#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyu s HIS 2 N 0.00 3.34 -0.06 1.45 2.46 -1.26 -4.98 115.29 116.24 3hyu s HIS 2 Ca 0.00 0.21 0.03 0.00 0.47 0.00 0.00 55.06 55.77 3hyu s HIS 2 Cb 0.00 -2.10 -0.02 0.00 -0.13 0.00 0.00 32.58 30.32 3hyu s HIS 2 CO 0.00 0.25 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.87 3hyu s LEU 3 N 0.27 2.73 0.68 8.88 1.43 -1.26 -5.10 118.68 126.30 3hyu s LEU 3 Ca 0.06 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3hyu s LEU 3 Cb -0.12 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3hyu s LEU 3 CO -0.01 0.32 1.06 0.42 0.23 0.00 0.00 176.35 178.37 3hyu s THR 4 N -0.57 4.07 0.30 5.49 -4.23 -1.26 -4.85 115.64 114.59 3hyu s THR 4 Ca 0.08 0.71 0.04 0.00 -1.18 0.00 0.00 61.69 61.33 3hyu s THR 4 Cb -0.11 -3.44 0.30 0.00 1.34 0.00 0.00 72.50 70.58 3hyu s THR 4 CO 0.01 -0.84 1.84 0.00 -0.54 0.00 0.00 174.62 175.09 3hyu h ALA 5 N -0.55 1.62 -0.18 3.99 0.00 -2.00 -0.75 119.26 121.39 3hyu h ALA 5 Ca -0.44 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3hyu h ALA 5 Cb 1.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3hyu h ALA 5 CO 0.57 0.12 0.03 0.00 0.00 0.00 0.00 179.25 179.97 3hyu h ALA 6 N 1.57 0.17 -0.41 0.00 0.00 -1.99 -0.82 119.26 117.78 3hyu h ALA 6 Ca 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 3hyu h ALA 6 Cb 0.60 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3hyu h ALA 6 CO -0.26 -0.41 0.21 0.93 0.00 0.00 0.00 179.25 179.71 3hyu h GLU 7 N 0.09 0.59 -0.94 0.00 5.08 -1.76 -1.25 114.58 116.40 3hyu h GLU 7 Ca 0.08 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hyu h GLU 7 Cb 0.08 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3hyu h GLU 7 CO -0.12 0.50 0.62 0.87 -1.00 0.00 0.00 179.01 179.88 3hyu h LYS 8 N 0.53 1.19 -0.45 2.33 1.57 -1.00 -1.56 116.57 119.18 3hyu h LYS 8 Ca 0.14 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 3hyu h LYS 8 Cb 0.10 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3hyu h LYS 8 CO -0.02 0.79 -0.23 0.77 -0.57 0.00 0.00 179.45 180.18 3hyu h SER 9 N 1.23 0.96 -0.75 0.86 0.02 -0.81 -0.39 113.55 114.66 3hyu h SER 9 Ca 0.36 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3hyu h SER 9 Cb -0.07 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.17 3hyu h SER 9 CO -0.09 1.14 0.41 0.00 -1.14 0.00 0.00 176.83 177.15 3hyu h ALA 10 N 0.92 0.96 0.44 3.77 0.00 -0.74 -0.37 119.26 124.23 3hyu h ALA 10 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hyu h ALA 10 Cb 0.80 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hyu h ALA 10 CO 0.07 0.47 -0.21 0.82 0.00 0.00 0.00 179.25 180.40 3hyu h ILE 11 N 1.03 0.55 -0.02 0.00 2.04 -1.11 -3.03 117.51 116.98 3hyu h ILE 11 Ca 0.26 -0.27 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 3hyu h ILE 11 Cb 0.03 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3hyu h ILE 11 CO -0.04 0.05 -0.67 -0.07 0.00 0.00 0.00 178.15 177.42 3hyu h LEU 12 N -0.75 0.11 -0.11 1.44 3.38 -1.01 -0.63 115.31 117.73 3hyu h LEU 12 Ca -0.06 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hyu h LEU 12 Cb 0.53 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3hyu h LEU 12 CO 0.10 0.74 0.04 0.44 0.09 0.00 0.00 178.44 179.85 3hyu h ASP 13 N 0.07 0.05 -0.55 -0.43 3.32 -1.15 -2.28 116.42 115.45 3hyu h ASP 13 Ca -0.01 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3hyu h ASP 13 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 3hyu h ASP 13 CO 0.09 0.05 -0.09 0.25 -1.72 0.00 0.00 179.24 177.82 3hyu h LEU 14 N 0.10 1.03 -1.86 1.55 5.85 -1.38 -3.12 115.31 117.48 3hyu h LEU 14 Ca 0.05 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3hyu h LEU 14 Cb 0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3hyu h LEU 14 CO -0.05 1.13 0.17 -0.25 -0.34 0.00 0.00 178.44 179.10 3hyu h TRP 15 N 0.91 0.18 0.00 1.25 2.91 -0.85 0.11 115.95 120.45 3hyu h TRP 15 Ca 0.14 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3hyu h TRP 15 Cb 0.65 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.24 3hyu h TRP 15 CO 0.05 0.10 0.00 0.41 -1.03 0.00 0.00 178.44 177.97 3hyu n GLY 16 N -1.54 -0.93 0.34 2.65 0.00 -0.88 -2.12 105.19 102.71 3hyu n GLY 16 Ca 0.02 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3hyu n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hyu n LYS 17 N -1.87 1.73 -3.32 1.61 5.02 0.39 -5.02 118.16 116.70 3hyu n LYS 17 Ca 0.01 -0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 55.14 3hyu n LYS 17 Cb 0.12 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3hyu n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hyu s VAL 18 N -1.82 4.80 -0.64 -0.18 1.01 -0.90 -5.03 120.40 117.64 3hyu s VAL 18 Ca 0.13 1.13 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 3hyu s VAL 18 Cb 0.12 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.72 3hyu s VAL 18 CO 0.38 0.55 0.92 0.21 0.00 0.00 0.00 175.10 177.16 3hyu s ASN 19 N -1.13 6.19 0.17 3.32 3.84 -1.26 -4.94 114.94 121.13 3hyu s ASN 19 Ca 0.28 -0.98 -0.13 0.00 0.21 0.00 0.00 52.86 52.24 3hyu s ASN 19 Cb -0.19 -2.40 0.07 0.00 -0.55 0.00 0.00 41.25 38.18 3hyu s ASN 19 CO 0.18 -1.37 1.78 0.58 -2.79 0.00 0.00 177.10 175.48 3hyu h VAL 20 N 5.97 1.18 -0.52 -5.21 2.07 -1.95 -1.27 116.25 116.52 3hyu h VAL 20 Ca -0.29 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3hyu h VAL 20 Cb 1.07 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3hyu h VAL 20 CO 1.16 0.20 0.08 1.23 0.02 0.00 0.00 177.57 180.25 3hyu h GLY 21 N 0.75 0.89 0.86 2.17 0.00 -1.92 -0.72 103.07 105.10 3hyu h GLY 21 Ca 0.20 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3hyu h GLY 21 CO -0.03 0.51 -0.30 -2.09 0.00 0.00 0.00 176.54 174.63 3hyu h GLU 22 N 0.79 0.53 -0.63 4.80 4.81 -1.86 -0.09 114.58 122.92 3hyu h GLU 22 Ca 0.16 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3hyu h GLU 22 Cb 0.37 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3hyu h GLU 22 CO 0.01 0.93 0.39 0.82 -0.73 0.00 0.00 179.01 180.43 3hyu h ILE 23 N 0.19 1.08 -0.34 2.32 1.08 -1.17 -1.82 117.51 118.85 3hyu h ILE 23 Ca 0.01 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 3hyu h ILE 23 Cb 0.89 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3hyu h ILE 23 CO 0.07 0.14 0.14 1.23 -0.69 0.00 0.00 178.15 179.04 3hyu h GLY 24 N 0.77 0.55 1.01 5.37 0.00 -0.99 0.15 103.07 109.92 3hyu h GLY 24 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3hyu h GLY 24 CO -0.10 0.28 0.36 0.00 0.00 0.00 0.00 176.54 177.07 3hyu h ALA 25 N 0.99 0.90 -0.38 3.60 0.00 -0.87 -1.42 119.26 122.08 3hyu h ALA 25 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3hyu h ALA 25 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hyu h ALA 25 CO -0.01 0.44 -0.22 1.49 0.00 0.00 0.00 179.25 180.95 3hyu h GLU 26 N 0.96 0.81 -0.15 0.00 4.81 -1.12 -1.59 114.58 118.31 3hyu h GLU 26 Ca 0.24 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3hyu h GLU 26 Cb 0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hyu h GLU 26 CO -0.03 1.00 0.01 0.00 -0.73 0.00 0.00 179.01 179.26 3hyu h ALA 27 N 0.79 0.19 -0.65 2.92 0.00 -0.50 0.46 119.26 122.47 3hyu h ALA 27 Ca 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hyu h ALA 27 Cb 0.78 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3hyu h ALA 27 CO 0.06 -0.13 0.10 1.25 0.00 0.00 0.00 179.25 180.53 3hyu h LEU 28 N 0.01 1.04 -0.20 0.00 5.85 -1.32 -0.71 115.31 119.97 3hyu h LEU 28 Ca 0.04 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3hyu h LEU 28 Cb 0.33 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3hyu h LEU 28 CO 0.00 1.03 0.08 1.23 -0.34 0.00 0.00 178.44 180.45 3hyu h GLY 29 N 1.04 0.26 1.21 3.75 0.00 -1.13 -2.07 103.07 106.14 3hyu h GLY 29 Ca 0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3hyu h GLY 29 CO 0.01 0.04 0.23 3.21 0.00 0.00 0.00 176.54 180.04 3hyu h ARG 30 N 0.19 1.00 -0.42 4.80 3.08 -0.73 -1.60 114.38 120.70 3hyu h ARG 30 Ca 0.09 -0.19 0.07 0.00 0.07 0.00 0.00 59.98 60.02 3hyu h ARG 30 Cb 0.04 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 3hyu h ARG 30 CO -0.08 0.84 0.04 1.25 -1.07 0.00 0.00 179.97 180.96 3hyu h LEU 31 N 0.97 -0.08 -0.89 3.04 5.85 -0.73 0.10 115.31 123.57 3hyu h LEU 31 Ca 0.22 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.91 3hyu h LEU 31 Cb 0.24 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3hyu h LEU 31 CO -0.01 -0.01 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.53 3hyu h LEU 32 N 0.16 0.18 0.11 2.25 3.38 -0.93 -1.22 115.31 119.24 3hyu h LEU 32 Ca 0.21 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 3hyu h LEU 32 Cb 0.28 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hyu h LEU 32 CO -0.31 0.64 -0.76 0.58 0.09 0.00 0.00 178.44 178.68 3hyu h VAL 33 N 0.14 1.50 0.04 1.22 2.07 -1.00 -3.33 116.25 116.89 3hyu h VAL 33 Ca 0.01 -2.43 -0.22 0.00 0.82 0.00 0.00 66.70 64.87 3hyu h VAL 33 Cb 0.91 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 3hyu h VAL 33 CO 0.07 0.69 -1.00 0.58 0.02 0.00 0.00 177.57 177.93 3hyu h VAL 34 N -0.32 1.56 -2.43 2.57 2.07 -0.80 -3.39 116.25 115.52 3hyu h VAL 34 Ca -0.13 -2.97 -0.59 0.00 0.82 0.00 0.00 66.70 63.84 3hyu h VAL 34 Cb 1.56 2.70 -0.40 0.00 -1.52 0.00 0.00 31.29 33.63 3hyu h VAL 34 CO 0.14 0.86 -0.81 -1.22 0.02 0.00 0.00 177.57 176.57 3hyu n TYR 35 N -3.54 1.43 0.29 1.57 4.01 -0.46 -5.00 117.16 115.46 3hyu n TYR 35 Ca -0.04 -3.84 0.17 0.00 -0.16 0.00 0.00 57.90 54.03 3hyu n TYR 35 Cb 0.90 -0.31 0.90 0.00 -0.31 0.00 0.00 39.34 40.52 3hyu n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hyu h PRO 36 N 4.84 0.00 0.00 -0.72 0.11 -1.76 -0.98 132.00 133.49 3hyu h PRO 36 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3hyu h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3hyu h PRO 36 CO 0.60 0.05 -0.02 0.11 -0.21 0.00 0.00 178.00 178.53 3hyu h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.59 115.95 113.18 3hyu h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3hyu h TRP 37 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.45 3hyu h TRP 37 CO 0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.44 180.34 3hyu h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.49 -2.27 112.91 110.61 3hyu h THR 38 Ca -0.00 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 3hyu h THR 38 Cb 0.13 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3hyu h THR 38 CO 0.00 0.00 -0.04 1.56 -0.25 0.00 0.00 175.52 176.80 3hyu h GLN 39 N 0.00 0.00 -0.43 4.72 4.20 -1.49 -2.67 115.11 119.44 3hyu h GLN 39 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 3hyu h GLN 39 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3hyu h GLN 39 CO 0.00 0.04 0.30 -0.09 -0.67 0.00 0.00 178.83 178.41 3hyu h ARG 40 N 0.00 0.10 0.00 1.46 2.43 -1.61 -0.72 114.38 116.04 3hyu h ARG 40 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hyu h ARG 40 Cb 0.09 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3hyu h ARG 40 CO 0.00 0.07 0.00 0.74 -1.51 0.00 0.00 179.97 179.27 3hyu h PHE 41 N 0.10 0.00 0.00 2.20 0.04 -1.70 -3.34 116.94 114.24 3hyu h PHE 41 Ca 0.20 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 3hyu h PHE 41 Cb 0.67 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.74 3hyu h PHE 41 CO -0.00 0.00 -0.57 1.19 -0.60 0.00 0.00 178.31 178.33 3hyu n PHE 42 N -2.32 0.00 -0.33 -0.55 3.72 -0.29 -4.83 117.46 112.87 3hyu n PHE 42 Ca 0.05 -1.19 0.14 0.00 -0.05 0.00 0.00 57.45 56.40 3hyu n PHE 42 Cb 0.39 -0.21 0.36 0.00 -0.94 0.00 0.00 39.48 39.08 3hyu n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hyu h GLU 43 N 0.87 0.68 0.00 -1.08 5.08 -1.66 -1.45 114.58 117.02 3hyu h GLU 43 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hyu h GLU 43 Cb 1.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3hyu h GLU 43 CO 0.02 0.45 0.00 1.57 -1.00 0.00 0.00 179.01 180.05 3hyu h LYS 44 N 0.70 0.00 0.00 2.33 2.10 -1.92 -2.79 116.57 117.00 3hyu h LYS 44 Ca 0.55 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.16 3hyu h LYS 44 Cb 0.93 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 3hyu h LYS 44 CO -0.32 0.00 -0.18 0.74 -2.00 0.00 0.00 179.45 177.68 3hyu h PHE 45 N 0.00 0.00 0.00 0.07 -1.00 -1.66 -3.49 116.94 110.85 3hyu h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hyu h PHE 45 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 3hyu h PHE 45 CO 0.00 0.18 0.00 0.41 -1.61 0.00 0.00 178.31 177.29 3hyu n GLY 46 N -0.07 0.52 3.64 -1.45 0.00 -1.05 -4.79 105.19 101.99 3hyu n GLY 46 Ca -0.00 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 3hyu n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hyu s ASP 47 N -4.00 6.45 -0.18 1.61 2.15 -1.26 -4.87 116.67 116.57 3hyu s ASP 47 Ca 0.00 1.98 0.14 0.00 0.43 0.00 0.00 52.55 55.11 3hyu s ASP 47 Cb 0.00 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.46 3hyu s ASP 47 CO 0.00 -1.14 1.20 0.18 -0.17 0.00 0.00 175.17 175.24 3hyu n LEU 48 N 8.02 2.61 -0.39 -1.34 4.77 -1.26 -4.32 117.00 125.08 3hyu n LEU 48 Ca 0.19 -3.55 0.13 0.00 -0.03 0.00 0.00 56.01 52.75 3hyu n LEU 48 Cb 0.44 -0.49 0.55 0.00 -2.33 0.00 0.00 43.42 41.58 3hyu n LEU 48 CO 0.64 1.10 0.88 -1.54 -1.33 0.00 0.00 177.39 177.13 3hyu n SER 49 N -1.25 1.21 -3.87 -1.43 3.41 -1.26 -4.76 113.62 105.67 3hyu n SER 49 Ca 0.18 -1.48 -0.09 0.00 -0.26 0.00 0.00 58.87 57.22 3hyu n SER 49 Cb 0.68 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.52 3hyu n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hyu s SER 50 N -1.84 0.12 0.23 4.04 1.04 -1.26 -5.03 113.70 111.00 3hyu s SER 50 Ca 0.37 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 56.17 3hyu s SER 50 Cb 0.19 0.30 0.29 0.00 0.10 0.00 0.00 66.02 66.91 3hyu s SER 50 CO 0.31 -0.64 1.85 0.00 0.98 0.00 0.00 173.24 175.74 3hyu h ALA 51 N 3.11 1.11 -0.42 5.32 0.00 -1.97 -1.18 119.26 125.23 3hyu h ALA 51 Ca -0.33 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.63 3hyu h ALA 51 Cb 1.19 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3hyu h ALA 51 CO 0.53 0.26 0.09 1.03 0.00 0.00 0.00 179.25 181.17 3hyu h SER 52 N 0.94 0.01 -0.26 0.00 0.87 -1.98 -1.10 113.55 112.03 3hyu h SER 52 Ca 0.35 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.95 3hyu h SER 52 Cb 0.13 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3hyu h SER 52 CO -0.16 0.04 0.04 0.00 -0.53 0.00 0.00 176.83 176.22 3hyu h ALA 53 N 1.32 0.35 -0.85 6.23 0.00 -1.75 -2.95 119.26 121.61 3hyu h ALA 53 Ca 0.21 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hyu h ALA 53 Cb 0.25 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3hyu h ALA 53 CO -0.27 0.04 0.55 0.82 0.00 0.00 0.00 179.25 180.40 3hyu h ILE 54 N 0.25 1.16 -0.00 0.00 2.04 -0.93 -2.36 117.51 117.66 3hyu h ILE 54 Ca 0.08 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3hyu h ILE 54 Cb 0.34 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3hyu h ILE 54 CO 0.01 0.20 -0.08 0.23 0.00 0.00 0.00 178.15 178.51 3hyu n MET 55 N -4.54 0.43 0.00 2.37 2.81 -0.44 -3.02 117.12 114.73 3hyu n MET 55 Ca 0.10 -0.09 0.06 0.00 -1.81 0.00 0.00 57.70 55.96 3hyu n MET 55 Cb 0.07 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.02 3hyu n MET 55 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hyu n SER 56 N -1.21 0.70 -4.69 7.83 3.41 -1.07 -5.01 113.62 113.59 3hyu n SER 56 Ca 0.13 -0.85 -0.42 0.00 -0.26 0.00 0.00 58.87 57.46 3hyu n SER 56 Cb 0.28 0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 65.13 3hyu n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hyu s ASN 57 N -2.09 6.76 0.36 4.04 3.84 -0.91 -4.91 114.94 122.03 3hyu s ASN 57 Ca 0.06 2.24 0.10 0.00 0.21 0.00 0.00 52.86 55.47 3hyu s ASN 57 Cb 0.09 -2.56 0.70 0.00 -0.55 0.00 0.00 41.25 38.93 3hyu s ASN 57 CO 0.48 -0.79 1.84 0.00 -2.79 0.00 0.00 177.10 175.84 3hyu h ALA 58 N 8.09 1.38 -0.09 1.71 0.00 -1.91 -2.60 119.26 125.84 3hyu h ALA 58 Ca -0.39 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 3hyu h ALA 58 Cb 1.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hyu h ALA 58 CO 0.92 0.44 -0.76 0.45 0.00 0.00 0.00 179.25 180.29 3hyu h HIS 59 N 0.11 0.69 -0.75 0.00 3.86 -1.91 -1.04 115.15 116.11 3hyu h HIS 59 Ca 0.02 -0.31 0.02 0.00 -1.16 0.00 0.00 60.37 58.94 3hyu h HIS 59 Cb 0.58 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 3hyu h HIS 59 CO 0.00 1.09 0.48 0.28 0.86 0.00 0.00 177.93 180.65 3hyu h VAL 60 N 0.34 1.14 -0.20 2.45 2.07 -1.84 0.15 116.25 120.35 3hyu h VAL 60 Ca -0.04 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3hyu h VAL 60 Cb 1.36 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3hyu h VAL 60 CO 0.14 0.17 0.04 0.11 0.02 0.00 0.00 177.57 178.05 3hyu h LYS 61 N 0.96 0.33 -0.36 1.57 1.57 -1.26 -0.50 116.57 118.88 3hyu h LYS 61 Ca 0.29 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 3hyu h LYS 61 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3hyu h LYS 61 CO -0.09 0.47 -0.41 0.66 -0.57 0.00 0.00 179.45 179.51 3hyu h SER 62 N 0.13 0.96 -0.45 0.86 4.64 -1.04 -2.20 113.55 116.45 3hyu h SER 62 Ca 0.06 -0.45 -0.13 0.00 -0.47 0.00 0.00 61.79 60.80 3hyu h SER 62 Cb 0.30 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3hyu h SER 62 CO 0.00 1.24 -0.23 -0.74 -0.87 0.00 0.00 176.83 176.23 3hyu h HIS 63 N 0.73 1.12 -0.74 4.77 -0.00 -0.71 -1.96 115.15 118.36 3hyu h HIS 63 Ca 0.05 -0.27 0.08 0.00 -0.00 0.00 0.00 60.37 60.23 3hyu h HIS 63 Cb 0.99 -0.26 -0.06 0.00 -0.00 0.00 0.00 27.41 28.08 3hyu h HIS 63 CO 0.06 1.09 0.41 0.78 -0.00 0.00 0.00 177.93 180.28 3hyu h GLY 64 N 0.88 1.11 1.06 5.26 0.00 -1.02 0.05 103.07 110.41 3hyu h GLY 64 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3hyu h GLY 64 CO 0.07 0.14 0.18 0.00 0.00 0.00 0.00 176.54 176.93 3hyu h ALA 65 N 1.40 0.93 -0.71 3.60 0.00 -1.13 -1.68 119.26 121.67 3hyu h ALA 65 Ca 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hyu h ALA 65 Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hyu h ALA 65 CO -0.22 0.65 0.36 -0.22 0.00 0.00 0.00 179.25 179.81 3hyu h LYS 66 N 1.06 1.02 -0.50 0.00 3.64 -0.69 -0.18 116.57 120.91 3hyu h LYS 66 Ca 0.22 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hyu h LYS 66 Cb 0.36 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3hyu h LYS 66 CO 0.00 0.79 0.23 0.28 -2.27 0.00 0.00 179.45 178.48 3hyu h VAL 67 N 0.99 1.20 0.00 2.00 2.07 -0.78 -2.00 116.25 119.73 3hyu h VAL 67 Ca 0.25 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 3hyu h VAL 67 Cb 0.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3hyu h VAL 67 CO -0.03 0.23 -0.59 -0.07 0.02 0.00 0.00 177.57 177.12 3hyu h LEU 68 N 0.67 0.00 -0.94 2.57 -0.00 -1.04 -1.00 115.31 115.57 3hyu h LEU 68 Ca 0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.97 3hyu h LEU 68 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 3hyu h LEU 68 CO -0.02 0.59 -0.11 0.00 -0.00 0.00 0.00 178.44 178.91 3hyu h ALA 69 N 1.41 1.12 -0.44 1.53 0.00 -0.85 -0.19 119.26 121.83 3hyu h ALA 69 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3hyu h ALA 69 Cb 1.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3hyu h ALA 69 CO 0.08 0.55 0.01 1.03 0.00 0.00 0.00 179.25 180.92 3hyu h SER 70 N 0.60 0.76 -0.62 0.00 0.87 -0.84 -1.39 113.55 112.92 3hyu h SER 70 Ca 0.11 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.40 3hyu h SER 70 Cb 0.53 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 3hyu h SER 70 CO 0.03 0.87 0.36 0.15 -0.53 0.00 0.00 176.83 177.72 3hyu h PHE 71 N 0.62 0.67 -0.70 2.24 3.57 -1.04 -1.70 116.94 120.60 3hyu h PHE 71 Ca 0.13 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.69 3hyu h PHE 71 Cb 0.48 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3hyu h PHE 71 CO 0.04 0.36 0.43 0.77 -2.23 0.00 0.00 178.31 177.67 3hyu h SER 72 N 0.70 0.69 -0.96 0.41 0.02 -0.72 -1.35 113.55 112.34 3hyu h SER 72 Ca 0.26 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3hyu h SER 72 Cb 0.08 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 3hyu h SER 72 CO -0.13 0.47 0.63 -0.33 -1.14 0.00 0.00 176.83 176.33 3hyu h GLU 73 N 0.82 1.25 -0.77 3.45 4.39 -0.90 -1.90 114.58 120.91 3hyu h GLU 73 Ca 0.29 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.99 3hyu h GLU 73 Cb 0.06 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 28.38 3hyu h GLU 73 CO -0.13 0.83 0.51 0.78 -1.16 0.00 0.00 179.01 179.84 3hyu h GLY 74 N 1.29 1.03 2.00 -3.84 0.00 -0.35 -0.93 103.07 102.27 3hyu h GLY 74 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3hyu h GLY 74 CO -0.08 0.20 0.00 1.04 0.00 0.00 0.00 176.54 177.70 3hyu n LEU 75 N -4.49 0.54 -0.28 3.11 4.77 -0.72 -0.85 117.00 119.07 3hyu n LEU 75 Ca 0.12 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.90 3hyu n LEU 75 Cb 0.28 -0.63 0.44 0.00 -2.33 0.00 0.00 43.42 41.17 3hyu n LEU 75 CO 0.33 -0.63 0.73 0.29 -1.33 0.00 0.00 177.39 176.77 3hyu n LYS 76 N -2.13 1.00 -2.68 3.23 5.02 -0.35 -4.35 118.16 117.89 3hyu n LYS 76 Ca 0.01 -0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 55.67 3hyu n LYS 76 Cb 0.16 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 3hyu n LYS 76 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hyu n HIS 77 N -0.51 1.43 0.31 2.13 8.25 -0.03 -4.92 115.22 121.88 3hyu n HIS 77 Ca 0.14 -2.54 0.14 0.00 -0.26 0.00 0.00 57.72 55.20 3hyu n HIS 77 Cb 0.34 -0.30 0.62 0.00 1.12 0.00 0.00 29.99 31.77 3hyu n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hyu h LEU 78 N 2.78 0.00 -1.86 2.41 3.38 -1.75 -0.61 115.31 119.66 3hyu h LEU 78 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hyu h LEU 78 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3hyu h LEU 78 CO 0.42 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3hyu n GLN 79 N -2.48 2.23 -2.81 1.13 1.13 -1.26 -4.44 117.38 110.88 3hyu n GLN 79 Ca 0.00 -1.84 -0.10 0.00 -1.94 0.00 0.00 57.00 53.12 3hyu n GLN 79 Cb 0.18 -1.47 0.06 0.00 0.11 0.00 0.00 30.24 29.12 3hyu n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hyu n ASP 80 N 1.11 -0.73 -0.20 1.08 2.03 -0.25 -4.97 116.55 114.61 3hyu n ASP 80 Ca 0.17 -2.99 -0.09 0.00 0.52 0.00 0.00 54.79 52.41 3hyu n ASP 80 Cb 0.53 0.60 0.02 0.00 -0.72 0.00 0.00 41.12 41.55 3hyu n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hyu h LEU 81 N 2.72 0.91 -0.52 -2.67 3.38 -1.74 -1.76 115.31 115.62 3hyu h LEU 81 Ca -0.11 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.67 3hyu h LEU 81 Cb 1.15 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3hyu h LEU 81 CO 0.23 0.94 0.20 0.11 0.09 0.00 0.00 178.44 180.01 3hyu h LYS 82 N 0.85 0.37 -0.29 1.13 1.57 -1.91 -0.60 116.57 117.70 3hyu h LYS 82 Ca 0.17 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3hyu h LYS 82 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3hyu h LYS 82 CO 0.01 0.25 -0.07 0.78 -0.57 0.00 0.00 179.45 179.85 3hyu h GLY 83 N 0.39 0.61 0.65 3.86 0.00 -1.93 -2.14 103.07 104.50 3hyu h GLY 83 Ca 0.25 -0.50 0.08 0.00 0.00 0.00 0.00 47.33 47.16 3hyu h GLY 83 CO -0.25 0.46 0.55 -0.84 0.00 0.00 0.00 176.54 176.46 3hyu h THR 84 N 0.32 1.00 -0.74 4.70 2.02 -1.03 -2.78 112.91 116.40 3hyu h THR 84 Ca 0.07 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3hyu h THR 84 Cb 0.55 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3hyu h THR 84 CO 0.03 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.59 3hyu n PHE 85 N -4.63 1.02 -0.20 3.16 3.72 -0.26 -4.62 117.46 115.66 3hyu n PHE 85 Ca 0.14 -0.50 -0.03 0.00 -0.05 0.00 0.00 57.45 57.01 3hyu n PHE 85 Cb 0.22 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 38.83 3hyu n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hyu h ALA 86 N 4.35 0.76 -0.36 4.37 0.00 -1.08 0.28 119.26 127.56 3hyu h ALA 86 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3hyu h ALA 86 Cb 1.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hyu h ALA 86 CO 0.01 -0.03 -0.43 -0.22 0.00 0.00 0.00 179.25 178.58 3hyu h LYS 87 N 0.58 0.93 -0.06 0.00 1.63 -1.82 -1.50 116.57 116.33 3hyu h LYS 87 Ca 0.26 -0.52 -0.10 0.00 -0.85 0.00 0.00 60.65 59.44 3hyu h LYS 87 Cb 0.16 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 3hyu h LYS 87 CO -0.17 1.17 -0.44 -0.07 -3.45 0.00 0.00 179.45 176.49 3hyu h LEU 88 N 0.75 0.15 -0.17 5.20 3.38 -1.80 -2.09 115.31 120.73 3hyu h LEU 88 Ca 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hyu h LEU 88 Cb 1.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3hyu h LEU 88 CO 0.10 0.58 0.06 -1.28 0.09 0.00 0.00 178.44 177.98 3hyu h SER 89 N 0.12 0.25 -0.71 -0.43 0.87 -0.16 0.17 113.55 113.65 3hyu h SER 89 Ca 0.01 -0.20 0.13 0.00 -1.23 0.00 0.00 61.79 60.50 3hyu h SER 89 Cb 0.83 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.64 3hyu h SER 89 CO 0.06 0.38 0.28 -0.33 -0.53 0.00 0.00 176.83 176.69 3hyu h GLU 90 N 0.10 0.42 0.31 2.24 5.08 -1.13 -0.14 114.58 121.47 3hyu h GLU 90 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3hyu h GLU 90 Cb 0.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hyu h GLU 90 CO -0.00 0.28 -0.15 1.25 -1.00 0.00 0.00 179.01 179.39 3hyu h LEU 91 N 0.44 -0.35 -0.73 1.33 5.85 -0.98 -0.99 115.31 119.87 3hyu h LEU 91 Ca 0.38 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 3hyu h LEU 91 Cb 0.54 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3hyu h LEU 91 CO -0.37 -0.11 -0.52 0.45 -0.34 0.00 0.00 178.44 177.54 3hyu h HIS 92 N -0.57 0.00 0.00 1.25 3.86 -0.74 -0.59 115.15 118.36 3hyu h HIS 92 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3hyu h HIS 92 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3hyu h HIS 92 CO -0.01 0.52 -0.59 0.00 0.86 0.00 0.00 177.93 178.70 3hyu h ASP 94 N -0.92 0.41 0.05 0.00 3.32 -1.33 -2.56 116.42 115.39 3hyu h ASP 94 Ca 0.00 -0.32 -0.34 0.00 0.02 0.00 0.00 57.03 56.39 3hyu h ASP 94 Cb 0.59 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3hyu h ASP 94 CO 0.00 1.11 -1.91 1.17 -1.72 0.00 0.00 179.24 177.89 3hyu n LYS 95 N -3.73 0.65 0.01 3.56 4.81 -0.94 -4.65 118.16 117.87 3hyu n LYS 95 Ca -0.05 0.35 0.11 0.00 -0.87 0.00 0.00 58.31 57.85 3hyu n LYS 95 Cb 0.80 -1.66 -0.14 0.00 0.02 0.00 0.00 35.03 34.05 3hyu n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3hyu n LEU 96 N -3.89 0.18 -3.77 3.14 4.77 -0.27 -5.00 117.00 112.16 3hyu n LEU 96 Ca -0.38 0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.37 3hyu n LEU 96 Cb 0.89 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.02 3hyu n LEU 96 CO 0.26 -0.02 0.13 1.41 -1.33 0.00 0.00 177.39 177.84 3hyu n HIS 97 N -2.28 -2.43 -2.40 -1.77 8.25 -0.49 -4.94 115.22 109.16 3hyu n HIS 97 Ca -0.03 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 57.94 3hyu n HIS 97 Cb 0.55 -4.41 -0.03 0.00 1.12 0.00 0.00 29.99 27.23 3hyu n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hyu s VAL 98 N -3.36 4.11 0.18 1.59 1.01 -0.30 -4.97 120.40 118.66 3hyu s VAL 98 Ca 0.53 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.65 3hyu s VAL 98 Cb -0.25 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3hyu s VAL 98 CO 0.79 0.00 1.46 -0.62 0.00 0.00 0.00 175.10 176.73 3hyu s ASP 99 N 1.57 6.70 0.59 3.32 -1.08 -1.26 -4.81 116.67 121.70 3hyu s ASP 99 Ca 0.58 2.54 0.29 0.00 -0.52 0.00 0.00 52.55 55.44 3hyu s ASP 99 Cb -0.27 -2.60 1.73 0.00 -1.46 0.00 0.00 42.92 40.32 3hyu s ASP 99 CO 0.23 -0.71 2.17 1.55 0.52 0.00 0.00 175.17 178.93 3hyu h PRO 100 N 6.07 0.00 -0.72 4.34 0.13 -1.97 -0.76 132.00 139.09 3hyu h PRO 100 Ca -0.44 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 3hyu h PRO 100 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 3hyu h PRO 100 CO 0.84 0.00 0.48 1.49 -0.23 0.00 0.00 178.00 180.58 3hyu h GLU 101 N 0.00 0.50 -0.09 0.86 4.57 -1.98 -1.20 114.58 117.24 3hyu h GLU 101 Ca 0.05 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3hyu h GLU 101 Cb 0.27 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3hyu h GLU 101 CO -0.00 0.33 -0.18 -0.91 -1.18 0.00 0.00 179.01 177.07 3hyu h ASN 102 N 0.52 0.13 -0.89 1.04 2.35 -1.50 -1.45 115.58 115.77 3hyu h ASN 102 Ca 0.34 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3hyu h ASN 102 Cb 0.62 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.91 3hyu h ASN 102 CO -0.11 0.33 0.58 -0.26 -1.65 0.00 0.00 177.43 176.31 3hyu h PHE 103 N 0.13 1.12 -0.42 1.19 0.04 -1.35 -1.78 116.94 115.87 3hyu h PHE 103 Ca 0.02 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.68 3hyu h PHE 103 Cb 0.40 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3hyu h PHE 103 CO 0.00 0.72 -0.28 0.00 -0.60 0.00 0.00 178.31 178.15 3hyu h ARG 104 N 1.21 0.92 -0.64 1.51 3.08 -1.28 -1.97 114.38 117.20 3hyu h ARG 104 Ca 0.32 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3hyu h ARG 104 Cb -0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3hyu h ARG 104 CO -0.07 1.08 0.39 -0.07 -1.07 0.00 0.00 179.97 180.23 3hyu h LEU 105 N 0.78 0.77 -0.80 3.04 3.38 -1.15 -0.65 115.31 120.67 3hyu h LEU 105 Ca 0.09 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hyu h LEU 105 Cb 0.85 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hyu h LEU 105 CO 0.08 0.59 0.03 0.25 0.09 0.00 0.00 178.44 179.48 3hyu h LEU 106 N 0.87 0.90 -0.70 1.67 5.85 -1.15 -0.67 115.31 122.08 3hyu h LEU 106 Ca 0.23 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3hyu h LEU 106 Cb -0.04 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3hyu h LEU 106 CO -0.04 0.94 0.40 1.23 -0.34 0.00 0.00 178.44 180.63 3hyu h GLY 107 N 1.00 1.03 2.00 3.75 0.00 -1.03 -1.23 103.07 108.59 3hyu h GLY 107 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 3hyu h GLY 107 CO 0.02 0.18 -0.27 3.43 0.00 0.00 0.00 176.54 179.90 3hyu h ASN 108 N 0.74 0.00 0.00 0.19 2.35 -0.35 -1.96 115.58 116.55 3hyu h ASN 108 Ca 0.31 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.92 3hyu h ASN 108 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3hyu h ASN 108 CO -0.17 0.27 -0.44 0.24 -1.65 0.00 0.00 177.43 175.68 3hyu h MET 109 N 0.00 0.53 -0.59 0.81 2.86 -0.16 -1.51 114.93 116.87 3hyu h MET 109 Ca -0.00 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 3hyu h MET 109 Cb 0.48 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 3hyu h MET 109 CO 0.04 0.87 0.35 0.82 1.06 0.00 0.00 176.91 180.04 3hyu h ILE 110 N 0.43 1.18 -0.31 -1.22 2.04 -0.88 -0.57 117.51 118.19 3hyu h ILE 110 Ca 0.03 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3hyu h ILE 110 Cb 0.94 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3hyu h ILE 110 CO 0.08 0.19 0.14 0.58 0.00 0.00 0.00 178.15 179.14 3hyu h VAL 111 N 0.80 0.97 -0.77 1.67 2.07 -1.18 -0.85 116.25 118.96 3hyu h VAL 111 Ca 0.21 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3hyu h VAL 111 Cb 0.00 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3hyu h VAL 111 CO -0.04 0.05 0.35 0.40 0.02 0.00 0.00 177.57 178.35 3hyu h ILE 112 N 0.30 1.25 -0.73 4.57 2.04 -1.08 -1.44 117.51 122.41 3hyu h ILE 112 Ca 0.13 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3hyu h ILE 112 Cb 0.06 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3hyu h ILE 112 CO -0.10 0.30 0.35 0.00 0.00 0.00 0.00 178.15 178.70 3hyu h ALA 113 N 1.18 0.94 -0.50 1.87 0.00 -0.81 -1.25 119.26 120.69 3hyu h ALA 113 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hyu h ALA 113 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hyu h ALA 113 CO -0.03 0.50 0.26 -0.07 0.00 0.00 0.00 179.25 179.91 3hyu h LEU 114 N 1.02 0.64 -0.85 0.00 3.38 -0.90 -2.06 115.31 116.54 3hyu h LEU 114 Ca 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hyu h LEU 114 Cb 0.12 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3hyu h LEU 114 CO -0.03 0.57 0.52 0.00 0.09 0.00 0.00 178.44 179.59 3hyu h ALA 115 N 1.10 1.09 -0.60 1.53 0.00 -1.05 0.71 119.26 122.03 3hyu h ALA 115 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hyu h ALA 115 Cb 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hyu h ALA 115 CO -0.02 0.54 0.39 1.25 0.00 0.00 0.00 179.25 181.41 3hyu h HIS 116 N 1.17 0.76 0.00 0.00 -0.00 -0.98 -3.05 115.15 113.06 3hyu h HIS 116 Ca 0.31 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.69 3hyu h HIS 116 Cb -0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3hyu h HIS 116 CO -0.00 0.49 -1.41 0.72 -0.00 0.00 0.00 177.93 177.73 3hyu n HIS 117 N -4.66 0.12 -2.87 5.26 8.25 -0.80 -4.53 115.22 115.99 3hyu n HIS 117 Ca 0.04 0.03 -0.16 0.00 -0.26 0.00 0.00 57.72 57.37 3hyu n HIS 117 Cb 0.02 -0.36 -0.00 0.00 1.12 0.00 0.00 29.99 30.77 3hyu n HIS 117 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hyu n HIS 118 N -1.98 1.35 -0.30 4.41 -0.00 0.23 -4.97 115.22 113.95 3hyu n HIS 118 Ca 0.00 -3.34 -0.04 0.00 -0.00 0.00 0.00 57.72 54.35 3hyu n HIS 118 Cb 0.46 -0.37 0.08 0.00 -0.00 0.00 0.00 29.99 30.16 3hyu n HIS 118 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hyu h PRO 119 N 2.95 1.08 -0.50 -0.41 0.13 -1.72 0.34 132.00 133.87 3hyu h PRO 119 Ca 0.04 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 3hyu h PRO 119 Cb 1.00 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 3hyu h PRO 119 CO 0.57 0.72 0.02 0.77 -0.23 0.00 0.00 178.00 179.84 3hyu h SER 120 N 1.11 0.80 1.58 1.44 0.02 -1.93 -2.78 113.55 113.80 3hyu h SER 120 Ca 0.31 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3hyu h SER 120 Cb -0.12 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 3hyu h SER 120 CO -0.07 0.86 -0.42 -0.33 -1.14 0.00 0.00 176.83 175.73 3hyu h GLU 121 N 0.78 0.00 -3.05 3.45 4.39 -1.87 -3.38 114.58 114.90 3hyu h GLU 121 Ca 0.15 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 59.13 3hyu h GLU 121 Cb 0.45 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 3hyu h GLU 121 CO 0.02 0.40 2.78 0.34 -1.16 0.00 0.00 179.01 181.39 3hyu n PHE 122 N -3.19 2.72 -1.25 4.33 7.35 0.07 -4.81 117.46 122.68 3hyu n PHE 122 Ca 0.02 -2.90 -0.29 0.00 -0.76 0.00 0.00 57.45 53.52 3hyu n PHE 122 Cb 0.70 -2.10 0.15 0.00 0.35 0.00 0.00 39.48 38.58 3hyu n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hyu s THR 123 N 0.48 2.29 0.26 -2.13 -4.23 -1.26 -4.67 115.64 106.37 3hyu s THR 123 Ca 0.54 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 61.11 3hyu s THR 123 Cb 0.16 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.62 3hyu s THR 123 CO -0.06 -0.12 1.88 -0.65 -0.54 0.00 0.00 174.62 175.12 3hyu h PRO 124 N -1.70 1.12 -0.63 3.99 0.11 -1.97 0.61 132.00 133.53 3hyu h PRO 124 Ca -0.52 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.45 3hyu h PRO 124 Cb 1.31 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3hyu h PRO 124 CO 0.57 0.74 0.10 0.00 -0.21 0.00 0.00 178.00 179.20 3hyu h THR 126 N 0.96 1.28 -0.65 0.00 2.02 -1.77 -2.49 112.91 112.26 3hyu h THR 126 Ca 0.19 -1.41 0.10 0.00 0.77 0.00 0.00 66.41 66.06 3hyu h THR 126 Cb 0.44 1.36 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 3hyu h THR 126 CO 0.01 0.47 0.25 -0.61 0.37 0.00 0.00 175.52 176.01 3hyu h GLN 127 N 0.64 0.43 -0.84 6.66 4.15 -0.79 -1.96 115.11 123.40 3hyu h GLN 127 Ca 0.08 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.51 3hyu h GLN 127 Cb 0.82 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 3hyu h GLN 127 CO 0.07 0.28 0.53 0.00 -1.93 0.00 0.00 178.83 177.78 3hyu h ALA 128 N 1.44 1.12 -0.34 3.38 0.00 -0.90 0.12 119.26 124.07 3hyu h ALA 128 Ca 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hyu h ALA 128 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hyu h ALA 128 CO -0.32 0.34 0.15 0.00 0.00 0.00 0.00 179.25 179.42 3hyu h ALA 129 N 1.36 0.45 -0.44 0.00 0.00 -1.10 -2.59 119.26 116.93 3hyu h ALA 129 Ca 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3hyu h ALA 129 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hyu h ALA 129 CO -0.13 0.03 0.11 0.74 0.00 0.00 0.00 179.25 180.00 3hyu h PHE 130 N 0.41 0.65 -0.71 0.00 0.04 -0.55 -2.11 116.94 114.68 3hyu h PHE 130 Ca 0.12 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3hyu h PHE 130 Cb 0.15 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 3hyu h PHE 130 CO -0.01 0.56 0.39 1.96 -0.60 0.00 0.00 178.31 180.61 3hyu h GLN 131 N 0.63 0.98 -0.55 1.51 1.08 -0.50 -0.46 115.11 117.81 3hyu h GLN 131 Ca 0.15 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 3hyu h GLN 131 Cb 0.23 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3hyu h GLN 131 CO -0.00 0.72 -0.07 0.87 -0.95 0.00 0.00 178.83 179.39 3hyu h LYS 132 N 0.99 1.01 0.06 1.46 1.57 -1.02 -2.00 116.57 118.64 3hyu h LYS 132 Ca 0.25 -0.35 -0.25 0.00 -1.87 0.00 0.00 60.65 58.43 3hyu h LYS 132 Cb 0.02 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hyu h LYS 132 CO -0.04 1.03 -1.08 -0.24 -0.57 0.00 0.00 179.45 178.55 3hyu h VAL 133 N 0.91 1.42 -0.41 0.50 3.04 -1.06 -0.88 116.25 119.77 3hyu h VAL 133 Ca 0.15 -2.67 -0.09 0.00 -1.01 0.00 0.00 66.70 63.08 3hyu h VAL 133 Cb 0.63 2.64 -0.02 0.00 -2.01 0.00 0.00 31.29 32.53 3hyu h VAL 133 CO 0.04 0.79 -0.13 0.71 -1.01 0.00 0.00 177.57 177.97 3hyu h THR 134 N 0.18 1.26 -0.65 3.17 1.35 -1.10 -0.59 112.91 116.52 3hyu h THR 134 Ca -0.11 -1.18 -0.05 0.00 -0.55 0.00 0.00 66.41 64.51 3hyu h THR 134 Cb 1.75 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 3hyu h THR 134 CO 0.19 0.40 0.21 0.00 -0.25 0.00 0.00 175.52 176.06 3hyu h ALA 135 N 1.19 0.86 -0.67 6.62 0.00 -1.30 -1.26 119.26 124.69 3hyu h ALA 135 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hyu h ALA 135 Cb 0.60 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hyu h ALA 135 CO 0.04 0.53 0.37 0.78 0.00 0.00 0.00 179.25 180.97 3hyu h GLY 136 N 0.95 1.00 1.00 0.00 0.00 -0.66 -0.24 103.07 105.12 3hyu h GLY 136 Ca 0.21 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3hyu h GLY 136 CO -0.01 0.43 -0.00 -2.08 0.00 0.00 0.00 176.54 174.88 3hyu h VAL 137 N 0.91 1.26 -0.65 4.60 2.07 -0.97 -1.32 116.25 122.15 3hyu h VAL 137 Ca 0.24 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3hyu h VAL 137 Cb 0.03 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hyu h VAL 137 CO -0.04 0.37 0.42 0.00 0.02 0.00 0.00 177.57 178.35 3hyu h ALA 138 N 0.93 0.83 -0.76 1.67 0.00 -0.95 -0.69 119.26 120.28 3hyu h ALA 138 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hyu h ALA 138 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hyu h ALA 138 CO 0.03 0.27 0.34 -0.97 0.00 0.00 0.00 179.25 178.92 3hyu h ASN 139 N 0.89 1.02 -0.65 0.00 -0.73 -0.86 -1.68 115.58 113.56 3hyu h ASN 139 Ca 0.24 -0.15 -0.07 0.00 1.87 0.00 0.00 56.30 58.19 3hyu h ASN 139 Cb -0.08 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.22 3hyu h ASN 139 CO -0.05 0.89 0.13 0.00 -0.37 0.00 0.00 177.43 178.03 3hyu h ALA 140 N 1.17 0.86 0.00 1.57 0.00 -0.93 -2.37 119.26 119.56 3hyu h ALA 140 Ca 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hyu h ALA 140 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hyu h ALA 140 CO -0.03 0.60 -0.23 -0.07 0.00 0.00 0.00 179.25 179.52 3hyu h LEU 141 N 0.97 0.00 -0.72 0.00 3.38 -0.87 -2.68 115.31 115.40 3hyu h LEU 141 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hyu h LEU 141 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hyu h LEU 141 CO 0.01 0.23 -0.18 0.00 0.09 0.00 0.00 178.44 178.59 3hyu n ALA 142 N -2.31 2.92 -0.14 1.53 0.00 -0.66 -4.45 120.51 117.40 3hyu n ALA 142 Ca -0.01 -0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.05 3hyu n ALA 142 Cb 0.35 -1.11 0.38 0.00 0.00 0.00 0.00 19.45 19.06 3hyu n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hyu h HIS 143 N 1.75 0.68 0.00 0.00 6.17 -1.07 -0.22 115.15 122.46 3hyu h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 3hyu h HIS 143 Cb 0.53 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.24 3hyu h HIS 143 CO 0.00 0.37 0.00 1.63 0.71 0.00 0.00 177.93 180.64 3hyu n LYS 144 N -4.47 0.14 0.20 5.26 4.76 -1.26 -1.52 118.16 121.26 3hyu n LYS 144 Ca 0.09 0.49 0.09 0.00 -2.87 0.00 0.00 58.31 56.11 3hyu n LYS 144 Cb 0.21 -1.83 0.25 0.00 -1.84 0.00 0.00 35.03 31.82 3hyu n LYS 144 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3hyu h TYR 145 N 0.00 0.00 -0.03 2.13 0.05 -1.37 -3.49 116.97 114.27 3hyu h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hyu h TYR 145 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3hyu h TYR 145 CO 0.00 0.23 0.00 0.72 -1.05 0.00 0.00 178.16 178.06