#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vml s LYS 2 N 0.00 4.06 0.25 2.12 2.20 -1.26 -4.75 119.74 122.34 2vml s LYS 2 Ca 0.00 1.50 0.01 0.00 -0.36 0.00 0.00 55.97 57.12 2vml s LYS 2 Cb 0.00 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2vml s LYS 2 CO 0.00 -0.94 0.13 0.95 -0.36 0.00 0.00 175.35 175.12 2vml s THR 3 N 4.04 0.29 0.30 3.43 -4.23 -1.26 -1.02 115.64 117.19 2vml s THR 3 Ca 0.57 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2vml s THR 3 Cb -0.20 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.36 2vml s THR 3 CO 0.20 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 176.74 2vml h VAL 4 N 2.44 1.00 -0.07 2.29 2.07 -1.66 -0.77 116.25 121.56 2vml h VAL 4 Ca -0.36 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 2vml h VAL 4 Cb 1.25 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2vml h VAL 4 CO 0.56 0.18 -0.19 0.40 0.02 0.00 0.00 177.57 178.53 2vml h ILE 5 N 1.00 1.43 -0.39 4.57 2.04 -1.91 -0.96 117.51 123.28 2vml h ILE 5 Ca 0.43 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 2vml h ILE 5 Cb 0.34 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2vml h ILE 5 CO -0.19 0.44 -0.02 0.71 0.00 0.00 0.00 178.15 179.09 2vml h THR 6 N -0.25 1.22 -0.21 -0.27 1.35 -1.83 -1.87 112.91 111.07 2vml h THR 6 Ca -0.01 -0.92 -0.14 0.00 -0.55 0.00 0.00 66.41 64.79 2vml h THR 6 Cb 0.81 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2vml h THR 6 CO 0.04 0.32 -0.48 -0.08 -0.25 0.00 0.00 175.52 175.07 2vml h GLU 7 N 0.60 0.54 -0.07 4.72 4.81 -0.99 0.37 114.58 124.56 2vml h GLU 7 Ca 0.12 -0.31 -0.18 0.00 -0.13 0.00 0.00 59.36 58.86 2vml h GLU 7 Cb 0.41 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2vml h GLU 7 CO 0.02 0.90 -0.74 -0.39 -0.73 0.00 0.00 179.01 178.06 2vml h VAL 8 N 0.43 1.39 -0.15 0.32 -1.51 -1.07 -2.41 116.25 113.25 2vml h VAL 8 Ca 0.02 -2.18 -0.02 0.00 -1.23 0.00 0.00 66.70 63.29 2vml h VAL 8 Cb 0.99 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 32.30 2vml h VAL 8 CO 0.09 0.65 0.02 0.40 -1.23 0.00 0.00 177.57 177.50 2vml h ILE 9 N 0.25 1.23 -1.00 7.19 2.04 -1.26 -1.90 117.51 124.05 2vml h ILE 9 Ca -0.03 -0.74 0.12 0.00 1.00 0.00 0.00 64.86 65.21 2vml h ILE 9 Cb 1.32 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.74 2vml h ILE 9 CO 0.13 0.22 0.63 0.00 0.00 0.00 0.00 178.15 179.12 2vml h ALA 10 N 0.80 1.51 0.43 1.87 0.00 -0.97 0.18 119.26 123.07 2vml h ALA 10 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2vml h ALA 10 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2vml h ALA 10 CO 0.00 0.22 -0.21 1.03 0.00 0.00 0.00 179.25 180.30 2vml h SER 11 N 0.99 -0.49 -0.40 0.00 0.87 -1.24 0.17 113.55 113.46 2vml h SER 11 Ca 0.50 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 61.06 2vml h SER 11 Cb 0.49 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 2vml h SER 11 CO -0.27 -0.29 0.21 0.00 -0.53 0.00 0.00 176.83 175.95 2vml h ALA 12 N -0.10 0.50 -0.73 6.23 0.00 -1.02 -2.97 119.26 121.17 2vml h ALA 12 Ca -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2vml h ALA 12 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2vml h ALA 12 CO 0.10 -0.14 0.33 0.22 0.00 0.00 0.00 179.25 179.75 2vml h ASP 13 N 0.42 0.97 -0.00 0.00 3.58 -0.59 -1.76 116.42 119.05 2vml h ASP 13 Ca 0.17 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2vml h ASP 13 Cb 0.06 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2vml h ASP 13 CO -0.11 0.85 0.01 0.77 -2.88 0.00 0.00 179.24 177.88 2vml h SER 14 N 1.03 0.00 -0.42 2.28 4.64 -0.80 -1.39 113.55 118.89 2vml h SER 14 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2vml h SER 14 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2vml h SER 14 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 2vml n GLN 15 N -3.46 2.44 -3.29 4.77 6.02 -0.77 -4.98 117.38 118.11 2vml n GLN 15 Ca -0.03 -2.23 -0.18 0.00 -0.01 0.00 0.00 57.00 54.55 2vml n GLN 15 Cb 0.08 -1.46 0.06 0.00 1.02 0.00 0.00 30.24 29.94 2vml n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vml n GLY 16 N 1.28 -0.20 3.14 1.08 0.00 -0.53 -4.99 105.19 104.98 2vml n GLY 16 Ca 0.18 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 2vml n GLY 16 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vml s ARG 17 N -5.95 1.17 0.57 1.61 3.52 -0.73 -5.03 118.95 114.10 2vml s ARG 17 Ca 0.43 -0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 55.22 2vml s ARG 17 Cb -0.19 -1.15 -0.04 0.00 -1.56 0.00 0.00 34.95 32.01 2vml s ARG 17 CO 0.53 0.31 1.26 -0.06 -0.81 0.00 0.00 175.30 176.53 2vml s PHE 18 N -0.49 2.37 0.27 5.12 0.08 -1.26 -4.27 117.98 119.79 2vml s PHE 18 Ca 0.05 1.47 -0.30 0.00 0.12 0.00 0.00 56.93 58.27 2vml s PHE 18 Cb -0.06 -3.60 -0.11 0.00 -0.57 0.00 0.00 43.02 38.67 2vml s PHE 18 CO 0.00 -2.45 1.57 -0.51 -0.10 0.00 0.00 175.22 173.73 2vml s LEU 19 N -3.82 4.36 0.00 -0.37 1.43 -1.26 -4.96 118.68 114.06 2vml s LEU 19 Ca 0.75 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.70 2vml s LEU 19 Cb -0.34 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2vml s LEU 19 CO 0.39 -0.86 0.00 -0.46 0.23 0.00 0.00 176.35 175.64 2vml n ASN 20 N 2.51 1.73 0.26 2.29 0.23 -1.26 -4.99 115.26 116.03 2vml n ASN 20 Ca 0.09 -0.87 0.08 0.00 -0.53 0.00 0.00 54.58 53.35 2vml n ASN 20 Cb 0.38 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.72 2vml n ASN 20 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2vml h ASN 21 N 0.00 0.00 -0.08 0.53 -0.73 -1.98 -1.51 115.58 111.80 2vml h ASN 21 Ca 0.00 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.21 2vml h ASN 21 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 2vml h ASN 21 CO 0.00 0.02 -0.19 0.74 -0.37 0.00 0.00 177.43 177.63 2vml h THR 22 N 0.00 0.53 -0.04 -3.57 2.02 -2.00 -1.58 112.91 108.26 2vml h THR 22 Ca -0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 2vml h THR 22 Cb 0.04 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2vml h THR 22 CO 0.00 0.00 -0.86 -0.33 0.37 0.00 0.00 175.52 174.70 2vml h GLU 23 N -0.26 0.45 -0.48 6.66 3.07 -1.71 -3.07 114.58 119.25 2vml h GLU 23 Ca 0.08 -0.44 -0.09 0.00 -0.50 0.00 0.00 59.36 58.41 2vml h GLU 23 Cb 0.38 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2vml h GLU 23 CO -0.24 1.08 -0.08 -0.07 -1.40 0.00 0.00 179.01 178.31 2vml h LEU 24 N 0.28 0.83 -0.71 1.33 3.38 -1.22 -0.77 115.31 118.44 2vml h LEU 24 Ca -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2vml h LEU 24 Cb 1.48 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2vml h LEU 24 CO 0.15 0.94 0.36 1.56 0.09 0.00 0.00 178.44 181.54 2vml h GLN 25 N 0.77 1.01 -0.08 1.13 4.20 -1.31 -1.34 115.11 119.50 2vml h GLN 25 Ca 0.13 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2vml h GLN 25 Cb 0.57 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 2vml h GLN 25 CO 0.03 0.78 -0.12 0.00 -0.67 0.00 0.00 178.83 178.86 2vml h ALA 26 N 1.17 -0.07 -0.89 3.87 0.00 -1.39 -2.70 119.26 119.25 2vml h ALA 26 Ca 0.25 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2vml h ALA 26 Cb 0.09 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2vml h ALA 26 CO -0.03 -0.59 0.55 0.00 0.00 0.00 0.00 179.25 179.18 2vml h ALA 27 N 0.87 1.25 -0.76 0.00 0.00 -0.96 -0.95 119.26 118.72 2vml h ALA 27 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2vml h ALA 27 Cb 0.27 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2vml h ALA 27 CO -0.18 0.27 0.50 -0.97 0.00 0.00 0.00 179.25 178.86 2vml h ASN 28 N 0.97 0.67 -0.88 0.00 -1.24 -1.08 -1.88 115.58 112.14 2vml h ASN 28 Ca 0.40 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 2vml h ASN 28 Cb 0.24 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.12 2vml h ASN 28 CO -0.20 0.42 0.47 1.23 -1.29 0.00 0.00 177.43 178.06 2vml h GLY 29 N 0.75 1.32 0.82 1.57 0.00 -0.85 -0.03 103.07 106.66 2vml h GLY 29 Ca 0.34 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.08 2vml h GLY 29 CO -0.12 0.59 0.05 -0.09 0.00 0.00 0.00 176.54 176.97 2vml h ARG 30 N 1.24 0.13 -0.23 4.80 1.12 -1.23 -2.51 114.38 117.70 2vml h ARG 30 Ca 0.31 -0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 59.01 2vml h ARG 30 Cb 0.05 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2vml h ARG 30 CO -0.05 0.08 -0.50 0.74 -3.11 0.00 0.00 179.97 177.14 2vml h PHE 31 N 0.13 0.77 0.00 2.20 0.04 -1.03 -2.66 116.94 116.40 2vml h PHE 31 Ca 0.08 -0.26 -0.09 0.00 2.80 0.00 0.00 57.97 60.50 2vml h PHE 31 Cb 0.07 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2vml h PHE 31 CO -0.13 1.00 -0.44 0.37 -0.60 0.00 0.00 178.31 178.51 2vml h GLN 32 N 0.49 0.00 0.00 1.51 4.15 -1.01 -3.06 115.11 117.18 2vml h GLN 32 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2vml h GLN 32 Cb 1.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2vml h GLN 32 CO 0.10 0.44 -0.23 -0.09 -1.93 0.00 0.00 178.83 177.12 2vml h ARG 33 N 0.00 0.00 -0.95 1.69 9.65 -1.28 -3.38 114.38 120.10 2vml h ARG 33 Ca -0.00 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.03 2vml h ARG 33 Cb 0.81 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.31 2vml h ARG 33 CO 0.06 0.00 0.60 0.00 2.80 0.00 0.00 179.97 183.43 2vml h ALA 34 N 2.16 1.75 -0.02 2.80 0.00 -1.37 -1.61 119.26 122.97 2vml h ALA 34 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 34 Cb 0.92 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2vml h ALA 34 CO 0.00 -0.03 0.01 1.15 0.00 0.00 0.00 179.25 180.38 2vml h THR 35 N 0.76 1.11 -0.61 0.00 2.02 -1.78 0.15 112.91 114.56 2vml h THR 35 Ca 0.50 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 67.36 2vml h THR 35 Cb 0.76 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2vml h THR 35 CO -0.27 0.09 0.40 0.00 0.37 0.00 0.00 175.52 176.12 2vml h ALA 36 N 0.88 0.77 -0.68 6.16 0.00 -1.73 -2.18 119.26 122.48 2vml h ALA 36 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2vml h ALA 36 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2vml h ALA 36 CO -0.00 0.21 0.31 0.77 0.00 0.00 0.00 179.25 180.54 2vml h SER 37 N 0.83 0.91 0.33 0.00 0.02 -1.08 -2.08 113.55 112.47 2vml h SER 37 Ca 0.22 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 2vml h SER 37 Cb -0.09 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2vml h SER 37 CO -0.05 0.80 -0.62 0.24 -1.14 0.00 0.00 176.83 176.06 2vml h MET 38 N 0.95 0.29 -0.71 3.45 2.86 -0.60 -0.83 114.93 120.35 2vml h MET 38 Ca 0.23 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2vml h MET 38 Cb 0.15 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2vml h MET 38 CO -0.03 0.82 0.39 1.49 1.06 0.00 0.00 176.91 180.64 2vml h GLU 39 N 0.21 1.00 -0.13 1.72 4.81 -1.22 -1.11 114.58 119.86 2vml h GLU 39 Ca -0.01 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2vml h GLU 39 Cb 1.15 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2vml h GLU 39 CO 0.10 0.75 0.05 0.00 -0.73 0.00 0.00 179.01 179.18 2vml h ALA 40 N 1.20 0.17 -0.35 2.92 0.00 -1.15 -2.66 119.26 119.38 2vml h ALA 40 Ca 0.25 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2vml h ALA 40 Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2vml h ALA 40 CO -0.04 -0.24 0.17 0.00 0.00 0.00 0.00 179.25 179.14 2vml h ALA 41 N 0.89 0.43 -0.97 0.00 0.00 -0.96 -1.82 119.26 116.82 2vml h ALA 41 Ca 0.04 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 41 Cb 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2vml h ALA 41 CO -0.00 -0.20 0.64 0.00 0.00 0.00 0.00 179.25 179.69 2vml h ARG 42 N 0.36 1.16 -0.37 0.00 3.08 -1.20 0.32 114.38 117.73 2vml h ARG 42 Ca 0.15 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 2vml h ARG 42 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2vml h ARG 42 CO -0.10 0.77 -0.38 0.00 -1.07 0.00 0.00 179.97 179.19 2vml h ALA 43 N 1.45 0.63 -0.10 0.04 0.00 -1.09 -1.88 119.26 118.31 2vml h ALA 43 Ca 0.40 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2vml h ALA 43 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2vml h ALA 43 CO -0.13 0.67 -0.63 -0.07 0.00 0.00 0.00 179.25 179.09 2vml h LEU 44 N 0.72 0.41 -0.18 0.00 4.07 -1.13 -2.40 115.31 116.80 2vml h LEU 44 Ca 0.06 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 2vml h LEU 44 Cb 0.95 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2vml h LEU 44 CO 0.09 0.94 -0.02 0.74 -1.08 0.00 0.00 178.44 179.11 2vml h THR 45 N 0.26 1.27 0.00 0.22 2.02 -0.90 -2.54 112.91 113.24 2vml h THR 45 Ca -0.01 -0.92 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 2vml h THR 45 Cb 1.17 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 2vml h THR 45 CO 0.11 0.28 -0.32 0.77 0.37 0.00 0.00 175.52 176.72 2vml h SER 46 N 0.07 0.00 -0.69 4.18 4.64 -1.33 -3.02 113.55 117.40 2vml h SER 46 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2vml h SER 46 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2vml h SER 46 CO 0.01 0.32 0.00 0.59 -0.87 0.00 0.00 176.83 176.88 2vml n ASN 47 N -3.33 3.79 -0.18 4.97 3.02 -0.91 -4.71 115.26 117.92 2vml n ASN 47 Ca 0.01 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.50 2vml n ASN 47 Cb 0.55 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2vml n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vml h ALA 48 N 4.33 0.68 -0.29 5.41 0.00 -1.31 -0.41 119.26 127.66 2vml h ALA 48 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2vml h ALA 48 Cb 0.96 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2vml h ALA 48 CO 0.00 0.07 0.17 -0.44 0.00 0.00 0.00 179.25 179.04 2vml h ASP 49 N 0.67 0.36 0.47 0.00 3.32 -1.84 -0.23 116.42 119.16 2vml h ASP 49 Ca 0.21 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 2vml h ASP 49 Cb -0.02 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2vml h ASP 49 CO -0.07 0.33 -0.73 0.77 -1.72 0.00 0.00 179.24 177.82 2vml h SER 50 N 0.36 0.26 -0.33 6.45 4.64 -1.86 -1.99 113.55 121.07 2vml h SER 50 Ca 0.10 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2vml h SER 50 Cb 0.04 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2vml h SER 50 CO -0.02 0.90 0.09 -0.07 -0.87 0.00 0.00 176.83 176.86 2vml h LEU 51 N 0.14 0.50 -0.09 5.97 3.38 -0.84 -1.70 115.31 122.67 2vml h LEU 51 Ca -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2vml h LEU 51 Cb 1.29 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2vml h LEU 51 CO 0.11 0.59 0.06 0.58 0.09 0.00 0.00 178.44 179.86 2vml h VAL 52 N 0.39 1.06 -0.27 1.22 2.07 -1.05 -2.01 116.25 117.64 2vml h VAL 52 Ca 0.11 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2vml h VAL 52 Cb 0.28 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2vml h VAL 52 CO -0.00 0.05 0.16 0.11 0.02 0.00 0.00 177.57 177.91 2vml h LYS 53 N 0.09 0.32 -0.16 1.57 1.57 -1.27 -1.49 116.57 117.21 2vml h LYS 53 Ca 0.03 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2vml h LYS 53 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2vml h LYS 53 CO -0.01 0.21 -0.30 0.78 -0.57 0.00 0.00 179.45 179.57 2vml h GLY 54 N 0.33 0.33 0.78 3.86 0.00 -1.34 -2.01 103.07 105.03 2vml h GLY 54 Ca 0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 2vml h GLY 54 CO -0.05 0.25 -0.09 0.00 0.00 0.00 0.00 176.54 176.65 2vml h ALA 55 N 1.42 0.25 -0.43 3.60 0.00 -0.99 -1.48 119.26 121.63 2vml h ALA 55 Ca 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2vml h ALA 55 Cb 0.67 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2vml h ALA 55 CO 0.05 0.08 0.27 0.28 0.00 0.00 0.00 179.25 179.92 2vml h VAL 56 N 0.06 1.07 -0.19 0.00 2.07 -1.26 -2.26 116.25 115.73 2vml h VAL 56 Ca 0.04 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2vml h VAL 56 Cb 0.58 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2vml h VAL 56 CO 0.03 0.10 -0.21 -0.61 0.02 0.00 0.00 177.57 176.89 2vml h GLN 57 N 0.54 0.34 -0.23 1.57 5.75 -1.34 -2.48 115.11 119.27 2vml h GLN 57 Ca 0.16 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 2vml h GLN 57 Cb -0.02 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2vml h GLN 57 CO -0.06 0.55 -0.29 1.49 -2.65 0.00 0.00 178.83 177.87 2vml h GLU 58 N 0.31 0.46 -0.34 1.69 4.57 -1.05 -0.50 114.58 119.72 2vml h GLU 58 Ca 0.05 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2vml h GLU 58 Cb 0.56 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2vml h GLU 58 CO 0.04 0.71 0.13 0.28 -1.18 0.00 0.00 179.01 178.99 2vml h VAL 59 N 0.40 0.93 0.00 0.32 2.07 -0.96 -0.19 116.25 118.82 2vml h VAL 59 Ca 0.05 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2vml h VAL 59 Cb 0.71 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2vml h VAL 59 CO 0.05 0.05 -0.33 1.88 0.02 0.00 0.00 177.57 179.25 2vml h TYR 60 N 0.29 0.00 -0.20 1.57 0.05 -1.20 0.66 116.97 118.14 2vml h TYR 60 Ca 0.15 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.75 2vml h TYR 60 Cb 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2vml h TYR 60 CO -0.13 0.33 -0.60 -0.91 -1.05 0.00 0.00 178.16 175.80 2vml h ASN 61 N 0.00 0.75 0.58 3.88 2.35 -0.51 -2.88 115.58 119.76 2vml h ASN 61 Ca -0.00 -0.42 -0.28 0.00 -0.55 0.00 0.00 56.30 55.04 2vml h ASN 61 Cb 0.61 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.77 2vml h ASN 61 CO 0.04 1.18 -1.30 0.50 -1.65 0.00 0.00 177.43 176.20 2vml h LYS 62 N 0.50 0.29 -2.30 0.81 1.63 -0.77 -3.38 116.57 113.34 2vml h LYS 62 Ca -0.00 -0.49 -0.60 0.00 -0.85 0.00 0.00 60.65 58.71 2vml h LYS 62 Cb 1.18 0.18 -0.41 0.00 -0.60 0.00 0.00 32.23 32.58 2vml h LYS 62 CO 0.12 1.22 -0.69 1.19 -3.45 0.00 0.00 179.45 177.84 2vml n PHE 63 N -3.53 2.74 0.26 1.91 3.72 0.20 -4.97 117.46 117.79 2vml n PHE 63 Ca -0.10 -4.05 0.10 0.00 -0.05 0.00 0.00 57.45 53.34 2vml n PHE 63 Cb 1.03 -0.50 0.69 0.00 -0.94 0.00 0.00 39.48 39.76 2vml n PHE 63 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2vml h PRO 64 N 4.39 0.00 0.00 -1.08 0.11 -1.70 -2.20 132.00 131.52 2vml h PRO 64 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 2vml h PRO 64 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 2vml h PRO 64 CO 0.74 0.03 -0.00 0.10 -0.21 0.00 0.00 178.00 178.66 2vml h TYR 65 N 0.00 0.00 -0.12 0.65 -0.00 -1.93 -2.77 116.97 112.80 2vml h TYR 65 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2vml h TYR 65 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.78 2vml h TYR 65 CO 0.00 0.00 -0.03 -0.07 -0.00 0.00 0.00 178.16 178.06 2vml h LEU 66 N 0.00 0.15 -1.48 0.10 3.38 -1.75 -2.79 115.31 112.93 2vml h LEU 66 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2vml h LEU 66 Cb 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2vml h LEU 66 CO 0.00 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.10 2vml n THR 67 N -4.40 0.50 -2.97 0.22 -2.24 -1.04 -0.77 114.28 103.58 2vml n THR 67 Ca -0.01 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 2vml n THR 67 Cb 0.18 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 2vml n THR 67 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2vml s GLN 68 N -1.50 4.11 0.23 -0.78 -1.52 -1.06 -4.70 119.66 114.44 2vml s GLN 68 Ca 0.29 0.89 -0.31 0.00 -1.95 0.00 0.00 55.36 54.28 2vml s GLN 68 Cb 0.15 -2.30 -0.15 0.00 -0.22 0.00 0.00 33.01 30.49 2vml s GLN 68 CO 0.20 0.05 1.11 -2.30 -0.25 0.00 0.00 175.29 174.10 2vml n PRO 69 N -0.54 1.29 -0.01 2.91 -0.02 -1.26 -1.75 135.00 135.61 2vml n PRO 69 Ca 0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2vml n PRO 69 Cb 0.54 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2vml n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vml n GLY 70 N 1.70 1.91 3.99 -1.23 0.00 -1.26 -5.04 105.19 105.26 2vml n GLY 70 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 2vml n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vml s GLN 71 N -0.36 3.07 0.00 1.61 -1.52 -0.72 -5.02 119.66 116.73 2vml s GLN 71 Ca 0.00 -1.00 0.25 0.00 -1.95 0.00 0.00 55.36 52.67 2vml s GLN 71 Cb 0.00 -2.79 1.32 0.00 -0.22 0.00 0.00 33.01 31.32 2vml s GLN 71 CO 0.00 -0.01 1.88 -1.33 -0.25 0.00 0.00 175.29 175.57 2vml n MET 72 N -1.71 1.24 -0.35 2.91 2.81 -1.25 -2.36 117.12 118.42 2vml n MET 72 Ca 0.01 -0.36 0.07 0.00 -1.81 0.00 0.00 57.70 55.62 2vml n MET 72 Cb 0.58 -1.42 0.23 0.00 -0.71 0.00 0.00 33.22 31.90 2vml n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2vml n GLY 73 N 0.99 3.21 3.74 3.03 0.00 0.05 -4.75 105.19 111.46 2vml n GLY 73 Ca 0.19 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2vml n GLY 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vml s TYR 74 N -1.79 3.42 0.00 1.61 5.04 -1.00 -4.38 117.35 120.26 2vml s TYR 74 Ca 0.35 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2vml s TYR 74 Cb 0.23 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.38 2vml s TYR 74 CO 0.15 0.31 0.00 0.41 -1.34 0.00 0.00 175.55 175.07 2vml n GLY 75 N 3.44 1.72 0.21 8.97 0.00 -1.26 -4.39 105.19 113.87 2vml n GLY 75 Ca -0.16 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.07 2vml n GLY 75 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2vml h ASP 76 N 0.00 0.22 -0.12 1.61 3.04 -1.99 -2.31 116.42 116.87 2vml h ASP 76 Ca 0.00 -0.07 -0.05 0.00 -3.24 0.00 0.00 57.03 53.66 2vml h ASP 76 Cb 0.00 -0.06 -0.00 0.00 -1.04 0.00 0.00 39.33 38.23 2vml h ASP 76 CO 0.00 0.53 -0.13 0.74 -2.04 0.00 0.00 179.24 178.34 2vml h THR 77 N 0.19 1.35 -0.55 1.15 2.02 -1.99 0.12 112.91 115.21 2vml h THR 77 Ca 0.03 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 65.93 2vml h THR 77 Cb 0.66 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 2vml h THR 77 CO 0.05 0.38 0.34 0.78 0.37 0.00 0.00 175.52 177.43 2vml h ASN 78 N -0.08 0.56 0.13 4.18 2.35 -1.74 -1.69 115.58 119.29 2vml h ASN 78 Ca 0.02 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 2vml h ASN 78 Cb 0.66 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2vml h ASN 78 CO 0.03 0.40 -0.48 1.56 -1.65 0.00 0.00 177.43 177.29 2vml h GLN 79 N 0.68 0.41 -0.57 0.81 4.20 -1.36 -2.41 115.11 116.87 2vml h GLN 79 Ca 0.22 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 2vml h GLN 79 Cb -0.01 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2vml h GLN 79 CO -0.08 0.80 0.03 0.00 -0.67 0.00 0.00 178.83 178.92 2vml h ALA 80 N 1.16 0.76 -0.22 3.87 0.00 -0.62 -2.50 119.26 121.71 2vml h ALA 80 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2vml h ALA 80 Cb 0.97 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2vml h ALA 80 CO 0.08 0.56 -0.18 0.87 0.00 0.00 0.00 179.25 180.59 2vml h LYS 81 N 0.87 0.37 0.14 0.00 1.57 -1.25 -1.60 116.57 116.67 2vml h LYS 81 Ca 0.16 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2vml h LYS 81 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2vml h LYS 81 CO 0.02 0.54 -0.07 0.00 -0.57 0.00 0.00 179.45 179.38 2vml h ALA 83 N 0.61 0.90 -0.09 0.00 0.00 -1.34 -0.89 119.26 118.45 2vml h ALA 83 Ca -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2vml h ALA 83 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2vml h ALA 83 CO 0.03 0.40 -0.02 -0.09 0.00 0.00 0.00 179.25 179.58 2vml h ARG 84 N 0.96 0.01 -0.27 0.00 2.43 -1.25 -1.45 114.38 114.81 2vml h ARG 84 Ca 0.25 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2vml h ARG 84 Cb 0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2vml h ARG 84 CO -0.04 0.00 0.14 -0.44 -1.51 0.00 0.00 179.97 178.13 2vml h ASP 85 N 0.01 0.34 -0.78 -3.80 5.19 -0.77 -0.02 116.42 116.59 2vml h ASP 85 Ca 0.04 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.32 2vml h ASP 85 Cb 0.06 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 2vml h ASP 85 CO -0.09 0.34 0.35 0.40 -3.12 0.00 0.00 179.24 177.12 2vml h ILE 86 N 0.32 1.25 -0.69 0.35 2.04 -1.16 -2.03 117.51 117.59 2vml h ILE 86 Ca 0.09 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 2vml h ILE 86 Cb 0.08 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2vml h ILE 86 CO -0.01 0.31 0.33 -1.28 0.00 0.00 0.00 178.15 177.50 2vml h SER 87 N 1.13 0.88 -0.00 1.72 0.87 -0.98 -1.89 113.55 115.28 2vml h SER 87 Ca 0.27 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2vml h SER 87 Cb 0.16 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2vml h SER 87 CO -0.03 0.75 -0.15 0.45 -0.53 0.00 0.00 176.83 177.31 2vml h HIS 88 N 0.97 -0.39 -0.43 2.24 3.86 -0.40 0.16 115.15 121.16 2vml h HIS 88 Ca 0.24 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.51 2vml h HIS 88 Cb 0.10 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 2vml h HIS 88 CO 0.01 -0.22 0.17 1.88 0.86 0.00 0.00 177.93 180.63 2vml h TYR 89 N -0.25 0.31 -0.56 2.45 0.05 -1.12 0.13 116.97 117.97 2vml h TYR 89 Ca 0.05 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.75 2vml h TYR 89 Cb 0.32 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 2vml h TYR 89 CO -0.21 0.13 -0.05 1.25 -1.05 0.00 0.00 178.16 178.23 2vml h LEU 90 N 0.35 1.00 -0.20 3.88 5.85 -1.15 -0.80 115.31 124.24 2vml h LEU 90 Ca 0.20 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2vml h LEU 90 Cb 0.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2vml h LEU 90 CO -0.18 1.08 0.11 -0.09 -0.34 0.00 0.00 178.44 179.02 2vml h ARG 91 N 0.92 0.28 0.00 1.25 2.43 -0.32 -1.91 114.38 117.03 2vml h ARG 91 Ca 0.16 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2vml h ARG 91 Cb 0.60 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2vml h ARG 91 CO 0.04 0.26 -0.16 0.74 -1.51 0.00 0.00 179.97 179.33 2vml h PHE 92 N 0.22 0.00 -0.23 2.20 0.04 -0.80 -1.32 116.94 117.05 2vml h PHE 92 Ca 0.07 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 2vml h PHE 92 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2vml h PHE 92 CO -0.04 0.16 -0.11 0.82 -0.60 0.00 0.00 178.31 178.54 2vml h ILE 93 N 0.00 1.30 -0.35 -0.55 2.04 -0.97 -2.12 117.51 116.87 2vml h ILE 93 Ca -0.00 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 2vml h ILE 93 Cb 0.68 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2vml h ILE 93 CO 0.02 0.37 -0.00 0.71 0.00 0.00 0.00 178.15 179.25 2vml h THR 94 N 0.21 1.20 -0.43 -0.27 1.35 -0.88 -0.81 112.91 113.27 2vml h THR 94 Ca 0.05 -0.80 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 2vml h THR 94 Cb 0.61 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 2vml h THR 94 CO 0.03 0.28 -0.01 1.88 -0.25 0.00 0.00 175.52 177.45 2vml h TYR 95 N 0.52 0.85 -0.29 4.73 0.05 -1.21 -1.55 116.97 120.07 2vml h TYR 95 Ca 0.11 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 2vml h TYR 95 Cb 0.34 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 2vml h TYR 95 CO 0.01 0.84 0.08 0.77 -1.05 0.00 0.00 178.16 178.82 2vml h SER 96 N 0.61 0.43 0.08 3.88 0.02 -1.08 0.31 113.55 117.80 2vml h SER 96 Ca 0.12 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2vml h SER 96 Cb 0.51 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 2vml h SER 96 CO 0.03 0.53 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.67 2vml h LEU 97 N 0.30 -1.51 -1.62 5.07 3.38 -1.09 -1.99 115.31 117.84 2vml h LEU 97 Ca 0.09 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2vml h LEU 97 Cb 0.26 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2vml h LEU 97 CO -0.00 -0.53 0.02 0.58 0.09 0.00 0.00 178.44 178.60 2vml h VAL 98 N -0.70 1.11 0.00 1.22 2.07 -1.15 -3.12 116.25 115.68 2vml h VAL 98 Ca 0.01 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2vml h VAL 98 Cb 0.73 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2vml h VAL 98 CO -0.30 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.42 2vml h ALA 99 N 1.77 1.00 -1.04 1.67 0.00 0.06 -3.47 119.26 119.25 2vml h ALA 99 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2vml h ALA 99 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2vml h ALA 99 CO -0.00 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.58 2vml n GLY 100 N 1.13 0.52 0.00 0.00 0.00 -0.79 -4.68 105.19 101.38 2vml n GLY 100 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2vml n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vml n GLY 101 N -0.84 0.61 0.00 -0.02 0.00 -1.09 -1.93 105.19 101.92 2vml n GLY 101 Ca -0.01 -0.98 0.15 0.00 0.00 0.00 0.00 46.02 45.18 2vml n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vml n THR 102 N -0.40 0.01 -0.32 2.61 -2.24 -1.24 -4.43 114.28 108.28 2vml n THR 102 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2vml n THR 102 Cb 0.00 -0.50 0.08 0.00 -2.10 0.00 0.00 70.33 67.81 2vml n THR 102 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2vml h GLY 103 N 4.98 0.39 0.76 3.38 0.00 -1.42 0.72 103.07 111.88 2vml h GLY 103 Ca 0.00 0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.75 2vml h GLY 103 CO 0.00 -0.29 0.40 -2.55 0.00 0.00 0.00 176.54 174.11 2vml h PRO 104 N -0.02 0.74 -0.30 4.80 0.11 -1.81 0.59 132.00 136.10 2vml h PRO 104 Ca 0.38 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 2vml h PRO 104 Cb 0.63 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2vml h PRO 104 CO -0.91 0.49 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.27 2vml h LEU 105 N 0.76 0.54 -0.36 2.35 3.38 -1.40 -2.14 115.31 118.45 2vml h LEU 105 Ca 0.29 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2vml h LEU 105 Cb 0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2vml h LEU 105 CO -0.15 0.74 0.15 0.44 0.09 0.00 0.00 178.44 179.71 2vml h ASP 106 N 0.33 0.18 1.08 -0.43 3.32 -0.62 0.39 116.42 120.68 2vml h ASP 106 Ca 0.08 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 2vml h ASP 106 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2vml h ASP 106 CO 0.02 0.14 -0.81 0.44 -1.72 0.00 0.00 179.24 177.31 2vml h ASP 107 N 0.31 0.00 0.00 6.45 5.19 -0.90 -0.95 116.42 126.52 2vml h ASP 107 Ca 0.16 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.38 2vml h ASP 107 Cb 0.11 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.59 2vml h ASP 107 CO -0.15 0.81 -1.78 -1.22 -3.12 0.00 0.00 179.24 173.79 2vml n TYR 108 N -3.37 0.00 -0.04 4.55 4.01 -0.81 -4.67 117.16 116.84 2vml n TYR 108 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 2vml n TYR 108 Cb 0.84 -0.55 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 2vml n TYR 108 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2vml n ILE 109 N -2.39 0.95 -0.13 -0.72 5.41 -0.42 -4.85 119.36 117.20 2vml n ILE 109 Ca -0.18 0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.48 2vml n ILE 109 Cb 0.83 -1.77 -0.02 0.00 -0.71 0.00 0.00 39.64 37.98 2vml n ILE 109 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2vml h VAL 110 N -0.42 1.27 -2.76 1.39 2.07 -1.00 -3.31 116.25 113.49 2vml h VAL 110 Ca -0.17 -1.48 -0.56 0.00 0.82 0.00 0.00 66.70 65.31 2vml h VAL 110 Cb 0.90 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2vml h VAL 110 CO -0.10 0.50 1.03 0.00 0.02 0.00 0.00 177.57 179.02 2vml s ALA 111 N -4.49 3.56 0.00 1.67 0.00 -0.36 -2.25 121.76 119.88 2vml s ALA 111 Ca -0.11 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2vml s ALA 111 Cb 0.11 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2vml s ALA 111 CO 0.87 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2vml n GLY 112 N 4.07 0.78 0.19 0.00 0.00 -1.26 -4.87 105.19 104.10 2vml n GLY 112 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2vml n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2vml h LEU 113 N 0.00 -0.45 -0.35 0.99 5.85 -1.54 -1.40 115.31 118.41 2vml h LEU 113 Ca 0.00 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 2vml h LEU 113 Cb 0.00 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2vml h LEU 113 CO 0.00 -0.20 -0.29 0.03 -0.34 0.00 0.00 178.44 177.64 2vml h ARG 114 N -0.20 0.81 -0.49 1.25 3.08 -1.92 -1.25 114.38 115.67 2vml h ARG 114 Ca 0.08 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2vml h ARG 114 Cb 0.32 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2vml h ARG 114 CO -0.22 1.04 0.27 1.49 -1.07 0.00 0.00 179.97 181.48 2vml h GLU 115 N 0.60 0.69 0.16 0.04 4.81 -1.95 -0.08 114.58 118.86 2vml h GLU 115 Ca 0.06 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2vml h GLU 115 Cb 0.87 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2vml h GLU 115 CO 0.08 0.54 -0.08 0.28 -0.73 0.00 0.00 179.01 179.10 2vml h VAL 116 N 0.65 0.93 -0.40 0.32 2.07 -1.23 -2.63 116.25 115.96 2vml h VAL 116 Ca 0.17 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2vml h VAL 116 Cb 0.05 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2vml h VAL 116 CO -0.03 0.10 0.25 0.78 0.02 0.00 0.00 177.57 178.69 2vml h ASN 117 N -0.42 0.46 -0.20 0.57 2.35 -1.16 -1.86 115.58 115.33 2vml h ASN 117 Ca -0.02 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 2vml h ASN 117 Cb 0.33 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2vml h ASN 117 CO 0.04 0.34 -0.17 -0.09 -1.65 0.00 0.00 177.43 175.90 2vml h ARG 118 N 0.54 0.47 -0.62 0.81 2.43 -0.99 0.20 114.38 117.22 2vml h ARG 118 Ca 0.15 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 2vml h ARG 118 Cb -0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2vml h ARG 118 CO -0.03 0.80 0.11 1.15 -1.51 0.00 0.00 179.97 180.49 2vml h THR 119 N 0.15 1.26 -0.46 0.20 2.02 -1.20 -3.06 112.91 111.81 2vml h THR 119 Ca 0.04 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2vml h THR 119 Cb 0.70 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2vml h THR 119 CO 0.04 0.37 0.00 0.49 0.37 0.00 0.00 175.52 176.79 2vml n PHE 120 N -4.28 0.61 -3.65 3.16 3.72 -0.72 -4.95 117.46 111.34 2vml n PHE 120 Ca 0.03 -0.30 -0.23 0.00 -0.05 0.00 0.00 57.45 56.90 2vml n PHE 120 Cb 0.28 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.88 2vml n PHE 120 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2vml n ASN 121 N 1.06 -3.67 -4.60 4.37 3.02 -0.36 -4.98 115.26 110.10 2vml n ASN 121 Ca 0.18 -0.68 -0.38 0.00 -0.03 0.00 0.00 54.58 53.67 2vml n ASN 121 Cb 0.47 -4.58 -0.10 0.00 -0.61 0.00 0.00 39.78 34.96 2vml n ASN 121 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2vml s LEU 122 N -6.91 4.03 -0.01 3.41 1.43 0.55 -5.03 118.68 116.15 2vml s LEU 122 Ca 0.31 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 2vml s LEU 122 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 2vml s LEU 122 CO 0.77 -0.11 1.26 -0.44 0.23 0.00 0.00 176.35 178.06 2vml s SER 123 N 1.66 7.00 0.53 2.29 0.01 -1.26 -4.62 113.70 119.30 2vml s SER 123 Ca 0.11 1.96 0.21 0.00 1.31 0.00 0.00 55.95 59.54 2vml s SER 123 Cb -0.16 -2.56 1.36 0.00 0.21 0.00 0.00 66.02 64.86 2vml s SER 123 CO 0.10 -0.59 2.07 1.55 0.41 0.00 0.00 173.24 176.78 2vml h PRO 124 N 7.37 0.00 -0.90 12.44 0.13 -1.96 -2.78 132.00 146.30 2vml h PRO 124 Ca -0.37 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.79 2vml h PRO 124 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2vml h PRO 124 CO 0.87 0.00 0.59 0.66 -0.23 0.00 0.00 178.00 179.89 2vml h SER 125 N 0.00 0.97 -0.25 1.44 4.64 -1.91 0.19 113.55 118.62 2vml h SER 125 Ca 0.13 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2vml h SER 125 Cb 0.55 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 2vml h SER 125 CO -0.00 0.66 0.08 -0.50 -0.87 0.00 0.00 176.83 176.21 2vml h TRP 126 N 1.12 0.15 -0.30 4.77 6.55 -1.90 -1.18 115.95 125.16 2vml h TRP 126 Ca 0.36 0.01 -0.14 0.00 0.95 0.00 0.00 58.89 60.07 2vml h TRP 126 Cb 0.03 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 2vml h TRP 126 CO -0.00 0.07 -0.37 1.88 -1.05 0.00 0.00 178.44 178.97 2vml h TYR 127 N 0.20 0.83 -0.29 0.49 0.05 -1.53 -1.30 116.97 115.42 2vml h TYR 127 Ca 0.11 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2vml h TYR 127 Cb 0.08 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 2vml h TYR 127 CO -0.13 0.97 0.19 0.82 -1.05 0.00 0.00 178.16 178.96 2vml h ILE 128 N 0.58 1.07 -0.73 -2.88 2.04 -0.79 -0.82 117.51 115.97 2vml h ILE 128 Ca 0.05 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2vml h ILE 128 Cb 0.90 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2vml h ILE 128 CO 0.08 0.07 0.22 -0.08 0.00 0.00 0.00 178.15 178.44 2vml h GLU 129 N 0.39 1.15 -0.54 2.37 4.57 -1.07 0.43 114.58 121.88 2vml h GLU 129 Ca 0.11 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2vml h GLU 129 Cb -0.04 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 2vml h GLU 129 CO -0.03 0.98 0.35 0.00 -1.18 0.00 0.00 179.01 179.14 2vml h ALA 130 N 1.11 0.68 -0.25 2.92 0.00 -1.03 -2.25 119.26 120.44 2vml h ALA 130 Ca 0.24 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2vml h ALA 130 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2vml h ALA 130 CO -0.01 0.11 -0.46 -0.07 0.00 0.00 0.00 179.25 178.82 2vml h LEU 131 N 0.71 0.71 -0.75 0.00 3.38 -0.71 -2.06 115.31 116.60 2vml h LEU 131 Ca 0.20 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2vml h LEU 131 Cb -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2vml h LEU 131 CO -0.05 1.06 0.38 0.11 0.09 0.00 0.00 178.44 180.03 2vml h LYS 132 N 0.52 1.06 -0.39 1.13 1.57 -0.83 -1.28 116.57 118.35 2vml h LYS 132 Ca 0.03 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2vml h LYS 132 Cb 1.00 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2vml h LYS 132 CO 0.09 0.81 0.21 1.25 -0.57 0.00 0.00 179.45 181.24 2vml h HIS 133 N 1.04 0.54 -0.71 -1.35 2.76 -1.29 -1.41 115.15 114.73 2vml h HIS 133 Ca 0.26 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 2vml h HIS 133 Cb 0.08 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 2vml h HIS 133 CO 0.00 0.42 0.44 0.82 -1.30 0.00 0.00 177.93 178.31 2vml h ILE 134 N 0.50 1.09 -0.59 6.26 2.04 -1.30 -2.06 117.51 123.45 2vml h ILE 134 Ca 0.14 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2vml h ILE 134 Cb 0.06 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2vml h ILE 134 CO -0.02 0.16 0.37 0.50 0.00 0.00 0.00 178.15 179.16 2vml h LYS 135 N 0.86 0.73 -0.80 2.37 3.64 -1.04 0.74 116.57 123.06 2vml h LYS 135 Ca 0.29 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2vml h LYS 135 Cb 0.03 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 2vml h LYS 135 CO -0.11 0.48 0.49 0.78 -2.27 0.00 0.00 179.45 178.81 2vml h GLY 136 N 0.75 1.20 1.43 5.01 0.00 -1.05 -2.61 103.07 107.80 2vml h GLY 136 Ca 0.23 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.99 2vml h GLY 136 CO -0.08 0.24 -0.89 0.50 0.00 0.00 0.00 176.54 176.31 2vml h LYS 137 N 0.89 0.53 -0.05 4.80 1.79 -0.79 -3.04 116.57 120.69 2vml h LYS 137 Ca 0.35 -0.51 -0.06 0.00 -2.18 0.00 0.00 60.65 58.25 2vml h LYS 137 Cb 0.17 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2vml h LYS 137 CO -0.17 1.14 -0.23 0.28 -1.08 0.00 0.00 179.45 179.39 2vml h VAL 138 N 0.32 1.19 0.00 0.50 2.07 -0.85 -2.93 116.25 116.56 2vml h VAL 138 Ca -0.07 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2vml h VAL 138 Cb 1.51 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2vml h VAL 138 CO 0.16 0.26 0.00 1.23 0.02 0.00 0.00 177.57 179.25 2vml h GLY 139 N 0.79 0.00 -0.86 2.17 0.00 -1.34 -1.23 103.07 102.61 2vml h GLY 139 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2vml h GLY 139 CO 0.03 0.00 -0.51 1.44 0.00 0.00 0.00 176.54 177.50 2vml n SER 140 N -3.00 1.86 -0.08 0.19 7.64 -1.11 -4.51 113.62 114.62 2vml n SER 140 Ca -0.03 -1.43 -0.09 0.00 1.01 0.00 0.00 58.87 58.33 2vml n SER 140 Cb 0.07 0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 63.68 2vml n SER 140 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2vml n GLN 141 N -0.19 1.22 -4.41 1.43 -0.06 -0.54 -5.00 117.38 109.83 2vml n GLN 141 Ca 0.08 0.01 -0.24 0.00 -2.00 0.00 0.00 57.00 54.84 2vml n GLN 141 Cb 0.43 -1.42 -0.11 0.00 -4.06 0.00 0.00 30.24 25.08 2vml n GLN 141 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2vml s LEU 142 N -5.32 2.48 0.32 1.69 1.43 -0.75 -5.09 118.68 113.44 2vml s LEU 142 Ca -0.10 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 2vml s LEU 142 Cb 0.05 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2vml s LEU 142 CO 0.66 0.04 0.33 -0.94 0.23 0.00 0.00 176.35 176.67 2vml s SER 143 N -2.94 1.29 0.98 2.29 1.04 -1.26 -4.70 113.70 110.40 2vml s SER 143 Ca 0.22 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2vml s SER 143 Cb -0.06 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2vml s SER 143 CO 0.10 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2vml n GLY 144 N -0.57 2.45 0.17 7.32 0.00 -1.26 -2.60 105.19 110.70 2vml n GLY 144 Ca 0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 2vml n GLY 144 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vml h GLN 145 N 0.00 0.31 -0.71 1.61 1.08 -1.99 -1.98 115.11 113.43 2vml h GLN 145 Ca 0.00 -0.23 0.14 0.00 -1.45 0.00 0.00 58.65 57.12 2vml h GLN 145 Cb 0.00 0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.37 2vml h GLN 145 CO 0.00 0.85 0.21 -1.35 -0.95 0.00 0.00 178.83 177.59 2vml h PRO 146 N 0.23 0.32 -0.27 1.46 0.11 -1.73 -0.98 132.00 131.13 2vml h PRO 146 Ca -0.01 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.09 2vml h PRO 146 Cb 1.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2vml h PRO 146 CO 0.10 0.21 0.15 1.25 -0.21 0.00 0.00 178.00 179.51 2vml h LEU 147 N 0.33 0.23 -0.88 2.35 5.85 -1.21 -1.34 115.31 120.64 2vml h LEU 147 Ca 0.39 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.17 2vml h LEU 147 Cb 0.63 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 2vml h LEU 147 CO -0.45 0.17 0.56 0.74 -0.34 0.00 0.00 178.44 179.12 2vml h THR 148 N 0.31 1.09 -0.03 1.05 2.02 -1.10 0.82 112.91 117.07 2vml h THR 148 Ca 0.11 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2vml h THR 148 Cb 0.01 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2vml h THR 148 CO -0.06 0.19 0.01 -0.33 0.37 0.00 0.00 175.52 175.70 2vml h GLU 149 N 1.04 0.04 -0.09 6.66 4.39 -1.02 -2.10 114.58 123.49 2vml h GLU 149 Ca 0.37 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.07 2vml h GLU 149 Cb 0.10 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2vml h GLU 149 CO -0.15 0.15 0.02 0.00 -1.16 0.00 0.00 179.01 177.87 2vml h ALA 150 N 0.88 0.09 -0.74 3.43 0.00 -0.79 -2.90 119.26 119.23 2vml h ALA 150 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 150 Cb 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2vml h ALA 150 CO -0.00 -0.45 0.48 -0.91 0.00 0.00 0.00 179.25 178.38 2vml h ASN 151 N 0.06 0.86 -0.23 0.00 2.35 -0.85 -1.88 115.58 115.88 2vml h ASN 151 Ca 0.04 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2vml h ASN 151 Cb 0.03 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2vml h ASN 151 CO -0.05 0.63 0.13 0.00 -1.65 0.00 0.00 177.43 176.48 2vml h ALA 152 N 1.53 0.28 -0.01 -0.83 0.00 -1.18 0.44 119.26 119.49 2vml h ALA 152 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 2vml h ALA 152 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2vml h ALA 152 CO -0.06 -0.28 -0.82 1.88 0.00 0.00 0.00 179.25 179.98 2vml h TYR 153 N 0.26 0.24 -0.34 0.00 0.05 -1.36 -0.56 116.97 115.26 2vml h TYR 153 Ca 0.09 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2vml h TYR 153 Cb 0.01 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2vml h TYR 153 CO -0.08 0.91 -0.01 0.82 -1.05 0.00 0.00 178.16 178.74 2vml h ILE 154 N 0.10 1.26 -0.29 -2.88 2.04 -1.24 -2.89 117.51 113.61 2vml h ILE 154 Ca -0.03 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 2vml h ILE 154 Cb 1.42 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 2vml h ILE 154 CO 0.12 0.33 -0.12 0.44 0.00 0.00 0.00 178.15 178.92 2vml h ASP 155 N 0.41 0.47 -0.67 1.72 3.32 -0.87 -2.42 116.42 118.39 2vml h ASP 155 Ca 0.09 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.08 2vml h ASP 155 Cb 0.47 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 2vml h ASP 155 CO 0.02 0.62 0.39 0.22 -1.72 0.00 0.00 179.24 178.77 2vml h TYR 156 N 0.45 0.71 -0.18 4.55 3.20 -0.99 -0.40 116.97 124.32 2vml h TYR 156 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2vml h TYR 156 Cb 0.48 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2vml h TYR 156 CO 0.02 0.36 0.02 0.00 -1.64 0.00 0.00 178.16 176.92 2vml h ILE 158 N 0.08 0.92 -0.63 0.00 2.04 -1.13 -1.17 117.51 117.62 2vml h ILE 158 Ca 0.05 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 2vml h ILE 158 Cb 0.33 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2vml h ILE 158 CO 0.00 0.12 0.03 0.78 0.00 0.00 0.00 178.15 179.09 2vml h ASN 159 N 0.65 1.06 0.28 1.72 2.35 -0.99 -2.68 115.58 117.97 2vml h ASN 159 Ca 0.32 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2vml h ASN 159 Cb 0.26 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2vml h ASN 159 CO -0.22 1.09 -0.15 0.00 -1.65 0.00 0.00 177.43 176.51 2vml h ALA 160 N 1.02 1.45 -0.00 -0.83 0.00 -0.70 -2.50 119.26 117.70 2vml h ALA 160 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2vml h ALA 160 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2vml h ALA 160 CO 0.03 0.18 -0.29 1.28 0.00 0.00 0.00 179.25 180.45 2vml n LEU 161 N -3.92 0.48 -0.93 0.00 4.77 -0.49 -4.99 117.00 111.91 2vml n LEU 161 Ca -0.02 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 2vml n LEU 161 Cb 0.24 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2vml n LEU 161 CO 0.33 0.10 0.62 -1.20 -1.33 0.00 0.00 177.39 175.91