1.56 -3.02 112.91 109.40 3dhr h THR 39 Ca -0.00 -0.76 0.01 0.00 -0.55 0.00 0.00 66.41 65.11 3dhr h THR 39 Cb 0.19 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3dhr h THR 39 CO 0.01 0.11 0.03 0.11 -0.25 0.00 0.00 175.52 175.53 3dhr h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.68 -2.58 116.57 118.60 3dhr h LYS 40 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dhr h LYS 40 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3dhr h LYS 40 CO 0.01 0.00 -0.01 1.79 -0.57 0.00 0.00 179.45 180.68 3dhr h THR 41 N 0.00 0.13 0.00 -0.16 1.35 -1.74 0.12 112.91 112.60 3dhr h THR 41 Ca 0.02 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3dhr h THR 41 Cb 0.08 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3dhr h THR 41 CO -0.00 0.01 -0.26 1.88 -0.25 0.00 0.00 175.52 176.90 3dhr h TYR 42 N 0.00 0.00 -2.05 4.73 0.05 -1.71 -3.37 116.97 114.63 3dhr h TYR 42 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 3dhr h TYR 42 Cb 0.08 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.40 3dhr h TYR 42 CO 0.00 0.00 -0.84 1.19 -1.05 0.00 0.00 178.16 177.46 3dhr n PHE 43 N -2.29 2.74 0.31 4.88 3.72 0.40 -4.96 117.46 122.25 3dhr n PHE 43 Ca 0.04 -3.78 0.20 0.00 -0.05 0.00 0.00 57.45 53.86 3dhr n PHE 43 Cb 0.45 -0.42 0.94 0.00 -0.94 0.00 0.00 39.48 39.51 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 2.94 0.00 -0.17 -1.08 0.13 -1.71 -2.81 132.00 129.30 3dhr h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3dhr h PRO 44 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3dhr h PRO 44 CO 0.71 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.21 3dhr n HIS 45 N -3.09 0.21 -2.08 1.56 8.25 -1.26 -5.02 115.22 113.80 3dhr n HIS 45 Ca -0.01 -0.28 -0.41 0.00 -0.26 0.00 0.00 57.72 56.76 3dhr n HIS 45 Cb 0.20 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.90 3.00 -0.27 4.41 2.99 -1.06 -4.97 117.98 121.19 3dhr s PHE 46 Ca 0.15 1.35 -0.29 0.00 0.00 0.00 0.00 56.93 58.14 3dhr s PHE 46 Cb 0.09 -3.73 -0.01 0.00 0.00 0.00 0.00 43.02 39.37 3dhr s PHE 46 CO 0.12 -2.06 1.48 0.34 -0.00 0.00 0.00 175.22 175.11 3dhr s ASP 47 N -0.35 6.48 0.00 1.36 2.15 -1.26 -4.90 116.67 120.16 3dhr s ASP 47 Ca 0.50 1.39 0.20 0.00 0.43 0.00 0.00 52.55 55.08 3dhr s ASP 47 Cb -0.41 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 39.98 3dhr s ASP 47 CO 0.53 -1.21 1.26 0.18 -0.17 0.00 0.00 175.17 175.75 3dhr n LEU 48 N 8.19 3.04 -4.69 -1.34 4.77 -1.26 -4.44 117.00 121.27 3dhr n LEU 48 Ca 0.17 -1.36 -0.42 0.00 -0.03 0.00 0.00 56.01 54.38 3dhr n LEU 48 Cb 0.46 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3dhr n LEU 48 CO 0.64 0.63 0.87 -1.54 -1.33 0.00 0.00 177.39 176.66 3dhr n SER 49 N 1.21 2.56 -4.65 -1.43 3.41 -1.26 -4.82 113.62 108.64 3dhr n SER 49 Ca 0.15 1.16 -0.54 0.00 -0.26 0.00 0.00 58.87 59.38 3dhr n SER 49 Cb 0.53 -1.48 -0.06 0.00 -0.26 0.00 0.00 64.21 62.94 3dhr n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3dhr n HIS 50 N 0.07 1.83 -2.49 7.33 -0.00 -1.26 -1.39 115.22 119.31 3dhr n HIS 50 Ca 0.06 0.54 -0.13 0.00 0.46 0.00 0.00 57.72 58.64 3dhr n HIS 50 Cb 0.38 -2.42 0.01 0.00 -0.12 0.00 0.00 29.99 27.84 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 3.38 -0.11 3.76 1.57 0.00 -1.26 -5.01 105.19 107.52 3dhr n GLY 51 Ca 0.22 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3dhr n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dhr s SER 52 N -2.62 5.10 0.46 1.61 1.04 -0.48 -4.85 113.70 113.95 3dhr s SER 52 Ca 0.10 2.13 0.12 0.00 0.48 0.00 0.00 55.95 58.77 3dhr s SER 52 Cb -0.04 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.55 3dhr s SER 52 CO 0.12 -1.64 2.08 0.00 0.98 0.00 0.00 173.24 174.77 3dhr h ALA 53 N 0.30 1.81 -0.10 5.32 0.00 -1.90 -1.18 119.26 123.51 3dhr h ALA 53 Ca -0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3dhr h ALA 53 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dhr h ALA 53 CO 0.54 0.16 -0.12 1.96 0.00 0.00 0.00 179.25 181.79 3dhr h GLN 54 N 0.23 0.26 -0.05 0.00 4.20 -1.92 0.67 115.11 118.50 3dhr h GLN 54 Ca 0.06 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3dhr h GLN 54 Cb 0.05 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3dhr h GLN 54 CO -0.01 0.69 0.03 0.82 -0.67 0.00 0.00 178.83 179.69 3dhr h ILE 55 N -0.16 1.08 -0.51 2.54 2.04 -1.72 -0.17 117.51 120.61 3dhr h ILE 55 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3dhr h ILE 55 Cb 0.65 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3dhr h ILE 55 CO 0.03 0.07 0.33 0.11 0.00 0.00 0.00 178.15 178.69 3dhr h LYS 56 N -0.01 0.68 0.31 2.37 1.57 -1.28 0.22 116.57 120.42 3dhr h LYS 56 Ca 0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3dhr h LYS 56 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3dhr h LYS 56 CO -0.00 0.46 -0.15 0.78 -0.57 0.00 0.00 179.45 179.97 3dhr h GLY 57 N 0.69 -0.43 1.48 3.86 0.00 -0.77 -1.61 103.07 106.29 3dhr h GLY 57 Ca 0.19 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.59 3dhr h GLY 57 CO -0.04 -0.16 -0.13 0.84 0.00 0.00 0.00 176.54 177.05 3dhr h HIS 58 N -0.42 0.67 -0.96 5.60 -0.00 -0.94 -2.70 115.15 116.40 3dhr h HIS 58 Ca -0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 3dhr h HIS 58 Cb 0.32 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.51 3dhr h HIS 58 CO -0.05 0.72 0.61 0.78 -0.00 0.00 0.00 177.93 179.99 3dhr h GLY 59 N 0.96 1.37 0.99 5.26 0.00 -0.48 -0.53 103.07 110.65 3dhr h GLY 59 Ca 0.10 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.89 3dhr h GLY 59 CO 0.04 0.53 0.24 1.70 0.00 0.00 0.00 176.54 179.05 3dhr h LYS 60 N 1.32 0.48 -0.62 4.80 3.64 -1.04 -1.61 116.57 123.54 3dhr h LYS 60 Ca 0.35 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3dhr h LYS 60 Cb -0.10 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 3dhr h LYS 60 CO -0.07 0.32 0.29 0.87 -2.27 0.00 0.00 179.45 178.59 3dhr h LYS 61 N 0.50 0.91 -0.25 1.90 1.57 -1.11 -0.68 116.57 119.40 3dhr h LYS 61 Ca 0.14 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dhr h LYS 61 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3dhr h LYS 61 CO -0.03 0.74 0.14 0.28 -0.57 0.00 0.00 179.45 180.01 3dhr h VAL 62 N 0.86 1.11 -0.58 0.50 2.07 -0.99 -2.37 116.25 116.85 3dhr h VAL 62 Ca 0.21 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3dhr h VAL 62 Cb 0.14 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3dhr h VAL 62 CO -0.02 0.11 0.05 0.00 0.02 0.00 0.00 177.57 177.72 3dhr h ALA 63 N 1.03 1.00 -0.57 1.67 0.00 -1.13 -2.21 119.26 119.04 3dhr h ALA 63 Ca 0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3dhr h ALA 63 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3dhr h ALA 63 CO -0.02 0.62 0.14 0.93 0.00 0.00 0.00 179.25 180.93 3dhr h GLU 64 N 0.90 0.88 -0.72 0.00 5.08 -1.03 -0.06 114.58 119.64 3dhr h GLU 64 Ca 0.18 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3dhr h GLU 64 Cb 0.45 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3dhr h GLU 64 CO 0.02 0.79 0.22 0.00 -1.00 0.00 0.00 179.01 179.04 3dhr h ALA 65 N 1.30 0.94 -0.35 3.43 0.00 -1.16 -1.03 119.26 122.39 3dhr h ALA 65 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3dhr h ALA 65 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3dhr h ALA 65 CO -0.00 0.62 -0.14 -0.07 0.00 0.00 0.00 179.25 179.66 3dhr h LEU 66 N 1.06 0.62 -0.40 0.00 3.38 -0.89 -0.84 115.31 118.23 3dhr h LEU 66 Ca 0.23 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3dhr h LEU 66 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dhr h LEU 66 CO -0.01 0.78 -0.04 0.58 0.09 0.00 0.00 178.44 179.85 3dhr h VAL 67 N 0.57 1.27 -0.59 1.22 2.07 -0.77 -1.51 116.25 118.51 3dhr h VAL 67 Ca 0.10 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3dhr h VAL 67 Cb 0.57 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3dhr h VAL 67 CO 0.04 0.37 0.27 -0.33 0.02 0.00 0.00 177.57 177.93 3dhr h GLU 68 N 0.56 0.85 -0.95 1.57 4.39 -1.03 -0.13 114.58 119.84 3dhr h GLU 68 Ca 0.11 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.69 3dhr h GLU 68 Cb 0.54 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 3dhr h GLU 68 CO 0.03 0.70 0.63 0.00 -1.16 0.00 0.00 179.01 179.21 3dhr h ALA 69 N 1.11 1.22 -0.35 3.43 0.00 -1.07 -0.97 119.26 122.63 3dhr h ALA 69 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3dhr h ALA 69 Cb 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dhr h ALA 69 CO -0.02 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.64 3dhr h ALA 70 N 1.36 0.49 0.00 0.00 0.00 -0.94 -2.57 119.26 117.60 3dhr h ALA 70 Ca 0.36 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3dhr h ALA 70 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3dhr h ALA 70 CO -0.09 0.40 -0.29 -0.91 0.00 0.00 0.00 179.25 178.36 3dhr h ASN 71 N 0.50 0.00 -1.57 0.00 2.35 -0.82 -2.99 115.58 113.05 3dhr h ASN 71 Ca 0.08 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.18 3dhr h ASN 71 Cb 0.69 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.69 3dhr h ASN 71 CO 0.05 0.29 -0.11 1.41 -1.65 0.00 0.00 177.43 177.42 3dhr n HIS 72 N -3.80 3.22 0.29 1.19 8.25 -0.39 -4.87 115.22 119.11 3dhr n HIS 72 Ca -0.01 -2.79 0.17 0.00 -0.26 0.00 0.00 57.72 54.83 3dhr n HIS 72 Cb 0.38 -0.51 0.88 0.00 1.12 0.00 0.00 29.99 31.86 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 2.29 0.28 0.00 1.59 2.10 -1.30 -0.55 117.51 121.91 3dhr h ILE 73 Ca 0.40 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 66.02 3dhr h ILE 73 Cb 0.70 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 3dhr h ILE 73 CO 1.06 0.05 -0.43 0.47 -1.08 0.00 0.00 178.15 178.22 3dhr n ASP 74 N -3.38 0.45 -3.13 2.19 8.00 -1.26 -4.33 116.55 115.09 3dhr n ASP 74 Ca -0.02 -0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.25 3dhr n ASP 74 Cb 0.19 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 3dhr n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dhr n ASP 75 N -1.63 0.07 -0.20 -2.24 2.03 -0.25 -4.96 116.55 109.36 3dhr n ASP 75 Ca 0.05 -2.92 -0.10 0.00 0.52 0.00 0.00 54.79 52.35 3dhr n ASP 75 Cb 0.36 -0.31 0.02 0.00 -0.72 0.00 0.00 41.12 40.47 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 1.74 1.27 -0.62 5.18 2.04 -1.66 -2.80 117.51 122.65 3dhr h ILE 76 Ca 0.06 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3dhr h ILE 76 Cb 0.94 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3dhr h ILE 76 CO 0.45 0.44 0.33 0.00 0.00 0.00 0.00 178.15 179.36 3dhr h ALA 77 N 0.97 1.42 0.00 1.87 0.00 -1.93 -2.04 119.26 119.54 3dhr h ALA 77 Ca 0.16 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 3dhr h ALA 77 Cb 0.61 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3dhr h ALA 77 CO 0.04 0.48 -0.89 0.78 0.00 0.00 0.00 179.25 179.65 3dhr h GLY 78 N 0.93 0.01 1.41 0.00 0.00 -1.94 -2.97 103.07 100.50 3dhr h GLY 78 Ca 0.22 -0.01 -0.22 0.00 0.00 0.00 0.00 47.33 47.32 3dhr h GLY 78 CO -0.03 0.01 -0.87 0.00 0.00 0.00 0.00 176.54 175.65 3dhr h ALA 79 N 1.11 0.37 -0.51 3.60 0.00 -1.19 -3.29 119.26 119.35 3dhr h ALA 79 Ca -0.01 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.06 3dhr h ALA 79 Cb 1.58 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 3dhr h ALA 79 CO 0.12 0.75 0.12 1.28 0.00 0.00 0.00 179.25 181.52 3dhr n LEU 80 N -3.83 4.89 0.05 0.00 4.77 -0.80 -4.78 117.00 117.29 3dhr n LEU 80 Ca -0.07 -3.43 -0.11 0.00 -0.03 0.00 0.00 56.01 52.37 3dhr n LEU 80 Cb 0.79 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3dhr n LEU 80 CO 0.52 0.97 0.80 -1.28 -1.33 0.00 0.00 177.39 177.07 3dhr h SER 81 N 1.60 -0.29 0.25 -1.43 0.87 -1.59 -2.39 113.55 110.57 3dhr h SER 81 Ca 0.23 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 3dhr h SER 81 Cb 1.93 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 64.00 3dhr h SER 81 CO 0.53 -0.15 -0.34 0.11 -0.53 0.00 0.00 176.83 176.45 3dhr h LYS 82 N -0.18 0.14 0.00 2.24 1.57 -1.88 -2.73 116.57 115.73 3dhr h LYS 82 Ca 0.04 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3dhr h LYS 82 Cb 0.22 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3dhr h LYS 82 CO -0.10 0.47 -0.29 -0.07 -0.57 0.00 0.00 179.45 178.89 3dhr h LEU 83 N 0.12 0.00 -1.04 2.94 3.38 -1.84 -2.68 115.31 116.19 3dhr h LEU 83 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3dhr h LEU 83 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3dhr h LEU 83 CO 0.05 0.29 -0.28 0.28 0.09 0.00 0.00 178.44 178.87 3dhr h SER 84 N 0.00 0.34 -0.18 -0.43 0.02 -1.11 -2.35 113.55 109.84 3dhr h SER 84 Ca -0.00 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3dhr h SER 84 Cb 0.77 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3dhr h SER 84 CO 0.04 0.62 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.51 3dhr h ASP 85 N 0.30 0.36 -0.16 3.07 1.82 -1.51 -1.70 116.42 118.60 3dhr h ASP 85 Ca 0.04 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 3dhr h ASP 85 Cb 0.66 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 3dhr h ASP 85 CO 0.05 0.66 0.11 0.25 -1.61 0.00 0.00 179.24 178.69 3dhr h LEU 86 N 0.06 0.19 -0.03 2.28 5.85 -1.46 -1.06 115.31 121.14 3dhr h LEU 86 Ca 0.04 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 3dhr h LEU 86 Cb 0.51 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.50 3dhr h LEU 86 CO 0.02 0.15 -0.54 0.45 -0.34 0.00 0.00 178.44 178.18 3dhr h HIS 87 N 0.21 0.61 0.00 1.25 3.86 -1.49 0.25 115.15 119.84 3dhr h HIS 87 Ca 0.06 -0.31 -0.03 0.00 -1.16 0.00 0.00 60.37 58.93 3dhr h HIS 87 Cb -0.01 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 3dhr h HIS 87 CO -0.06 1.11 -0.19 0.00 0.86 0.00 0.00 177.93 179.64 3dhr h ALA 88 N 0.37 0.03 0.10 2.45 0.00 -1.38 -2.02 119.26 118.82 3dhr h ALA 88 Ca -0.06 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3dhr h ALA 88 Cb 1.23 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.17 3dhr h ALA 88 CO 0.11 0.12 -0.60 1.96 0.00 0.00 0.00 179.25 180.84 3dhr h GLN 89 N -1.00 0.22 0.00 0.00 4.20 -1.35 -3.28 115.11 113.91 3dhr h GLN 89 Ca -0.04 -0.38 -0.12 0.00 0.06 0.00 0.00 58.65 58.16 3dhr h GLN 89 Cb 0.66 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 3dhr h GLN 89 CO -0.03 1.18 -0.78 0.87 -0.67 0.00 0.00 178.83 179.41 3dhr h LYS 90 N -0.53 0.00 0.00 1.46 1.57 -1.29 -3.40 116.57 114.39 3dhr h LYS 90 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dhr h LYS 90 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3dhr h LYS 90 CO 0.11 0.73 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.08 3dhr h LEU 91 N -1.00 0.00 -1.61 2.94 3.38 -0.62 -3.49 115.31 114.92 3dhr h LEU 91 Ca -0.19 -0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.32 3dhr h LEU 91 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3dhr h LEU 91 CO -0.11 0.01 -0.83 0.54 0.09 0.00 0.00 178.44 178.13 3dhr n ARG 92 N -2.81 -4.61 -2.13 1.13 5.12 -0.84 -4.90 116.66 107.63 3dhr n ARG 92 Ca 0.02 0.56 -0.42 0.00 -1.93 0.00 0.00 57.85 56.07 3dhr n ARG 92 Cb 0.53 -5.10 -0.03 0.00 -1.16 0.00 0.00 32.46 26.71 3dhr n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dhr s VAL 93 N -3.64 3.43 0.03 1.55 1.01 -0.82 -4.95 120.40 117.01 3dhr s VAL 93 Ca 0.18 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 3dhr s VAL 93 Cb -0.09 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 3dhr s VAL 93 CO 0.84 0.01 1.92 -0.67 0.00 0.00 0.00 175.10 177.20 3dhr n ASP 94 N 5.09 3.96 -0.26 3.32 -0.08 -1.26 -4.87 116.55 122.46 3dhr n ASP 94 Ca 0.13 0.94 0.31 0.00 -1.51 0.00 0.00 54.79 54.67 3dhr n ASP 94 Cb 0.42 -1.49 0.72 0.00 2.34 0.00 0.00 41.12 43.11 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 9.81 0.03 0.00 -0.67 0.11 -1.99 -1.01 132.00 138.27 3dhr h PRO 95 Ca -0.49 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3dhr h PRO 95 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dhr h PRO 95 CO 0.94 0.02 -0.11 -0.39 -0.21 0.00 0.00 178.00 178.25 3dhr h VAL 96 N 0.03 0.64 0.00 3.15 -1.51 -2.02 -2.76 116.25 113.78 3dhr h VAL 96 Ca 0.50 -0.48 -0.06 0.00 -1.23 0.00 0.00 66.70 65.43 3dhr h VAL 96 Cb 1.96 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 32.41 3dhr h VAL 96 CO -0.03 0.11 -0.30 0.78 -1.23 0.00 0.00 177.57 176.91 3dhr h ASN 97 N 0.00 0.00 0.14 4.19 -0.26 -1.56 -2.78 115.58 115.32 3dhr h ASN 97 Ca -0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 3dhr h ASN 97 Cb 0.29 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 3dhr h ASN 97 CO 0.01 0.30 -0.38 -0.26 -1.06 0.00 0.00 177.43 176.05 3dhr h PHE 98 N 0.00 0.38 -0.80 1.19 0.04 -1.66 -1.94 116.94 114.15 3dhr h PHE 98 Ca -0.00 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 3dhr h PHE 98 Cb 0.55 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 3dhr h PHE 98 CO 0.00 0.67 0.35 0.87 -0.60 0.00 0.00 178.31 179.60 3dhr h LYS 99 N 0.28 1.17 -0.23 1.51 1.57 -1.61 -2.06 116.57 117.19 3dhr h LYS 99 Ca 0.03 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 3dhr h LYS 99 Cb 0.80 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3dhr h LYS 99 CO 0.06 0.92 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.70 3dhr h LEU 100 N 1.15 0.49 -0.60 2.94 3.38 -1.33 -2.11 115.31 119.24 3dhr h LEU 100 Ca 0.27 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3dhr h LEU 100 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3dhr h LEU 100 CO -0.03 0.78 -0.10 0.25 0.09 0.00 0.00 178.44 179.43 3dhr h LEU 101 N 0.20 1.00 -0.41 1.67 5.85 -1.37 -1.77 115.31 120.48 3dhr h LEU 101 Ca 0.05 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.48 3dhr h LEU 101 Cb 0.59 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3dhr h LEU 101 CO 0.03 1.11 0.22 1.23 -0.34 0.00 0.00 178.44 180.69 3dhr h GLY 102 N 0.95 0.57 0.94 3.75 0.00 -1.36 -0.62 103.07 107.30 3dhr h GLY 102 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3dhr h GLY 102 CO 0.05 0.12 0.52 0.84 0.00 0.00 0.00 176.54 178.07 3dhr h HIS 103 N 0.44 0.98 -0.62 5.60 -0.00 -1.25 -2.00 115.15 118.31 3dhr h HIS 103 Ca 0.17 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 3dhr h HIS 103 Cb 0.06 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 3dhr h HIS 103 CO -0.09 0.59 0.18 0.00 -0.00 0.00 0.00 177.93 178.61 3dhr h PHE 105 N 0.91 1.09 -0.59 0.00 3.57 -0.77 -1.27 116.94 119.89 3dhr h PHE 105 Ca 0.20 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3dhr h PHE 105 Cb 0.28 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3dhr h PHE 105 CO 0.02 0.80 0.24 -0.07 -2.23 0.00 0.00 178.31 177.07 3dhr h LEU 106 N 1.06 0.81 -0.34 0.59 3.38 -0.90 -1.33 115.31 118.58 3dhr h LEU 106 Ca 0.26 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3dhr h LEU 106 Cb 0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3dhr h LEU 106 CO -0.03 0.76 0.08 0.58 0.09 0.00 0.00 178.44 179.92 3dhr h VAL 107 N 0.81 0.85 -0.48 1.22 2.07 -0.99 -0.04 116.25 119.71 3dhr h VAL 107 Ca 0.20 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3dhr h VAL 107 Cb 0.20 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3dhr h VAL 107 CO -0.02 0.04 0.30 0.58 0.02 0.00 0.00 177.57 178.49 3dhr h VAL 108 N 0.21 1.09 -0.57 2.57 2.07 -0.95 -0.11 116.25 120.56 3dhr h VAL 108 Ca 0.16 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3dhr h VAL 108 Cb 0.16 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3dhr h VAL 108 CO -0.20 0.11 0.36 0.58 0.02 0.00 0.00 177.57 178.45 3dhr h VAL 109 N 0.61 1.11 -0.75 2.57 2.07 -1.01 -2.49 116.25 118.37 3dhr h VAL 109 Ca 0.18 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3dhr h VAL 109 Cb -0.04 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3dhr h VAL 109 CO -0.06 0.13 0.47 0.00 0.02 0.00 0.00 177.57 178.13 3dhr h ALA 110 N 1.23 0.96 -0.30 1.67 0.00 -0.41 0.32 119.26 122.73 3dhr h ALA 110 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dhr h ALA 110 Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3dhr h ALA 110 CO -0.07 0.41 0.18 0.28 0.00 0.00 0.00 179.25 180.05 3dhr h VAL 111 N 1.02 1.11 0.08 0.00 2.07 -0.83 -3.11 116.25 116.58 3dhr h VAL 111 Ca 0.27 -0.25 -0.31 0.00 0.82 0.00 0.00 66.70 67.23 3dhr h VAL 111 Cb -0.06 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3dhr h VAL 111 CO -0.05 0.10 -1.67 0.45 0.02 0.00 0.00 177.57 176.43 3dhr h HIS 112 N 0.38 0.30 -2.08 1.57 3.86 -1.29 -3.42 115.15 114.48 3dhr h HIS 112 Ca 0.11 -0.22 -0.57 0.00 -1.16 0.00 0.00 60.37 58.52 3dhr h HIS 112 Cb 0.01 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.07 3dhr h HIS 112 CO -0.04 1.34 -0.90 1.19 0.86 0.00 0.00 177.93 180.38 3dhr n PHE 113 N -3.33 1.28 -0.07 2.45 3.72 0.11 -4.96 117.46 116.65 3dhr n PHE 113 Ca -0.19 -3.80 0.00 0.00 -0.05 0.00 0.00 57.45 53.40 3dhr n PHE 113 Cb 1.04 -0.44 0.29 0.00 -0.94 0.00 0.00 39.48 39.44 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 4.04 0.70 0.00 -1.08 0.13 -1.71 -2.68 132.00 131.39 3dhr h PRO 114 Ca 0.12 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3dhr h PRO 114 Cb 0.79 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 3dhr h PRO 114 CO 0.61 0.57 -0.14 0.66 -0.23 0.00 0.00 178.00 179.48 3dhr h SER 115 N 0.69 0.00 -0.09 1.44 4.64 -1.93 -3.17 113.55 115.13 3dhr h SER 115 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 3dhr h SER 115 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3dhr h SER 115 CO -0.02 0.14 -0.23 0.25 -0.87 0.00 0.00 176.83 176.10 3dhr h LEU 116 N 0.00 0.36 -6.07 5.97 6.46 -1.87 -3.38 115.31 116.77 3dhr h LEU 116 Ca -0.00 -0.59 -0.72 0.00 -0.12 0.00 0.00 57.88 56.45 3dhr h LEU 116 Cb 0.95 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.71 3dhr h LEU 116 CO 0.02 0.88 2.87 -0.11 -0.62 0.00 0.00 178.44 181.47 3dhr n LEU 117 N -4.50 6.92 -4.73 2.25 7.94 -1.10 -4.79 117.00 118.98 3dhr n LEU 117 Ca -0.08 -4.30 -0.30 0.00 -1.11 0.00 0.00 56.01 50.23 3dhr n LEU 117 Cb 0.43 -1.60 0.12 0.00 0.53 0.00 0.00 43.42 42.90 3dhr n LEU 117 CO 0.40 1.24 0.68 0.42 -1.11 0.00 0.00 177.39 179.02 3dhr s THR 118 N 2.33 2.90 0.31 1.96 -4.23 -1.26 -4.73 115.64 112.93 3dhr s THR 118 Ca 0.46 0.29 0.09 0.00 -1.18 0.00 0.00 61.69 61.35 3dhr s THR 118 Cb 0.13 -2.76 0.31 0.00 1.34 0.00 0.00 72.50 71.52 3dhr s THR 118 CO -0.06 -0.38 1.69 -0.65 -0.54 0.00 0.00 174.62 174.68 3dhr h PRO 119 N -1.40 0.41 -0.02 3.99 0.11 -1.98 -0.28 132.00 132.83 3dhr h PRO 119 Ca -0.47 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 3dhr h PRO 119 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3dhr h PRO 119 CO 0.53 0.27 -0.80 1.05 -0.21 0.00 0.00 178.00 178.84 3dhr h GLU 120 N 0.42 0.25 -0.07 1.05 4.11 -1.96 -2.48 114.58 115.90 3dhr h GLU 120 Ca 0.64 -0.24 -0.22 0.00 0.07 0.00 0.00 59.36 59.61 3dhr h GLU 120 Cb 1.29 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3dhr h GLU 120 CO -0.54 0.93 -0.83 0.28 0.07 0.00 0.00 179.01 178.91 3dhr h VAL 121 N 0.16 1.34 -0.26 -1.06 2.07 -1.72 -2.75 116.25 114.02 3dhr h VAL 121 Ca -0.04 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.37 3dhr h VAL 121 Cb 1.40 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 33.28 3dhr h VAL 121 CO 0.13 0.66 -0.12 -0.74 0.02 0.00 0.00 177.57 177.52 3dhr h HIS 122 N 0.36 -0.29 -0.48 1.57 -0.00 -1.04 -0.47 115.15 114.80 3dhr h HIS 122 Ca -0.06 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.39 3dhr h HIS 122 Cb 1.45 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 28.98 3dhr h HIS 122 CO 0.07 -0.18 0.21 0.00 -0.00 0.00 0.00 177.93 178.03 3dhr h ALA 123 N 1.13 0.60 -0.22 5.26 0.00 -1.39 0.00 119.26 124.65 3dhr h ALA 123 Ca 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dhr h ALA 123 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dhr h ALA 123 CO -0.31 -0.15 0.07 0.77 0.00 0.00 0.00 179.25 179.62 3dhr h SER 124 N 0.42 0.31 -0.00 0.00 0.02 -1.19 -1.48 113.55 111.63 3dhr h SER 124 Ca 0.22 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3dhr h SER 124 Cb 0.17 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3dhr h SER 124 CO -0.18 0.43 -0.19 0.25 -1.14 0.00 0.00 176.83 176.00 3dhr h LEU 125 N 0.18 0.34 -0.02 5.07 5.85 -0.93 -0.16 115.31 125.65 3dhr h LEU 125 Ca 0.07 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3dhr h LEU 125 Cb 0.23 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3dhr h LEU 125 CO -0.00 0.55 0.01 -0.78 -0.34 0.00 0.00 178.44 177.88 3dhr h ASP 126 N 0.32 0.03 -0.80 1.25 3.58 -0.83 -1.11 116.42 118.86 3dhr h ASP 126 Ca 0.06 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.36 3dhr h ASP 126 Cb 0.52 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 3dhr h ASP 126 CO 0.03 0.19 0.53 0.11 -2.88 0.00 0.00 179.24 177.22 3dhr h LYS 127 N -0.13 1.02 -0.10 0.28 1.57 -0.89 -1.68 116.57 116.65 3dhr h LYS 127 Ca 0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3dhr h LYS 127 Cb 0.17 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dhr h LYS 127 CO -0.00 0.68 -0.01 0.35 -0.57 0.00 0.00 179.45 179.90 3dhr h PHE 128 N 1.05 0.19 -0.53 -1.35 3.57 -0.89 -1.74 116.94 117.23 3dhr h PHE 128 Ca 0.30 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 3dhr h PHE 128 Cb -0.07 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3dhr h PHE 128 CO -0.00 0.44 0.04 0.28 -2.23 0.00 0.00 178.31 176.84 3dhr h VAL 129 N -0.12 1.25 -0.05 1.41 2.07 -1.06 -1.61 116.25 118.14 3dhr h VAL 129 Ca 0.03 -0.99 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 3dhr h VAL 129 Cb 0.37 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3dhr h VAL 129 CO 0.01 0.36 -0.47 -0.07 0.02 0.00 0.00 177.57 177.41 3dhr h LEU 130 N 0.82 0.12 -0.58 2.57 3.38 -1.31 -1.78 115.31 118.53 3dhr h LEU 130 Ca 0.16 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 3dhr h LEU 130 Cb 0.43 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3dhr h LEU 130 CO 0.02 0.58 -0.34 0.00 0.09 0.00 0.00 178.44 178.79 3dhr h ALA 131 N 1.43 0.76 -0.20 1.53 0.00 -0.92 -1.58 119.26 120.27 3dhr h ALA 131 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3dhr h ALA 131 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dhr h ALA 131 CO 0.07 0.65 0.10 0.28 0.00 0.00 0.00 179.25 180.35 3dhr h VAL 132 N 0.65 1.13 -0.79 0.00 2.07 -1.04 -1.68 116.25 116.59 3dhr h VAL 132 Ca 0.07 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dhr h VAL 132 Cb 0.88 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3dhr h VAL 132 CO 0.08 0.12 0.51 1.23 0.02 0.00 0.00 177.57 179.53 3dhr h GLY 133 N 0.20 1.12 0.92 2.17 0.00 -1.28 -1.61 103.07 104.59 3dhr h GLY 133 Ca 0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3dhr h GLY 133 CO -0.01 0.42 0.12 -0.84 0.00 0.00 0.00 176.54 176.23 3dhr h THR 134 N 1.07 1.18 -0.61 4.70 2.02 -1.10 -2.28 112.91 117.89 3dhr h THR 134 Ca 0.29 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3dhr h THR 134 Cb -0.10 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3dhr h THR 134 CO -0.06 0.19 0.36 0.58 0.37 0.00 0.00 175.52 176.96 3dhr h VAL 135 N 0.35 1.18 0.00 3.16 2.07 -1.01 -1.96 116.25 120.04 3dhr h VAL 135 Ca 0.10 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3dhr h VAL 135 Cb 0.19 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3dhr h VAL 135 CO -0.01 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.95 3dhr n LEU 136 N -4.60 0.49 -0.57 2.57 4.77 -0.63 -2.28 117.00 116.74 3dhr n LEU 136 Ca 0.04 0.60 0.06 0.00 -0.03 0.00 0.00 56.01 56.68 3dhr n LEU 136 Cb 0.06 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 40.82 3dhr n LEU 136 CO 0.36 -0.36 0.63 0.35 -1.33 0.00 0.00 177.39 177.04 3dhr n THR 137 N -2.01 1.50 -0.23 -5.08 -2.24 -0.87 -3.77 114.28 101.59 3dhr n THR 137 Ca 0.04 -1.41 -0.06 0.00 -2.27 0.00 0.00 64.05 60.35 3dhr n THR 137 Cb 0.27 0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.46 0.81 -3.33 6.98 0.00 -0.93 -3.39 119.26 120.86 3dhr h ALA 138 Ca 0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 3dhr h ALA 138 Cb 0.95 -0.26 -0.40 0.00 0.00 0.00 0.00 17.79 18.09 3dhr h ALA 138 CO 0.07 0.29 -0.71 0.15 0.00 0.00 0.00 179.25 179.06 3dhr s LYS 139 N -5.97 1.39 -0.15 0.00 1.02 -1.26 -4.93 119.74 109.84 3dhr s LYS 139 Ca -0.13 -1.93 0.14 0.00 0.02 0.00 0.00 55.97 54.08 3dhr s LYS 139 Cb 0.13 -2.77 -0.24 0.00 -0.52 0.00 0.00 37.83 34.44 3dhr s LYS 139 CO 0.77 -1.05 0.24 0.66 -0.92 0.00 0.00 175.35 175.05 3dhr n TYR 140 N 3.92 0.34 0.36 3.18 4.01 -1.26 -4.21 117.16 123.50 3dhr n TYR 140 Ca 0.04 0.12 0.03 0.00 -0.16 0.00 0.00 57.90 57.93 3dhr n TYR 140 Cb 0.38 -1.06 0.17 0.00 -0.31 0.00 0.00 39.34 38.52 3dhr n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94