#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y09 s LEU 2 N 0.00 4.33 0.68 -0.89 1.43 -1.26 -5.04 118.68 117.93 1y09 s LEU 2 Ca 0.00 1.98 -0.07 0.00 -1.03 0.00 0.00 54.13 55.01 1y09 s LEU 2 Cb 0.00 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.70 1y09 s LEU 2 CO 0.00 -0.55 1.00 -0.94 0.23 0.00 0.00 176.35 176.09 1y09 s SER 3 N 1.31 4.99 0.21 2.29 1.04 -1.26 -4.90 113.70 117.37 1y09 s SER 3 Ca 0.59 0.54 -0.10 0.00 0.48 0.00 0.00 55.95 57.46 1y09 s SER 3 Cb -0.29 -1.26 0.20 0.00 0.10 0.00 0.00 66.02 64.77 1y09 s SER 3 CO 0.27 -1.49 1.84 -0.65 0.98 0.00 0.00 173.24 174.19 1y09 h PRO 4 N -0.53 0.80 -0.55 4.02 0.11 -2.00 -1.79 132.00 132.06 1y09 h PRO 4 Ca -0.45 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1y09 h PRO 4 Cb 1.30 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1y09 h PRO 4 CO 0.61 0.53 0.31 0.00 -0.21 0.00 0.00 178.00 179.23 1y09 h ALA 5 N 1.31 0.72 -0.33 -0.75 0.00 -1.99 -2.23 119.26 115.98 1y09 h ALA 5 Ca 0.29 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1y09 h ALA 5 Cb 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1y09 h ALA 5 CO -0.12 -0.01 0.02 -0.44 0.00 0.00 0.00 179.25 178.70 1y09 h ASP 6 N 0.60 -0.09 -0.29 0.00 3.32 -1.75 0.16 116.42 118.36 1y09 h ASP 6 Ca 0.24 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1y09 h ASP 6 Cb 0.10 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1y09 h ASP 6 CO -0.14 -0.01 0.19 0.11 -1.72 0.00 0.00 179.24 177.67 1y09 h LYS 7 N 0.12 0.39 -0.26 3.56 1.57 -0.81 0.95 116.57 122.10 1y09 h LYS 7 Ca 0.16 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1y09 h LYS 7 Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1y09 h LYS 7 CO -0.25 0.27 0.15 1.15 -0.57 0.00 0.00 179.45 180.20 1y09 h THR 8 N 0.39 1.03 -0.27 -0.16 2.02 -1.24 0.19 112.91 114.87 1y09 h THR 8 Ca 0.11 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1y09 h THR 8 Cb -0.03 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1y09 h THR 8 CO -0.02 0.06 0.09 0.78 0.37 0.00 0.00 175.52 176.80 1y09 h ASN 9 N 0.31 0.09 0.09 4.18 2.35 0.14 -1.27 115.58 121.48 1y09 h ASN 9 Ca 0.10 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1y09 h ASN 9 Cb -0.01 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1y09 h ASN 9 CO -0.04 0.09 -0.06 0.58 -1.65 0.00 0.00 177.43 176.34 1y09 h VAL 10 N 0.21 0.86 -0.94 2.81 2.07 -0.33 -1.54 116.25 119.39 1y09 h VAL 10 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1y09 h VAL 10 Cb 0.09 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1y09 h VAL 10 CO -0.13 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.19 1y09 h LYS 11 N -0.15 1.09 0.30 1.57 1.57 -0.42 -0.66 116.57 119.86 1y09 h LYS 11 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1y09 h LYS 11 Cb 0.14 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1y09 h LYS 11 CO 0.00 0.72 -0.14 0.00 -0.57 0.00 0.00 179.45 179.46 1y09 h ALA 12 N 1.48 -0.40 -0.72 3.86 0.00 -0.85 0.26 119.26 122.88 1y09 h ALA 12 Ca 0.40 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1y09 h ALA 12 Cb 0.13 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1y09 h ALA 12 CO -0.14 -0.60 0.45 0.00 0.00 0.00 0.00 179.25 178.95 1y09 h ALA 13 N -0.04 0.95 0.00 0.00 0.00 -1.02 -0.41 119.26 118.74 1y09 h ALA 13 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1y09 h ALA 13 Cb 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1y09 h ALA 13 CO 0.07 0.23 -0.08 2.35 0.00 0.00 0.00 179.25 181.81 1y09 h TRP 14 N 0.88 0.00 -0.82 0.00 2.91 -1.04 -1.87 115.95 116.01 1y09 h TRP 14 Ca 0.29 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.33 1y09 h TRP 14 Cb 0.03 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.63 1y09 h TRP 14 CO -0.04 0.08 0.53 0.78 -1.03 0.00 0.00 178.44 178.77 1y09 h GLY 15 N 2.26 1.17 1.79 2.65 0.00 0.13 -2.72 103.07 108.34 1y09 h GLY 15 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1y09 h GLY 15 CO 0.01 0.38 -0.21 0.50 0.00 0.00 0.00 176.54 177.22 1y09 h LYS 16 N 1.07 0.00 -0.79 4.80 1.79 -0.99 -2.80 116.57 119.66 1y09 h LYS 16 Ca 0.31 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.83 1y09 h LYS 16 Cb -0.06 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.55 1y09 h LYS 16 CO -0.09 0.00 0.52 0.28 -1.08 0.00 0.00 179.45 179.08 1y09 h VAL 17 N 0.00 1.09 0.00 0.50 2.07 -1.15 -3.45 116.25 115.31 1y09 h VAL 17 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1y09 h VAL 17 Cb 0.96 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1y09 h VAL 17 CO 0.00 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1y09 n GLY 18 N -1.42 2.00 0.53 2.17 0.00 -1.06 -1.44 105.19 105.97 1y09 n GLY 18 Ca 0.11 0.43 0.13 0.00 0.00 0.00 0.00 46.02 46.69 1y09 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y09 n ALA 19 N 9.24 2.64 1.18 4.61 0.00 -1.26 -3.68 120.51 133.24 1y09 n ALA 19 Ca 0.00 -0.48 0.14 0.00 0.00 0.00 0.00 53.44 53.10 1y09 n ALA 19 Cb 0.00 -1.10 0.62 0.00 0.00 0.00 0.00 19.45 18.97 1y09 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y09 n HIS 20 N 0.26 0.00 -0.34 0.00 8.25 -0.52 -4.52 115.22 118.35 1y09 n HIS 20 Ca 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.60 1y09 n HIS 20 Cb 0.40 -0.36 0.01 0.00 1.12 0.00 0.00 29.99 31.15 1y09 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y09 n ALA 21 N -1.36 -0.20 -0.32 -1.41 0.00 -1.24 -0.38 120.51 115.60 1y09 n ALA 21 Ca 0.10 0.83 0.02 0.00 0.00 0.00 0.00 53.44 54.40 1y09 n ALA 21 Cb 0.30 -0.33 0.17 0.00 0.00 0.00 0.00 19.45 19.59 1y09 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1y09 h GLY 22 N 0.00 1.37 1.19 0.00 0.00 -1.84 0.20 103.07 103.99 1y09 h GLY 22 Ca 0.26 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1y09 h GLY 22 CO -0.85 0.22 -0.11 0.83 0.00 0.00 0.00 176.54 176.63 1y09 h GLU 23 N 0.95 0.95 -0.24 4.80 5.08 -1.01 -2.15 114.58 122.95 1y09 h GLU 23 Ca 0.40 -0.34 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 1y09 h GLU 23 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1y09 h GLU 23 CO -0.21 1.00 -0.58 1.88 -1.00 0.00 0.00 179.01 180.10 1y09 h TYR 24 N 0.84 1.06 -0.56 4.33 0.05 -0.35 -0.78 116.97 121.56 1y09 h TYR 24 Ca 0.13 -0.40 0.09 0.00 0.05 0.00 0.00 58.73 58.60 1y09 h TYR 24 Cb 0.65 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 38.14 1y09 h TYR 24 CO 0.04 1.23 0.18 0.78 -1.05 0.00 0.00 178.16 179.34 1y09 h GLY 25 N 0.59 0.75 0.94 3.88 0.00 -0.55 0.84 103.07 109.52 1y09 h GLY 25 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1y09 h GLY 25 CO 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 176.54 176.58 1y09 h ALA 26 N 1.40 0.50 -0.61 3.60 0.00 -1.25 -1.93 119.26 120.97 1y09 h ALA 26 Ca 0.28 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1y09 h ALA 26 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1y09 h ALA 26 CO -0.30 0.33 0.39 1.49 0.00 0.00 0.00 179.25 181.16 1y09 h GLU 27 N 0.49 0.77 -0.85 0.00 4.81 -0.59 -0.93 114.58 118.28 1y09 h GLU 27 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1y09 h GLU 27 Cb 0.56 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1y09 h GLU 27 CO 0.03 0.51 0.53 0.00 -0.73 0.00 0.00 179.01 179.35 1y09 h ALA 28 N 1.24 1.08 -0.17 2.92 0.00 -0.50 0.17 119.26 123.99 1y09 h ALA 28 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1y09 h ALA 28 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1y09 h ALA 28 CO -0.06 0.52 0.06 -0.07 0.00 0.00 0.00 179.25 179.70 1y09 h LEU 29 N 1.16 0.25 -0.85 0.00 3.38 -0.97 -0.34 115.31 117.94 1y09 h LEU 29 Ca 0.31 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1y09 h LEU 29 Cb -0.07 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1y09 h LEU 29 CO -0.06 0.37 0.56 -0.08 0.09 0.00 0.00 178.44 179.32 1y09 h GLU 30 N 0.11 1.10 -0.69 1.13 4.81 -0.71 -0.32 114.58 120.01 1y09 h GLU 30 Ca 0.06 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1y09 h GLU 30 Cb 0.20 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1y09 h GLU 30 CO -0.00 0.73 0.45 0.00 -0.73 0.00 0.00 179.01 179.46 1y09 h ARG 31 N 1.14 0.89 -0.34 1.92 3.08 -0.10 -2.60 114.38 118.37 1y09 h ARG 31 Ca 0.32 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1y09 h ARG 31 Cb -0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1y09 h ARG 31 CO -0.08 0.59 0.18 1.98 -1.07 0.00 0.00 179.97 181.57 1y09 h MET 32 N 0.92 0.48 -0.75 0.04 4.05 -0.03 -0.50 114.93 119.14 1y09 h MET 32 Ca 0.25 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 1y09 h MET 32 Cb -0.09 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.57 1y09 h MET 32 CO -0.06 0.42 0.50 0.74 0.23 0.00 0.00 176.91 178.74 1y09 h PHE 33 N 0.42 0.88 0.16 1.39 0.04 -1.02 0.94 116.94 119.75 1y09 h PHE 33 Ca 0.12 0.02 -0.24 0.00 2.80 0.00 0.00 57.97 60.67 1y09 h PHE 33 Cb 0.09 -0.29 0.02 0.00 2.20 0.00 0.00 35.95 37.96 1y09 h PHE 33 CO -0.02 0.51 -1.08 -0.07 -0.60 0.00 0.00 178.31 177.04 1y09 h LEU 34 N 0.91 0.53 -0.21 1.54 3.38 -1.27 -3.29 115.31 116.90 1y09 h LEU 34 Ca 0.30 -0.93 -0.21 0.00 0.09 0.00 0.00 57.88 57.13 1y09 h LEU 34 Cb 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1y09 h LEU 34 CO -0.09 1.51 -0.92 0.28 0.09 0.00 0.00 178.44 179.31 1y09 h SER 35 N -0.25 0.39 -2.55 -0.43 0.02 -1.04 -3.39 113.55 106.30 1y09 h SER 35 Ca -0.20 -0.32 -0.60 0.00 -0.84 0.00 0.00 61.79 59.83 1y09 h SER 35 Cb 1.78 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 63.79 1y09 h SER 35 CO 0.16 1.13 -0.74 0.49 -1.14 0.00 0.00 176.83 176.72 1y09 n PHE 36 N -3.69 1.92 0.28 3.45 3.72 0.32 -4.98 117.46 118.47 1y09 n PHE 36 Ca -0.05 -3.95 0.18 0.00 -0.05 0.00 0.00 57.45 53.58 1y09 n PHE 36 Cb 0.83 -0.37 0.94 0.00 -0.94 0.00 0.00 39.48 39.93 1y09 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y09 h PRO 37 N 4.95 0.00 0.00 -1.08 0.11 -1.74 0.22 132.00 134.45 1y09 h PRO 37 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1y09 h PRO 37 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1y09 h PRO 37 CO 0.63 0.00 -0.00 1.79 -0.21 0.00 0.00 178.00 180.21 1y09 h THR 38 N 0.00 0.01 0.00 -1.15 1.35 -1.91 -1.59 112.91 109.62 1y09 h THR 38 Ca 0.04 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1y09 h THR 38 Cb 0.40 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1y09 h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1y09 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.26 -2.12 112.91 117.70 1y09 h THR 39 Ca -0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1y09 h THR 39 Cb 0.15 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1y09 h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1y09 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.47 -2.61 116.57 118.78 1y09 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y09 h LYS 40 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1y09 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1y09 h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.57 -1.12 112.91 111.40 1y09 h THR 41 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1y09 h THR 41 Cb 0.07 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1y09 h THR 41 CO 0.00 0.00 -0.18 -1.22 -0.25 0.00 0.00 175.52 173.87 1y09 n TYR 42 N -2.86 0.00 -2.72 4.73 4.01 -0.98 -4.29 117.16 115.05 1y09 n TYR 42 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1y09 n TYR 42 Cb 0.14 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1y09 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y09 n PHE 43 N -0.55 1.83 0.25 -0.72 3.01 -0.42 -4.86 117.46 116.01 1y09 n PHE 43 Ca 0.14 -3.15 0.11 0.00 1.01 0.00 0.00 57.45 55.56 1y09 n PHE 43 Cb 0.33 -0.32 0.68 0.00 -0.01 0.00 0.00 39.48 40.16 1y09 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y09 h PRO 44 N 2.89 0.00 0.00 -1.08 0.13 -1.75 -2.69 132.00 129.50 1y09 h PRO 44 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1y09 h PRO 44 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1y09 h PRO 44 CO 0.62 0.13 0.00 -2.39 -0.23 0.00 0.00 178.00 176.12 1y09 n HIS 45 N -3.88 0.00 -3.73 1.56 1.44 -1.26 -4.87 115.22 104.47 1y09 n HIS 45 Ca -0.02 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.41 1y09 n HIS 45 Cb 0.22 -0.43 -0.03 0.00 0.12 0.00 0.00 29.99 29.87 1y09 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y09 s PHE 46 N -2.86 3.48 -0.23 -1.40 0.40 -1.02 -5.07 117.98 111.29 1y09 s PHE 46 Ca 0.17 0.34 -0.26 0.00 -0.60 0.00 0.00 56.93 56.57 1y09 s PHE 46 Cb 0.17 -1.84 -0.00 0.00 0.51 0.00 0.00 43.02 41.86 1y09 s PHE 46 CO 0.45 0.41 0.90 0.34 0.70 0.00 0.00 175.22 178.02 1y09 s ASP 47 N -3.05 6.93 -0.04 1.36 -1.08 -1.26 -4.96 116.67 114.57 1y09 s ASP 47 Ca 0.38 1.16 0.14 0.00 -0.52 0.00 0.00 52.55 53.71 1y09 s ASP 47 Cb -0.11 -2.47 0.44 0.00 -1.46 0.00 0.00 42.92 39.32 1y09 s ASP 47 CO 0.28 -0.56 1.37 0.18 0.52 0.00 0.00 175.17 176.97 1y09 n LEU 48 N 6.06 3.45 -4.64 -1.34 4.77 -1.26 -4.57 117.00 119.46 1y09 n LEU 48 Ca 0.08 -2.19 -0.29 0.00 -0.03 0.00 0.00 56.01 53.58 1y09 n LEU 48 Cb 0.47 -0.36 0.19 0.00 -2.33 0.00 0.00 43.42 41.39 1y09 n LEU 48 CO 0.49 0.78 0.62 -0.94 -1.33 0.00 0.00 177.39 177.00 1y09 s SER 49 N -1.12 2.29 0.16 -1.43 1.04 -1.26 -4.92 113.70 108.45 1y09 s SER 49 Ca 0.33 1.23 -0.31 0.00 0.48 0.00 0.00 55.95 57.69 1y09 s SER 49 Cb 0.20 -1.92 -0.09 0.00 0.10 0.00 0.00 66.02 64.31 1y09 s SER 49 CO 0.19 -3.35 1.43 -2.28 0.98 0.00 0.00 173.24 170.21 1y09 s HIS 50 N -2.88 3.17 -0.68 5.02 2.46 -1.26 -2.67 115.29 118.45 1y09 s HIS 50 Ca 0.66 0.91 0.00 0.00 0.47 0.00 0.00 55.06 57.10 1y09 s HIS 50 Cb -0.20 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 1y09 s HIS 50 CO 0.59 -2.64 0.00 0.41 -2.47 0.00 0.00 174.74 170.63 1y09 n GLY 51 N 3.24 0.82 3.75 1.59 0.00 -1.26 -5.02 105.19 108.31 1y09 n GLY 51 Ca 0.11 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1y09 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y09 s SER 52 N -2.53 4.41 0.32 1.61 1.04 -1.09 -4.93 113.70 112.53 1y09 s SER 52 Ca 0.00 2.05 0.17 0.00 0.48 0.00 0.00 55.95 58.65 1y09 s SER 52 Cb 0.00 -2.55 0.25 0.00 0.10 0.00 0.00 66.02 63.82 1y09 s SER 52 CO 0.00 -2.10 1.53 0.00 0.98 0.00 0.00 173.24 173.65 1y09 h ALA 53 N -0.67 0.77 -0.22 5.32 0.00 -1.93 -3.00 119.26 119.54 1y09 h ALA 53 Ca -0.45 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 1y09 h ALA 53 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1y09 h ALA 53 CO 0.50 0.52 -0.38 1.96 0.00 0.00 0.00 179.25 181.86 1y09 h GLN 54 N 0.00 0.49 0.13 0.00 4.20 -1.93 -0.36 115.11 117.65 1y09 h GLN 54 Ca -0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1y09 h GLN 54 Cb 1.23 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1y09 h GLN 54 CO 0.05 0.79 -0.06 0.28 -0.67 0.00 0.00 178.83 179.22 1y09 h VAL 55 N 0.41 1.03 0.12 -0.54 2.07 -1.80 -1.17 116.25 116.38 1y09 h VAL 55 Ca 0.04 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1y09 h VAL 55 Cb 0.84 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1y09 h VAL 55 CO 0.07 0.20 -0.43 0.11 0.02 0.00 0.00 177.57 177.54 1y09 h LYS 56 N -0.60 -0.64 -0.57 1.57 1.57 -1.48 0.65 116.57 117.07 1y09 h LYS 56 Ca -0.02 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1y09 h LYS 56 Cb 0.46 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.83 1y09 h LYS 56 CO 0.03 -0.43 0.07 0.78 -0.57 0.00 0.00 179.45 179.33 1y09 h GLY 57 N -0.67 0.67 1.18 3.86 0.00 -1.08 0.45 103.07 107.48 1y09 h GLY 57 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1y09 h GLY 57 CO -0.25 -0.14 0.08 0.84 0.00 0.00 0.00 176.54 177.07 1y09 h HIS 58 N 0.19 1.07 -0.73 5.60 -0.00 0.10 -2.33 115.15 119.05 1y09 h HIS 58 Ca 0.30 -0.15 0.08 0.00 -0.00 0.00 0.00 60.37 60.60 1y09 h HIS 58 Cb 0.46 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 1y09 h HIS 58 CO -0.29 0.91 0.39 0.78 -0.00 0.00 0.00 177.93 179.73 1y09 h GLY 59 N 1.03 1.09 1.18 5.26 0.00 0.23 -0.73 103.07 111.13 1y09 h GLY 59 Ca 0.19 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1y09 h GLY 59 CO 0.01 0.12 0.02 1.70 0.00 0.00 0.00 176.54 178.40 1y09 h LYS 60 N 0.69 0.99 -0.33 4.80 3.64 -0.71 -0.41 116.57 125.25 1y09 h LYS 60 Ca 0.34 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1y09 h LYS 60 Cb 0.28 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1y09 h LYS 60 CO -0.23 0.96 0.15 0.87 -2.27 0.00 0.00 179.45 178.93 1y09 h LYS 61 N 0.91 0.48 0.14 1.90 1.57 -0.83 0.55 116.57 121.29 1y09 h LYS 61 Ca 0.17 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1y09 h LYS 61 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1y09 h LYS 61 CO 0.02 0.46 -0.07 0.28 -0.57 0.00 0.00 179.45 179.58 1y09 h VAL 62 N 0.39 1.00 -0.69 0.50 2.07 -1.01 -1.47 116.25 117.03 1y09 h VAL 62 Ca 0.11 -0.61 0.13 0.00 0.82 0.00 0.00 66.70 67.16 1y09 h VAL 62 Cb 0.15 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.20 1y09 h VAL 62 CO -0.01 0.14 0.22 0.00 0.02 0.00 0.00 177.57 177.94 1y09 h ALA 63 N 0.34 0.91 -0.56 1.67 0.00 -1.06 -1.34 119.26 119.22 1y09 h ALA 63 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1y09 h ALA 63 Cb 0.38 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1y09 h ALA 63 CO 0.03 -0.27 0.26 -0.44 0.00 0.00 0.00 179.25 178.84 1y09 h ASP 64 N 0.35 0.71 0.31 0.00 5.19 -0.50 0.72 116.42 123.20 1y09 h ASP 64 Ca 0.38 -0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.59 1y09 h ASP 64 Cb 0.58 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1y09 h ASP 64 CO -0.42 0.61 -0.51 0.00 -3.12 0.00 0.00 179.24 175.81 1y09 h ALA 65 N 1.50 0.99 -0.55 3.45 0.00 -0.21 -1.68 119.26 122.75 1y09 h ALA 65 Ca 0.20 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1y09 h ALA 65 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1y09 h ALA 65 CO -0.03 0.66 0.08 -0.07 0.00 0.00 0.00 179.25 179.90 1y09 h LEU 66 N 0.18 0.87 -0.87 0.00 3.38 -0.65 -1.54 115.31 116.68 1y09 h LEU 66 Ca 0.01 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1y09 h LEU 66 Cb 0.96 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1y09 h LEU 66 CO 0.08 0.91 0.54 0.74 0.09 0.00 0.00 178.44 180.80 1y09 h THR 67 N 0.80 1.05 -0.10 0.22 2.02 -0.51 -1.05 112.91 115.33 1y09 h THR 67 Ca 0.17 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 1y09 h THR 67 Cb 0.42 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1y09 h THR 67 CO 0.01 0.18 -0.46 -1.13 0.37 0.00 0.00 175.52 174.49 1y09 h ASN 68 N 0.99 0.27 -0.20 4.18 -1.24 -1.07 -2.28 115.58 116.23 1y09 h ASN 68 Ca 0.38 -0.12 -0.13 0.00 0.71 0.00 0.00 56.30 57.14 1y09 h ASN 68 Cb 0.16 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1y09 h ASN 68 CO -0.17 0.69 -0.38 0.00 -1.29 0.00 0.00 177.43 176.28 1y09 h ALA 69 N 1.32 0.31 -0.42 1.57 0.00 -0.23 -1.48 119.26 120.33 1y09 h ALA 69 Ca 0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1y09 h ALA 69 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1y09 h ALA 69 CO 0.07 0.39 0.26 0.28 0.00 0.00 0.00 179.25 180.25 1y09 h VAL 70 N 0.28 1.13 -0.11 0.00 2.07 -1.17 0.24 116.25 118.69 1y09 h VAL 70 Ca 0.01 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1y09 h VAL 70 Cb 0.98 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1y09 h VAL 70 CO 0.08 0.13 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 1y09 h ALA 71 N 1.12 1.29 -0.77 1.67 0.00 -1.40 -2.50 119.26 118.68 1y09 h ALA 71 Ca 0.15 -0.33 -0.44 0.00 0.00 0.00 0.00 54.91 54.29 1y09 h ALA 71 Cb -0.01 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 17.44 1y09 h ALA 71 CO -0.03 0.49 0.35 0.72 0.00 0.00 0.00 179.25 180.77 1y09 n HIS 72 N -4.13 2.43 0.10 0.00 8.25 -0.56 -4.74 115.22 116.58 1y09 n HIS 72 Ca -0.01 -2.02 0.20 0.00 -0.26 0.00 0.00 57.72 55.62 1y09 n HIS 72 Cb 0.39 -0.85 0.76 0.00 1.12 0.00 0.00 29.99 31.40 1y09 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y09 h VAL 73 N 1.09 0.41 0.00 1.59 3.04 -0.06 0.49 116.25 122.81 1y09 h VAL 73 Ca 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.17 1y09 h VAL 73 Cb 2.00 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 1y09 h VAL 73 CO 0.94 0.00 -0.14 0.44 -1.01 0.00 0.00 177.57 177.80 1y09 h ASP 74 N 0.00 0.00 -0.88 3.17 3.32 -1.85 -3.38 116.42 116.80 1y09 h ASP 74 Ca 0.18 -0.03 -0.37 0.00 0.02 0.00 0.00 57.03 56.84 1y09 h ASP 74 Cb 0.99 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.13 1y09 h ASP 74 CO -0.00 0.01 -1.09 -0.67 -1.72 0.00 0.00 179.24 175.77 1y09 n ASP 75 N -2.51 2.14 -0.01 6.45 2.03 0.17 -4.99 116.55 119.84 1y09 n ASP 75 Ca 0.05 -2.71 -0.11 0.00 0.52 0.00 0.00 54.79 52.54 1y09 n ASP 75 Cb 0.47 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 40.32 1y09 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y09 h MET 76 N 2.78 0.13 -0.69 -0.67 2.86 -1.69 -0.60 114.93 117.05 1y09 h MET 76 Ca -0.03 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.74 1y09 h MET 76 Cb 1.20 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.73 1y09 h MET 76 CO 0.47 0.09 0.18 -1.35 1.06 0.00 0.00 176.91 177.35 1y09 h PRO 77 N 0.13 0.29 -0.29 -0.22 0.11 -1.94 0.51 132.00 130.60 1y09 h PRO 77 Ca 0.04 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 1y09 h PRO 77 Cb -0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 1y09 h PRO 77 CO -0.02 0.19 -0.34 -0.91 -0.21 0.00 0.00 178.00 176.70 1y09 h ASN 78 N 0.29 0.80 0.42 -2.05 4.21 -1.88 -1.71 115.58 115.66 1y09 h ASN 78 Ca 0.38 -0.49 -0.04 0.00 1.21 0.00 0.00 56.30 57.36 1y09 h ASN 78 Cb 0.60 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 1y09 h ASN 78 CO -0.45 1.13 -0.19 0.00 -1.29 0.00 0.00 177.43 176.62 1y09 h ALA 79 N 0.69 1.31 -0.21 -0.83 0.00 0.75 -2.88 119.26 118.10 1y09 h ALA 79 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y09 h ALA 79 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1y09 h ALA 79 CO 0.08 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1y09 n LEU 80 N -3.76 3.43 0.05 0.00 4.77 0.15 -4.75 117.00 116.90 1y09 n LEU 80 Ca -0.02 -2.90 -0.11 0.00 -0.03 0.00 0.00 56.01 52.95 1y09 n LEU 80 Cb 0.30 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1y09 n LEU 80 CO 0.33 0.68 0.74 0.77 -1.33 0.00 0.00 177.39 178.58 1y09 h SER 81 N 1.41 -0.52 -0.66 -1.43 4.64 -1.08 0.67 113.55 116.58 1y09 h SER 81 Ca 0.00 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1y09 h SER 81 Cb 1.26 0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.53 1y09 h SER 81 CO 0.15 -0.24 0.44 0.00 -0.87 0.00 0.00 176.83 176.31 1y09 h ALA 82 N 0.64 1.71 -0.01 5.18 0.00 -1.85 0.55 119.26 125.48 1y09 h ALA 82 Ca 0.06 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1y09 h ALA 82 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1y09 h ALA 82 CO -0.17 0.20 -0.84 -0.07 0.00 0.00 0.00 179.25 178.37 1y09 h LEU 83 N 0.71 0.27 -0.38 0.00 3.38 -1.72 -1.27 115.31 116.29 1y09 h LEU 83 Ca 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1y09 h LEU 83 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1y09 h LEU 83 CO -0.08 0.99 0.12 -1.28 0.09 0.00 0.00 178.44 178.28 1y09 h SER 84 N 0.12 0.56 -0.17 -0.43 0.87 0.23 -1.94 113.55 112.79 1y09 h SER 84 Ca -0.04 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1y09 h SER 84 Cb 1.45 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1y09 h SER 84 CO 0.13 0.61 0.09 0.44 -0.53 0.00 0.00 176.83 177.57 1y09 h ASP 85 N 0.47 0.21 -0.61 6.23 3.32 -0.81 -2.63 116.42 122.60 1y09 h ASP 85 Ca 0.12 -0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.19 1y09 h ASP 85 Cb 0.25 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 1y09 h ASP 85 CO -0.00 0.24 0.20 0.25 -1.72 0.00 0.00 179.24 178.20 1y09 h LEU 86 N 0.16 0.16 -0.47 1.55 5.85 -1.09 -1.81 115.31 119.65 1y09 h LEU 86 Ca 0.06 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 1y09 h LEU 86 Cb 0.08 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1y09 h LEU 86 CO -0.01 0.09 -0.68 0.45 -0.34 0.00 0.00 178.44 177.95 1y09 h HIS 87 N 0.36 0.51 0.10 1.25 3.86 -1.22 -1.73 115.15 118.27 1y09 h HIS 87 Ca 0.31 -0.21 -0.26 0.00 -1.16 0.00 0.00 60.37 59.05 1y09 h HIS 87 Cb 0.42 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1y09 h HIS 87 CO -0.19 0.95 -1.19 0.00 0.86 0.00 0.00 177.93 178.35 1y09 h ALA 88 N 1.00 0.15 0.00 2.45 0.00 -1.24 0.56 119.26 122.17 1y09 h ALA 88 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1y09 h ALA 88 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1y09 h ALA 88 CO 0.12 1.02 -1.13 0.72 0.00 0.00 0.00 179.25 179.98 1y09 n HIS 89 N -3.50 0.00 0.04 0.00 8.25 -0.70 -4.64 115.22 114.67 1y09 n HIS 89 Ca -0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1y09 n HIS 89 Cb 1.01 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.95 1y09 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y09 n LYS 90 N -1.65 0.01 -0.03 -0.41 4.81 -0.72 -4.88 118.16 115.30 1y09 n LYS 90 Ca -0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1y09 n LYS 90 Cb 0.27 -0.52 -0.07 0.00 0.02 0.00 0.00 35.03 34.73 1y09 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y09 h LEU 91 N -0.02 0.87 -2.00 3.14 3.38 -1.47 -3.48 115.31 115.73 1y09 h LEU 91 Ca -0.00 -0.62 -0.44 0.00 0.09 0.00 0.00 57.88 56.91 1y09 h LEU 91 Cb 0.15 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 40.68 1y09 h LEU 91 CO -0.00 1.35 -0.86 0.54 0.09 0.00 0.00 178.44 179.56 1y09 n ARG 92 N -4.03 -3.96 -2.58 1.13 1.74 0.20 -4.92 116.66 104.24 1y09 n ARG 92 Ca -0.07 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.15 1y09 n ARG 92 Cb 0.70 -4.90 -0.04 0.00 -1.02 0.00 0.00 32.46 27.19 1y09 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y09 s VAL 93 N -3.72 3.95 0.28 1.55 1.01 -1.25 -5.00 120.40 117.22 1y09 s VAL 93 Ca 0.07 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 1y09 s VAL 93 Cb -0.02 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1y09 s VAL 93 CO 0.84 0.33 1.56 -0.62 0.00 0.00 0.00 175.10 177.20 1y09 s ASP 94 N -0.34 6.44 0.46 3.32 -1.08 -1.26 -4.86 116.67 119.35 1y09 s ASP 94 Ca 0.47 2.88 0.20 0.00 -0.52 0.00 0.00 52.55 55.58 1y09 s ASP 94 Cb -0.28 -2.63 1.18 0.00 -1.46 0.00 0.00 42.92 39.73 1y09 s ASP 94 CO 0.34 -0.86 1.91 -0.65 0.52 0.00 0.00 175.17 176.43 1y09 h PRO 95 N 4.95 0.27 0.00 4.34 0.11 -2.00 0.03 132.00 139.70 1y09 h PRO 95 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1y09 h PRO 95 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y09 h PRO 95 CO 0.79 0.18 -0.04 0.28 -0.21 0.00 0.00 178.00 179.01 1y09 h VAL 96 N 0.28 0.13 0.00 3.15 2.07 -2.03 -2.17 116.25 117.69 1y09 h VAL 96 Ca 0.39 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1y09 h VAL 96 Cb 1.11 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1y09 h VAL 96 CO -0.10 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.52 1y09 h ALA 97 N 1.96 1.00 -0.18 1.67 0.00 -1.34 -2.60 119.26 119.76 1y09 h ALA 97 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1y09 h ALA 97 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1y09 h ALA 97 CO 0.00 0.00 -0.25 0.74 0.00 0.00 0.00 179.25 179.74 1y09 h PHE 98 N 0.00 0.37 -0.53 0.00 -1.00 -1.52 -2.18 116.94 112.08 1y09 h PHE 98 Ca 0.00 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.63 1y09 h PHE 98 Cb 0.74 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 1y09 h PHE 98 CO 0.00 0.57 0.02 0.87 -1.61 0.00 0.00 178.31 178.15 1y09 h LYS 99 N 0.30 0.88 -0.03 1.51 1.57 -1.61 -1.61 116.57 117.60 1y09 h LYS 99 Ca 0.05 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1y09 h LYS 99 Cb 0.61 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1y09 h LYS 99 CO 0.04 0.87 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.71 1y09 h LEU 100 N 0.82 0.06 -0.37 2.94 3.38 -1.46 -2.01 115.31 118.68 1y09 h LEU 100 Ca 0.16 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1y09 h LEU 100 Cb 0.47 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1y09 h LEU 100 CO 0.02 0.50 0.15 0.25 0.09 0.00 0.00 178.44 179.46 1y09 h LEU 101 N -0.38 0.20 -0.56 1.67 5.85 -1.35 -2.19 115.31 118.55 1y09 h LEU 101 Ca 0.00 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1y09 h LEU 101 Cb 0.48 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 1y09 h LEU 101 CO 0.00 0.15 0.05 0.28 -0.34 0.00 0.00 178.44 178.58 1y09 h SER 102 N 0.32 -0.15 -0.35 1.25 0.02 -1.21 0.85 113.55 114.28 1y09 h SER 102 Ca 0.16 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1y09 h SER 102 Cb 0.11 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1y09 h SER 102 CO -0.14 -0.06 0.21 -0.74 -1.14 0.00 0.00 176.83 174.96 1y09 h HIS 103 N 0.16 0.47 0.00 3.45 -0.00 -1.13 -1.29 115.15 116.81 1y09 h HIS 103 Ca 0.29 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 1y09 h HIS 103 Cb 0.45 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1y09 h HIS 103 CO -0.30 0.35 -0.11 0.00 -0.00 0.00 0.00 177.93 177.86 1y09 h LEU 105 N 0.00 0.93 -0.70 0.00 -0.00 -0.23 -2.05 115.31 113.25 1y09 h LEU 105 Ca -0.00 -0.53 -0.04 0.00 -0.00 0.00 0.00 57.88 57.31 1y09 h LEU 105 Cb 0.20 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.57 1y09 h LEU 105 CO 0.01 1.28 0.29 -0.07 -0.00 0.00 0.00 178.44 179.95 1y09 h LEU 106 N 0.61 0.96 -0.87 1.67 3.38 -0.62 -1.17 115.31 119.27 1y09 h LEU 106 Ca 0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1y09 h LEU 106 Cb 1.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1y09 h LEU 106 CO 0.11 0.87 0.07 0.58 0.09 0.00 0.00 178.44 180.16 1y09 h VAL 107 N 1.00 1.25 -0.55 1.22 2.07 -1.09 -0.98 116.25 119.16 1y09 h VAL 107 Ca 0.23 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1y09 h VAL 107 Cb 0.20 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1y09 h VAL 107 CO -0.02 0.35 0.01 0.74 0.02 0.00 0.00 177.57 178.68 1y09 h THR 108 N 0.85 1.26 -0.26 2.57 2.02 -0.86 -0.30 112.91 118.19 1y09 h THR 108 Ca 0.17 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.19 1y09 h THR 108 Cb 0.41 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1y09 h THR 108 CO 0.01 0.39 -0.14 -0.07 0.37 0.00 0.00 175.52 176.08 1y09 h LEU 109 N 0.84 0.56 -1.39 2.58 3.38 -1.05 -2.06 115.31 118.16 1y09 h LEU 109 Ca 0.16 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1y09 h LEU 109 Cb 0.52 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1y09 h LEU 109 CO 0.03 0.86 0.44 0.00 0.09 0.00 0.00 178.44 179.85 1y09 h ALA 110 N 0.72 1.64 0.00 1.53 0.00 -0.97 0.14 119.26 122.33 1y09 h ALA 110 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1y09 h ALA 110 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1y09 h ALA 110 CO 0.04 0.28 -0.46 0.00 0.00 0.00 0.00 179.25 179.11 1y09 h ALA 111 N 1.61 1.18 0.00 0.00 0.00 -0.76 -3.32 119.26 117.97 1y09 h ALA 111 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1y09 h ALA 111 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1y09 h ALA 111 CO -0.08 0.58 -0.79 0.72 0.00 0.00 0.00 179.25 179.68 1y09 n HIS 112 N -3.91 0.00 -3.10 0.00 8.25 -0.51 -4.71 115.22 111.23 1y09 n HIS 112 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 1y09 n HIS 112 Cb 0.50 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 1y09 n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y09 n LEU 113 N -1.43 3.37 0.05 2.41 4.77 0.37 -5.00 117.00 121.54 1y09 n LEU 113 Ca 0.01 -5.45 -0.12 0.00 -0.03 0.00 0.00 56.01 50.42 1y09 n LEU 113 Cb 0.21 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1y09 n LEU 113 CO 0.24 2.27 0.51 1.55 -1.33 0.00 0.00 177.39 180.63 1y09 h PRO 114 N 3.29 -0.52 0.00 3.23 0.13 -1.81 -1.67 132.00 134.65 1y09 h PRO 114 Ca 0.13 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1y09 h PRO 114 Cb 0.65 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1y09 h PRO 114 CO 0.74 -0.35 -0.04 0.00 -0.23 0.00 0.00 178.00 178.12 1y09 h ALA 115 N -0.69 1.80 0.00 -0.56 0.00 -1.95 -2.68 119.26 115.18 1y09 h ALA 115 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1y09 h ALA 115 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1y09 h ALA 115 CO -0.27 0.05 -0.48 0.93 0.00 0.00 0.00 179.25 179.48 1y09 h GLU 116 N 0.00 0.00 -3.34 0.00 3.07 -1.78 -3.40 114.58 109.13 1y09 h GLU 116 Ca -0.00 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.11 1y09 h GLU 116 Cb 0.07 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.85 1y09 h GLU 116 CO 0.00 0.30 2.23 0.34 -1.40 0.00 0.00 179.01 180.48 1y09 n PHE 117 N -3.12 2.88 -2.15 4.33 7.35 -0.71 -4.75 117.46 121.30 1y09 n PHE 117 Ca 0.01 -2.81 -0.29 0.00 -0.76 0.00 0.00 57.45 53.60 1y09 n PHE 117 Cb 0.67 -1.98 0.03 0.00 0.35 0.00 0.00 39.48 38.56 1y09 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y09 s THR 118 N 0.31 3.91 0.47 -2.13 -4.23 -1.26 -4.79 115.64 107.91 1y09 s THR 118 Ca 0.44 0.35 0.21 0.00 -1.18 0.00 0.00 61.69 61.50 1y09 s THR 118 Cb 0.12 -3.58 0.39 0.00 1.34 0.00 0.00 72.50 70.77 1y09 s THR 118 CO -0.02 -0.68 1.92 -0.65 -0.54 0.00 0.00 174.62 174.65 1y09 h PRO 119 N -0.33 0.25 0.08 3.99 0.11 -1.99 0.13 132.00 134.23 1y09 h PRO 119 Ca -0.45 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.35 1y09 h PRO 119 Cb 1.24 -0.06 0.03 0.00 0.11 0.00 0.00 31.00 32.32 1y09 h PRO 119 CO 0.62 0.16 -1.18 0.00 -0.21 0.00 0.00 178.00 177.40 1y09 h ALA 120 N 1.65 0.04 -0.40 -0.75 0.00 -1.96 -2.26 119.26 115.59 1y09 h ALA 120 Ca 0.36 -0.75 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1y09 h ALA 120 Cb 1.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1y09 h ALA 120 CO -0.08 0.69 -0.24 0.28 0.00 0.00 0.00 179.25 179.90 1y09 h VAL 121 N 0.32 1.27 -0.25 0.00 2.07 -1.55 -1.85 116.25 116.26 1y09 h VAL 121 Ca -0.17 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.00 1y09 h VAL 121 Cb 1.84 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1y09 h VAL 121 CO 0.23 0.46 0.13 -0.74 0.02 0.00 0.00 177.57 177.67 1y09 h HIS 122 N 0.70 0.25 0.07 1.57 6.17 -0.84 0.20 115.15 123.26 1y09 h HIS 122 Ca 0.09 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.20 1y09 h HIS 122 Cb 0.76 -0.08 -0.03 0.00 2.52 0.00 0.00 27.41 30.59 1y09 h HIS 122 CO 0.04 0.14 -0.17 0.00 0.71 0.00 0.00 177.93 178.65 1y09 h ALA 123 N 1.12 -0.27 -0.79 5.26 0.00 -1.15 -2.09 119.26 121.35 1y09 h ALA 123 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1y09 h ALA 123 Cb 0.01 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1y09 h ALA 123 CO -0.06 -0.69 0.51 0.77 0.00 0.00 0.00 179.25 179.78 1y09 h SER 124 N -0.32 0.85 -0.65 0.00 0.02 -1.09 -1.77 113.55 110.59 1y09 h SER 124 Ca 0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1y09 h SER 124 Cb 0.36 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1y09 h SER 124 CO -0.12 0.60 0.27 -0.07 -1.14 0.00 0.00 176.83 176.37 1y09 h LEU 125 N 1.01 0.89 -0.71 5.07 3.38 -0.75 -0.33 115.31 123.85 1y09 h LEU 125 Ca 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1y09 h LEU 125 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1y09 h LEU 125 CO -0.10 0.80 0.37 -0.78 0.09 0.00 0.00 178.44 178.82 1y09 h ASP 126 N 0.91 0.91 -0.45 -0.43 3.58 -1.18 0.14 116.42 119.90 1y09 h ASP 126 Ca 0.22 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 1y09 h ASP 126 Cb 0.18 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1y09 h ASP 126 CO -0.02 0.77 -0.10 0.11 -2.88 0.00 0.00 179.24 177.13 1y09 h LYS 127 N 0.99 0.86 -0.17 0.28 1.57 -0.96 -0.94 116.57 118.20 1y09 h LYS 127 Ca 0.25 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1y09 h LYS 127 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1y09 h LYS 127 CO -0.04 0.96 0.08 0.35 -0.57 0.00 0.00 179.45 180.24 1y09 h PHE 128 N 0.70 0.24 -0.33 -1.35 3.57 -0.81 0.10 116.94 119.06 1y09 h PHE 128 Ca 0.12 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1y09 h PHE 128 Cb 0.63 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1y09 h PHE 128 CO 0.05 0.27 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.30 1y09 h LEU 129 N 0.15 0.49 -0.77 0.59 3.38 -0.64 -0.28 115.31 118.23 1y09 h LEU 129 Ca 0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1y09 h LEU 129 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1y09 h LEU 129 CO -0.01 0.58 -0.06 0.00 0.09 0.00 0.00 178.44 179.04 1y09 h ALA 130 N 1.49 0.96 -0.44 1.53 0.00 -0.85 -1.03 119.26 120.92 1y09 h ALA 130 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1y09 h ALA 130 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1y09 h ALA 130 CO 0.01 0.62 -0.22 0.77 0.00 0.00 0.00 179.25 180.43 1y09 h SER 131 N 0.80 0.96 -0.11 0.00 0.02 -0.06 -0.66 113.55 114.49 1y09 h SER 131 Ca 0.14 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1y09 h SER 131 Cb 0.56 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1y09 h SER 131 CO 0.03 1.15 0.02 0.58 -1.14 0.00 0.00 176.83 177.47 1y09 h VAL 132 N 0.76 0.95 -0.75 2.27 2.07 -0.85 -1.45 116.25 119.26 1y09 h VAL 132 Ca 0.10 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.69 1y09 h VAL 132 Cb 0.79 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1y09 h VAL 132 CO 0.07 0.01 0.39 0.28 0.02 0.00 0.00 177.57 178.34 1y09 h SER 133 N 0.07 0.52 -0.16 0.57 0.02 -0.80 0.38 113.55 114.15 1y09 h SER 133 Ca 0.05 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1y09 h SER 133 Cb 0.04 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1y09 h SER 133 CO -0.07 0.29 0.06 0.74 -1.14 0.00 0.00 176.83 176.72 1y09 h THR 134 N 0.65 0.97 -0.85 -2.27 2.02 -0.90 -1.62 112.91 110.91 1y09 h THR 134 Ca 0.37 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.52 1y09 h THR 134 Cb 0.39 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1y09 h THR 134 CO -0.27 0.03 0.56 0.58 0.37 0.00 0.00 175.52 176.79 1y09 h VAL 135 N 0.14 1.20 0.00 3.16 2.07 -0.14 -0.21 116.25 122.48 1y09 h VAL 135 Ca 0.07 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1y09 h VAL 135 Cb 0.04 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1y09 h VAL 135 CO -0.07 0.21 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1y09 n LEU 136 N -4.50 0.66 -0.42 2.57 4.77 0.01 -2.58 117.00 117.50 1y09 n LEU 136 Ca 0.09 0.65 0.04 0.00 -0.03 0.00 0.00 56.01 56.77 1y09 n LEU 136 Cb 0.03 -0.56 0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1y09 n LEU 136 CO 0.36 -0.52 0.55 0.35 -1.33 0.00 0.00 177.39 176.79 1y09 n THR 137 N -2.22 0.80 0.30 -5.08 -2.24 -0.58 -4.58 114.28 100.69 1y09 n THR 137 Ca 0.02 -0.90 0.16 0.00 -2.27 0.00 0.00 64.05 61.07 1y09 n THR 137 Cb 0.24 0.63 0.66 0.00 -2.10 0.00 0.00 70.33 69.76 1y09 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y09 h SER 138 N 1.44 0.00 -0.37 3.42 4.64 -0.81 -2.95 113.55 118.92 1y09 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y09 h SER 138 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1y09 h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1y09 n LYS 139 N -2.91 3.08 -0.14 4.77 5.02 -1.26 -4.70 118.16 122.03 1y09 n LYS 139 Ca 0.01 -2.53 0.03 0.00 -2.02 0.00 0.00 58.31 53.80 1y09 n LYS 139 Cb 0.28 -1.62 0.33 0.00 -0.02 0.00 0.00 35.03 34.00 1y09 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y09 h TYR 140 N 2.35 0.76 0.00 2.13 -1.99 -1.85 -3.47 116.97 114.91 1y09 h TYR 140 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1y09 h TYR 140 Cb 1.16 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 39.63 1y09 h TYR 140 CO 0.45 0.46 0.00 2.89 -0.00 0.00 0.00 178.16 181.96