#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myj s LEU 2 N 0.00 4.14 0.89 0.99 1.02 -1.26 -5.08 118.68 119.39 1myj s LEU 2 Ca 0.00 0.34 -0.12 0.00 0.02 0.00 0.00 54.13 54.37 1myj s LEU 2 Cb 0.00 -3.16 0.13 0.00 0.02 0.00 0.00 46.19 43.17 1myj s LEU 2 CO 0.00 -0.18 1.11 -0.94 0.02 0.00 0.00 176.35 176.36 1myj s SER 3 N -3.81 3.60 0.30 2.29 1.04 -1.26 -4.80 113.70 111.06 1myj s SER 3 Ca 0.38 1.23 0.01 0.00 0.48 0.00 0.00 55.95 58.05 1myj s SER 3 Cb -0.10 -1.90 0.54 0.00 0.10 0.00 0.00 66.02 64.66 1myj s SER 3 CO 0.32 -2.52 1.92 0.44 0.98 0.00 0.00 173.24 174.38 1myj h ASP 4 N -1.47 0.90 -0.50 7.02 3.32 -1.99 -1.51 116.42 122.19 1myj h ASP 4 Ca -0.50 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 1myj h ASP 4 Cb 1.30 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1myj h ASP 4 CO 0.59 0.58 -0.03 1.23 -1.72 0.00 0.00 179.24 179.88 1myj h GLY 5 N 1.02 1.02 0.93 2.75 0.00 -1.99 -1.00 103.07 105.80 1myj h GLY 5 Ca 0.38 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1myj h GLY 5 CO -0.14 0.68 -0.38 0.83 0.00 0.00 0.00 176.54 177.53 1myj h GLU 6 N 0.86 0.61 -0.70 4.80 5.08 -1.81 -2.41 114.58 121.02 1myj h GLU 6 Ca 0.15 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1myj h GLU 6 Cb 0.55 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1myj h GLU 6 CO 0.03 1.00 0.45 -1.49 -1.00 0.00 0.00 179.01 178.01 1myj h TRP 7 N 0.28 0.88 -0.52 4.33 4.06 -1.17 -1.74 115.95 122.08 1myj h TRP 7 Ca 0.01 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1myj h TRP 7 Cb 0.98 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.82 1myj h TRP 7 CO 0.09 0.56 0.33 0.37 -3.56 0.00 0.00 178.44 176.23 1myj h GLN 8 N 0.95 0.69 -0.43 0.49 5.75 -0.97 0.16 115.11 121.75 1myj h GLN 8 Ca 0.25 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 1myj h GLN 8 Cb -0.09 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 1myj h GLN 8 CO -0.05 0.48 0.15 -0.07 -2.65 0.00 0.00 178.83 176.68 1myj h LEU 9 N 0.70 0.61 -0.30 -2.39 3.38 -0.90 -1.94 115.31 114.47 1myj h LEU 9 Ca 0.19 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1myj h LEU 9 Cb -0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1myj h LEU 9 CO -0.04 0.64 0.07 0.58 0.09 0.00 0.00 178.44 179.78 1myj h VAL 10 N 0.55 0.87 -0.20 1.22 2.07 -1.07 -1.03 116.25 118.66 1myj h VAL 10 Ca 0.14 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.48 1myj h VAL 10 Cb 0.24 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1myj h VAL 10 CO -0.01 0.03 -0.39 -0.07 0.02 0.00 0.00 177.57 177.15 1myj h LEU 11 N 0.18 0.49 -0.16 2.57 3.38 -0.88 -0.15 115.31 120.74 1myj h LEU 11 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1myj h LEU 11 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1myj h LEU 11 CO -0.17 0.83 -0.02 -1.13 0.09 0.00 0.00 178.44 178.04 1myj h ASN 12 N 0.39 0.28 -0.81 -0.43 -0.73 -1.09 -1.88 115.58 111.31 1myj h ASN 12 Ca 0.04 -0.34 -0.03 0.00 1.87 0.00 0.00 56.30 57.84 1myj h ASN 12 Cb 0.86 -0.08 -0.04 0.00 0.27 0.00 0.00 38.32 39.34 1myj h ASN 12 CO 0.07 0.55 0.39 0.58 -0.37 0.00 0.00 177.43 178.65 1myj h VAL 13 N 0.01 1.25 -0.37 2.57 2.07 -1.01 -2.67 116.25 118.11 1myj h VAL 13 Ca 0.04 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1myj h VAL 13 Cb 0.41 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1myj h VAL 13 CO 0.01 0.30 0.25 -0.25 0.02 0.00 0.00 177.57 177.90 1myj h TRP 14 N 1.15 0.44 -0.94 1.57 2.91 -0.85 -0.91 115.95 119.32 1myj h TRP 14 Ca 0.28 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.47 1myj h TRP 14 Cb 0.12 -0.15 -0.08 0.00 -0.51 0.00 0.00 29.16 28.54 1myj h TRP 14 CO 0.01 0.27 0.60 0.78 -1.03 0.00 0.00 178.44 179.07 1myj h GLY 15 N 0.47 1.36 1.02 2.65 0.00 -0.97 0.75 103.07 108.35 1myj h GLY 15 Ca 0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1myj h GLY 15 CO -0.03 0.06 0.16 0.50 0.00 0.00 0.00 176.54 177.23 1myj h LYS 16 N 0.73 0.98 -0.01 4.80 1.79 -1.27 -2.61 116.57 120.97 1myj h LYS 16 Ca 0.49 -0.23 -0.15 0.00 -2.18 0.00 0.00 60.65 58.57 1myj h LYS 16 Cb 0.77 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 1myj h LYS 16 CO -0.25 0.89 -0.69 0.28 -1.08 0.00 0.00 179.45 178.60 1myj h VAL 17 N 0.90 1.47 0.00 0.50 2.07 -0.88 -3.14 116.25 117.17 1myj h VAL 17 Ca 0.19 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1myj h VAL 17 Cb 0.34 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1myj h VAL 17 CO 0.00 0.66 0.00 -0.33 0.02 0.00 0.00 177.57 177.92 1myj h GLU 18 N 0.05 0.00 0.00 1.57 5.08 -0.62 0.26 114.58 120.92 1myj h GLU 18 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1myj h GLU 18 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1myj h GLU 18 CO 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1myj n ALA 19 N -1.92 2.27 -2.75 3.43 0.00 -1.12 -4.26 120.51 116.16 1myj n ALA 19 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 1myj n ALA 19 Cb 0.23 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.27 1myj n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1myj n ASP 20 N -1.55 -2.97 -0.03 0.00 2.03 0.81 -5.03 116.55 109.81 1myj n ASP 20 Ca 0.07 -3.14 -0.12 0.00 0.52 0.00 0.00 54.79 52.11 1myj n ASP 20 Cb 0.33 1.77 -0.07 0.00 -0.72 0.00 0.00 41.12 42.43 1myj n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myj h VAL 21 N 3.40 1.25 -0.51 5.18 2.07 -1.43 -2.06 116.25 124.15 1myj h VAL 21 Ca -0.10 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 1myj h VAL 21 Cb 1.06 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1myj h VAL 21 CO 0.23 0.23 -0.01 0.00 0.02 0.00 0.00 177.57 178.05 1myj h ALA 22 N 0.74 1.02 -0.25 1.67 0.00 -1.90 -0.40 119.26 120.15 1myj h ALA 22 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1myj h ALA 22 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1myj h ALA 22 CO 0.01 0.60 0.03 0.78 0.00 0.00 0.00 179.25 180.67 1myj h GLY 23 N 0.99 0.46 1.43 0.00 0.00 -1.91 -1.56 103.07 102.47 1myj h GLY 23 Ca 0.15 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1myj h GLY 23 CO 0.02 0.29 -0.16 0.45 0.00 0.00 0.00 176.54 177.15 1myj h HIS 24 N 0.22 0.75 -0.31 5.60 3.86 -1.15 -2.82 115.15 121.29 1myj h HIS 24 Ca 0.07 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1myj h HIS 24 Cb 0.36 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1myj h HIS 24 CO 0.03 0.79 -0.01 0.78 0.86 0.00 0.00 177.93 180.38 1myj h GLY 25 N 0.98 0.60 0.76 2.45 0.00 -0.92 -1.51 103.07 105.43 1myj h GLY 25 Ca 0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1myj h GLY 25 CO 0.04 0.41 -0.27 -1.61 0.00 0.00 0.00 176.54 175.11 1myj h GLN 26 N 0.35 -0.60 -1.00 4.80 4.15 -1.30 -2.30 115.11 119.21 1myj h GLN 26 Ca 0.09 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.57 1myj h GLN 26 Cb 0.45 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 1myj h GLN 26 CO 0.02 -0.40 0.66 1.49 -1.93 0.00 0.00 178.83 178.67 1myj h GLU 27 N -0.62 1.27 -0.54 1.69 4.57 -1.43 -0.29 114.58 119.24 1myj h GLU 27 Ca -0.02 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1myj h GLU 27 Cb 0.54 -0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1myj h GLU 27 CO -0.02 0.84 0.34 0.28 -1.18 0.00 0.00 179.01 179.28 1myj h VAL 28 N 1.31 1.11 -0.01 0.32 2.07 -1.18 -0.32 116.25 119.55 1myj h VAL 28 Ca 0.38 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.50 1myj h VAL 28 Cb -0.07 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1myj h VAL 28 CO -0.10 0.13 -0.75 -0.07 0.02 0.00 0.00 177.57 176.80 1myj h LEU 29 N 0.70 0.13 -0.29 2.57 3.38 -0.90 -0.39 115.31 120.51 1myj h LEU 29 Ca 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1myj h LEU 29 Cb -0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1myj h LEU 29 CO -0.06 0.83 0.05 0.40 0.09 0.00 0.00 178.44 179.75 1myj h ILE 30 N 0.07 1.23 -0.57 1.22 2.04 -0.59 -1.25 117.51 119.65 1myj h ILE 30 Ca -0.02 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1myj h ILE 30 Cb 1.31 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 1myj h ILE 30 CO 0.11 0.25 0.31 0.03 0.00 0.00 0.00 178.15 178.84 1myj h ARG 31 N 0.30 0.57 -0.12 2.37 2.47 -0.94 0.30 114.38 119.33 1myj h ARG 31 Ca 0.09 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1myj h ARG 31 Cb 0.33 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1myj h ARG 31 CO 0.00 0.38 0.06 1.25 0.56 0.00 0.00 179.97 182.22 1myj h LEU 32 N 0.58 0.16 -0.92 3.04 5.85 -0.81 -0.62 115.31 122.60 1myj h LEU 32 Ca 0.25 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1myj h LEU 32 Cb 0.14 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1myj h LEU 32 CO -0.16 0.24 -0.50 -0.26 -0.34 0.00 0.00 178.44 177.41 1myj h PHE 33 N 0.07 0.00 0.08 1.25 0.04 -0.95 0.22 116.94 117.65 1myj h PHE 33 Ca 0.04 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.54 1myj h PHE 33 Cb 0.12 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1myj h PHE 33 CO -0.03 0.50 -1.33 0.87 -0.60 0.00 0.00 178.31 177.72 1myj h LYS 34 N 0.00 0.17 0.06 1.51 1.79 -0.32 -3.18 116.57 116.59 1myj h LYS 34 Ca -0.01 -0.30 -0.24 0.00 -2.18 0.00 0.00 60.65 57.93 1myj h LYS 34 Cb 0.95 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1myj h LYS 34 CO 0.07 1.06 -1.09 0.78 -1.08 0.00 0.00 179.45 179.19 1myj h GLY 35 N 2.14 0.18 -5.98 3.86 0.00 -0.79 -3.40 103.07 99.07 1myj h GLY 35 Ca -0.16 -0.42 -0.47 0.00 0.00 0.00 0.00 47.33 46.28 1myj h GLY 35 CO 0.16 0.37 -0.85 1.42 0.00 0.00 0.00 176.54 177.64 1myj n HIS 36 N -3.48 -1.74 -0.21 5.60 8.25 0.75 -5.00 115.22 119.39 1myj n HIS 36 Ca -0.04 -2.77 0.28 0.00 -0.26 0.00 0.00 57.72 54.93 1myj n HIS 36 Cb 0.96 0.60 0.70 0.00 1.12 0.00 0.00 29.99 33.37 1myj n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myj h PRO 37 N 5.44 0.05 -0.53 -0.41 0.11 -1.74 0.30 132.00 135.22 1myj h PRO 37 Ca 0.21 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.40 1myj h PRO 37 Cb 0.96 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1myj h PRO 37 CO 0.27 0.03 0.36 1.05 -0.21 0.00 0.00 178.00 179.50 1myj h GLU 38 N 0.05 0.38 -0.18 1.05 4.11 -1.92 -2.17 114.58 115.90 1myj h GLU 38 Ca 0.46 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.80 1myj h GLU 38 Cb 1.73 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1myj h GLU 38 CO -0.03 0.25 -0.18 1.79 0.07 0.00 0.00 179.01 180.90 1myj h THR 39 N 0.39 1.22 -0.81 -1.06 1.35 -0.72 -2.94 112.91 110.34 1myj h THR 39 Ca 0.24 -1.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.24 1myj h THR 39 Cb 0.44 1.29 -0.06 0.00 -1.73 0.00 0.00 68.15 68.09 1myj h THR 39 CO -0.06 0.31 0.53 0.25 -0.25 0.00 0.00 175.52 176.30 1myj h LEU 40 N 0.29 0.54 -1.68 3.87 5.85 -1.53 -1.96 115.31 120.69 1myj h LEU 40 Ca 0.05 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1myj h LEU 40 Cb 0.50 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1myj h LEU 40 CO 0.03 0.29 0.33 -0.08 -0.34 0.00 0.00 178.44 178.66 1myj h GLU 41 N 0.58 0.38 0.00 1.25 4.81 -1.65 -2.08 114.58 117.86 1myj h GLU 41 Ca 0.40 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1myj h GLU 41 Cb 0.72 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1myj h GLU 41 CO -0.16 0.25 0.00 1.63 -0.73 0.00 0.00 179.01 180.00 1myj n LYS 42 N -4.47 0.21 -3.71 1.92 4.76 -0.74 -4.60 118.16 111.52 1myj n LYS 42 Ca 0.07 0.14 -0.38 0.00 -2.87 0.00 0.00 58.31 55.26 1myj n LYS 42 Cb 0.27 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.84 1myj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1myj s PHE 43 N -2.63 3.27 0.33 2.13 0.08 -0.78 -4.99 117.98 115.38 1myj s PHE 43 Ca 0.15 -1.41 0.19 0.00 0.12 0.00 0.00 56.93 55.97 1myj s PHE 43 Cb 0.11 -2.41 0.92 0.00 -0.57 0.00 0.00 43.02 41.08 1myj s PHE 43 CO 0.26 -0.74 1.87 -0.44 -0.10 0.00 0.00 175.22 176.08 1myj h ASP 44 N 8.26 0.00 1.15 1.36 3.32 -1.85 0.37 116.42 129.03 1myj h ASP 44 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1myj h ASP 44 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1myj h ASP 44 CO 0.63 0.29 0.00 0.29 -1.72 0.00 0.00 179.24 178.74 1myj n LYS 45 N -3.82 0.18 0.00 3.56 5.02 -1.26 -4.05 118.16 117.79 1myj n LYS 45 Ca -0.01 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1myj n LYS 45 Cb 0.38 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1myj n LYS 45 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1myj n PHE 46 N -2.07 0.00 0.00 2.13 3.72 -0.98 -4.72 117.46 115.54 1myj n PHE 46 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1myj n PHE 46 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1myj n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1myj n LYS 47 N -1.18 0.00 0.00 -1.08 5.02 0.13 -1.67 118.16 119.37 1myj n LYS 47 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1myj n LYS 47 Cb 0.00 0.00 0.51 0.00 -0.02 0.00 0.00 35.03 35.52 1myj n LYS 47 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1myj n HIS 48 N -3.08 0.00 -1.97 2.13 8.25 -1.26 -4.89 115.22 114.39 1myj n HIS 48 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1myj n HIS 48 Cb 0.00 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 1myj n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1myj s LEU 49 N -2.63 4.37 0.00 2.41 1.02 -0.67 -4.89 118.68 118.29 1myj s LEU 49 Ca 0.18 2.63 0.12 0.00 0.02 0.00 0.00 54.13 57.09 1myj s LEU 49 Cb 0.14 -3.61 -0.07 0.00 0.02 0.00 0.00 46.19 42.67 1myj s LEU 49 CO 0.32 -0.77 0.62 0.29 0.02 0.00 0.00 176.35 176.83 1myj n LYS 50 N 3.30 2.48 -4.02 1.70 4.76 -1.26 -5.01 118.16 120.11 1myj n LYS 50 Ca 0.11 -0.33 -0.11 0.00 -2.87 0.00 0.00 58.31 55.11 1myj n LYS 50 Cb 0.39 -1.12 -0.05 0.00 -1.84 0.00 0.00 35.03 32.42 1myj n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1myj s SER 51 N -1.89 0.18 0.20 4.39 1.04 -1.26 -5.03 113.70 111.34 1myj s SER 51 Ca 0.07 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.36 1myj s SER 51 Cb 0.10 0.61 0.14 0.00 0.10 0.00 0.00 66.02 66.97 1myj s SER 51 CO 0.41 -1.19 1.53 -0.08 0.98 0.00 0.00 173.24 174.89 1myj h GLU 52 N 2.23 0.55 -0.13 4.02 4.81 -1.99 -0.62 114.58 123.45 1myj h GLU 52 Ca -0.28 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 58.52 1myj h GLU 52 Cb 1.25 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1myj h GLU 52 CO 0.38 0.93 -0.37 -0.44 -0.73 0.00 0.00 179.01 178.77 1myj h ASP 53 N 0.43 0.29 -0.25 1.04 3.32 -1.99 0.33 116.42 119.60 1myj h ASP 53 Ca 0.02 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1myj h ASP 53 Cb 1.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1myj h ASP 53 CO 0.10 0.65 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.76 1myj h GLU 54 N 0.24 0.55 -0.67 3.56 5.08 -1.86 -2.30 114.58 119.18 1myj h GLU 54 Ca 0.03 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1myj h GLU 54 Cb 0.77 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1myj h GLU 54 CO 0.06 0.84 0.44 0.52 -1.00 0.00 0.00 179.01 179.87 1myj h MET 55 N 0.27 0.89 -0.39 2.33 2.86 -0.40 -2.56 114.93 117.93 1myj h MET 55 Ca 0.05 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1myj h MET 55 Cb 0.70 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1myj h MET 55 CO 0.05 0.60 -0.04 0.87 1.06 0.00 0.00 176.91 179.45 1myj h LYS 56 N 0.91 0.64 0.00 1.72 1.57 -0.36 -2.91 116.57 118.15 1myj h LYS 56 Ca 0.25 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1myj h LYS 56 Cb -0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1myj h LYS 56 CO -0.05 0.69 -0.28 0.00 -0.57 0.00 0.00 179.45 179.24 1myj h ALA 57 N 1.36 0.92 -2.15 3.86 0.00 -1.11 -3.46 119.26 118.68 1myj h ALA 57 Ca 0.12 -0.25 -0.56 0.00 0.00 0.00 0.00 54.91 54.21 1myj h ALA 57 Cb 0.44 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1myj h ALA 57 CO 0.02 0.35 1.38 0.45 0.00 0.00 0.00 179.25 181.45 1myj n SER 58 N -3.31 3.67 -0.05 0.00 2.88 -0.99 -4.91 113.62 110.90 1myj n SER 58 Ca 0.01 0.51 -0.15 0.00 -1.33 0.00 0.00 58.87 57.91 1myj n SER 58 Cb 0.52 -1.54 -0.07 0.00 -0.75 0.00 0.00 64.21 62.37 1myj n SER 58 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1myj h GLU 59 N 13.12 0.55 0.00 -1.46 4.81 -1.88 -2.84 114.58 126.88 1myj h GLU 59 Ca -0.45 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.35 1myj h GLU 59 Cb 1.24 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1myj h GLU 59 CO 0.95 0.98 -0.30 -0.44 -0.73 0.00 0.00 179.01 179.47 1myj h ASP 60 N 0.19 0.00 -0.01 1.04 3.32 -1.97 -2.24 116.42 116.75 1myj h ASP 60 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1myj h ASP 60 Cb 0.98 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1myj h ASP 60 CO 0.08 0.30 0.00 0.25 -1.72 0.00 0.00 179.24 178.16 1myj h LEU 61 N 0.00 0.02 -0.89 1.55 6.46 -1.88 -1.43 115.31 119.14 1myj h LEU 61 Ca -0.00 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1myj h LEU 61 Cb 0.74 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1myj h LEU 61 CO 0.04 0.26 0.51 0.50 -0.62 0.00 0.00 178.44 179.12 1myj h LYS 62 N -0.22 1.23 -0.54 1.25 1.63 -1.24 -1.59 116.57 117.09 1myj h LYS 62 Ca 0.00 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.59 1myj h LYS 62 Cb 0.24 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1myj h LYS 62 CO 0.00 0.88 0.01 0.87 -3.45 0.00 0.00 179.45 177.76 1myj h LYS 63 N 1.24 0.94 -0.16 1.90 1.57 -1.31 -1.48 116.57 119.26 1myj h LYS 63 Ca 0.32 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1myj h LYS 63 Cb -0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1myj h LYS 63 CO -0.05 0.95 -0.53 1.25 -0.57 0.00 0.00 179.45 180.50 1myj h HIS 64 N 0.82 0.55 -0.53 -1.35 2.76 -1.09 -1.49 115.15 114.81 1myj h HIS 64 Ca 0.15 -0.19 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1myj h HIS 64 Cb 0.52 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1myj h HIS 64 CO 0.04 0.88 0.11 0.78 -1.30 0.00 0.00 177.93 178.44 1myj h GLY 65 N 1.18 0.94 0.68 5.26 0.00 -1.07 -0.06 103.07 110.00 1myj h GLY 65 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 46.77 1myj h GLY 65 CO 0.09 0.56 0.06 -0.57 0.00 0.00 0.00 176.54 176.69 1myj h ASN 66 N 0.76 0.02 -0.47 0.19 -1.24 -0.90 -1.71 115.58 112.24 1myj h ASN 66 Ca 0.17 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 1myj h ASN 66 Cb 0.37 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 1myj h ASN 66 CO 0.01 0.05 0.20 0.74 -1.29 0.00 0.00 177.43 177.13 1myj h THR 67 N 0.17 1.20 -0.04 -3.57 2.02 -0.99 0.53 112.91 112.23 1myj h THR 67 Ca 0.13 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1myj h THR 67 Cb 0.13 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1myj h THR 67 CO -0.17 0.23 0.01 0.74 0.37 0.00 0.00 175.52 176.70 1myj h THR 68 N 0.61 1.19 0.00 3.16 2.02 -0.84 -2.45 112.91 116.60 1myj h THR 68 Ca 0.16 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1myj h THR 68 Cb 0.17 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1myj h THR 68 CO -0.02 0.15 -0.40 -0.07 0.37 0.00 0.00 175.52 175.56 1myj h LEU 69 N -0.16 0.00 -0.48 2.58 3.38 -1.25 -2.35 115.31 117.04 1myj h LEU 69 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1myj h LEU 69 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1myj h LEU 69 CO 0.00 0.39 0.04 0.74 0.09 0.00 0.00 178.44 179.71 1myj h THR 70 N 0.00 1.25 -0.66 0.22 2.02 0.16 -1.85 112.91 114.05 1myj h THR 70 Ca -0.00 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1myj h THR 70 Cb 1.30 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1myj h THR 70 CO 0.05 0.34 0.26 0.00 0.37 0.00 0.00 175.52 176.54 1myj h ALA 71 N 0.94 0.86 -0.55 6.16 0.00 -1.34 -2.82 119.26 122.51 1myj h ALA 71 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1myj h ALA 71 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1myj h ALA 71 CO 0.02 0.49 0.00 1.25 0.00 0.00 0.00 179.25 181.01 1myj h LEU 72 N 0.94 0.92 -0.74 0.00 5.85 -1.33 -2.75 115.31 118.20 1myj h LEU 72 Ca 0.22 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1myj h LEU 72 Cb 0.22 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1myj h LEU 72 CO -0.02 0.98 0.49 1.23 -0.34 0.00 0.00 178.44 180.78 1myj h GLY 73 N 1.00 1.04 1.00 3.75 0.00 -1.20 -1.44 103.07 107.22 1myj h GLY 73 Ca 0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1myj h GLY 73 CO 0.02 0.37 0.12 -1.33 0.00 0.00 0.00 176.54 175.72 1myj h GLY 74 N 0.99 0.94 0.80 4.60 0.00 -1.33 -1.09 103.07 107.98 1myj h GLY 74 Ca 0.27 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1myj h GLY 74 CO -0.07 0.56 -0.16 -2.22 0.00 0.00 0.00 176.54 174.65 1myj h ILE 75 N 0.76 1.33 -0.62 2.60 2.04 -1.12 -3.17 117.51 119.33 1myj h ILE 75 Ca 0.17 -1.30 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1myj h ILE 75 Cb 0.36 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1myj h ILE 75 CO 0.00 0.39 0.16 -0.07 0.00 0.00 0.00 178.15 178.64 1myj h LEU 76 N 0.09 0.91 -2.30 1.44 3.38 -1.17 -2.38 115.31 115.27 1myj h LEU 76 Ca 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1myj h LEU 76 Cb 0.69 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1myj h LEU 76 CO 0.04 0.87 -0.03 0.11 0.09 0.00 0.00 178.44 179.52 1myj h LYS 77 N 0.93 0.00 0.00 1.13 1.57 -1.17 -0.89 116.57 118.13 1myj h LYS 77 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1myj h LYS 77 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1myj h LYS 77 CO -0.00 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 1myj n LYS 78 N -3.90 0.73 -4.29 3.15 4.76 -0.90 -4.95 118.16 112.77 1myj n LYS 78 Ca -0.03 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.08 1myj n LYS 78 Cb 0.11 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 1myj n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myj n LYS 79 N -1.12 -1.60 0.00 1.97 5.02 -0.34 -1.10 118.16 120.98 1myj n LYS 79 Ca 0.19 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1myj n LYS 79 Cb 0.16 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.99 1myj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myj n GLY 80 N -2.00 3.07 2.87 0.72 0.00 -1.26 -4.83 105.19 103.75 1myj n GLY 80 Ca -0.18 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1myj n GLY 80 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1myj n HIS 81 N 0.00 2.80 0.05 1.61 1.44 -0.26 -4.35 115.22 116.51 1myj n HIS 81 Ca 0.00 -2.75 0.01 0.00 -2.01 0.00 0.00 57.72 52.97 1myj n HIS 81 Cb 0.00 -1.83 0.01 0.00 0.12 0.00 0.00 29.99 28.29 1myj n HIS 81 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1myj n HIS 82 N 3.38 0.01 -0.32 -1.40 1.44 -1.26 -4.79 115.22 112.27 1myj n HIS 82 Ca 0.38 -0.08 0.15 0.00 -2.01 0.00 0.00 57.72 56.16 1myj n HIS 82 Cb 0.35 -0.01 0.30 0.00 0.12 0.00 0.00 29.99 30.76 1myj n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1myj h GLU 83 N 0.33 0.06 0.00 -1.40 3.07 -1.97 0.33 114.58 115.00 1myj h GLU 83 Ca 0.00 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1myj h GLU 83 Cb 0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1myj h GLU 83 CO 0.00 0.04 -0.20 0.00 -1.40 0.00 0.00 179.01 177.45 1myj h ALA 84 N 1.91 0.91 0.18 3.43 0.00 -1.97 -2.76 119.26 120.95 1myj h ALA 84 Ca 0.59 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 55.01 1myj h ALA 84 Cb 1.24 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1myj h ALA 84 CO -0.82 0.25 -1.37 0.93 0.00 0.00 0.00 179.25 178.25 1myj h GLU 85 N 0.00 0.37 -0.40 0.00 3.07 -1.57 -3.31 114.58 112.75 1myj h GLU 85 Ca -0.00 -0.64 -0.16 0.00 -0.50 0.00 0.00 59.36 58.06 1myj h GLU 85 Cb 0.98 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1myj h GLU 85 CO 0.03 1.30 -0.37 -0.07 -1.40 0.00 0.00 179.01 178.50 1myj h LEU 86 N 0.10 1.01 -0.95 1.33 4.07 -0.89 -3.32 115.31 116.66 1myj h LEU 86 Ca -0.19 -0.46 0.10 0.00 0.08 0.00 0.00 57.88 57.40 1myj h LEU 86 Cb 2.05 -0.28 -0.12 0.00 1.08 0.00 0.00 40.66 43.39 1myj h LEU 86 CO 0.23 1.26 -0.55 0.74 -1.08 0.00 0.00 178.44 179.03 1myj h THR 87 N 0.77 0.00 -0.64 0.22 2.02 -1.58 0.26 112.91 113.97 1myj h THR 87 Ca 0.07 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.35 1myj h THR 87 Cb 0.96 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1myj h THR 87 CO 0.09 0.00 0.43 1.55 0.37 0.00 0.00 175.52 177.96 1myj h PRO 88 N -0.03 0.45 -0.06 6.66 0.13 -1.75 -1.64 132.00 135.76 1myj h PRO 88 Ca 0.18 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.08 1myj h PRO 88 Cb 0.46 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.50 1myj h PRO 88 CO -0.92 0.30 -0.76 1.25 -0.23 0.00 0.00 178.00 177.65 1myj h LEU 89 N 0.47 0.77 -0.09 1.56 6.46 -0.84 -2.35 115.31 121.29 1myj h LEU 89 Ca 0.30 -0.70 0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1myj h LEU 89 Cb 0.54 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1myj h LEU 89 CO -0.09 1.36 0.03 0.00 -0.62 0.00 0.00 178.44 179.11 1myj h ALA 90 N 0.43 0.09 -0.50 1.25 0.00 -0.21 -2.29 119.26 118.04 1myj h ALA 90 Ca -0.08 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1myj h ALA 90 Cb 1.42 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 1myj h ALA 90 CO 0.15 -0.44 -0.12 0.37 0.00 0.00 0.00 179.25 179.21 1myj h GLN 91 N 0.07 -0.00 0.04 0.00 4.15 -1.35 0.42 115.11 118.44 1myj h GLN 91 Ca 0.04 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.22 1myj h GLN 91 Cb 0.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1myj h GLN 91 CO -0.04 -0.00 -1.15 0.66 -1.93 0.00 0.00 178.83 176.37 1myj h SER 92 N -0.00 0.14 0.84 -0.69 4.64 -1.32 -2.38 113.55 114.77 1myj h SER 92 Ca 0.24 -0.16 -0.24 0.00 -0.47 0.00 0.00 61.79 61.16 1myj h SER 92 Cb 0.36 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1myj h SER 92 CO -0.51 1.13 -1.18 0.45 -0.87 0.00 0.00 176.83 175.85 1myj h HIS 93 N 0.02 0.09 0.26 4.77 3.86 -1.20 0.89 115.15 123.85 1myj h HIS 93 Ca -0.08 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1myj h HIS 93 Cb 1.86 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.33 1myj h HIS 93 CO 0.02 1.06 -0.13 0.00 0.86 0.00 0.00 177.93 179.75 1myj h ALA 94 N 0.91 -0.35 -0.08 2.45 0.00 -0.16 0.18 119.26 122.20 1myj h ALA 94 Ca -0.09 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 1myj h ALA 94 Cb 1.85 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.79 1myj h ALA 94 CO 0.13 -0.33 -0.82 1.15 0.00 0.00 0.00 179.25 179.38 1myj h THR 95 N -1.09 1.30 0.00 0.00 2.02 -1.56 -3.06 112.91 110.52 1myj h THR 95 Ca -0.04 -2.06 -0.17 0.00 0.77 0.00 0.00 66.41 64.92 1myj h THR 95 Cb 0.30 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1myj h THR 95 CO 0.06 0.64 -1.45 1.17 0.37 0.00 0.00 175.52 176.31 1myj n LYS 96 N -3.97 0.25 0.04 6.66 4.81 -0.88 -4.59 118.16 120.48 1myj n LYS 96 Ca -0.09 0.11 0.04 0.00 -0.87 0.00 0.00 58.31 57.49 1myj n LYS 96 Cb 0.77 -0.92 -0.07 0.00 0.02 0.00 0.00 35.03 34.84 1myj n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1myj n HIS 97 N -3.60 0.87 -3.41 5.64 8.25 0.31 -5.01 115.22 118.26 1myj n HIS 97 Ca -0.20 0.28 -0.19 0.00 -0.26 0.00 0.00 57.72 57.34 1myj n HIS 97 Cb 0.59 -1.01 0.06 0.00 1.12 0.00 0.00 29.99 30.76 1myj n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1myj n LYS 98 N -2.78 -3.15 -3.34 -0.41 4.76 0.44 -4.98 118.16 108.70 1myj n LYS 98 Ca -0.08 0.76 -0.42 0.00 -2.87 0.00 0.00 58.31 55.71 1myj n LYS 98 Cb 0.75 -5.46 -0.09 0.00 -1.84 0.00 0.00 35.03 28.39 1myj n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1myj s ILE 99 N -3.43 5.10 0.75 -0.18 -1.09 -0.15 -5.02 121.20 117.19 1myj s ILE 99 Ca 0.33 -0.22 -0.15 0.00 -2.23 0.00 0.00 60.65 58.38 1myj s ILE 99 Cb -0.06 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1myj s ILE 99 CO 0.77 -0.33 0.96 -2.65 -1.23 0.00 0.00 174.94 172.46 1myj n PRO 100 N 5.55 0.38 0.29 2.79 -0.02 -1.26 -4.69 135.00 138.03 1myj n PRO 100 Ca -0.08 0.19 0.19 0.00 -2.02 0.00 0.00 63.50 61.78 1myj n PRO 100 Cb 0.48 -2.23 0.83 0.00 -0.02 0.00 0.00 33.50 32.57 1myj n PRO 100 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1myj h VAL 101 N -0.48 0.00 0.00 -1.45 -1.51 -1.98 -2.14 116.25 108.69 1myj h VAL 101 Ca -0.47 -0.36 -0.07 0.00 -1.23 0.00 0.00 66.70 64.57 1myj h VAL 101 Cb 1.32 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 1myj h VAL 101 CO 0.46 0.00 -0.33 0.50 -1.23 0.00 0.00 177.57 176.97 1myj h LYS 102 N 0.00 0.00 0.00 5.19 3.11 -1.90 -1.34 116.57 121.63 1myj h LYS 102 Ca 0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1myj h LYS 102 Cb 0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1myj h LYS 102 CO 0.00 0.33 -0.25 1.88 -2.81 0.00 0.00 179.45 178.59 1myj h TYR 103 N 0.00 0.00 -0.40 1.91 -1.99 -1.74 -0.02 116.97 114.73 1myj h TYR 103 Ca -0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1myj h TYR 103 Cb 0.71 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.42 1myj h TYR 103 CO 0.00 0.25 0.07 -0.07 -0.00 0.00 0.00 178.16 178.41 1myj h LEU 104 N 0.00 0.55 -0.09 3.88 3.38 -1.29 -1.82 115.31 119.92 1myj h LEU 104 Ca -0.00 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.63 1myj h LEU 104 Cb 0.56 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1myj h LEU 104 CO 0.03 0.58 -1.03 -0.08 0.09 0.00 0.00 178.44 178.04 1myj h GLU 105 N 0.58 0.43 -0.78 1.13 4.81 -0.82 -2.34 114.58 117.59 1myj h GLU 105 Ca 0.13 -0.50 0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1myj h GLU 105 Cb 0.27 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1myj h GLU 105 CO 0.00 1.16 0.51 0.74 -0.73 0.00 0.00 179.01 180.70 1myj h PHE 106 N 0.22 0.97 0.00 0.92 0.04 -0.70 -1.95 116.94 116.44 1myj h PHE 106 Ca -0.10 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.58 1myj h PHE 106 Cb 1.68 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.49 1myj h PHE 106 CO 0.07 0.60 -0.55 0.97 -0.60 0.00 0.00 178.31 178.80 1myj h ILE 107 N 1.04 1.18 -0.45 -0.55 2.10 -1.35 -1.86 117.51 117.62 1myj h ILE 107 Ca 0.29 -2.02 -0.05 0.00 1.08 0.00 0.00 64.86 64.15 1myj h ILE 107 Cb -0.10 2.16 -0.02 0.00 -1.09 0.00 0.00 36.82 37.77 1myj h ILE 107 CO -0.07 0.54 0.07 0.28 -1.08 0.00 0.00 178.15 177.88 1myj h SER 108 N 0.00 0.72 -0.59 2.19 0.02 -1.03 -0.47 113.55 114.39 1myj h SER 108 Ca -0.01 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 1myj h SER 108 Cb 1.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1myj h SER 108 CO 0.07 0.80 0.13 -0.33 -1.14 0.00 0.00 176.83 176.36 1myj h GLU 109 N 0.62 0.96 -0.75 3.45 5.08 -1.09 -2.44 114.58 120.41 1myj h GLU 109 Ca 0.14 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1myj h GLU 109 Cb 0.39 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1myj h GLU 109 CO 0.01 0.90 0.49 0.00 -1.00 0.00 0.00 179.01 179.41 1myj h ALA 110 N 1.03 1.46 -0.34 3.43 0.00 -0.81 -0.22 119.26 123.81 1myj h ALA 110 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1myj h ALA 110 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1myj h ALA 110 CO 0.01 0.50 0.17 0.82 0.00 0.00 0.00 179.25 180.74 1myj h ILE 111 N 1.01 1.15 -0.16 0.00 2.04 -0.74 -0.67 117.51 120.15 1myj h ILE 111 Ca 0.27 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1myj h ILE 111 Cb -0.11 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1myj h ILE 111 CO -0.06 0.16 0.06 0.40 0.00 0.00 0.00 178.15 178.71 1myj h ILE 112 N 0.41 1.16 -0.74 -0.67 2.04 -1.16 -1.21 117.51 117.34 1myj h ILE 112 Ca 0.12 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1myj h ILE 112 Cb 0.10 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1myj h ILE 112 CO -0.02 0.15 0.49 1.56 0.00 0.00 0.00 178.15 180.33 1myj h GLN 113 N 0.09 0.89 -0.37 2.37 4.20 -0.72 -1.39 115.11 120.19 1myj h GLN 113 Ca 0.05 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1myj h GLN 113 Cb 0.18 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1myj h GLN 113 CO -0.00 0.59 -0.38 0.28 -0.67 0.00 0.00 178.83 178.65 1myj h VAL 114 N 0.92 1.27 -0.75 -0.54 2.07 -0.89 -0.75 116.25 117.59 1myj h VAL 114 Ca 0.29 -1.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 1myj h VAL 114 Cb 0.03 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1myj h VAL 114 CO -0.08 0.52 0.23 -0.07 0.02 0.00 0.00 177.57 178.19 1myj h LEU 115 N 0.73 1.09 -0.43 2.57 3.38 -0.90 0.65 115.31 122.39 1myj h LEU 115 Ca 0.06 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1myj h LEU 115 Cb 0.97 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1myj h LEU 115 CO 0.09 1.01 -0.00 -0.61 0.09 0.00 0.00 178.44 179.02 1myj h GLN 116 N 1.11 0.75 -0.04 1.13 5.75 -1.11 0.43 115.11 123.13 1myj h GLN 116 Ca 0.24 -0.24 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 1myj h GLN 116 Cb 0.31 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.80 1myj h GLN 116 CO -0.01 0.83 -0.58 0.77 -2.65 0.00 0.00 178.83 177.20 1myj h SER 117 N 0.59 0.58 1.32 -0.69 0.02 -0.88 -3.19 113.55 111.31 1myj h SER 117 Ca 0.12 -0.71 -0.08 0.00 -0.84 0.00 0.00 61.79 60.28 1myj h SER 117 Cb 0.49 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1myj h SER 117 CO 0.02 1.21 -0.70 0.11 -1.14 0.00 0.00 176.83 176.33 1myj h LYS 118 N 0.01 0.00 -1.69 3.45 1.57 0.40 -3.41 116.57 116.90 1myj h LYS 118 Ca -0.06 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.27 1myj h LYS 118 Cb 1.26 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.16 1myj h LYS 118 CO 0.12 0.26 -1.14 0.72 -0.57 0.00 0.00 179.45 178.83 1myj n HIS 119 N -3.02 0.89 -0.16 -1.35 8.25 0.15 -4.95 115.22 115.02 1myj n HIS 119 Ca -0.01 -3.48 0.14 0.00 -0.26 0.00 0.00 57.72 54.12 1myj n HIS 119 Cb 0.68 -0.40 0.49 0.00 1.12 0.00 0.00 29.99 31.88 1myj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myj h PRO 120 N 2.98 0.44 0.05 -0.41 0.13 -1.68 0.30 132.00 133.81 1myj h PRO 120 Ca 0.05 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.92 1myj h PRO 120 Cb 1.00 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1myj h PRO 120 CO 0.54 0.29 -1.04 0.78 -0.23 0.00 0.00 178.00 178.33 1myj h GLY 121 N 0.45 0.18 0.92 1.56 0.00 -1.92 -3.20 103.07 101.06 1myj h GLY 121 Ca 0.36 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1myj h GLY 121 CO -0.12 0.35 -1.33 1.22 0.00 0.00 0.00 176.54 176.67 1myj n ASP 122 N -3.51 0.80 -3.85 0.19 8.00 -0.19 -4.56 116.55 113.42 1myj n ASP 122 Ca -0.04 0.34 -0.42 0.00 0.71 0.00 0.00 54.79 55.37 1myj n ASP 122 Cb 0.93 0.35 0.01 0.00 -0.02 0.00 0.00 41.12 42.38 1myj n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1myj n PHE 123 N -2.79 2.49 -0.99 1.24 7.35 0.88 -4.79 117.46 120.85 1myj n PHE 123 Ca -0.07 -2.62 0.00 0.00 -0.76 0.00 0.00 57.45 54.00 1myj n PHE 123 Cb 0.74 -1.40 0.00 0.00 0.35 0.00 0.00 39.48 39.17 1myj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myj n GLY 124 N 1.25 -0.60 0.10 7.13 0.00 -1.26 -4.65 105.19 107.16 1myj n GLY 124 Ca 0.36 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 1myj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myj h ALA 125 N -1.71 0.21 -0.19 4.61 0.00 -1.96 0.17 119.26 120.39 1myj h ALA 125 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1myj h ALA 125 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1myj h ALA 125 CO 0.00 -0.35 -0.06 -0.44 0.00 0.00 0.00 179.25 178.40 1myj h ASP 126 N 0.18 0.39 -0.65 0.00 3.32 -1.97 -1.15 116.42 116.54 1myj h ASP 126 Ca 0.08 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1myj h ASP 126 Cb 0.03 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1myj h ASP 126 CO -0.07 0.68 0.27 0.00 -1.72 0.00 0.00 179.24 178.41 1myj h ALA 127 N 0.72 1.21 0.07 3.45 0.00 -1.80 -2.43 119.26 120.48 1myj h ALA 127 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1myj h ALA 127 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1myj h ALA 127 CO 0.02 0.58 -0.03 1.96 0.00 0.00 0.00 179.25 181.78 1myj h GLN 128 N 0.97 -0.08 -0.85 0.00 4.20 -0.59 0.41 115.11 119.16 1myj h GLN 128 Ca 0.23 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1myj h GLN 128 Cb 0.18 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1myj h GLN 128 CO -0.02 -0.04 0.54 0.78 -0.67 0.00 0.00 178.83 179.42 1myj h GLY 129 N -0.10 1.21 0.85 3.46 0.00 -0.91 -0.56 103.07 107.02 1myj h GLY 129 Ca -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1myj h GLY 129 CO 0.01 0.47 0.02 0.00 0.00 0.00 0.00 176.54 177.04 1myj h ALA 130 N 1.43 0.31 -0.65 3.60 0.00 -1.21 -0.98 119.26 121.77 1myj h ALA 130 Ca 0.31 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1myj h ALA 130 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1myj h ALA 130 CO -0.06 0.00 0.14 1.98 0.00 0.00 0.00 179.25 181.31 1myj h MET 131 N 0.18 1.05 -0.49 0.00 -1.53 -0.76 -1.78 114.93 111.61 1myj h MET 131 Ca 0.07 -0.27 -0.07 0.00 -3.44 0.00 0.00 59.70 55.99 1myj h MET 131 Cb 0.35 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.25 1myj h MET 131 CO 0.01 0.96 0.02 0.77 0.14 0.00 0.00 176.91 178.80 1myj h SER 132 N 0.97 0.76 -0.42 1.39 0.02 -0.92 -1.82 113.55 113.53 1myj h SER 132 Ca 0.20 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1myj h SER 132 Cb 0.39 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1myj h SER 132 CO 0.01 0.82 0.10 0.11 -1.14 0.00 0.00 176.83 176.73 1myj h LYS 133 N 0.75 0.74 -0.48 3.45 1.57 -0.80 -0.87 116.57 120.94 1myj h LYS 133 Ca 0.15 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1myj h LYS 133 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1myj h LYS 133 CO 0.02 0.69 -0.19 0.00 -0.57 0.00 0.00 179.45 179.39 1myj h ALA 134 N 1.40 0.66 0.02 3.86 0.00 -0.84 -0.27 119.26 124.09 1myj h ALA 134 Ca 0.16 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1myj h ALA 134 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1myj h ALA 134 CO 0.00 0.63 -0.98 -0.07 0.00 0.00 0.00 179.25 178.83 1myj h LEU 135 N 0.82 0.09 -0.68 0.00 3.38 -1.28 -2.23 115.31 115.42 1myj h LEU 135 Ca 0.11 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1myj h LEU 135 Cb 0.76 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1myj h LEU 135 CO 0.06 1.02 -0.19 -0.08 0.09 0.00 0.00 178.44 179.34 1myj h GLU 136 N 0.02 0.82 -0.28 1.13 4.81 -0.97 -0.75 114.58 119.37 1myj h GLU 136 Ca -0.03 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1myj h GLU 136 Cb 1.70 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 1myj h GLU 136 CO 0.14 0.95 -0.02 1.25 -0.73 0.00 0.00 179.01 180.59 1myj h LEU 137 N 0.72 0.51 -0.21 1.64 5.85 -0.99 -0.91 115.31 121.92 1myj h LEU 137 Ca 0.11 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1myj h LEU 137 Cb 0.71 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1myj h LEU 137 CO 0.05 0.71 -0.15 0.15 -0.34 0.00 0.00 178.44 178.87 1myj h PHE 138 N 0.29 -0.36 -0.35 1.25 3.57 -1.20 0.15 116.94 120.29 1myj h PHE 138 Ca 0.08 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1myj h PHE 138 Cb 0.47 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1myj h PHE 138 CO 0.04 -0.21 -0.22 -0.09 -2.23 0.00 0.00 178.31 175.59 1myj h ARG 139 N -0.14 0.68 -0.17 1.11 2.43 -1.00 0.27 114.38 117.57 1myj h ARG 139 Ca 0.12 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1myj h ARG 139 Cb 0.32 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1myj h ARG 139 CO -0.30 0.85 0.01 -0.91 -1.51 0.00 0.00 179.97 178.11 1myj h ASN 140 N 0.60 0.27 -0.67 -3.80 -0.26 -0.81 -1.36 115.58 109.54 1myj h ASN 140 Ca 0.09 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 1myj h ASN 140 Cb 0.70 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.85 1myj h ASN 140 CO 0.05 0.49 0.44 0.44 -1.06 0.00 0.00 177.43 177.79 1myj h ASP 141 N 0.05 0.78 -0.35 5.81 3.32 -0.25 -2.43 116.42 123.35 1myj h ASP 141 Ca 0.05 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1myj h ASP 141 Cb 0.34 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1myj h ASP 141 CO 0.01 0.58 0.21 0.24 -1.72 0.00 0.00 179.24 178.55 1myj h MET 142 N 0.92 0.47 -0.65 3.56 2.86 -0.73 -2.13 114.93 119.22 1myj h MET 142 Ca 0.25 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1myj h MET 142 Cb -0.09 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 1myj h MET 142 CO -0.05 0.35 0.16 0.00 1.06 0.00 0.00 176.91 178.43 1myj h ALA 143 N 1.09 1.05 -0.47 6.32 0.00 -1.07 -0.43 119.26 125.76 1myj h ALA 143 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1myj h ALA 143 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1myj h ALA 143 CO -0.02 0.62 0.24 0.00 0.00 0.00 0.00 179.25 180.09 1myj h ALA 144 N 1.19 0.60 -0.60 0.00 0.00 -1.38 -1.87 119.26 117.20 1myj h ALA 144 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1myj h ALA 144 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1myj h ALA 144 CO 0.00 0.14 0.14 0.87 0.00 0.00 0.00 179.25 180.40 1myj h LYS 145 N 0.61 0.96 -0.97 0.00 1.79 -0.93 -2.49 116.57 115.55 1myj h LYS 145 Ca 0.16 -0.24 0.12 0.00 -2.18 0.00 0.00 60.65 58.51 1myj h LYS 145 Cb 0.09 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.54 1myj h LYS 145 CO -0.02 0.89 0.61 1.88 -1.08 0.00 0.00 179.45 181.73 1myj h TYR 146 N 0.87 1.07 0.05 -1.35 -1.99 -0.76 -2.62 116.97 112.23 1myj h TYR 146 Ca 0.19 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.94 1myj h TYR 146 Cb 0.36 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.75 1myj h TYR 146 CO 0.03 0.44 -0.02 -0.22 -0.00 0.00 0.00 178.16 178.38 1myj h LYS 147 N 0.94 -0.06 0.00 4.88 3.64 -1.17 1.14 116.57 125.94 1myj h LYS 147 Ca 0.47 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.82 1myj h LYS 147 Cb 0.48 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1myj h LYS 147 CO -0.23 0.07 -0.14 1.05 -2.27 0.00 0.00 179.45 177.93 1myj h GLU 148 N -0.19 0.00 -0.00 1.90 4.11 -1.10 -0.88 114.58 118.43 1myj h GLU 148 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1myj h GLU 148 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1myj h GLU 148 CO 0.01 0.14 -0.23 1.28 0.07 0.00 0.00 179.01 180.28 1myj n LEU 149 N -3.61 0.25 0.00 3.06 4.77 -1.04 -4.92 117.00 115.51 1myj n LEU 149 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1myj n LEU 149 Cb 0.27 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1myj n LEU 149 CO 0.31 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1myj n GLY 150 N 1.49 0.82 3.93 -0.72 0.00 -0.33 -5.08 105.19 105.29 1myj n GLY 150 Ca 0.07 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1myj n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1myj s PHE 151 N -2.00 1.92 -1.01 1.61 0.40 0.39 -4.97 117.98 114.33 1myj s PHE 151 Ca 0.00 -0.70 -0.21 0.00 -0.60 0.00 0.00 56.93 55.43 1myj s PHE 151 Cb 0.00 -2.08 -0.10 0.00 0.51 0.00 0.00 43.02 41.36 1myj s PHE 151 CO 0.00 -0.54 1.96 0.94 0.70 0.00 0.00 175.22 178.28 1myj n GLN 152 N -1.83 1.87 0.00 0.44 7.27 -1.26 -3.90 117.38 119.97 1myj n GLN 152 Ca 0.05 -2.20 0.00 0.00 0.07 0.00 0.00 57.00 54.92 1myj n GLN 152 Cb 0.63 -3.18 0.00 0.00 2.41 0.00 0.00 30.24 30.09 1myj n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54