#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 2.62 0.84 6.55 1.43 -1.26 -5.09 118.68 123.77 3dhr s LEU 2 Ca 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 3dhr s LEU 2 Cb 0.00 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 44.76 3dhr s LEU 2 CO 0.00 0.25 1.13 -0.94 0.23 0.00 0.00 176.35 177.02 3dhr s SER 3 N -0.14 4.16 0.44 2.29 1.04 -1.26 -4.86 113.70 115.37 3dhr s SER 3 Ca -0.01 1.04 0.15 0.00 0.48 0.00 0.00 55.95 57.60 3dhr s SER 3 Cb -0.14 -1.66 1.00 0.00 0.10 0.00 0.00 66.02 65.32 3dhr s SER 3 CO 0.03 -2.15 1.98 0.00 0.98 0.00 0.00 173.24 174.09 3dhr h ALA 4 N -1.22 1.67 -0.42 5.32 0.00 -2.00 -1.46 119.26 121.15 3dhr h ALA 4 Ca -0.48 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 3dhr h ALA 4 Cb 1.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3dhr h ALA 4 CO 0.62 0.24 -0.32 -0.97 0.00 0.00 0.00 179.25 178.82 3dhr h ASN 5 N 0.00 1.01 -0.03 0.00 -0.73 -1.99 -2.27 115.58 111.58 3dhr h ASN 5 Ca -0.00 -0.44 -0.00 0.00 1.87 0.00 0.00 56.30 57.73 3dhr h ASN 5 Cb 0.35 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 3dhr h ASN 5 CO 0.03 1.24 0.01 0.44 -0.37 0.00 0.00 177.43 178.77 3dhr h ASP 6 N 0.80 0.04 -0.81 1.15 3.32 -1.79 -1.97 116.42 117.16 3dhr h ASP 6 Ca 0.08 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.98 3dhr h ASP 6 Cb 0.92 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 3dhr h ASP 6 CO 0.09 0.22 0.53 0.11 -1.72 0.00 0.00 179.24 178.47 3dhr h LYS 7 N -0.15 0.90 -0.58 3.56 1.57 -1.32 -0.86 116.57 119.70 3dhr h LYS 7 Ca 0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3dhr h LYS 7 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dhr h LYS 7 CO -0.00 0.60 -0.01 1.03 -0.57 0.00 0.00 179.45 180.50 3dhr h SER 8 N 0.93 1.01 -0.31 0.86 0.87 -1.30 -2.16 113.55 113.46 3dhr h SER 8 Ca 0.34 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3dhr h SER 8 Cb 0.15 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3dhr h SER 8 CO -0.11 1.08 0.01 0.78 -0.53 0.00 0.00 176.83 178.06 3dhr h ASN 9 N 0.92 0.52 -0.40 6.23 -0.26 -0.53 -1.89 115.58 120.17 3dhr h ASN 9 Ca 0.16 -0.30 -0.04 0.00 -0.56 0.00 0.00 56.30 55.56 3dhr h ASN 9 Cb 0.57 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 3dhr h ASN 9 CO 0.03 0.69 0.07 0.58 -1.06 0.00 0.00 177.43 177.75 3dhr h VAL 10 N 0.34 1.24 0.00 2.81 2.07 -1.20 -0.86 116.25 120.65 3dhr h VAL 10 Ca 0.09 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 3dhr h VAL 10 Cb 0.41 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3dhr h VAL 10 CO 0.01 0.29 -0.24 0.11 0.02 0.00 0.00 177.57 177.76 3dhr h LYS 11 N 0.50 0.00 -0.40 1.57 1.57 -1.41 -1.37 116.57 117.03 3dhr h LYS 11 Ca 0.12 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 3dhr h LYS 11 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3dhr h LYS 11 CO 0.01 0.24 -0.37 0.00 -0.57 0.00 0.00 179.45 178.76 3dhr h ALA 12 N 1.76 0.58 -0.06 3.86 0.00 -0.97 -2.60 119.26 121.82 3dhr h ALA 12 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dhr h ALA 12 Cb 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dhr h ALA 12 CO 0.03 0.68 0.02 0.28 0.00 0.00 0.00 179.25 180.26 3dhr h VAL 13 N 0.78 1.16 0.00 0.00 2.07 -0.37 -2.08 116.25 117.81 3dhr h VAL 13 Ca 0.07 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3dhr h VAL 13 Cb 0.97 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3dhr h VAL 13 CO 0.09 0.14 0.00 -0.26 0.02 0.00 0.00 177.57 177.56 3dhr h PHE 14 N -0.09 0.00 -0.12 1.57 0.04 -1.37 -0.73 116.94 116.24 3dhr h PHE 14 Ca 0.02 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 3dhr h PHE 14 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3dhr h PHE 14 CO -0.01 0.00 -0.39 0.00 -0.60 0.00 0.00 178.31 177.31 3dhr h ALA 15 N 2.33 0.21 -0.27 2.45 0.00 -1.38 -0.81 119.26 121.80 3dhr h ALA 15 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3dhr h ALA 15 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3dhr h ALA 15 CO 0.00 0.31 0.13 -0.22 0.00 0.00 0.00 179.25 179.48 3dhr h LYS 16 N 0.08 0.38 0.42 0.00 1.63 -1.03 -3.16 116.57 114.90 3dhr h LYS 16 Ca -0.01 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 3dhr h LYS 16 Cb 1.01 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 3dhr h LYS 16 CO 0.08 0.36 -0.20 0.82 -3.45 0.00 0.00 179.45 177.07 3dhr h ILE 17 N 0.31 0.59 0.00 2.00 2.04 -1.21 -3.47 117.51 117.76 3dhr h ILE 17 Ca 0.09 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3dhr h ILE 17 Cb 0.10 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3dhr h ILE 17 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3dhr n GLY 18 N -1.24 3.94 0.00 5.37 0.00 -0.31 -2.12 105.19 110.83 3dhr n GLY 18 Ca -0.11 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.99 0.04 -0.02 0.00 -1.26 -2.97 105.19 99.99 3dhr n GLY 19 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.11 0.35 -0.25 1.61 6.02 -0.90 -4.35 117.38 118.75 3dhr n GLN 20 Ca 0.18 -0.08 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 3dhr n GLN 20 Cb 0.14 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.03 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 3.32 0.67 -0.19 -1.58 0.00 -1.72 -2.16 119.26 117.61 3dhr h ALA 21 Ca 0.00 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3dhr h ALA 21 Cb 0.40 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3dhr h ALA 21 CO 0.00 -0.42 -0.05 0.78 0.00 0.00 0.00 179.25 179.55 3dhr h GLY 22 N 0.07 0.13 1.27 0.00 0.00 -1.88 -0.99 103.07 101.67 3dhr h GLY 22 Ca 0.38 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 3dhr h GLY 22 CO -0.67 -0.08 0.25 -0.55 0.00 0.00 0.00 176.54 175.49 3dhr h ASP 23 N -0.01 0.86 -0.23 0.19 5.19 -1.71 -2.34 116.42 118.37 3dhr h ASP 23 Ca 0.10 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.26 3dhr h ASP 23 Cb 0.15 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 3dhr h ASP 23 CO -0.21 0.77 -0.31 -0.07 -3.12 0.00 0.00 179.24 176.31 3dhr h LEU 24 N 0.92 0.76 -0.93 1.55 3.38 -1.12 -1.95 115.31 117.92 3dhr h LEU 24 Ca 0.22 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dhr h LEU 24 Cb 0.19 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3dhr h LEU 24 CO -0.02 1.01 0.56 1.23 0.09 0.00 0.00 178.44 181.31 3dhr h GLY 25 N 0.96 1.34 1.00 0.83 0.00 -0.89 -0.32 103.07 105.99 3dhr h GLY 25 Ca 0.07 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 3dhr h GLY 25 CO 0.07 0.54 0.14 -1.33 0.00 0.00 0.00 176.54 175.96 3dhr h GLY 26 N 1.28 0.97 1.34 4.60 0.00 -1.22 -2.41 103.07 107.63 3dhr h GLY 26 Ca 0.33 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 3dhr h GLY 26 CO -0.06 0.56 -0.25 -2.09 0.00 0.00 0.00 176.54 174.70 3dhr h GLU 27 N 0.80 0.75 -0.81 4.80 4.81 -1.06 -2.02 114.58 121.86 3dhr h GLU 27 Ca 0.18 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 3dhr h GLU 27 Cb 0.34 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3dhr h GLU 27 CO 0.00 0.92 0.35 0.00 -0.73 0.00 0.00 179.01 179.55 3dhr h ALA 28 N 1.07 1.09 -0.30 2.92 0.00 -0.97 -1.02 119.26 122.04 3dhr h ALA 28 Ca 0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3dhr h ALA 28 Cb 0.76 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dhr h ALA 28 CO 0.06 0.66 -0.18 -0.07 0.00 0.00 0.00 179.25 179.72 3dhr h LEU 29 N 1.16 0.68 -0.81 0.00 3.38 -1.32 -1.71 115.31 116.70 3dhr h LEU 29 Ca 0.27 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3dhr h LEU 29 Cb 0.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3dhr h LEU 29 CO -0.03 0.96 0.47 -0.08 0.09 0.00 0.00 178.44 179.85 3dhr h GLU 30 N 0.41 1.12 -0.60 1.13 4.81 -1.20 -1.81 114.58 118.44 3dhr h GLU 30 Ca 0.06 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3dhr h GLU 30 Cb 0.72 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3dhr h GLU 30 CO 0.05 0.80 0.02 0.00 -0.73 0.00 0.00 179.01 179.15 3dhr h ARG 31 N 1.12 1.05 0.12 1.92 3.08 -1.16 -2.37 114.38 118.13 3dhr h ARG 31 Ca 0.29 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3dhr h ARG 31 Cb -0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3dhr h ARG 31 CO -0.05 1.01 -0.21 1.25 -1.07 0.00 0.00 179.97 180.90 3dhr h LEU 32 N 0.96 -0.58 -0.94 3.04 7.12 -0.94 0.42 115.31 124.40 3dhr h LEU 32 Ca 0.17 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 3dhr h LEU 32 Cb 0.53 0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.83 3dhr h LEU 32 CO 0.03 -0.29 0.55 -0.26 -0.13 0.00 0.00 178.44 178.33 3dhr h PHE 33 N -0.40 1.25 -0.00 1.25 0.04 -1.25 0.31 116.94 118.14 3dhr h PHE 33 Ca 0.02 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 3dhr h PHE 33 Cb 0.41 -0.41 0.01 0.00 2.20 0.00 0.00 35.95 38.16 3dhr h PHE 33 CO -0.20 0.84 -0.45 0.82 -0.60 0.00 0.00 178.31 178.72 3dhr h ILE 34 N 1.30 1.47 -0.15 -0.55 2.04 -1.37 -3.21 117.51 117.05 3dhr h ILE 34 Ca 0.33 -2.02 -0.22 0.00 1.00 0.00 0.00 64.86 63.95 3dhr h ILE 34 Cb -0.03 2.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3dhr h ILE 34 CO -0.06 0.57 -0.79 0.74 0.00 0.00 0.00 178.15 178.62 3dhr h THR 35 N -0.26 1.28 -2.83 -0.27 2.02 -0.83 -3.39 112.91 108.63 3dhr h THR 35 Ca -0.06 -1.98 -0.61 0.00 0.77 0.00 0.00 66.41 64.53 3dhr h THR 35 Cb 1.18 1.99 -0.41 0.00 -1.74 0.00 0.00 68.15 69.17 3dhr h THR 35 CO 0.09 0.63 -0.68 -1.22 0.37 0.00 0.00 175.52 174.71 3dhr n TYR 36 N -3.93 2.22 0.29 3.16 4.01 0.11 -4.98 117.16 118.03 3dhr n TYR 36 Ca -0.07 -4.05 0.18 0.00 -0.16 0.00 0.00 57.90 53.79 3dhr n TYR 36 Cb 0.75 -0.41 0.90 0.00 -0.31 0.00 0.00 39.34 40.27 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 5.32 0.00 0.00 -0.72 0.11 -1.74 -1.35 132.00 133.62 3dhr h PRO 37 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3dhr h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3dhr h PRO 37 CO 0.64 0.00 -0.07 -0.56 -0.21 0.00 0.00 178.00 177.80 3dhr h GLN 38 N 0.00 0.00 0.00 1.05 -0.00 -1.92 -2.48 115.11 111.76 3dhr h GLN 38 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 3dhr h GLN 38 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.60 3dhr h GLN 38 CO 0.00 0.07 -0.06 1.79 -0.00 0.00 0.00 178.83 180.63 3dhr h THR 39 N 0.00 0.17 -0.36 1.86 1.35 -1.57 -2.95 112.91 111.41 3dhr h THR 39 Ca -0.00 -0.59 0.10 0.00 -0.55 0.00 0.00 66.41 65.38 3dhr h THR 39 Cb 0.24 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3dhr h THR 39 CO 0.01 0.06 0.28 0.11 -0.25 0.00 0.00 175.52 175.72 3dhr h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.64 -2.46 116.57 118.76 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 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3dhr h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 3dhr h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.73 0.13 112.91 112.50 3dhr h THR 41 Ca 0.17 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3dhr h THR 41 Cb 0.72 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3dhr h THR 41 CO -0.00 0.00 -0.29 1.88 -0.25 0.00 0.00 175.52 176.85 3dhr h TYR 42 N 0.00 0.00 -2.17 4.73 0.05 -1.68 -3.36 116.97 114.53 3dhr h TYR 42 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 3dhr h TYR 42 Cb 0.13 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.46 3dhr h TYR 42 CO 0.00 0.00 -0.80 1.19 -1.05 0.00 0.00 178.16 177.50 3dhr n PHE 43 N -2.38 2.95 0.27 4.88 3.72 0.43 -4.96 117.46 122.38 3dhr n PHE 43 Ca 0.04 -3.91 0.13 0.00 -0.05 0.00 0.00 57.45 53.65 3dhr n PHE 43 Cb 0.46 -0.46 0.78 0.00 -0.94 0.00 0.00 39.48 39.32 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 2.97 0.00 -0.30 -1.08 0.13 -1.71 -2.75 132.00 129.27 3dhr h PRO 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3dhr h PRO 44 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3dhr h PRO 44 CO 0.73 0.07 0.00 0.72 -0.23 0.00 0.00 178.00 179.29 3dhr n HIS 45 N -3.87 0.39 -2.13 1.56 8.25 -1.26 -5.01 115.22 113.15 3dhr n HIS 45 Ca -0.02 -0.39 -0.41 0.00 -0.26 0.00 0.00 57.72 56.63 3dhr n HIS 45 Cb 0.16 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.00 3.14 -0.32 4.41 2.99 -1.04 -4.97 117.98 121.20 3dhr s PHE 46 Ca 0.23 1.18 -0.28 0.00 0.00 0.00 0.00 56.93 58.05 3dhr s PHE 46 Cb 0.12 -3.69 -0.02 0.00 0.00 0.00 0.00 43.02 39.44 3dhr s PHE 46 CO 0.17 -2.16 1.75 0.34 -0.00 0.00 0.00 175.22 175.32 3dhr s ASP 47 N 0.22 5.98 0.00 1.36 2.15 -1.26 -4.88 116.67 120.24 3dhr s ASP 47 Ca 0.56 1.31 0.23 0.00 0.43 0.00 0.00 52.55 55.08 3dhr s ASP 47 Cb -0.39 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.13 3dhr s ASP 47 CO 0.42 -1.63 1.40 0.18 -0.17 0.00 0.00 175.17 175.37 3dhr n LEU 48 N 9.94 3.49 -4.69 -1.34 4.77 -1.26 -4.48 117.00 123.43 3dhr n LEU 48 Ca 0.22 -1.52 -0.39 0.00 -0.03 0.00 0.00 56.01 54.29 3dhr n LEU 48 Cb 0.47 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3dhr n LEU 48 CO 0.68 0.75 0.80 -1.54 -1.33 0.00 0.00 177.39 176.76 3dhr n SER 49 N 1.50 1.98 -4.66 -1.43 3.41 -1.26 -4.86 113.62 108.30 3dhr n SER 49 Ca 0.19 0.96 -0.47 0.00 -0.26 0.00 0.00 58.87 59.30 3dhr n SER 49 Cb 0.61 -1.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.03 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 -1.01 2.21 -2.81 7.33 -0.00 -1.26 -2.03 115.22 117.65 3dhr n HIS 50 Ca 0.11 0.26 -0.17 0.00 0.46 0.00 0.00 57.72 58.38 3dhr n HIS 50 Cb 0.44 -2.54 0.03 0.00 -0.12 0.00 0.00 29.99 27.79 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 3.49 -0.24 3.78 1.57 0.00 -1.26 -5.00 105.19 107.53 3dhr n GLY 51 Ca 0.18 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.75 5.69 0.44 1.61 1.04 -0.86 -4.86 113.70 114.00 3dhr s SER 52 Ca 0.22 2.07 0.12 0.00 0.48 0.00 0.00 55.95 58.83 3dhr s SER 52 Cb -0.10 -2.57 0.96 0.00 0.10 0.00 0.00 66.02 64.42 3dhr s SER 52 CO 0.27 -1.23 2.01 0.00 0.98 0.00 0.00 173.24 175.27 3dhr h ALA 53 N 0.93 1.70 -0.26 5.32 0.00 -1.91 0.16 119.26 125.19 3dhr h ALA 53 Ca -0.49 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 3dhr h ALA 53 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dhr h ALA 53 CO 0.57 0.23 -0.07 1.96 0.00 0.00 0.00 179.25 181.93 3dhr h GLN 54 N 0.17 0.52 -0.22 0.00 4.20 -1.92 0.23 115.11 118.08 3dhr h GLN 54 Ca 0.04 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 3dhr h GLN 54 Cb 0.21 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3dhr h GLN 54 CO 0.01 0.74 -0.01 0.82 -0.67 0.00 0.00 178.83 179.71 3dhr h ILE 55 N 0.27 1.26 -0.24 2.54 2.04 -1.70 0.53 117.51 122.21 3dhr h ILE 55 Ca 0.07 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.03 3dhr h ILE 55 Cb 0.55 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3dhr h ILE 55 CO 0.03 0.28 0.07 0.11 0.00 0.00 0.00 178.15 178.64 3dhr h LYS 56 N 0.14 0.16 -0.43 2.37 1.57 -0.99 0.21 116.57 119.60 3dhr h LYS 56 Ca 0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3dhr h LYS 56 Cb 0.43 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3dhr h LYS 56 CO 0.01 0.11 0.16 0.78 -0.57 0.00 0.00 179.45 179.94 3dhr h GLY 57 N 0.17 0.71 1.56 3.86 0.00 -0.50 -1.74 103.07 107.13 3dhr h GLY 57 Ca 0.10 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 3dhr h GLY 57 CO -0.12 0.38 -0.63 0.84 0.00 0.00 0.00 176.54 177.01 3dhr h HIS 58 N 0.56 0.58 -0.76 5.60 -0.00 -0.81 -2.86 115.15 117.45 3dhr h HIS 58 Ca 0.14 -0.23 0.04 0.00 -0.00 0.00 0.00 60.37 60.33 3dhr h HIS 58 Cb 0.23 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 3dhr h HIS 58 CO 0.01 0.95 0.47 0.78 -0.00 0.00 0.00 177.93 180.14 3dhr h GLY 59 N 1.20 1.11 0.97 5.26 0.00 -0.45 -1.34 103.07 109.82 3dhr h GLY 59 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3dhr h GLY 59 CO 0.11 0.28 0.24 1.70 0.00 0.00 0.00 176.54 178.87 3dhr h LYS 60 N 0.91 0.67 -0.65 4.80 3.64 -1.25 -1.34 116.57 123.35 3dhr h LYS 60 Ca 0.31 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3dhr h LYS 60 Cb 0.06 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3dhr h LYS 60 CO -0.13 0.56 0.19 0.87 -2.27 0.00 0.00 179.45 178.67 3dhr h LYS 61 N 0.62 1.00 -0.20 1.90 1.57 -1.25 0.27 116.57 120.48 3dhr h LYS 61 Ca 0.16 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3dhr h LYS 61 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3dhr h LYS 61 CO -0.02 0.87 0.06 0.28 -0.57 0.00 0.00 179.45 180.06 3dhr h VAL 62 N 0.97 1.20 -0.57 0.50 2.07 -1.09 -2.79 116.25 116.53 3dhr h VAL 62 Ca 0.21 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3dhr h VAL 62 Cb 0.29 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3dhr h VAL 62 CO -0.01 0.20 0.13 0.00 0.02 0.00 0.00 177.57 177.91 3dhr h ALA 63 N 0.87 1.15 -0.43 1.67 0.00 -1.01 -2.59 119.26 118.92 3dhr h ALA 63 Ca 0.06 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dhr h ALA 63 Cb 0.25 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3dhr h ALA 63 CO -0.00 0.57 0.14 0.93 0.00 0.00 0.00 179.25 180.90 3dhr h GLU 64 N 0.85 0.30 -0.63 0.00 5.08 -0.89 -0.30 114.58 118.99 3dhr h GLU 64 Ca 0.18 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3dhr h GLU 64 Cb 0.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3dhr h GLU 64 CO 0.00 0.20 0.17 0.00 -1.00 0.00 0.00 179.01 178.38 3dhr h ALA 65 N 1.29 1.11 -0.40 3.43 0.00 -1.22 -0.61 119.26 122.86 3dhr h ALA 65 Ca 0.20 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3dhr h ALA 65 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dhr h ALA 65 CO -0.22 0.60 -0.28 -0.07 0.00 0.00 0.00 179.25 179.28 3dhr h LEU 66 N 0.93 0.89 -0.39 0.00 3.38 -1.14 -1.62 115.31 117.36 3dhr h LEU 66 Ca 0.20 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3dhr h LEU 66 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3dhr h LEU 66 CO -0.00 1.11 0.17 0.58 0.09 0.00 0.00 178.44 180.38 3dhr h VAL 67 N 0.73 1.19 -0.74 1.22 2.07 -0.76 -2.03 116.25 117.93 3dhr h VAL 67 Ca 0.08 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3dhr h VAL 67 Cb 0.84 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3dhr h VAL 67 CO 0.07 0.21 0.32 -0.08 0.02 0.00 0.00 177.57 178.11 3dhr h GLU 68 N 0.49 1.09 0.00 1.57 4.81 -1.04 -2.23 114.58 119.27 3dhr h GLU 68 Ca 0.13 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3dhr h GLU 68 Cb 0.17 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3dhr h GLU 68 CO -0.01 0.88 -0.20 0.00 -0.73 0.00 0.00 179.01 178.95 3dhr h ALA 69 N 1.16 1.46 -0.06 2.92 0.00 -1.19 -2.62 119.26 120.92 3dhr h ALA 69 Ca 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3dhr h ALA 69 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dhr h ALA 69 CO -0.03 0.24 -0.17 0.00 0.00 0.00 0.00 179.25 179.30 3dhr h ALA 70 N 1.80 0.10 -0.19 0.00 0.00 -0.76 -2.48 119.26 117.73 3dhr h ALA 70 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3dhr h ALA 70 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dhr h ALA 70 CO 0.03 0.03 0.00 0.27 0.00 0.00 0.00 179.25 179.58 3dhr n ASN 71 N -4.59 1.79 -2.67 0.00 0.23 -1.04 -2.82 115.26 106.17 3dhr n ASN 71 Ca -0.08 -2.14 -0.08 0.00 -0.53 0.00 0.00 54.58 51.75 3dhr n ASN 71 Cb 0.40 -0.35 0.04 0.00 -2.08 0.00 0.00 39.78 37.78 3dhr n ASN 71 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3dhr n HIS 72 N 0.16 1.51 0.36 -2.53 8.25 -0.99 -4.94 115.22 117.04 3dhr n HIS 72 Ca 0.08 -2.48 0.14 0.00 -0.26 0.00 0.00 57.72 55.20 3dhr n HIS 72 Cb 0.36 -0.29 0.56 0.00 1.12 0.00 0.00 29.99 31.74 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 4.05 0.00 0.00 1.59 2.10 -1.28 -1.00 117.51 122.97 3dhr h ILE 73 Ca -0.05 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.55 3dhr h ILE 73 Cb 1.23 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 3dhr h ILE 73 CO 0.41 0.00 -0.20 0.44 -1.08 0.00 0.00 178.15 177.72 3dhr h ASP 74 N 0.00 0.00 -1.86 2.19 3.32 -1.88 -3.40 116.42 114.79 3dhr h ASP 74 Ca 0.00 -0.02 -0.46 0.00 0.02 0.00 0.00 57.03 56.58 3dhr h ASP 74 Cb 0.43 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.67 3dhr h ASP 74 CO 0.00 0.01 -0.85 -0.67 -1.72 0.00 0.00 179.24 176.01 3dhr n ASP 75 N -2.80 -1.30 0.02 6.45 2.03 -0.41 -5.00 116.55 115.56 3dhr n ASP 75 Ca 0.04 -2.59 -0.13 0.00 0.52 0.00 0.00 54.79 52.62 3dhr n ASP 75 Cb 0.51 0.14 -0.02 0.00 -0.72 0.00 0.00 41.12 41.03 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 4.35 1.33 -0.65 5.18 2.04 -1.71 -3.20 117.51 124.86 3dhr h ILE 76 Ca 0.17 -2.10 -0.02 0.00 1.00 0.00 0.00 64.86 63.92 3dhr h ILE 76 Cb 0.96 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 39.10 3dhr h ILE 76 CO 0.29 0.64 0.31 0.00 0.00 0.00 0.00 178.15 179.40 3dhr h ALA 77 N 0.75 1.34 -0.04 1.87 0.00 -1.94 -2.55 119.26 118.69 3dhr h ALA 77 Ca -0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3dhr h ALA 77 Cb 1.38 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3dhr h ALA 77 CO 0.15 0.52 -0.95 0.78 0.00 0.00 0.00 179.25 179.75 3dhr h GLY 78 N 0.99 0.72 2.00 0.00 0.00 -1.96 -2.70 103.07 102.12 3dhr h GLY 78 Ca 0.23 -1.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.29 3dhr h GLY 78 CO -0.03 1.06 -0.35 0.00 0.00 0.00 0.00 176.54 177.22 3dhr h ALA 79 N 0.54 1.13 -0.33 3.60 0.00 -1.51 -3.11 119.26 119.58 3dhr h ALA 79 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dhr h ALA 79 Cb 1.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3dhr h ALA 79 CO 0.18 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.15 3dhr n LEU 80 N -3.70 2.87 -0.29 0.00 4.77 -0.98 -4.81 117.00 114.87 3dhr n LEU 80 Ca -0.01 -2.00 0.09 0.00 -0.03 0.00 0.00 56.01 54.06 3dhr n LEU 80 Cb 0.45 -0.22 0.22 0.00 -2.33 0.00 0.00 43.42 41.54 3dhr n LEU 80 CO 0.36 0.72 0.85 -1.28 -1.33 0.00 0.00 177.39 176.72 3dhr h SER 81 N 1.91 -0.27 -0.22 -1.43 0.87 -1.40 -0.87 113.55 112.13 3dhr h SER 81 Ca 0.00 0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 3dhr h SER 81 Cb 0.72 0.35 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 3dhr h SER 81 CO 0.00 -0.21 -0.20 0.11 -0.53 0.00 0.00 176.83 176.01 3dhr h LYS 82 N 0.12 0.67 0.00 2.24 1.57 -1.87 -2.92 116.57 116.38 3dhr h LYS 82 Ca 0.49 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3dhr h LYS 82 Cb 0.94 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3dhr h LYS 82 CO -0.72 0.82 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.72 3dhr h LEU 83 N 0.59 0.00 -0.75 2.94 3.38 -1.54 -2.89 115.31 117.04 3dhr h LEU 83 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3dhr h LEU 83 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dhr h LEU 83 CO 0.05 0.20 -0.06 0.28 0.09 0.00 0.00 178.44 178.99 3dhr h SER 84 N 0.00 0.87 -0.46 -0.43 0.02 -1.26 -2.07 113.55 110.23 3dhr h SER 84 Ca -0.00 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3dhr h SER 84 Cb 0.88 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3dhr h SER 84 CO 0.03 0.97 0.11 0.44 -1.14 0.00 0.00 176.83 177.24 3dhr h ASP 85 N 0.81 0.69 -0.43 3.07 3.32 -1.51 -1.76 116.42 120.62 3dhr h ASP 85 Ca 0.14 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3dhr h ASP 85 Cb 0.57 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3dhr h ASP 85 CO 0.03 0.75 0.05 0.25 -1.72 0.00 0.00 179.24 178.60 3dhr h LEU 86 N 0.61 0.70 0.12 1.55 5.85 -1.42 -1.56 115.31 121.15 3dhr h LEU 86 Ca 0.14 -0.27 -0.21 0.00 0.84 0.00 0.00 57.88 58.38 3dhr h LEU 86 Cb 0.32 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.19 3dhr h LEU 86 CO 0.00 0.80 -0.90 0.45 -0.34 0.00 0.00 178.44 178.45 3dhr h HIS 87 N 0.57 0.67 0.00 1.25 3.86 -1.39 0.16 115.15 120.28 3dhr h HIS 87 Ca 0.13 -0.45 -0.07 0.00 -1.16 0.00 0.00 60.37 58.81 3dhr h HIS 87 Cb 0.41 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3dhr h HIS 87 CO 0.03 1.33 -0.40 0.00 0.86 0.00 0.00 177.93 179.75 3dhr h ALA 88 N 0.17 0.08 0.14 2.45 0.00 -1.39 -1.68 119.26 119.04 3dhr h ALA 88 Ca -0.15 -0.72 -0.24 0.00 0.00 0.00 0.00 54.91 53.81 3dhr h ALA 88 Cb 1.67 0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.70 3dhr h ALA 88 CO 0.17 0.22 -1.15 1.96 0.00 0.00 0.00 179.25 180.46 3dhr h GLN 89 N -1.00 0.31 0.00 0.00 4.20 -1.44 -3.30 115.11 113.88 3dhr h GLN 89 Ca -0.11 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.08 3dhr h GLN 89 Cb 1.08 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3dhr h GLN 89 CO -0.07 1.25 -0.31 0.87 -0.67 0.00 0.00 178.83 179.91 3dhr h LYS 90 N -0.28 0.00 0.00 1.46 1.57 -1.42 -3.41 116.57 114.50 3dhr h LYS 90 Ca -0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3dhr h LYS 90 Cb 1.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 3dhr h LYS 90 CO 0.13 0.00 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.62 3dhr h LEU 91 N -0.98 0.00 -1.36 2.94 3.38 -1.07 -3.48 115.31 114.74 3dhr h LEU 91 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 3dhr h LEU 91 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dhr h LEU 91 CO 0.00 0.26 -0.79 0.54 0.09 0.00 0.00 178.44 178.54 3dhr n ARG 92 N -3.14 -5.23 -1.93 1.13 1.74 -0.69 -4.90 116.66 103.64 3dhr n ARG 92 Ca 0.02 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 3dhr n ARG 92 Cb 0.64 -5.33 -0.03 0.00 -1.02 0.00 0.00 32.46 26.72 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 -3.49 3.02 0.07 1.55 1.01 -0.88 -4.94 120.40 116.74 3dhr s VAL 93 Ca 0.35 0.49 -0.34 0.00 0.00 0.00 0.00 61.98 62.48 3dhr s VAL 93 Cb -0.17 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.76 3dhr s VAL 93 CO 0.82 0.00 1.69 -0.67 0.00 0.00 0.00 175.10 176.95 3dhr n ASP 94 N 5.50 3.22 -0.28 3.32 -0.08 -1.26 -4.87 116.55 122.10 3dhr n ASP 94 Ca 0.16 1.04 0.27 0.00 -1.51 0.00 0.00 54.79 54.75 3dhr n ASP 94 Cb 0.40 -1.40 0.63 0.00 2.34 0.00 0.00 41.12 43.09 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 7.18 0.19 0.00 -0.67 0.11 -2.00 -1.81 132.00 135.00 3dhr h PRO 95 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3dhr h PRO 95 Cb 1.26 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dhr h PRO 95 CO 0.91 0.12 -0.07 -0.39 -0.21 0.00 0.00 178.00 178.36 3dhr h VAL 96 N 0.19 0.58 -0.01 3.15 -1.51 -2.02 -2.82 116.25 113.80 3dhr h VAL 96 Ca 0.53 -0.31 -0.09 0.00 -1.23 0.00 0.00 66.70 65.60 3dhr h VAL 96 Cb 1.71 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 3dhr h VAL 96 CO -0.13 0.07 -0.41 0.78 -1.23 0.00 0.00 177.57 176.65 3dhr h ASN 97 N 0.00 0.03 -0.28 4.19 -0.26 -1.70 -2.94 115.58 114.62 3dhr h ASN 97 Ca -0.00 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.64 3dhr h ASN 97 Cb 0.19 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 3dhr h ASN 97 CO 0.01 0.43 -0.13 -0.26 -1.06 0.00 0.00 177.43 176.42 3dhr h PHE 98 N 0.03 0.78 -0.85 1.19 0.04 -1.67 -1.61 116.94 114.84 3dhr h PHE 98 Ca -0.00 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 3dhr h PHE 98 Cb 0.73 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 3dhr h PHE 98 CO 0.00 0.81 0.51 0.87 -0.60 0.00 0.00 178.31 179.89 3dhr h LYS 99 N 0.64 1.15 -0.35 1.51 1.57 -1.64 -1.47 116.57 117.98 3dhr h LYS 99 Ca 0.11 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3dhr h LYS 99 Cb 0.60 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3dhr h LYS 99 CO 0.04 0.81 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.47 3dhr h LEU 100 N 1.17 0.77 -0.38 2.94 3.38 -1.31 -1.52 115.31 120.37 3dhr h LEU 100 Ca 0.30 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3dhr h LEU 100 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3dhr h LEU 100 CO -0.06 1.02 -0.15 0.25 0.09 0.00 0.00 178.44 179.59 3dhr h LEU 101 N 0.52 0.79 -0.33 1.67 5.85 -1.23 -2.00 115.31 120.59 3dhr h LEU 101 Ca 0.07 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3dhr h LEU 101 Cb 0.74 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3dhr h LEU 101 CO 0.06 1.01 0.09 1.23 -0.34 0.00 0.00 178.44 180.48 3dhr h GLY 102 N 0.57 0.40 0.64 3.75 0.00 -1.26 -0.84 103.07 106.32 3dhr h GLY 102 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.42 3dhr h GLY 102 CO 0.05 0.01 0.17 0.84 0.00 0.00 0.00 176.54 177.61 3dhr h HIS 103 N 0.22 0.31 -0.54 5.60 -0.00 -1.20 -1.85 115.15 117.70 3dhr h HIS 103 Ca 0.15 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 3dhr h HIS 103 Cb 0.14 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3dhr h HIS 103 CO -0.16 0.13 0.24 0.00 -0.00 0.00 0.00 177.93 178.14 3dhr h PHE 105 N 0.76 1.15 -0.65 0.00 3.57 -0.77 -1.41 116.94 119.59 3dhr h PHE 105 Ca 0.19 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3dhr h PHE 105 Cb 0.11 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3dhr h PHE 105 CO 0.01 1.02 0.12 -0.07 -2.23 0.00 0.00 178.31 177.16 3dhr h LEU 106 N 0.96 1.01 -0.51 0.59 3.38 -0.77 -1.86 115.31 118.11 3dhr h LEU 106 Ca 0.17 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dhr h LEU 106 Cb 0.58 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3dhr h LEU 106 CO 0.03 1.00 0.27 0.58 0.09 0.00 0.00 178.44 180.41 3dhr h VAL 107 N 1.00 0.97 -0.59 1.22 2.07 -0.93 -1.11 116.25 118.89 3dhr h VAL 107 Ca 0.20 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3dhr h VAL 107 Cb 0.41 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3dhr h VAL 107 CO 0.01 0.10 0.27 0.58 0.02 0.00 0.00 177.57 178.55 3dhr h VAL 108 N 0.52 1.21 -0.45 2.57 2.07 -0.93 -0.80 116.25 120.44 3dhr h VAL 108 Ca 0.22 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3dhr h VAL 108 Cb 0.12 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3dhr h VAL 108 CO -0.15 0.25 0.28 0.58 0.02 0.00 0.00 177.57 178.55 3dhr h VAL 109 N 0.80 1.14 -0.76 2.57 2.07 -1.14 -2.31 116.25 118.62 3dhr h VAL 109 Ca 0.20 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3dhr h VAL 109 Cb 0.14 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3dhr h VAL 109 CO -0.02 0.14 0.50 0.00 0.02 0.00 0.00 177.57 178.20 3dhr h ALA 110 N 1.13 0.97 -0.32 1.67 0.00 -0.87 0.37 119.26 122.20 3dhr h ALA 110 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dhr h ALA 110 Cb -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3dhr h ALA 110 CO -0.03 0.39 0.18 0.28 0.00 0.00 0.00 179.25 180.07 3dhr h VAL 111 N 1.03 1.14 0.13 0.00 2.07 -0.97 -3.09 116.25 116.57 3dhr h VAL 111 Ca 0.28 -0.36 -0.34 0.00 0.82 0.00 0.00 66.70 67.10 3dhr h VAL 111 Cb -0.10 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3dhr h VAL 111 CO -0.06 0.14 -1.74 0.45 0.02 0.00 0.00 177.57 176.38 3dhr h HIS 112 N 0.40 0.50 -2.10 1.57 3.86 -1.28 -3.42 115.15 114.69 3dhr h HIS 112 Ca 0.11 -0.37 -0.58 0.00 -1.16 0.00 0.00 60.37 58.38 3dhr h HIS 112 Cb 0.07 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 28.11 3dhr h HIS 112 CO -0.03 1.55 -0.88 1.19 0.86 0.00 0.00 177.93 180.62 3dhr n PHE 113 N -3.47 1.42 0.12 2.45 3.72 0.13 -4.95 117.46 116.87 3dhr n PHE 113 Ca -0.23 -3.83 0.04 0.00 -0.05 0.00 0.00 57.45 53.39 3dhr n PHE 113 Cb 1.06 -0.44 0.46 0.00 -0.94 0.00 0.00 39.48 39.62 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 4.11 0.28 0.00 -1.08 0.13 -1.70 -2.71 132.00 131.02 3dhr h PRO 114 Ca 0.13 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 3dhr h PRO 114 Cb 0.78 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3dhr h PRO 114 CO 0.63 0.28 -0.44 0.77 -0.23 0.00 0.00 178.00 179.01 3dhr h SER 115 N 0.27 0.00 0.15 1.44 0.02 -1.92 -3.16 113.55 110.35 3dhr h SER 115 Ca 0.07 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.75 3dhr h SER 115 Cb 0.14 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.70 3dhr h SER 115 CO -0.00 0.44 -1.11 0.25 -1.14 0.00 0.00 176.83 175.26 3dhr h LEU 116 N 0.00 0.80 -5.88 5.07 5.85 -1.87 -3.38 115.31 115.89 3dhr h LEU 116 Ca -0.00 -0.69 -0.72 0.00 0.84 0.00 0.00 57.88 57.31 3dhr h LEU 116 Cb 1.06 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3dhr h LEU 116 CO 0.06 1.49 2.90 -0.11 -0.34 0.00 0.00 178.44 182.44 3dhr n LEU 117 N -3.79 7.32 -4.77 2.25 7.94 -1.14 -4.75 117.00 120.06 3dhr n LEU 117 Ca -0.11 -4.41 -0.32 0.00 -1.11 0.00 0.00 56.01 50.07 3dhr n LEU 117 Cb 0.92 -1.56 0.08 0.00 0.53 0.00 0.00 43.42 43.39 3dhr n LEU 117 CO 0.56 1.48 0.71 0.42 -1.11 0.00 0.00 177.39 179.45 3dhr s THR 118 N 1.75 3.26 0.40 1.96 -4.23 -1.26 -4.71 115.64 112.81 3dhr s THR 118 Ca 0.50 0.45 0.18 0.00 -1.18 0.00 0.00 61.69 61.64 3dhr s THR 118 Cb 0.14 -2.94 0.39 0.00 1.34 0.00 0.00 72.50 71.43 3dhr s THR 118 CO -0.06 -0.49 1.78 -0.65 -0.54 0.00 0.00 174.62 174.66 3dhr h PRO 119 N -0.84 0.40 -0.21 3.99 0.11 -1.98 0.28 132.00 133.75 3dhr h PRO 119 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3dhr h PRO 119 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dhr h PRO 119 CO 0.52 0.27 -0.10 1.49 -0.21 0.00 0.00 178.00 179.96 3dhr h GLU 120 N 0.41 0.44 -0.40 1.05 4.81 -1.96 -2.35 114.58 116.58 3dhr h GLU 120 Ca 0.58 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 3dhr h GLU 120 Cb 1.44 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 3dhr h GLU 120 CO -0.28 0.73 -0.24 0.28 -0.73 0.00 0.00 179.01 178.76 3dhr h VAL 121 N 0.14 1.27 -0.39 0.32 2.07 -1.55 -2.77 116.25 115.34 3dhr h VAL 121 Ca 0.05 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.27 3dhr h VAL 121 Cb 0.60 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3dhr h VAL 121 CO 0.03 0.46 -0.11 -0.74 0.02 0.00 0.00 177.57 177.23 3dhr h HIS 122 N 0.71 -0.25 -0.67 1.57 -0.00 -0.48 -1.08 115.15 114.95 3dhr h HIS 122 Ca 0.09 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3dhr h HIS 122 Cb 0.78 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.32 3dhr h HIS 122 CO 0.04 -0.19 0.43 0.00 -0.00 0.00 0.00 177.93 178.22 3dhr h ALA 123 N 1.35 0.85 -0.41 5.26 0.00 -1.22 -0.85 119.26 124.24 3dhr h ALA 123 Ca 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3dhr h ALA 123 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dhr h ALA 123 CO -0.41 0.24 -0.02 0.77 0.00 0.00 0.00 179.25 179.82 3dhr h SER 124 N 0.87 0.74 -0.48 0.00 0.02 -1.21 -2.29 113.55 111.21 3dhr h SER 124 Ca 0.25 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 3dhr h SER 124 Cb -0.06 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3dhr h SER 124 CO -0.07 0.88 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.36 3dhr h LEU 125 N 0.58 0.93 -0.17 5.07 3.38 -1.04 -1.41 115.31 122.64 3dhr h LEU 125 Ca 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3dhr h LEU 125 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dhr h LEU 125 CO 0.03 1.03 0.10 -0.78 0.09 0.00 0.00 178.44 178.91 3dhr h ASP 126 N 0.85 0.17 -0.18 -0.43 3.58 -1.09 0.58 116.42 119.90 3dhr h ASP 126 Ca 0.14 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 3dhr h ASP 126 Cb 0.60 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 3dhr h ASP 126 CO 0.04 0.13 -0.01 0.11 -2.88 0.00 0.00 179.24 176.62 3dhr h LYS 127 N 0.21 0.45 -0.15 0.28 1.57 -1.29 -0.73 116.57 116.90 3dhr h LYS 127 Ca 0.06 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3dhr h LYS 127 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3dhr h LYS 127 CO -0.02 0.49 -0.17 0.35 -0.57 0.00 0.00 179.45 179.52 3dhr h PHE 128 N 0.43 0.47 -0.41 -1.35 3.57 -0.93 -1.20 116.94 117.53 3dhr h PHE 128 Ca 0.10 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 3dhr h PHE 128 Cb 0.31 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3dhr h PHE 128 CO 0.01 0.79 0.05 0.28 -2.23 0.00 0.00 178.31 177.21 3dhr h VAL 129 N 0.02 1.20 -0.02 1.41 2.07 -0.71 -1.61 116.25 118.61 3dhr h VAL 129 Ca 0.02 -0.78 -0.17 0.00 0.82 0.00 0.00 66.70 66.59 3dhr h VAL 129 Cb 0.72 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3dhr h VAL 129 CO 0.04 0.28 -0.77 -0.07 0.02 0.00 0.00 177.57 177.07 3dhr h LEU 130 N 0.60 0.20 -0.79 2.57 3.38 -1.13 -2.49 115.31 117.66 3dhr h LEU 130 Ca 0.13 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3dhr h LEU 130 Cb 0.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3dhr h LEU 130 CO 0.01 0.89 -0.17 0.00 0.09 0.00 0.00 178.44 179.25 3dhr h ALA 131 N 1.10 0.97 -0.29 1.53 0.00 -0.84 -1.83 119.26 119.89 3dhr h ALA 131 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3dhr h ALA 131 Cb 1.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3dhr h ALA 131 CO 0.11 0.60 0.03 0.28 0.00 0.00 0.00 179.25 180.28 3dhr h VAL 132 N 0.65 1.24 -0.90 0.00 2.07 -1.25 -2.32 116.25 115.75 3dhr h VAL 132 Ca 0.10 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3dhr h VAL 132 Cb 0.65 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3dhr h VAL 132 CO 0.05 0.27 0.60 1.23 0.02 0.00 0.00 177.57 179.73 3dhr h GLY 133 N 0.31 1.27 1.00 2.17 0.00 -1.35 -2.09 103.07 104.37 3dhr h GLY 133 Ca 0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3dhr h GLY 133 CO 0.01 0.45 0.35 -0.84 0.00 0.00 0.00 176.54 176.51 3dhr h THR 134 N 1.21 1.21 -0.43 4.70 2.02 -1.24 -2.24 112.91 118.14 3dhr h THR 134 Ca 0.33 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3dhr h THR 134 Cb -0.13 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 3dhr h THR 134 CO -0.08 0.23 0.21 0.58 0.37 0.00 0.00 175.52 176.84 3dhr h VAL 135 N 0.90 1.18 0.00 3.16 2.07 -1.12 -2.26 116.25 120.18 3dhr h VAL 135 Ca 0.23 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3dhr h VAL 135 Cb 0.06 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3dhr h VAL 135 CO -0.04 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.93 3dhr n LEU 136 N -4.67 0.15 -0.61 2.57 4.77 -0.81 -2.20 117.00 116.19 3dhr n LEU 136 Ca 0.01 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 3dhr n LEU 136 Cb 0.11 -0.49 0.16 0.00 -2.33 0.00 0.00 43.42 40.87 3dhr n LEU 136 CO 0.36 -0.19 0.63 0.35 -1.33 0.00 0.00 177.39 177.21 3dhr n THR 137 N -1.65 1.34 -0.11 -5.08 -2.24 -0.86 -3.66 114.28 102.02 3dhr n THR 137 Ca 0.05 -1.26 -0.07 0.00 -2.27 0.00 0.00 64.05 60.50 3dhr n THR 137 Cb 0.26 0.29 0.10 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.68 0.94 -3.08 6.98 0.00 -0.92 -3.39 119.26 121.47 3dhr h ALA 138 Ca 0.00 -0.33 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 3dhr h ALA 138 Cb 0.89 -0.17 -0.39 0.00 0.00 0.00 0.00 17.79 18.11 3dhr h ALA 138 CO 0.05 0.62 -0.43 0.15 0.00 0.00 0.00 179.25 179.65 3dhr s LYS 139 N -4.77 2.62 -1.11 0.00 1.02 -1.26 -4.95 119.74 111.28 3dhr s LYS 139 Ca -0.10 -3.11 -0.05 0.00 0.02 0.00 0.00 55.97 52.73 3dhr s LYS 139 Cb 0.14 -3.59 0.28 0.00 -0.52 0.00 0.00 37.83 34.14 3dhr s LYS 139 CO 0.83 -1.24 1.61 0.66 -0.92 0.00 0.00 175.35 176.29 3dhr n TYR 140 N 2.44 2.39 1.43 3.18 4.01 -1.26 -4.05 117.16 125.29 3dhr n TYR 140 Ca 0.16 -2.60 0.14 0.00 -0.16 0.00 0.00 57.90 55.44 3dhr n TYR 140 Cb 0.35 -1.37 0.47 0.00 -0.31 0.00 0.00 39.34 38.49 3dhr n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94