#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myg s LEU 2 N 0.00 4.01 1.02 0.99 1.02 -1.26 -5.12 118.68 119.34 1myg s LEU 2 Ca 0.00 0.03 -0.16 0.00 0.02 0.00 0.00 54.13 54.02 1myg s LEU 2 Cb 0.00 -2.63 0.21 0.00 0.02 0.00 0.00 46.19 43.79 1myg s LEU 2 CO 0.00 0.11 1.23 -0.94 0.02 0.00 0.00 176.35 176.76 1myg s SER 3 N -2.87 2.62 0.31 2.29 1.04 -1.26 -4.79 113.70 111.04 1myg s SER 3 Ca 0.32 0.51 0.03 0.00 0.48 0.00 0.00 55.95 57.29 1myg s SER 3 Cb -0.11 -0.71 0.51 0.00 0.10 0.00 0.00 66.02 65.81 1myg s SER 3 CO 0.25 -3.06 1.81 0.44 0.98 0.00 0.00 173.24 173.66 1myg h ASP 4 N -1.86 0.51 -0.68 7.02 3.32 -2.00 -1.29 116.42 121.44 1myg h ASP 4 Ca -0.46 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.43 1myg h ASP 4 Cb 1.27 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1myg h ASP 4 CO 0.42 0.65 0.28 1.23 -1.72 0.00 0.00 179.24 180.10 1myg h GLY 5 N 0.91 1.09 0.89 2.75 0.00 -2.00 -1.72 103.07 104.99 1myg h GLY 5 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1myg h GLY 5 CO 0.03 0.55 -0.12 0.83 0.00 0.00 0.00 176.54 177.83 1myg h GLU 6 N 0.97 -0.32 -0.98 4.80 5.08 -1.80 -2.55 114.58 119.79 1myg h GLU 6 Ca 0.23 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.73 1myg h GLU 6 Cb 0.19 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 1myg h GLU 6 CO -0.02 -0.12 0.61 -1.49 -1.00 0.00 0.00 179.01 176.99 1myg h TRP 7 N -0.45 1.11 -0.10 4.33 -0.00 -1.13 -1.81 115.95 117.90 1myg h TRP 7 Ca -0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1myg h TRP 7 Cb 0.34 -0.35 -0.00 0.00 -0.00 0.00 0.00 29.16 29.14 1myg h TRP 7 CO -0.03 0.43 0.05 0.37 -0.00 0.00 0.00 178.44 179.26 1myg h GLN 8 N 0.96 0.15 -0.58 0.49 5.75 -1.14 -1.40 115.11 119.34 1myg h GLN 8 Ca 0.49 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 1myg h GLN 8 Cb 0.49 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1myg h GLN 8 CO -0.27 0.23 0.37 -0.07 -2.65 0.00 0.00 178.83 176.44 1myg h LEU 9 N 0.04 0.67 0.40 -2.39 3.38 -0.99 -1.31 115.31 115.12 1myg h LEU 9 Ca 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1myg h LEU 9 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1myg h LEU 9 CO -0.00 0.50 -0.33 0.58 0.09 0.00 0.00 178.44 179.28 1myg h VAL 10 N 0.78 0.32 -0.06 1.22 2.07 -1.23 -2.16 116.25 117.19 1myg h VAL 10 Ca 0.21 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 1myg h VAL 10 Cb -0.07 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1myg h VAL 10 CO -0.04 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.36 1myg h LEU 11 N -0.73 0.07 0.11 2.57 3.38 -1.13 -0.33 115.31 119.25 1myg h LEU 11 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1myg h LEU 11 Cb 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1myg h LEU 11 CO -0.02 0.20 -0.05 0.78 0.09 0.00 0.00 178.44 179.44 1myg h ASN 12 N 0.08 -0.13 0.02 -0.43 4.21 -1.10 -1.72 115.58 116.51 1myg h ASN 12 Ca 0.02 -0.21 -0.13 0.00 1.21 0.00 0.00 56.30 57.18 1myg h ASN 12 Cb 0.26 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1myg h ASN 12 CO 0.02 0.15 -0.41 -0.37 -1.29 0.00 0.00 177.43 175.52 1myg h VAL 13 N -0.40 1.30 -0.30 2.81 -1.51 -1.02 -2.93 116.25 114.19 1myg h VAL 13 Ca -0.02 -1.57 0.05 0.00 -1.23 0.00 0.00 66.70 63.94 1myg h VAL 13 Cb 0.33 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.06 1myg h VAL 13 CO 0.02 0.49 0.21 -0.25 -1.23 0.00 0.00 177.57 176.81 1myg h TRP 14 N 0.41 0.17 -0.72 5.19 2.91 -0.93 -2.02 115.95 120.97 1myg h TRP 14 Ca 0.03 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.15 1myg h TRP 14 Cb 0.89 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.44 1myg h TRP 14 CO 0.03 0.10 0.47 0.78 -1.03 0.00 0.00 178.44 178.79 1myg h GLY 15 N 0.18 0.89 1.33 2.65 0.00 -1.12 -0.83 103.07 106.17 1myg h GLY 15 Ca 0.14 -0.27 -0.26 0.00 0.00 0.00 0.00 47.33 46.94 1myg h GLY 15 CO -0.02 0.17 -1.03 0.50 0.00 0.00 0.00 176.54 176.16 1myg h LYS 16 N 0.65 0.60 -0.34 4.80 1.79 -1.50 -2.84 116.57 119.73 1myg h LYS 16 Ca 0.32 -0.66 -0.09 0.00 -2.18 0.00 0.00 60.65 58.05 1myg h LYS 16 Cb 0.41 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1myg h LYS 16 CO -0.11 1.26 -0.16 0.28 -1.08 0.00 0.00 179.45 179.64 1myg h VAL 17 N 0.33 1.25 0.00 0.50 2.07 -1.22 -2.93 116.25 116.25 1myg h VAL 17 Ca -0.12 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1myg h VAL 17 Cb 1.68 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1myg h VAL 17 CO 0.19 0.38 0.00 -0.33 0.02 0.00 0.00 177.57 177.84 1myg h GLU 18 N 0.55 0.00 0.00 1.57 5.08 -0.97 -0.39 114.58 120.42 1myg h GLU 18 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1myg h GLU 18 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1myg h GLU 18 CO 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1myg n ALA 19 N -1.97 2.35 -2.73 3.43 0.00 -1.11 -4.33 120.51 116.16 1myg n ALA 19 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1myg n ALA 19 Cb 0.19 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.26 1myg n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1myg n ASP 20 N -1.33 -2.51 0.20 0.00 2.03 -0.24 -5.05 116.55 109.64 1myg n ASP 20 Ca 0.12 -3.22 -0.14 0.00 0.52 0.00 0.00 54.79 52.06 1myg n ASP 20 Cb 0.24 1.73 -0.08 0.00 -0.72 0.00 0.00 41.12 42.30 1myg n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myg h VAL 21 N 2.72 0.63 -0.81 5.18 2.07 -1.51 -2.58 116.25 121.95 1myg h VAL 21 Ca -0.15 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1myg h VAL 21 Cb 1.08 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1myg h VAL 21 CO 0.21 0.07 0.54 0.00 0.02 0.00 0.00 177.57 178.40 1myg h ALA 22 N -0.15 1.49 0.30 1.67 0.00 -1.89 -0.02 119.26 120.66 1myg h ALA 22 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1myg h ALA 22 Cb 0.49 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1myg h ALA 22 CO 0.08 0.44 -0.34 0.78 0.00 0.00 0.00 179.25 180.21 1myg h GLY 23 N 1.02 -0.77 1.51 0.00 0.00 -1.91 -0.82 103.07 102.10 1myg h GLY 23 Ca 0.32 0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.93 1myg h GLY 23 CO -0.09 -0.28 -0.31 0.45 0.00 0.00 0.00 176.54 176.31 1myg h HIS 24 N -0.69 0.64 -0.43 5.60 3.86 -1.27 -3.00 115.15 119.86 1myg h HIS 24 Ca -0.01 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 58.99 1myg h HIS 24 Cb 0.63 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 1myg h HIS 24 CO -0.22 0.81 0.07 0.78 0.86 0.00 0.00 177.93 180.23 1myg h GLY 25 N 1.03 0.77 0.99 2.45 0.00 -0.69 -1.21 103.07 106.41 1myg h GLY 25 Ca 0.06 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1myg h GLY 25 CO 0.06 0.48 -0.02 -1.61 0.00 0.00 0.00 176.54 175.45 1myg h GLN 26 N 0.58 -0.04 -0.41 4.80 4.15 -1.20 -1.09 115.11 121.89 1myg h GLN 26 Ca 0.13 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1myg h GLN 26 Cb 0.38 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1myg h GLN 26 CO 0.01 -0.03 -0.01 0.93 -1.93 0.00 0.00 178.83 177.80 1myg h GLU 27 N -0.04 0.67 -0.35 1.69 5.08 -1.38 -0.71 114.58 119.53 1myg h GLU 27 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1myg h GLU 27 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1myg h GLU 27 CO 0.00 0.70 0.22 0.28 -1.00 0.00 0.00 179.01 179.21 1myg h VAL 28 N 0.63 1.10 -0.29 3.13 2.07 -0.84 -1.64 116.25 120.42 1myg h VAL 28 Ca 0.13 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 1myg h VAL 28 Cb 0.41 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1myg h VAL 28 CO 0.02 0.10 -0.32 -0.07 0.02 0.00 0.00 177.57 177.32 1myg h LEU 29 N 0.47 0.63 -0.42 2.57 3.38 -0.80 -1.06 115.31 120.07 1myg h LEU 29 Ca 0.13 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1myg h LEU 29 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1myg h LEU 29 CO -0.03 0.90 0.27 0.40 0.09 0.00 0.00 178.44 180.07 1myg h ILE 30 N 0.52 1.09 -0.17 1.22 2.04 -0.88 -1.04 117.51 120.27 1myg h ILE 30 Ca 0.06 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1myg h ILE 30 Cb 0.80 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1myg h ILE 30 CO 0.07 0.10 -0.03 0.03 0.00 0.00 0.00 178.15 178.31 1myg h ARG 31 N 0.54 0.01 -0.25 2.37 2.47 -1.18 0.25 114.38 118.60 1myg h ARG 31 Ca 0.16 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1myg h ARG 31 Cb -0.04 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1myg h ARG 31 CO -0.05 0.01 0.12 1.25 0.56 0.00 0.00 179.97 181.86 1myg h LEU 32 N 0.01 0.18 -0.39 3.04 5.85 -0.91 -0.86 115.31 122.23 1myg h LEU 32 Ca 0.08 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.63 1myg h LEU 32 Cb 0.12 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1myg h LEU 32 CO -0.17 0.14 -0.75 -0.26 -0.34 0.00 0.00 178.44 177.05 1myg h PHE 33 N 0.26 0.53 -0.14 1.25 0.04 -0.79 -1.15 116.94 116.93 1myg h PHE 33 Ca 0.10 -0.24 -0.17 0.00 2.80 0.00 0.00 57.97 60.47 1myg h PHE 33 Cb 0.03 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.11 1myg h PHE 33 CO -0.10 1.00 -0.56 0.87 -0.60 0.00 0.00 178.31 178.92 1myg h LYS 34 N 0.26 0.62 0.03 1.51 6.56 -0.50 -3.16 116.57 121.89 1myg h LYS 34 Ca -0.03 -0.49 -0.21 0.00 -1.06 0.00 0.00 60.65 58.86 1myg h LYS 34 Cb 1.33 0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 33.06 1myg h LYS 34 CO 0.13 1.11 -0.99 0.78 -2.06 0.00 0.00 179.45 178.41 1myg h GLY 35 N 0.28 0.11 -6.16 3.86 0.00 -1.00 -3.41 103.07 96.75 1myg h GLY 35 Ca -0.03 -0.24 -0.53 0.00 0.00 0.00 0.00 47.33 46.53 1myg h GLY 35 CO 0.12 0.21 -0.93 1.42 0.00 0.00 0.00 176.54 177.36 1myg n HIS 36 N -3.49 -1.28 0.28 5.60 8.25 -0.45 -5.03 115.22 119.09 1myg n HIS 36 Ca -0.03 -3.07 0.17 0.00 -0.26 0.00 0.00 57.72 54.54 1myg n HIS 36 Cb 0.90 0.39 0.94 0.00 1.12 0.00 0.00 29.99 33.34 1myg n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myg h PRO 37 N 5.42 0.00 0.00 -0.41 0.11 -1.75 0.14 132.00 135.51 1myg h PRO 37 Ca 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1myg h PRO 37 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1myg h PRO 37 CO 0.33 0.00 -0.01 1.05 -0.21 0.00 0.00 178.00 179.16 1myg h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 0.40 114.58 123.20 1myg h GLU 38 Ca 0.03 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.40 1myg h GLU 38 Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 1myg h GLU 38 CO -0.00 0.01 -0.19 1.79 0.05 0.00 0.00 179.01 180.67 1myg h THR 39 N 0.00 0.36 0.00 -1.06 1.35 -1.05 -3.06 112.91 109.45 1myg h THR 39 Ca -0.00 -1.29 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 1myg h THR 39 Cb 0.22 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1myg h THR 39 CO 0.00 0.18 -0.14 0.25 -0.25 0.00 0.00 175.52 175.57 1myg h LEU 40 N 0.00 0.00 -2.04 3.87 5.85 -1.05 -2.40 115.31 119.54 1myg h LEU 40 Ca -0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1myg h LEU 40 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1myg h LEU 40 CO 0.02 0.14 0.11 -0.33 -0.34 0.00 0.00 178.44 178.04 1myg h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.64 -2.46 114.58 116.12 1myg h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1myg h GLU 41 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1myg h GLU 41 CO 0.02 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.74 1myg h LYS 42 N 0.00 0.00 -4.31 2.33 1.79 -1.61 -3.42 116.57 111.36 1myg h LYS 42 Ca 0.07 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.81 1myg h LYS 42 Cb 0.29 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.66 1myg h LYS 42 CO -0.00 0.00 -0.38 -0.06 -1.08 0.00 0.00 179.45 177.93 1myg s PHE 43 N -3.37 3.36 0.10 -1.35 0.40 -0.92 -4.96 117.98 111.24 1myg s PHE 43 Ca 0.05 -1.61 -0.31 0.00 -0.60 0.00 0.00 56.93 54.45 1myg s PHE 43 Cb 0.09 -3.37 -0.12 0.00 0.51 0.00 0.00 43.02 40.13 1myg s PHE 43 CO 0.50 -0.94 1.60 -0.44 0.70 0.00 0.00 175.22 176.63 1myg h ASP 44 N 8.53 -1.14 -0.16 1.36 5.19 -1.84 0.23 116.42 128.60 1myg h ASP 44 Ca -0.24 0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.33 1myg h ASP 44 Cb 1.08 0.41 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 1myg h ASP 44 CO 0.86 -0.51 0.80 0.11 -3.12 0.00 0.00 179.24 177.39 1myg h LYS 45 N -0.71 0.00 0.00 3.56 1.57 -1.95 -1.77 116.57 117.27 1myg h LYS 45 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1myg h LYS 45 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1myg h LYS 45 CO -0.16 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.91 1myg n PHE 46 N -2.78 0.00 0.23 -1.35 3.72 -0.02 -4.82 117.46 112.44 1myg n PHE 46 Ca 0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.45 1myg n PHE 46 Cb 0.87 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.53 1myg n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1myg n LYS 47 N -0.19 0.06 0.00 -1.08 2.85 0.60 -1.69 118.16 118.71 1myg n LYS 47 Ca 0.00 0.26 0.13 0.00 -1.05 0.00 0.00 58.31 57.64 1myg n LYS 47 Cb 0.07 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.29 1myg n LYS 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1myg n HIS 48 N -1.31 0.00 -2.68 5.58 8.25 -1.26 -4.85 115.22 118.96 1myg n HIS 48 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 1myg n HIS 48 Cb 0.04 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1myg n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1myg s LEU 49 N -2.30 4.15 0.00 2.41 1.43 -0.68 -4.91 118.68 118.78 1myg s LEU 49 Ca 0.28 1.42 0.23 0.00 -1.03 0.00 0.00 54.13 55.03 1myg s LEU 49 Cb 0.20 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 43.01 1myg s LEU 49 CO 0.45 -0.58 1.17 0.29 0.23 0.00 0.00 176.35 177.91 1myg n LYS 50 N 5.84 1.91 -3.86 1.70 4.76 -1.26 -4.97 118.16 122.28 1myg n LYS 50 Ca 0.11 -1.60 -0.08 0.00 -2.87 0.00 0.00 58.31 53.87 1myg n LYS 50 Cb 0.47 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.21 1myg n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1myg s SER 51 N -2.06 -0.16 0.34 4.39 1.04 -1.26 -4.99 113.70 111.00 1myg s SER 51 Ca 0.24 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 55.97 1myg s SER 51 Cb 0.19 0.75 0.61 0.00 0.10 0.00 0.00 66.02 67.67 1myg s SER 51 CO 0.37 -1.43 1.80 -0.08 0.98 0.00 0.00 173.24 174.88 1myg h GLU 52 N 2.02 0.23 -0.43 4.02 4.81 -1.99 -2.46 114.58 120.77 1myg h GLU 52 Ca -0.23 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1myg h GLU 52 Cb 1.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1myg h GLU 52 CO 0.29 0.50 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.57 1myg h ASP 53 N 0.21 0.71 -0.24 1.04 3.32 -1.98 -1.35 116.42 118.13 1myg h ASP 53 Ca 0.03 -0.19 -0.18 0.00 0.02 0.00 0.00 57.03 56.72 1myg h ASP 53 Cb 0.61 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1myg h ASP 53 CO 0.04 0.82 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.54 1myg h GLU 54 N 0.68 0.82 -0.48 3.56 5.08 -1.87 -2.42 114.58 119.96 1myg h GLU 54 Ca 0.13 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1myg h GLU 54 Cb 0.50 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1myg h GLU 54 CO 0.03 1.14 0.28 0.52 -1.00 0.00 0.00 179.01 179.98 1myg h MET 55 N 0.64 0.55 -0.16 2.33 2.86 -1.16 -2.36 114.93 117.63 1myg h MET 55 Ca 0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1myg h MET 55 Cb 1.11 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1myg h MET 55 CO 0.11 0.37 -0.01 0.87 1.06 0.00 0.00 176.91 179.31 1myg h LYS 56 N 0.57 0.23 0.00 1.72 1.57 -1.29 -2.84 116.57 116.53 1myg h LYS 56 Ca 0.19 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 1myg h LYS 56 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1myg h LYS 56 CO -0.09 0.27 -0.73 0.00 -0.57 0.00 0.00 179.45 178.33 1myg h ALA 57 N 1.77 0.53 -2.02 3.86 0.00 -1.05 -3.46 119.26 118.89 1myg h ALA 57 Ca 0.05 -0.66 -0.57 0.00 0.00 0.00 0.00 54.91 53.73 1myg h ALA 57 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1myg h ALA 57 CO 0.00 0.91 1.30 0.45 0.00 0.00 0.00 179.25 181.92 1myg s SER 58 N -6.58 5.95 0.10 0.00 0.15 -0.92 -4.90 113.70 107.51 1myg s SER 58 Ca 0.03 1.77 -0.13 0.00 0.70 0.00 0.00 55.95 58.32 1myg s SER 58 Cb 0.09 -2.52 -0.15 0.00 -1.71 0.00 0.00 66.02 61.72 1myg s SER 58 CO 0.78 -1.58 1.32 -0.08 1.20 0.00 0.00 173.24 174.87 1myg h GLU 59 N 12.71 0.81 -0.04 5.44 4.81 -1.90 -2.84 114.58 133.57 1myg h GLU 59 Ca -0.38 -0.65 -0.13 0.00 -0.13 0.00 0.00 59.36 58.07 1myg h GLU 59 Cb 1.20 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1myg h GLU 59 CO 0.99 1.26 -0.56 -0.44 -0.73 0.00 0.00 179.01 179.52 1myg h ASP 60 N 0.56 0.14 -0.45 1.04 3.32 -1.97 -0.96 116.42 118.11 1myg h ASP 60 Ca -0.05 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1myg h ASP 60 Cb 1.39 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1myg h ASP 60 CO 0.16 0.67 0.08 0.25 -1.72 0.00 0.00 179.24 178.68 1myg h LEU 61 N 0.10 0.71 -0.29 1.55 6.46 -1.88 -1.69 115.31 120.27 1myg h LEU 61 Ca -0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1myg h LEU 61 Cb 1.02 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1myg h LEU 61 CO 0.08 0.78 0.19 0.50 -0.62 0.00 0.00 178.44 179.37 1myg h LYS 62 N 0.61 0.39 -0.66 1.25 3.64 -1.25 0.18 116.57 120.72 1myg h LYS 62 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1myg h LYS 62 Cb 0.37 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1myg h LYS 62 CO 0.01 0.27 0.33 0.87 -2.27 0.00 0.00 179.45 178.66 1myg h LYS 63 N 0.39 0.95 -0.46 1.90 1.57 -1.05 -2.09 116.57 117.77 1myg h LYS 63 Ca 0.11 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1myg h LYS 63 Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1myg h LYS 63 CO -0.02 0.74 -0.21 1.25 -0.57 0.00 0.00 179.45 180.64 1myg h HIS 64 N 0.92 1.07 -0.96 -1.35 2.76 -0.91 -1.43 115.15 115.25 1myg h HIS 64 Ca 0.23 -0.25 0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1myg h HIS 64 Cb 0.09 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 28.74 1myg h HIS 64 CO 0.00 1.05 0.62 0.78 -1.30 0.00 0.00 177.93 179.09 1myg h GLY 65 N 0.91 1.40 0.65 5.26 0.00 -0.27 -1.92 103.07 109.10 1myg h GLY 65 Ca 0.11 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1myg h GLY 65 CO 0.06 0.41 -0.11 -0.57 0.00 0.00 0.00 176.54 176.33 1myg h ASN 66 N 1.21 -0.32 -0.39 0.19 -0.73 -1.02 -1.82 115.58 112.70 1myg h ASN 66 Ca 0.38 0.06 0.07 0.00 1.87 0.00 0.00 56.30 58.68 1myg h ASN 66 Cb 0.00 0.15 -0.06 0.00 0.27 0.00 0.00 38.32 38.68 1myg h ASN 66 CO -0.12 -0.15 -0.01 0.74 -0.37 0.00 0.00 177.43 177.52 1myg h THR 67 N -0.15 0.70 0.44 -3.57 2.02 -0.81 0.60 112.91 112.14 1myg h THR 67 Ca 0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1myg h THR 67 Cb 0.24 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1myg h THR 67 CO -0.15 0.02 -0.21 0.58 0.37 0.00 0.00 175.52 176.12 1myg h VAL 68 N 0.10 0.57 0.00 3.16 2.07 -1.17 -1.61 116.25 119.36 1myg h VAL 68 Ca 0.19 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 1myg h VAL 68 Cb 0.27 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1myg h VAL 68 CO -0.33 0.03 -0.45 -0.07 0.02 0.00 0.00 177.57 176.77 1myg h LEU 69 N -0.67 0.00 -0.35 2.57 3.38 -1.18 -1.10 115.31 117.95 1myg h LEU 69 Ca -0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1myg h LEU 69 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1myg h LEU 69 CO 0.10 0.45 -0.48 0.74 0.09 0.00 0.00 178.44 179.35 1myg h THR 70 N 0.00 1.27 -0.49 0.22 2.02 -0.78 -1.00 112.91 114.15 1myg h THR 70 Ca -0.00 -1.66 -0.08 0.00 0.77 0.00 0.00 66.41 65.44 1myg h THR 70 Cb 1.02 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1myg h THR 70 CO 0.06 0.55 0.01 0.00 0.37 0.00 0.00 175.52 176.50 1myg h ALA 71 N 0.74 0.65 -0.25 6.16 0.00 -1.11 -2.71 119.26 122.73 1myg h ALA 71 Ca 0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1myg h ALA 71 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1myg h ALA 71 CO 0.11 0.45 -0.47 1.25 0.00 0.00 0.00 179.25 180.59 1myg h LEU 72 N 0.71 0.73 -0.86 0.00 5.85 -1.11 -2.79 115.31 117.83 1myg h LEU 72 Ca 0.14 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1myg h LEU 72 Cb 0.50 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1myg h LEU 72 CO 0.02 1.08 0.57 1.23 -0.34 0.00 0.00 178.44 181.00 1myg h GLY 73 N 0.96 1.21 1.17 3.75 0.00 -1.02 -0.92 103.07 108.23 1myg h GLY 73 Ca 0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1myg h GLY 73 CO 0.10 0.45 0.22 -1.33 0.00 0.00 0.00 176.54 175.97 1myg h GLY 74 N 1.17 1.12 0.62 4.60 0.00 -1.34 -1.31 103.07 107.93 1myg h GLY 74 Ca 0.32 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1myg h GLY 74 CO -0.07 0.60 -0.04 -2.22 0.00 0.00 0.00 176.54 174.81 1myg h ILE 75 N 1.01 1.35 -0.35 2.60 2.04 -1.06 -3.15 117.51 119.96 1myg h ILE 75 Ca 0.22 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1myg h ILE 75 Cb 0.27 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1myg h ILE 75 CO -0.01 0.31 0.22 -0.07 0.00 0.00 0.00 178.15 178.60 1myg h LEU 76 N -0.30 0.40 -0.92 1.44 3.38 -0.97 -1.88 115.31 116.47 1myg h LEU 76 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1myg h LEU 76 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1myg h LEU 76 CO 0.01 0.30 0.00 0.11 0.09 0.00 0.00 178.44 178.95 1myg h LYS 77 N 0.47 0.00 0.00 1.13 1.57 -1.20 -1.66 116.57 116.89 1myg h LYS 77 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1myg h LYS 77 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1myg h LYS 77 CO -0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.48 1myg n LYS 78 N -2.42 0.22 -3.80 3.15 4.76 -0.71 -4.97 118.16 114.40 1myg n LYS 78 Ca 0.02 0.21 -0.31 0.00 -2.87 0.00 0.00 58.31 55.36 1myg n LYS 78 Cb 0.23 -1.77 0.02 0.00 -1.84 0.00 0.00 35.03 31.67 1myg n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myg n LYS 79 N -2.17 -1.82 0.00 1.97 5.02 -0.62 -0.01 118.16 120.53 1myg n LYS 79 Ca 0.05 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1myg n LYS 79 Cb 0.40 -4.12 0.00 0.00 -0.02 0.00 0.00 35.03 31.29 1myg n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myg n GLY 80 N -1.81 2.84 2.78 0.72 0.00 -1.26 -4.92 105.19 103.54 1myg n GLY 80 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1myg n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myg n HIS 81 N -2.00 2.60 -1.13 1.61 8.25 0.99 -4.71 115.22 120.84 1myg n HIS 81 Ca 0.00 -2.68 0.08 0.00 -0.26 0.00 0.00 57.72 54.86 1myg n HIS 81 Cb 0.00 -1.56 0.19 0.00 1.12 0.00 0.00 29.99 29.75 1myg n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myg n HIS 82 N 1.85 0.43 -0.18 4.41 1.44 -1.26 -4.81 115.22 117.09 1myg n HIS 82 Ca 0.42 -1.06 -0.01 0.00 -2.01 0.00 0.00 57.72 55.06 1myg n HIS 82 Cb 0.31 -0.25 0.07 0.00 0.12 0.00 0.00 29.99 30.24 1myg n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1myg h GLU 83 N 0.80 0.09 -0.81 -1.40 4.57 -1.98 0.28 114.58 116.12 1myg h GLU 83 Ca 0.02 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1myg h GLU 83 Cb 1.22 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 1myg h GLU 83 CO 0.11 0.06 0.48 0.00 -1.18 0.00 0.00 179.01 178.48 1myg h ALA 84 N 1.50 1.04 -0.14 2.92 0.00 -2.01 0.34 119.26 122.92 1myg h ALA 84 Ca 0.28 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1myg h ALA 84 Cb 0.43 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1myg h ALA 84 CO -0.48 0.51 -0.68 0.93 0.00 0.00 0.00 179.25 179.53 1myg h GLU 85 N 1.12 0.56 -0.26 0.00 3.07 -1.67 -3.31 114.58 114.09 1myg h GLU 85 Ca 0.29 -0.42 -0.19 0.00 -0.50 0.00 0.00 59.36 58.54 1myg h GLU 85 Cb -0.02 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1myg h GLU 85 CO -0.05 1.04 -0.60 1.25 -1.40 0.00 0.00 179.01 179.25 1myg h LEU 86 N 0.40 0.96 -0.14 1.33 5.85 0.08 -3.37 115.31 120.42 1myg h LEU 86 Ca -0.02 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.21 1myg h LEU 86 Cb 1.26 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1myg h LEU 86 CO 0.13 1.34 -0.26 0.74 -0.34 0.00 0.00 178.44 180.05 1myg h THR 87 N 0.64 0.39 -0.74 1.05 2.02 -0.42 -1.42 112.91 114.43 1myg h THR 87 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1myg h THR 87 Cb 1.21 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1myg h THR 87 CO 0.13 0.00 0.49 -0.65 0.37 0.00 0.00 175.52 175.86 1myg h PRO 88 N -0.32 0.53 -0.34 6.66 0.11 -1.76 0.58 132.00 137.46 1myg h PRO 88 Ca 0.10 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 1myg h PRO 88 Cb 0.47 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1myg h PRO 88 CO -0.32 0.35 -0.14 1.25 -0.21 0.00 0.00 178.00 178.93 1myg h LEU 89 N 0.54 0.70 -0.25 2.35 5.85 -1.45 -1.75 115.31 121.30 1myg h LEU 89 Ca 0.35 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1myg h LEU 89 Cb 0.63 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1myg h LEU 89 CO -0.12 0.94 -0.10 0.00 -0.34 0.00 0.00 178.44 178.81 1myg h ALA 90 N 0.79 0.36 0.06 1.25 0.00 -0.87 -1.21 119.26 119.64 1myg h ALA 90 Ca 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1myg h ALA 90 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1myg h ALA 90 CO 0.04 0.20 -0.03 1.96 0.00 0.00 0.00 179.25 181.43 1myg h GLN 91 N 0.25 -0.08 -0.49 0.00 4.20 0.30 -1.73 115.11 117.56 1myg h GLN 91 Ca 0.06 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1myg h GLN 91 Cb 0.60 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1myg h GLN 91 CO 0.03 -0.05 0.00 0.66 -0.67 0.00 0.00 178.83 178.81 1myg h SER 92 N -0.08 0.79 0.28 1.46 4.64 -1.28 -1.90 113.55 117.46 1myg h SER 92 Ca -0.01 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 60.97 1myg h SER 92 Cb 0.06 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1myg h SER 92 CO 0.01 0.85 -0.57 0.45 -0.87 0.00 0.00 176.83 176.70 1myg h HIS 93 N 0.77 0.38 0.00 4.77 3.86 -1.16 0.25 115.15 124.01 1myg h HIS 93 Ca 0.15 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1myg h HIS 93 Cb 0.46 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 1myg h HIS 93 CO 0.02 0.80 -0.03 0.00 0.86 0.00 0.00 177.93 179.59 1myg h ALA 94 N 1.17 0.01 0.17 2.45 0.00 -1.28 0.20 119.26 121.97 1myg h ALA 94 Ca -0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 1myg h ALA 94 Cb 1.08 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1myg h ALA 94 CO 0.09 0.02 -1.67 1.79 0.00 0.00 0.00 179.25 179.48 1myg h THR 95 N -1.00 1.02 0.00 0.00 1.35 -1.41 -3.32 112.91 109.56 1myg h THR 95 Ca -0.01 -2.62 -0.19 0.00 -0.55 0.00 0.00 66.41 63.04 1myg h THR 95 Cb 0.92 2.77 -0.03 0.00 -1.73 0.00 0.00 68.15 70.08 1myg h THR 95 CO -0.01 0.84 -1.49 1.17 -0.25 0.00 0.00 175.52 175.79 1myg n LYS 96 N -3.55 0.54 0.04 4.72 4.81 -0.18 -4.59 118.16 119.95 1myg n LYS 96 Ca -0.22 0.33 0.12 0.00 -0.87 0.00 0.00 58.31 57.67 1myg n LYS 96 Cb 1.07 -1.54 0.13 0.00 0.02 0.00 0.00 35.03 34.71 1myg n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1myg n HIS 97 N -4.41 0.40 -3.57 5.64 -0.00 0.69 -4.99 115.22 108.97 1myg n HIS 97 Ca -0.29 0.12 -0.21 0.00 -0.00 0.00 0.00 57.72 57.33 1myg n HIS 97 Cb 0.63 -0.54 0.01 0.00 -0.00 0.00 0.00 29.99 30.09 1myg n HIS 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1myg n LYS 98 N -2.00 -1.32 -3.64 -0.41 5.02 -0.65 -4.99 118.16 110.17 1myg n LYS 98 Ca 0.03 0.85 -0.38 0.00 -2.02 0.00 0.00 58.31 56.78 1myg n LYS 98 Cb 0.43 -3.78 -0.12 0.00 -0.02 0.00 0.00 35.03 31.54 1myg n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1myg s ILE 99 N -3.15 4.75 0.66 -0.18 -1.09 0.62 -5.02 121.20 117.79 1myg s ILE 99 Ca 0.16 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 58.14 1myg s ILE 99 Cb -0.06 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1myg s ILE 99 CO 0.85 0.12 1.16 -2.16 -1.23 0.00 0.00 174.94 173.68 1myg s PRO 100 N 1.65 2.63 0.23 2.79 0.04 -1.26 -4.75 135.00 136.34 1myg s PRO 100 Ca 0.05 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 1myg s PRO 100 Cb -0.17 -1.91 0.35 0.00 0.04 0.00 0.00 34.50 32.81 1myg s PRO 100 CO 0.07 -1.42 1.81 0.28 0.04 0.00 0.00 177.00 177.77 1myg h VAL 101 N 0.15 0.92 -0.87 -0.36 2.07 0.11 -0.56 116.25 117.71 1myg h VAL 101 Ca -0.48 -0.26 0.20 0.00 0.82 0.00 0.00 66.70 66.98 1myg h VAL 101 Cb 1.27 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1myg h VAL 101 CO 0.53 0.14 0.58 0.07 0.02 0.00 0.00 177.57 178.91 1myg h LYS 102 N 0.76 0.36 0.00 1.57 2.10 -1.92 0.80 116.57 120.23 1myg h LYS 102 Ca 0.37 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.95 1myg h LYS 102 Cb 0.31 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 1myg h LYS 102 CO -0.23 0.24 -0.23 1.88 -2.00 0.00 0.00 179.45 179.11 1myg h TYR 103 N 0.37 0.00 -0.02 0.07 -1.99 -1.46 -1.00 116.97 112.94 1myg h TYR 103 Ca 0.45 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.10 1myg h TYR 103 Cb 1.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 1myg h TYR 103 CO -0.00 0.23 -0.36 -0.07 -0.00 0.00 0.00 178.16 177.95 1myg h LEU 104 N 0.00 0.04 -0.23 3.88 3.38 0.73 -0.76 115.31 122.35 1myg h LEU 104 Ca -0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1myg h LEU 104 Cb 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1myg h LEU 104 CO 0.03 0.40 -0.42 -0.08 0.09 0.00 0.00 178.44 178.46 1myg h GLU 105 N 0.03 0.69 -0.60 1.13 4.81 -0.88 -1.82 114.58 117.95 1myg h GLU 105 Ca 0.00 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1myg h GLU 105 Cb 0.66 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1myg h GLU 105 CO 0.05 1.05 0.27 0.74 -0.73 0.00 0.00 179.01 180.39 1myg h PHE 106 N 0.41 0.88 -0.05 0.92 0.04 -0.46 -2.52 116.94 116.16 1myg h PHE 106 Ca 0.01 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.63 1myg h PHE 106 Cb 1.01 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 1myg h PHE 106 CO 0.08 0.68 -0.46 0.97 -0.60 0.00 0.00 178.31 178.98 1myg h ILE 107 N 0.82 1.33 -0.62 -0.55 2.10 -1.11 -1.44 117.51 118.04 1myg h ILE 107 Ca 0.20 -1.62 0.02 0.00 1.08 0.00 0.00 64.86 64.54 1myg h ILE 107 Cb 0.15 1.81 -0.04 0.00 -1.09 0.00 0.00 36.82 37.65 1myg h ILE 107 CO -0.02 0.47 0.39 0.28 -1.08 0.00 0.00 178.15 178.19 1myg h SER 108 N 0.10 0.65 -0.32 2.19 0.02 -1.04 -0.39 113.55 114.75 1myg h SER 108 Ca 0.00 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1myg h SER 108 Cb 0.86 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1myg h SER 108 CO 0.07 0.45 -0.27 1.05 -1.14 0.00 0.00 176.83 176.99 1myg h GLU 109 N 0.77 0.83 -0.70 3.45 4.11 -1.20 -1.52 114.58 120.32 1myg h GLU 109 Ca 0.24 -0.36 -0.06 0.00 0.07 0.00 0.00 59.36 59.25 1myg h GLU 109 Cb -0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1myg h GLU 109 CO -0.09 1.00 0.19 0.00 0.07 0.00 0.00 179.01 180.19 1myg h ALA 110 N 0.98 1.02 -0.24 1.06 0.00 -0.67 -0.11 119.26 121.31 1myg h ALA 110 Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1myg h ALA 110 Cb 0.81 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1myg h ALA 110 CO 0.07 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.83 1myg h ILE 111 N 1.05 0.89 -0.71 0.00 2.04 -0.77 0.52 117.51 120.53 1myg h ILE 111 Ca 0.22 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 1myg h ILE 111 Cb 0.33 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1myg h ILE 111 CO -0.00 0.03 0.26 0.40 0.00 0.00 0.00 178.15 178.84 1myg h ILE 112 N 0.14 1.25 -0.98 -0.67 2.04 -0.90 -1.57 117.51 116.82 1myg h ILE 112 Ca 0.11 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1myg h ILE 112 Cb 0.11 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1myg h ILE 112 CO -0.14 0.32 0.64 1.56 0.00 0.00 0.00 178.15 180.53 1myg h GLN 113 N 1.02 1.18 -0.28 2.37 4.20 -0.75 -0.91 115.11 121.95 1myg h GLN 113 Ca 0.23 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1myg h GLN 113 Cb 0.24 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1myg h GLN 113 CO -0.02 0.78 -0.09 0.28 -0.67 0.00 0.00 178.83 179.11 1myg h VAL 114 N 1.22 1.29 -0.58 -0.54 2.07 -0.48 -0.45 116.25 118.76 1myg h VAL 114 Ca 0.40 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1myg h VAL 114 Cb 0.05 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1myg h VAL 114 CO -0.13 0.36 0.20 -0.07 0.02 0.00 0.00 177.57 177.95 1myg h LEU 115 N 0.30 0.84 -0.56 2.57 3.38 -0.96 0.15 115.31 121.01 1myg h LEU 115 Ca 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1myg h LEU 115 Cb 0.58 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1myg h LEU 115 CO 0.03 0.81 0.33 -0.61 0.09 0.00 0.00 178.44 179.09 1myg h GLN 116 N 0.82 0.77 -0.31 1.13 5.75 -1.09 0.38 115.11 122.56 1myg h GLN 116 Ca 0.19 -0.08 -0.18 0.00 -0.15 0.00 0.00 58.65 58.44 1myg h GLN 116 Cb 0.26 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 1myg h GLN 116 CO -0.01 0.57 -0.50 0.77 -2.65 0.00 0.00 178.83 177.01 1myg h SER 117 N 0.76 0.96 0.57 -0.69 0.02 -0.82 -3.21 113.55 111.13 1myg h SER 117 Ca 0.20 -0.49 -0.28 0.00 -0.84 0.00 0.00 61.79 60.38 1myg h SER 117 Cb 0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1myg h SER 117 CO -0.04 1.28 -1.48 0.11 -1.14 0.00 0.00 176.83 175.57 1myg h LYS 118 N 0.68 0.13 -1.68 3.45 1.57 -0.56 -3.41 116.57 116.75 1myg h LYS 118 Ca 0.03 -0.23 -0.52 0.00 -1.87 0.00 0.00 60.65 58.06 1myg h LYS 118 Cb 1.10 0.09 -0.41 0.00 0.08 0.00 0.00 32.23 33.08 1myg h LYS 118 CO 0.11 0.94 -0.89 0.72 -0.57 0.00 0.00 179.45 179.76 1myg n HIS 119 N -3.33 2.54 -0.31 -1.35 8.25 0.11 -4.94 115.22 116.19 1myg n HIS 119 Ca -0.14 -3.39 0.14 0.00 -0.26 0.00 0.00 57.72 54.08 1myg n HIS 119 Cb 1.02 -0.31 0.38 0.00 1.12 0.00 0.00 29.99 32.20 1myg n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myg h PRO 120 N 2.85 0.65 -0.20 -0.41 0.13 -1.73 -0.20 132.00 133.08 1myg h PRO 120 Ca 0.13 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.11 1myg h PRO 120 Cb 0.88 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1myg h PRO 120 CO 0.71 0.43 -0.36 0.78 -0.23 0.00 0.00 178.00 179.33 1myg h GLY 121 N 0.67 0.48 -0.47 1.56 0.00 -1.92 -2.62 103.07 100.76 1myg h GLY 121 Ca 0.52 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1myg h GLY 121 CO -0.28 0.40 -0.64 1.22 0.00 0.00 0.00 176.54 177.24 1myg n ASP 122 N -4.06 1.41 -3.21 0.19 8.00 -0.37 -4.58 116.55 113.94 1myg n ASP 122 Ca -0.01 -1.20 -0.29 0.00 0.71 0.00 0.00 54.79 53.99 1myg n ASP 122 Cb 0.47 0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 42.25 1myg n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1myg n PHE 123 N -0.71 3.72 -0.94 1.24 7.35 -0.23 -4.82 117.46 123.06 1myg n PHE 123 Ca 0.06 -3.81 -0.09 0.00 -0.76 0.00 0.00 57.45 52.84 1myg n PHE 123 Cb 0.36 -0.63 0.07 0.00 0.35 0.00 0.00 39.48 39.63 1myg n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myg n GLY 124 N 0.16 -1.97 0.29 7.13 0.00 -1.25 -4.59 105.19 104.95 1myg n GLY 124 Ca 0.32 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.83 1myg n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myg h ALA 125 N -2.10 1.16 0.09 4.61 0.00 -1.95 0.11 119.26 121.18 1myg h ALA 125 Ca -0.13 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1myg h ALA 125 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1myg h ALA 125 CO 0.09 -0.05 -0.04 -0.44 0.00 0.00 0.00 179.25 178.80 1myg h ASP 126 N 0.64 -0.10 -0.79 0.00 3.32 -1.98 -1.45 116.42 116.06 1myg h ASP 126 Ca 0.42 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1myg h ASP 126 Cb 0.52 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1myg h ASP 126 CO -0.32 0.19 0.43 0.00 -1.72 0.00 0.00 179.24 177.82 1myg h ALA 127 N 0.48 1.01 -0.08 3.45 0.00 -1.82 -2.18 119.26 120.13 1myg h ALA 127 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1myg h ALA 127 Cb 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1myg h ALA 127 CO 0.02 0.53 -0.14 1.96 0.00 0.00 0.00 179.25 181.62 1myg h GLN 128 N 1.09 -0.19 -0.95 0.00 4.20 -0.62 0.01 115.11 118.65 1myg h GLN 128 Ca 0.28 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1myg h GLN 128 Cb 0.04 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1myg h GLN 128 CO -0.04 -0.12 0.60 0.78 -0.67 0.00 0.00 178.83 179.37 1myg h GLY 129 N -0.19 1.37 0.86 3.46 0.00 -1.05 -1.40 103.07 106.11 1myg h GLY 129 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1myg h GLY 129 CO -0.19 0.53 -0.07 0.00 0.00 0.00 0.00 176.54 176.81 1myg h ALA 130 N 1.33 -0.18 -0.75 3.60 0.00 -1.16 -1.21 119.26 120.87 1myg h ALA 130 Ca 0.34 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1myg h ALA 130 Cb -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1myg h ALA 130 CO -0.07 -0.53 0.50 1.98 0.00 0.00 0.00 179.25 181.12 1myg h MET 131 N -0.33 0.89 -0.58 0.00 -1.53 -0.84 -1.30 114.93 111.24 1myg h MET 131 Ca -0.02 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.17 1myg h MET 131 Cb 0.26 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 31.08 1myg h MET 131 CO 0.03 0.59 0.32 0.77 0.14 0.00 0.00 176.91 178.76 1myg h SER 132 N 0.92 0.73 -0.15 1.39 0.02 -1.08 -1.31 113.55 114.07 1myg h SER 132 Ca 0.30 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1myg h SER 132 Cb 0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1myg h SER 132 CO -0.09 0.62 -0.17 0.11 -1.14 0.00 0.00 176.83 176.16 1myg h LYS 133 N 0.79 0.55 -0.33 3.45 1.57 -0.74 -0.17 116.57 121.68 1myg h LYS 133 Ca 0.20 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1myg h LYS 133 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1myg h LYS 133 CO -0.03 0.70 0.15 0.00 -0.57 0.00 0.00 179.45 179.69 1myg h ALA 134 N 1.32 0.43 -0.10 3.86 0.00 -0.78 -1.31 119.26 122.68 1myg h ALA 134 Ca 0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1myg h ALA 134 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1myg h ALA 134 CO 0.04 0.01 -0.62 -0.07 0.00 0.00 0.00 179.25 178.61 1myg h LEU 135 N 0.40 0.42 -0.97 0.00 3.38 -1.17 -2.53 115.31 114.83 1myg h LEU 135 Ca 0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1myg h LEU 135 Cb 0.15 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1myg h LEU 135 CO -0.01 0.93 0.12 -0.08 0.09 0.00 0.00 178.44 179.49 1myg h GLU 136 N 0.27 0.87 -0.40 1.13 4.81 -0.80 -0.34 114.58 120.12 1myg h GLU 136 Ca -0.01 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1myg h GLU 136 Cb 1.15 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1myg h GLU 136 CO 0.10 0.79 -0.02 1.25 -0.73 0.00 0.00 179.01 180.41 1myg h LEU 137 N 0.84 0.72 -0.08 1.64 5.85 -1.14 -0.70 115.31 122.44 1myg h LEU 137 Ca 0.18 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1myg h LEU 137 Cb 0.33 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1myg h LEU 137 CO 0.00 0.87 -0.17 0.15 -0.34 0.00 0.00 178.44 178.94 1myg h PHE 138 N 0.55 -0.45 -0.57 1.25 3.57 -1.32 0.20 116.94 120.18 1myg h PHE 138 Ca 0.11 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1myg h PHE 138 Cb 0.51 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1myg h PHE 138 CO 0.04 -0.25 -0.00 0.00 -2.23 0.00 0.00 178.31 175.87 1myg h ARG 139 N -0.25 0.98 -0.56 1.11 3.08 -0.86 -0.91 114.38 116.97 1myg h ARG 139 Ca 0.08 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 1myg h ARG 139 Cb 0.36 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1myg h ARG 139 CO -0.22 0.96 0.06 -0.91 -1.07 0.00 0.00 179.97 178.79 1myg h ASN 140 N 0.90 0.87 0.05 7.04 -0.26 -0.76 0.85 115.58 124.27 1myg h ASN 140 Ca 0.16 -0.20 -0.16 0.00 -0.56 0.00 0.00 56.30 55.54 1myg h ASN 140 Cb 0.53 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 1myg h ASN 140 CO 0.03 0.90 -0.57 0.44 -1.06 0.00 0.00 177.43 177.17 1myg h ASP 141 N 0.86 0.61 -0.08 5.81 5.19 -0.35 -2.17 116.42 126.28 1myg h ASP 141 Ca 0.17 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1myg h ASP 141 Cb 0.43 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1myg h ASP 141 CO 0.01 1.05 0.03 0.24 -3.12 0.00 0.00 179.24 177.45 1myg h MET 142 N 0.41 0.11 -0.94 3.56 2.86 -0.94 -2.41 114.93 117.59 1myg h MET 142 Ca 0.00 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1myg h MET 142 Cb 1.11 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.69 1myg h MET 142 CO 0.11 0.24 0.60 0.00 1.06 0.00 0.00 176.91 178.92 1myg h ALA 143 N 0.87 1.57 -0.40 6.32 0.00 -0.73 -1.69 119.26 125.20 1myg h ALA 143 Ca 0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1myg h ALA 143 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1myg h ALA 143 CO -0.00 0.24 -0.27 0.00 0.00 0.00 0.00 179.25 179.21 1myg h ALA 144 N 1.53 0.76 -0.37 0.00 0.00 -1.25 -2.65 119.26 117.29 1myg h ALA 144 Ca 0.44 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1myg h ALA 144 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1myg h ALA 144 CO -0.20 0.66 -0.15 -0.22 0.00 0.00 0.00 179.25 179.34 1myg h LYS 145 N 0.72 0.68 -0.14 0.00 3.11 -0.90 -1.59 116.57 118.45 1myg h LYS 145 Ca 0.09 -0.23 0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1myg h LYS 145 Cb 0.82 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.94 1myg h LYS 145 CO 0.07 0.80 -0.17 1.88 -2.81 0.00 0.00 179.45 179.22 1myg h TYR 146 N 0.61 -0.42 -0.94 1.91 -1.99 -1.16 -0.78 116.97 114.20 1myg h TYR 146 Ca 0.10 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.91 1myg h TYR 146 Cb 0.60 0.21 -0.06 0.00 2.00 0.00 0.00 36.73 39.48 1myg h TYR 146 CO 0.03 -0.24 0.61 0.87 -0.00 0.00 0.00 178.16 179.43 1myg h LYS 147 N -0.20 1.07 0.00 4.88 1.57 -1.07 0.20 116.57 123.01 1myg h LYS 147 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1myg h LYS 147 Cb 0.35 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1myg h LYS 147 CO -0.26 0.71 -0.28 1.05 -0.57 0.00 0.00 179.45 180.09 1myg h GLU 148 N 1.10 0.00 0.00 3.15 4.11 -0.94 -2.86 114.58 119.14 1myg h GLU 148 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1myg h GLU 148 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1myg h GLU 148 CO -0.14 0.00 -0.15 -0.07 0.07 0.00 0.00 179.01 178.72 1myg h LEU 149 N 0.00 0.00 -0.30 3.06 3.38 0.77 -3.47 115.31 118.74 1myg h LEU 149 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1myg h LEU 149 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1myg h LEU 149 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1myg n GLY 150 N 1.23 1.05 0.00 0.83 0.00 -0.13 -5.07 105.19 103.10 1myg n GLY 150 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1myg n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1myg n PHE 151 N -1.83 0.00 0.00 1.61 3.72 0.16 -4.98 117.46 116.14 1myg n PHE 151 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1myg n PHE 151 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1myg n PHE 151 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1myg n GLN 152 N 0.00 0.00 0.00 -1.08 7.27 -1.26 -3.91 117.38 118.40 1myg n GLN 152 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1myg n GLN 152 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1myg n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54