#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 4.20 0.28 3.17 1.43 -1.26 -5.07 118.68 121.44 1y09 s LEU 2 Ca 0.00 2.14 0.06 0.00 -1.03 0.00 0.00 54.13 55.30 1y09 s LEU 2 Cb 0.00 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 1y09 s LEU 2 CO 0.00 -0.50 0.41 -0.94 0.23 0.00 0.00 176.35 175.55 1y09 s SER 3 N -1.37 6.14 0.25 2.29 1.04 -1.26 -4.92 113.70 115.86 1y09 s SER 3 Ca 0.56 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 1y09 s SER 3 Cb -0.25 -1.55 0.48 0.00 0.10 0.00 0.00 66.02 64.79 1y09 s SER 3 CO 0.32 -0.24 1.64 -0.65 0.98 0.00 0.00 173.24 175.29 1y09 h PRO 4 N 1.05 0.14 -0.76 4.02 0.11 -1.99 0.19 132.00 134.76 1y09 h PRO 4 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1y09 h PRO 4 Cb 1.24 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1y09 h PRO 4 CO 0.57 0.09 0.45 0.00 -0.21 0.00 0.00 178.00 178.90 1y09 h ALA 5 N 1.70 0.97 -0.25 -0.75 0.00 -1.99 -0.59 119.26 118.36 1y09 h ALA 5 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1y09 h ALA 5 Cb 0.78 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1y09 h ALA 5 CO -0.64 0.45 0.16 -0.44 0.00 0.00 0.00 179.25 178.78 1y09 h ASP 6 N 1.04 0.29 -0.68 0.00 3.32 -1.41 0.06 116.42 119.06 1y09 h ASP 6 Ca 0.27 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1y09 h ASP 6 Cb -0.02 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1y09 h ASP 6 CO -0.05 0.24 0.34 0.11 -1.72 0.00 0.00 179.24 178.16 1y09 h LYS 7 N 0.32 0.99 -0.28 3.56 1.57 -0.30 0.57 116.57 123.00 1y09 h LYS 7 Ca 0.09 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1y09 h LYS 7 Cb -0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1y09 h LYS 7 CO -0.02 0.76 -0.16 1.15 -0.57 0.00 0.00 179.45 180.61 1y09 h THR 8 N 0.99 1.30 -0.73 -0.16 2.02 -0.75 -1.78 112.91 113.80 1y09 h THR 8 Ca 0.24 -1.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.09 1y09 h THR 8 Cb 0.10 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1y09 h THR 8 CO -0.03 0.40 0.22 0.78 0.37 0.00 0.00 175.52 177.26 1y09 h ASN 9 N 0.34 1.06 -0.08 4.18 -0.26 -0.63 -1.49 115.58 118.70 1y09 h ASN 9 Ca 0.06 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.57 1y09 h ASN 9 Cb 0.69 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1y09 h ASN 9 CO 0.05 0.99 -0.01 0.58 -1.06 0.00 0.00 177.43 177.98 1y09 h VAL 10 N 1.08 1.27 -0.84 2.81 2.07 -0.82 -0.99 116.25 120.82 1y09 h VAL 10 Ca 0.23 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1y09 h VAL 10 Cb 0.31 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1y09 h VAL 10 CO -0.01 0.23 0.50 0.11 0.02 0.00 0.00 177.57 178.43 1y09 h LYS 11 N -0.16 1.15 -0.42 1.57 1.57 -1.27 -0.35 116.57 118.66 1y09 h LYS 11 Ca 0.02 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1y09 h LYS 11 Cb 0.37 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1y09 h LYS 11 CO 0.01 0.81 0.03 0.00 -0.57 0.00 0.00 179.45 179.72 1y09 h ALA 12 N 1.39 0.56 -0.25 3.86 0.00 -1.17 0.29 119.26 123.95 1y09 h ALA 12 Ca 0.30 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1y09 h ALA 12 Cb -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1y09 h ALA 12 CO -0.06 0.32 -0.48 0.00 0.00 0.00 0.00 179.25 179.03 1y09 h ALA 13 N 0.91 0.40 -0.38 0.00 0.00 -0.77 -2.67 119.26 116.75 1y09 h ALA 13 Ca 0.12 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1y09 h ALA 13 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1y09 h ALA 13 CO 0.02 0.57 -0.34 2.35 0.00 0.00 0.00 179.25 181.85 1y09 h TRP 14 N 0.52 1.01 -0.84 0.00 2.91 -1.09 -2.50 115.95 115.95 1y09 h TRP 14 Ca 0.01 -0.28 0.17 0.00 1.13 0.00 0.00 58.89 59.92 1y09 h TRP 14 Cb 1.09 -0.22 -0.11 0.00 -0.51 0.00 0.00 29.16 29.41 1y09 h TRP 14 CO 0.08 1.07 0.38 0.78 -1.03 0.00 0.00 178.44 179.72 1y09 h GLY 15 N 0.88 1.37 1.13 2.65 0.00 -0.86 -1.83 103.07 106.41 1y09 h GLY 15 Ca 0.07 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1y09 h GLY 15 CO 0.08 -0.14 -0.16 0.50 0.00 0.00 0.00 176.54 176.83 1y09 h LYS 16 N 0.49 1.00 -0.28 4.80 1.79 -1.10 -2.91 116.57 120.35 1y09 h LYS 16 Ca 0.48 -0.39 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 1y09 h LYS 16 Cb 0.79 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 31.32 1y09 h LYS 16 CO -0.44 1.07 -0.20 0.28 -1.08 0.00 0.00 179.45 179.09 1y09 h VAL 17 N 0.88 0.46 0.00 0.50 2.07 -1.09 -3.45 116.25 115.61 1y09 h VAL 17 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1y09 h VAL 17 Cb 0.72 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1y09 h VAL 17 CO 0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1y09 n GLY 18 N -1.35 3.54 2.32 2.17 0.00 -0.77 -1.39 105.19 109.70 1y09 n GLY 18 Ca -0.00 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 11.48 6.71 -0.22 4.61 0.00 -1.26 -2.92 120.51 138.91 1y09 n ALA 19 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.41 1y09 n ALA 19 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 1.97 0.00 -0.10 0.00 -0.00 -0.49 -4.93 115.22 111.67 1y09 n HIS 20 Ca 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 58.19 1y09 n HIS 20 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 1y09 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y09 h ALA 21 N 0.00 -0.57 -0.24 -1.41 0.00 -1.70 -1.09 119.26 114.26 1y09 h ALA 21 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1y09 h ALA 21 Cb 0.11 0.99 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1y09 h ALA 21 CO 0.00 -0.75 -0.32 0.78 0.00 0.00 0.00 179.25 178.96 1y09 h GLY 22 N -0.22 -0.36 -0.57 0.00 0.00 -1.86 0.18 103.07 100.23 1y09 h GLY 22 Ca 0.05 0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.86 1y09 h GLY 22 CO -0.39 -0.21 -0.48 -2.09 0.00 0.00 0.00 176.54 173.38 1y09 h GLU 23 N -0.34 -0.21 -0.05 4.80 4.81 -1.83 0.11 114.58 121.88 1y09 h GLU 23 Ca 0.13 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1y09 h GLU 23 Cb 0.54 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1y09 h GLU 23 CO -0.43 -0.14 -0.20 1.88 -0.73 0.00 0.00 179.01 179.39 1y09 h TYR 24 N -0.22 0.08 -0.39 0.92 0.05 -0.14 -1.04 116.97 116.23 1y09 h TYR 24 Ca 0.17 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1y09 h TYR 24 Cb 0.55 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 1y09 h TYR 24 CO -0.76 0.28 0.17 0.78 -1.05 0.00 0.00 178.16 177.58 1y09 h GLY 25 N 0.71 0.62 0.92 3.88 0.00 0.23 -0.51 103.07 108.92 1y09 h GLY 25 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1y09 h GLY 25 CO 0.03 0.31 0.12 0.00 0.00 0.00 0.00 176.54 176.99 1y09 h ALA 26 N 1.02 0.36 -0.32 3.60 0.00 -0.43 -1.78 119.26 121.70 1y09 h ALA 26 Ca 0.13 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1y09 h ALA 26 Cb 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1y09 h ALA 26 CO -0.01 -0.06 0.09 1.49 0.00 0.00 0.00 179.25 180.75 1y09 h GLU 27 N 0.30 0.21 -0.32 0.00 4.81 -1.14 0.01 114.58 118.45 1y09 h GLU 27 Ca 0.09 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1y09 h GLU 27 Cb 0.16 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 1y09 h GLU 27 CO -0.01 0.14 -0.13 0.00 -0.73 0.00 0.00 179.01 178.28 1y09 h ALA 28 N 1.22 0.14 -0.66 2.92 0.00 -0.96 0.40 119.26 122.32 1y09 h ALA 28 Ca 0.15 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1y09 h ALA 28 Cb 0.14 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1y09 h ALA 28 CO -0.18 -0.51 0.36 -0.07 0.00 0.00 0.00 179.25 178.85 1y09 h LEU 29 N -0.07 0.52 -0.49 0.00 3.38 -0.29 -1.66 115.31 116.70 1y09 h LEU 29 Ca 0.16 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1y09 h LEU 29 Cb 0.32 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1y09 h LEU 29 CO -0.37 0.33 0.09 -0.08 0.09 0.00 0.00 178.44 178.50 1y09 h GLU 30 N 0.66 0.80 -0.91 1.13 4.81 -0.13 -1.16 114.58 119.77 1y09 h GLU 30 Ca 0.30 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1y09 h GLU 30 Cb 0.20 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1y09 h GLU 30 CO -0.19 0.80 0.57 0.00 -0.73 0.00 0.00 179.01 179.46 1y09 h ARG 31 N 0.67 1.01 -0.12 1.92 3.08 -0.56 -2.25 114.38 118.14 1y09 h ARG 31 Ca 0.15 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1y09 h ARG 31 Cb 0.38 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1y09 h ARG 31 CO 0.01 0.67 -0.01 1.98 -1.07 0.00 0.00 179.97 181.55 1y09 h MET 32 N 1.04 0.22 -0.92 0.04 4.05 -0.68 0.20 114.93 118.87 1y09 h MET 32 Ca 0.40 -0.07 0.08 0.00 -0.28 0.00 0.00 59.70 59.82 1y09 h MET 32 Cb 0.17 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.89 1y09 h MET 32 CO -0.17 0.48 0.60 0.74 0.23 0.00 0.00 176.91 178.78 1y09 h PHE 33 N -0.07 1.05 0.23 1.39 0.04 -1.05 0.34 116.94 118.87 1y09 h PHE 33 Ca 0.03 0.03 -0.32 0.00 2.80 0.00 0.00 57.97 60.51 1y09 h PHE 33 Cb 0.39 -0.34 0.03 0.00 2.20 0.00 0.00 35.95 38.23 1y09 h PHE 33 CO 0.04 0.52 -1.47 -0.07 -0.60 0.00 0.00 178.31 176.74 1y09 h LEU 34 N 1.01 0.75 -0.20 1.54 3.38 -1.31 -3.18 115.31 117.29 1y09 h LEU 34 Ca 0.41 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 57.23 1y09 h LEU 34 Cb 0.27 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1y09 h LEU 34 CO -0.17 1.70 -0.82 0.28 0.09 0.00 0.00 178.44 179.52 1y09 h SER 35 N 0.07 0.78 -2.56 -0.43 0.02 -0.85 -3.39 113.55 107.19 1y09 h SER 35 Ca -0.27 -0.54 -0.60 0.00 -0.84 0.00 0.00 61.79 59.55 1y09 h SER 35 Cb 2.09 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 63.99 1y09 h SER 35 CO 0.24 1.32 -0.76 0.49 -1.14 0.00 0.00 176.83 176.98 1y09 n PHE 36 N -3.88 1.66 0.15 3.45 3.72 0.12 -4.99 117.46 117.69 1y09 n PHE 36 Ca -0.07 -3.90 0.18 0.00 -0.05 0.00 0.00 57.45 53.62 1y09 n PHE 36 Cb 0.76 -0.32 0.78 0.00 -0.94 0.00 0.00 39.48 39.76 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 5.02 0.00 0.00 -1.08 0.11 -1.71 -0.18 132.00 134.17 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 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1y09 h PRO 37 CO 0.61 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.19 1y09 h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.91 -1.10 112.91 110.10 1y09 h THR 38 Ca 0.14 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1y09 h THR 38 Cb 0.75 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1y09 h THR 38 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 1y09 n THR 39 N -3.08 0.69 0.27 6.82 -2.24 -0.08 -2.65 114.28 114.01 1y09 n THR 39 Ca -0.02 0.11 0.16 0.00 -2.27 0.00 0.00 64.05 62.03 1y09 n THR 39 Cb 0.12 -0.88 0.69 0.00 -2.10 0.00 0.00 70.33 68.16 1y09 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1y09 h LYS 40 N 0.00 0.00 -0.00 -0.78 1.57 -1.39 -2.95 116.57 113.02 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 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1y09 h LYS 40 CO 0.00 0.03 0.07 1.79 -0.57 0.00 0.00 179.45 180.77 1y09 h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.69 -1.20 112.91 111.21 1y09 h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y09 h THR 41 Cb 0.51 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1y09 h THR 41 CO 0.00 0.00 -0.25 -1.22 -0.25 0.00 0.00 175.52 173.81 1y09 n TYR 42 N -3.05 0.28 -2.56 4.73 4.01 -1.11 -4.17 117.16 115.28 1y09 n TYR 42 Ca -0.03 0.08 -0.19 0.00 -0.16 0.00 0.00 57.90 57.60 1y09 n TYR 42 Cb 0.13 -0.54 0.01 0.00 -0.31 0.00 0.00 39.34 38.63 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 -1.75 2.40 0.11 -0.72 3.01 -0.46 -4.88 117.46 115.16 1y09 n PHE 43 Ca 0.06 -2.97 0.02 0.00 1.01 0.00 0.00 57.45 55.57 1y09 n PHE 43 Cb 0.37 -0.22 0.39 0.00 -0.01 0.00 0.00 39.48 40.02 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 2.77 0.26 0.00 -1.08 0.13 -1.72 -1.62 132.00 130.73 1y09 h PRO 44 Ca 0.12 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1y09 h PRO 44 Cb 1.04 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1y09 h PRO 44 CO 0.69 0.38 0.00 -2.39 -0.23 0.00 0.00 178.00 176.45 1y09 n HIS 45 N -4.28 0.00 -3.67 1.56 1.44 -1.26 -4.86 115.22 104.14 1y09 n HIS 45 Ca -0.01 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.48 1y09 n HIS 45 Cb 0.26 -0.03 -0.01 0.00 0.12 0.00 0.00 29.99 30.32 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 -2.07 3.44 -0.29 -1.40 0.40 -0.61 -5.07 117.98 112.39 1y09 s PHE 46 Ca 0.39 0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.71 1y09 s PHE 46 Cb 0.18 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1y09 s PHE 46 CO 0.32 0.26 0.30 0.34 0.70 0.00 0.00 175.22 177.14 1y09 s ASP 47 N -4.02 6.15 -0.37 1.36 2.15 -1.26 -4.98 116.67 115.70 1y09 s ASP 47 Ca 0.37 0.08 0.06 0.00 0.43 0.00 0.00 52.55 53.50 1y09 s ASP 47 Cb -0.09 -2.17 0.56 0.00 -0.30 0.00 0.00 42.92 40.92 1y09 s ASP 47 CO 0.32 -0.15 1.65 0.18 -0.17 0.00 0.00 175.17 176.99 1y09 n LEU 48 N 5.23 5.27 -4.87 -1.34 4.77 -1.26 -4.52 117.00 120.28 1y09 n LEU 48 Ca -0.11 -3.80 -0.31 0.00 -0.03 0.00 0.00 56.01 51.77 1y09 n LEU 48 Cb 0.51 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1y09 n LEU 48 CO 0.36 1.24 0.42 -0.94 -1.33 0.00 0.00 177.39 177.14 1y09 s SER 49 N -2.11 6.62 0.17 -1.43 1.04 -1.26 -4.94 113.70 111.78 1y09 s SER 49 Ca 0.50 1.17 -0.33 0.00 0.48 0.00 0.00 55.95 57.77 1y09 s SER 49 Cb 0.44 -2.33 -0.16 0.00 0.10 0.00 0.00 66.02 64.07 1y09 s SER 49 CO 0.04 -0.31 1.17 1.57 0.98 0.00 0.00 173.24 176.69 1y09 n HIS 50 N -0.90 1.31 -0.96 5.02 -0.00 -1.26 -0.32 115.22 118.11 1y09 n HIS 50 Ca 0.03 0.68 0.00 0.00 0.46 0.00 0.00 57.72 58.88 1y09 n HIS 50 Cb 0.54 -2.28 0.00 0.00 -0.12 0.00 0.00 29.99 28.12 1y09 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y09 n GLY 51 N 2.03 0.58 3.58 1.57 0.00 -1.26 -4.97 105.19 106.71 1y09 n GLY 51 Ca 0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.69 1y09 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y09 n SER 52 N -0.11 1.37 0.16 1.61 2.88 0.57 -4.90 113.62 115.20 1y09 n SER 52 Ca 0.00 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.71 1y09 n SER 52 Cb 0.05 -1.23 0.26 0.00 -0.75 0.00 0.00 64.21 62.54 1y09 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y09 h ALA 53 N 3.20 0.99 -0.02 -1.46 0.00 -1.89 -2.44 119.26 117.64 1y09 h ALA 53 Ca -0.43 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 53.91 1y09 h ALA 53 Cb 1.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1y09 h ALA 53 CO 0.69 0.60 -0.62 1.96 0.00 0.00 0.00 179.25 181.88 1y09 h GLN 54 N 0.00 0.06 -0.12 0.00 4.20 -1.91 -1.14 115.11 116.21 1y09 h GLN 54 Ca -0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1y09 h GLN 54 Cb 0.99 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1y09 h GLN 54 CO 0.06 0.67 -0.10 0.28 -0.67 0.00 0.00 178.83 179.07 1y09 h VAL 55 N 0.05 1.34 -0.14 -0.54 2.07 -1.76 -1.22 116.25 116.06 1y09 h VAL 55 Ca -0.01 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.33 1y09 h VAL 55 Cb 1.11 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1y09 h VAL 55 CO 0.09 0.35 -0.08 0.11 0.02 0.00 0.00 177.57 178.06 1y09 h LYS 56 N -0.11 -0.07 -0.65 1.57 1.79 -1.34 0.15 116.57 117.91 1y09 h LYS 56 Ca 0.02 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1y09 h LYS 56 Cb 0.60 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 1y09 h LYS 56 CO 0.03 -0.05 0.43 0.78 -1.08 0.00 0.00 179.45 179.56 1y09 h GLY 57 N -0.07 0.91 0.95 3.86 0.00 -1.25 -0.56 103.07 106.91 1y09 h GLY 57 Ca 0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1y09 h GLY 57 CO -0.18 0.33 -0.12 0.84 0.00 0.00 0.00 176.54 177.40 1y09 h HIS 58 N 0.87 0.79 -0.99 5.60 -0.00 -1.15 -2.65 115.15 117.62 1y09 h HIS 58 Ca 0.24 -0.18 0.13 0.00 -0.00 0.00 0.00 60.37 60.56 1y09 h HIS 58 Cb -0.09 -0.19 -0.09 0.00 -0.00 0.00 0.00 27.41 27.04 1y09 h HIS 58 CO -0.03 0.88 0.62 0.78 -0.00 0.00 0.00 177.93 180.17 1y09 h GLY 59 N 0.48 1.65 0.88 5.26 0.00 0.23 0.29 103.07 111.85 1y09 h GLY 59 Ca 0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1y09 h GLY 59 CO 0.04 0.12 0.04 1.70 0.00 0.00 0.00 176.54 178.44 1y09 h LYS 60 N 0.94 0.46 -0.69 4.80 1.63 -1.12 -0.73 116.57 121.86 1y09 h LYS 60 Ca 0.51 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 60.20 1y09 h LYS 60 Cb 0.55 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1y09 h LYS 60 CO -0.29 0.58 0.44 0.87 -3.45 0.00 0.00 179.45 177.61 1y09 h LYS 61 N 0.28 0.85 -0.44 1.90 1.57 -0.78 0.75 116.57 120.70 1y09 h LYS 61 Ca 0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1y09 h LYS 61 Cb 0.35 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1y09 h LYS 61 CO 0.01 0.56 0.13 0.28 -0.57 0.00 0.00 179.45 179.86 1y09 h VAL 62 N 0.88 1.22 -0.34 0.50 2.07 -0.91 -2.03 116.25 117.65 1y09 h VAL 62 Ca 0.27 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 1y09 h VAL 62 Cb -0.02 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1y09 h VAL 62 CO -0.09 0.27 -0.22 0.00 0.02 0.00 0.00 177.57 177.55 1y09 h ALA 63 N 0.99 1.00 -0.50 1.67 0.00 -0.65 -1.81 119.26 119.95 1y09 h ALA 63 Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1y09 h ALA 63 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1y09 h ALA 63 CO -0.00 0.59 0.32 -0.44 0.00 0.00 0.00 179.25 179.72 1y09 h ASP 64 N 0.57 0.54 -0.71 0.00 3.32 -0.62 0.01 116.42 119.53 1y09 h ASP 64 Ca 0.08 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1y09 h ASP 64 Cb 0.68 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1y09 h ASP 64 CO 0.05 0.39 0.41 0.00 -1.72 0.00 0.00 179.24 178.37 1y09 h ALA 65 N 1.19 1.35 -0.26 3.45 0.00 -1.01 0.47 119.26 124.46 1y09 h ALA 65 Ca 0.19 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1y09 h ALA 65 Cb -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1y09 h ALA 65 CO -0.06 0.54 -0.42 -0.07 0.00 0.00 0.00 179.25 179.25 1y09 h LEU 66 N 1.01 0.67 -0.51 0.00 3.38 -0.80 -1.97 115.31 117.09 1y09 h LEU 66 Ca 0.26 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1y09 h LEU 66 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1y09 h LEU 66 CO -0.04 1.00 0.28 0.74 0.09 0.00 0.00 178.44 180.51 1y09 h THR 67 N 0.51 1.17 -0.80 0.22 2.02 -0.22 -1.10 112.91 114.71 1y09 h THR 67 Ca 0.04 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1y09 h THR 67 Cb 0.94 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1y09 h THR 67 CO 0.08 0.18 0.51 -1.13 0.37 0.00 0.00 175.52 175.53 1y09 h ASN 68 N 0.67 0.94 -0.30 4.18 -1.24 -0.73 -0.87 115.58 118.24 1y09 h ASN 68 Ca 0.18 -0.05 -0.08 0.00 0.71 0.00 0.00 56.30 57.06 1y09 h ASN 68 Cb 0.04 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 1y09 h ASN 68 CO -0.03 0.71 -0.09 0.00 -1.29 0.00 0.00 177.43 176.73 1y09 h ALA 69 N 1.27 1.09 -0.46 1.57 0.00 -0.76 0.21 119.26 122.19 1y09 h ALA 69 Ca 0.29 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1y09 h ALA 69 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1y09 h ALA 69 CO -0.06 0.56 0.07 0.28 0.00 0.00 0.00 179.25 180.10 1y09 h VAL 70 N 0.64 1.25 0.00 0.00 2.07 -0.73 -1.09 116.25 118.39 1y09 h VAL 70 Ca 0.12 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1y09 h VAL 70 Cb 0.53 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1y09 h VAL 70 CO 0.03 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.95 1y09 h ALA 71 N 0.95 1.00 -0.82 1.67 0.00 -0.14 -2.76 119.26 119.16 1y09 h ALA 71 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.57 1y09 h ALA 71 Cb 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.77 1y09 h ALA 71 CO 0.01 0.00 -0.90 0.72 0.00 0.00 0.00 179.25 179.08 1y09 n HIS 72 N -2.87 2.42 0.28 0.00 8.25 -0.04 -4.90 115.22 118.36 1y09 n HIS 72 Ca -0.01 -2.38 0.15 0.00 -0.26 0.00 0.00 57.72 55.21 1y09 n HIS 72 Cb 0.15 -0.28 0.85 0.00 1.12 0.00 0.00 29.99 31.83 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 3.06 0.49 -0.11 1.59 3.04 -0.97 0.28 116.25 123.63 1y09 h VAL 73 Ca 0.21 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1y09 h VAL 73 Cb 1.36 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1y09 h VAL 73 CO 0.63 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.71 1y09 n ASP 74 N -3.67 1.52 -2.74 3.17 8.00 -1.26 -4.26 116.55 117.31 1y09 n ASP 74 Ca -0.02 -1.62 -0.04 0.00 0.71 0.00 0.00 54.79 53.82 1y09 n ASP 74 Cb 0.16 -0.07 0.07 0.00 -0.02 0.00 0.00 41.12 41.26 1y09 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y09 n ASP 75 N 0.21 0.47 -0.13 -2.24 2.03 0.95 -5.00 116.55 112.83 1y09 n ASP 75 Ca 0.17 -2.33 -0.10 0.00 0.52 0.00 0.00 54.79 53.05 1y09 n ASP 75 Cb 0.32 -0.06 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 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 2.34 0.65 -1.00 -0.67 2.86 -1.68 -0.82 114.93 116.61 1y09 h MET 76 Ca -0.21 -0.19 0.13 0.00 -2.06 0.00 0.00 59.70 57.37 1y09 h MET 76 Cb 1.25 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.76 1y09 h MET 76 CO 0.17 0.73 0.63 -1.35 1.06 0.00 0.00 176.91 178.15 1y09 h PRO 77 N 0.48 0.92 0.15 -0.22 0.11 -1.94 -1.32 132.00 130.18 1y09 h PRO 77 Ca 0.11 -0.06 -0.24 0.00 0.11 0.00 0.00 66.00 65.92 1y09 h PRO 77 Cb 0.42 -0.21 0.03 0.00 0.11 0.00 0.00 31.00 31.35 1y09 h PRO 77 CO 0.01 0.61 -1.04 -0.91 -0.21 0.00 0.00 178.00 176.47 1y09 h ASN 78 N 0.95 0.65 0.10 -2.05 2.35 -1.89 -2.36 115.58 113.33 1y09 h ASN 78 Ca 0.51 -0.90 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1y09 h ASN 78 Cb 0.56 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1y09 h ASN 78 CO -0.28 1.49 -0.04 0.00 -1.65 0.00 0.00 177.43 176.95 1y09 h ALA 79 N 0.16 1.52 -0.25 -0.83 0.00 -0.95 -2.79 119.26 116.11 1y09 h ALA 79 Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1y09 h ALA 79 Cb 1.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1y09 h ALA 79 CO 0.20 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1y09 n LEU 80 N -3.89 2.71 -0.19 0.00 4.77 -0.52 -4.72 117.00 115.17 1y09 n LEU 80 Ca -0.03 -1.57 -0.06 0.00 -0.03 0.00 0.00 56.01 54.32 1y09 n LEU 80 Cb 0.13 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1y09 n LEU 80 CO 0.29 0.62 0.61 -1.28 -1.33 0.00 0.00 177.39 176.30 1y09 h SER 81 N 2.58 -1.24 -0.98 -1.43 0.87 -1.13 -0.92 113.55 111.30 1y09 h SER 81 Ca 0.00 0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 1y09 h SER 81 Cb 0.69 0.60 -0.07 0.00 -0.44 0.00 0.00 62.40 63.18 1y09 h SER 81 CO 0.00 -0.32 0.63 0.00 -0.53 0.00 0.00 176.83 176.61 1y09 h ALA 82 N 0.87 1.48 -0.13 6.23 0.00 -1.84 -0.84 119.26 125.02 1y09 h ALA 82 Ca 0.21 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1y09 h ALA 82 Cb 0.55 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y09 h ALA 82 CO -0.67 0.34 -0.66 -0.07 0.00 0.00 0.00 179.25 178.19 1y09 h LEU 83 N 1.07 0.59 -0.95 0.00 3.38 -1.67 -2.07 115.31 115.66 1y09 h LEU 83 Ca 0.44 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1y09 h LEU 83 Cb 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1y09 h LEU 83 CO -0.19 1.09 0.01 -1.28 0.09 0.00 0.00 178.44 178.16 1y09 h SER 84 N 0.36 0.74 -0.19 -0.43 0.87 -0.48 -1.72 113.55 112.70 1y09 h SER 84 Ca -0.02 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1y09 h SER 84 Cb 1.23 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1y09 h SER 84 CO 0.12 0.80 -0.02 0.44 -0.53 0.00 0.00 176.83 177.64 1y09 h ASP 85 N 0.72 0.34 -0.33 6.23 3.32 -0.57 -2.65 116.42 123.49 1y09 h ASP 85 Ca 0.14 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1y09 h ASP 85 Cb 0.43 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1y09 h ASP 85 CO 0.02 0.60 0.09 0.25 -1.72 0.00 0.00 179.24 178.47 1y09 h LEU 86 N 0.08 0.07 -0.46 1.55 7.12 -1.30 -0.16 115.31 122.20 1y09 h LEU 86 Ca 0.05 0.04 -0.14 0.00 0.13 0.00 0.00 57.88 57.97 1y09 h LEU 86 Cb 0.43 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1y09 h LEU 86 CO 0.01 0.07 -0.24 0.45 -0.13 0.00 0.00 178.44 178.60 1y09 h HIS 87 N 0.21 1.14 -0.24 1.25 3.86 -1.33 0.01 115.15 120.06 1y09 h HIS 87 Ca 0.15 -0.29 -0.17 0.00 -1.16 0.00 0.00 60.37 58.90 1y09 h HIS 87 Cb 0.14 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1y09 h HIS 87 CO -0.16 1.12 -0.54 0.00 0.86 0.00 0.00 177.93 179.21 1y09 h ALA 88 N 0.85 0.61 0.00 2.45 0.00 -1.28 0.94 119.26 122.83 1y09 h ALA 88 Ca 0.10 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1y09 h ALA 88 Cb 0.83 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1y09 h ALA 88 CO 0.07 0.68 -2.00 0.72 0.00 0.00 0.00 179.25 178.73 1y09 n HIS 89 N -3.98 0.00 -0.04 0.00 8.25 -0.09 -4.61 115.22 114.75 1y09 n HIS 89 Ca -0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 1y09 n HIS 89 Cb 0.61 -0.67 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.45 0.19 0.03 -0.41 4.81 -0.14 -4.85 118.16 115.34 1y09 n LYS 90 Ca -0.20 0.09 -0.15 0.00 -0.87 0.00 0.00 58.31 57.18 1y09 n LYS 90 Cb 0.87 -0.83 -0.14 0.00 0.02 0.00 0.00 35.03 34.95 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 -0.33 0.26 -1.43 3.14 3.38 -1.21 -3.48 115.31 115.65 1y09 h LEU 91 Ca -0.23 -0.43 -0.48 0.00 0.09 0.00 0.00 57.88 56.83 1y09 h LEU 91 Cb 1.18 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1y09 h LEU 91 CO -0.14 1.37 -0.82 0.54 0.09 0.00 0.00 178.44 179.48 1y09 n ARG 92 N -3.34 -4.52 -2.18 1.13 1.74 0.33 -4.90 116.66 104.91 1y09 n ARG 92 Ca -0.18 0.53 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 1y09 n ARG 92 Cb 1.04 -5.13 -0.03 0.00 -1.02 0.00 0.00 32.46 27.32 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 -3.55 2.96 0.30 1.55 1.01 -1.26 -4.96 120.40 116.45 1y09 s VAL 93 Ca 0.34 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 1y09 s VAL 93 Cb -0.18 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 1y09 s VAL 93 CO 0.85 0.18 1.40 -0.62 0.00 0.00 0.00 175.10 176.91 1y09 s ASP 94 N -0.19 6.66 0.45 3.32 -1.08 -1.26 -4.89 116.67 119.67 1y09 s ASP 94 Ca 0.52 2.72 0.20 0.00 -0.52 0.00 0.00 52.55 55.48 1y09 s ASP 94 Cb -0.38 -2.64 1.17 0.00 -1.46 0.00 0.00 42.92 39.62 1y09 s ASP 94 CO 0.46 -0.66 1.88 -0.65 0.52 0.00 0.00 175.17 176.71 1y09 h PRO 95 N 4.17 0.30 0.00 4.34 0.11 -2.00 -1.03 132.00 137.88 1y09 h PRO 95 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1y09 h PRO 95 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1y09 h PRO 95 CO 0.71 0.20 -0.19 -0.39 -0.21 0.00 0.00 178.00 178.12 1y09 h VAL 96 N 0.31 0.98 0.00 3.15 -1.51 -2.03 -2.36 116.25 114.78 1y09 h VAL 96 Ca 0.44 -0.69 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 1y09 h VAL 96 Cb 1.23 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1y09 h VAL 96 CO -0.13 0.19 -0.10 0.00 -1.23 0.00 0.00 177.57 176.30 1y09 h ALA 97 N 1.81 1.50 -0.29 5.19 0.00 -1.55 -1.73 119.26 124.19 1y09 h ALA 97 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1y09 h ALA 97 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1y09 h ALA 97 CO 0.02 0.12 -0.04 0.74 0.00 0.00 0.00 179.25 180.10 1y09 h PHE 98 N 0.00 0.47 -0.16 0.00 -1.00 -1.57 -1.70 116.94 112.98 1y09 h PHE 98 Ca -0.00 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.64 1y09 h PHE 98 Cb 0.22 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1y09 h PHE 98 CO 0.00 0.49 -0.31 0.87 -1.61 0.00 0.00 178.31 177.76 1y09 h LYS 99 N 0.43 0.31 -0.06 1.51 1.57 -1.45 -0.22 116.57 118.67 1y09 h LYS 99 Ca 0.09 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1y09 h LYS 99 Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1y09 h LYS 99 CO 0.01 0.59 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.26 1y09 h LEU 100 N 0.27 0.23 -0.52 2.94 3.38 -1.28 -2.04 115.31 118.29 1y09 h LEU 100 Ca 0.04 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1y09 h LEU 100 Cb 0.68 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1y09 h LEU 100 CO 0.05 0.79 0.27 0.25 0.09 0.00 0.00 178.44 179.89 1y09 h LEU 101 N -0.32 0.66 -0.79 1.67 5.85 -1.34 -2.26 115.31 118.77 1y09 h LEU 101 Ca -0.00 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1y09 h LEU 101 Cb 0.77 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1y09 h LEU 101 CO 0.03 0.57 0.46 0.28 -0.34 0.00 0.00 178.44 179.44 1y09 h SER 102 N 0.69 0.68 -0.47 1.25 0.02 -1.02 -0.05 113.55 114.64 1y09 h SER 102 Ca 0.18 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1y09 h SER 102 Cb 0.07 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1y09 h SER 102 CO -0.03 0.42 0.26 -0.74 -1.14 0.00 0.00 176.83 175.60 1y09 h HIS 103 N 0.81 0.64 -0.55 3.45 -0.00 -1.01 -2.60 115.15 115.89 1y09 h HIS 103 Ca 0.36 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.66 1y09 h HIS 103 Cb 0.25 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 1y09 h HIS 103 CO -0.06 0.48 0.13 0.00 -0.00 0.00 0.00 177.93 178.48 1y09 h LEU 105 N 0.81 0.43 -0.31 0.00 3.38 -0.98 -1.37 115.31 117.27 1y09 h LEU 105 Ca 0.18 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1y09 h LEU 105 Cb 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1y09 h LEU 105 CO -0.00 0.55 -0.47 -0.07 0.09 0.00 0.00 178.44 178.54 1y09 h LEU 106 N 0.43 0.95 -0.45 1.67 3.38 -0.96 -0.62 115.31 119.71 1y09 h LEU 106 Ca 0.09 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1y09 h LEU 106 Cb 0.39 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1y09 h LEU 106 CO 0.02 1.28 0.23 0.58 0.09 0.00 0.00 178.44 180.64 1y09 h VAL 107 N 0.66 1.17 -0.09 1.22 2.07 -0.98 -0.54 116.25 119.76 1y09 h VAL 107 Ca 0.03 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1y09 h VAL 107 Cb 1.07 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1y09 h VAL 107 CO 0.11 0.19 0.05 0.74 0.02 0.00 0.00 177.57 178.68 1y09 h THR 108 N 0.59 1.02 -0.88 2.57 2.02 -1.13 -0.83 112.91 116.26 1y09 h THR 108 Ca 0.16 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1y09 h THR 108 Cb 0.09 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1y09 h THR 108 CO -0.02 0.02 0.55 -0.07 0.37 0.00 0.00 175.52 176.37 1y09 h LEU 109 N 0.11 1.05 -0.81 2.58 3.38 -0.99 -2.47 115.31 118.16 1y09 h LEU 109 Ca 0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1y09 h LEU 109 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1y09 h LEU 109 CO -0.01 0.79 0.09 0.00 0.09 0.00 0.00 178.44 179.39 1y09 h ALA 110 N 1.39 1.02 0.00 1.53 0.00 -0.56 -0.68 119.26 121.96 1y09 h ALA 110 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y09 h ALA 110 Cb -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1y09 h ALA 110 CO -0.06 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1y09 n ALA 111 N -2.47 1.73 0.16 0.00 0.00 -0.37 -3.47 120.51 116.09 1y09 n ALA 111 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1y09 n ALA 111 Cb 0.28 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1y09 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y09 n HIS 112 N -2.07 0.00 -3.30 0.00 8.25 -0.87 -4.81 115.22 112.43 1y09 n HIS 112 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 1y09 n HIS 112 Cb 0.24 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.24 2.91 0.01 2.41 4.32 -0.32 -4.91 117.00 120.17 1y09 n LEU 113 Ca 0.00 -5.29 0.04 0.00 -0.02 0.00 0.00 56.01 50.75 1y09 n LEU 113 Cb 0.08 -0.29 0.43 0.00 -1.62 0.00 0.00 43.42 42.02 1y09 n LEU 113 CO 0.09 2.11 1.15 1.55 -1.22 0.00 0.00 177.39 181.07 1y09 h PRO 114 N 3.92 0.51 0.12 3.23 0.13 -1.85 -2.01 132.00 136.05 1y09 h PRO 114 Ca 0.16 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 64.95 1y09 h PRO 114 Cb 0.70 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1y09 h PRO 114 CO 0.73 0.35 -1.48 0.00 -0.23 0.00 0.00 178.00 177.37 1y09 h ALA 115 N 1.74 0.25 0.00 -0.56 0.00 -1.94 -3.38 119.26 115.38 1y09 h ALA 115 Ca 0.14 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1y09 h ALA 115 Cb -0.04 0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y09 h ALA 115 CO -0.03 1.12 -0.82 -0.85 0.00 0.00 0.00 179.25 178.67 1y09 n GLU 116 N -3.46 0.31 -1.80 0.00 0.00 -1.04 -4.58 120.64 110.07 1y09 n GLU 116 Ca -0.15 0.05 -0.41 0.00 0.00 0.00 0.00 57.16 56.65 1y09 n GLU 116 Cb 1.04 -1.65 -0.01 0.00 0.00 0.00 0.00 31.44 30.82 1y09 n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1y09 n PHE 117 N -2.07 2.98 -2.02 -1.84 7.35 -0.78 -4.73 117.46 116.34 1y09 n PHE 117 Ca 0.02 -2.94 -0.28 0.00 -0.76 0.00 0.00 57.45 53.49 1y09 n PHE 117 Cb 0.44 -2.30 0.07 0.00 0.35 0.00 0.00 39.48 38.05 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 1.67 2.47 0.15 -2.13 -4.23 -1.26 -4.80 115.64 107.51 1y09 s THR 118 Ca 0.52 0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.87 1y09 s THR 118 Cb 0.15 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1y09 s THR 118 CO -0.06 -0.15 1.72 -0.65 -0.54 0.00 0.00 174.62 174.94 1y09 h PRO 119 N -0.79 0.13 -0.48 3.99 0.11 -1.99 0.34 132.00 133.31 1y09 h PRO 119 Ca -0.45 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1y09 h PRO 119 Cb 1.31 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1y09 h PRO 119 CO 0.64 0.08 0.18 0.00 -0.21 0.00 0.00 178.00 178.69 1y09 h ALA 120 N 1.24 0.59 -0.06 -0.75 0.00 -1.96 -0.73 119.26 117.59 1y09 h ALA 120 Ca 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1y09 h ALA 120 Cb 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y09 h ALA 120 CO -0.22 -0.21 -0.09 0.28 0.00 0.00 0.00 179.25 179.01 1y09 h VAL 121 N 0.36 1.40 -0.63 0.00 2.07 -1.76 -0.99 116.25 116.71 1y09 h VAL 121 Ca 0.23 -1.34 0.13 0.00 0.82 0.00 0.00 66.70 66.54 1y09 h VAL 121 Cb 0.23 2.14 -0.11 0.00 -1.52 0.00 0.00 31.29 32.03 1y09 h VAL 121 CO -0.22 0.37 -0.02 -0.74 0.02 0.00 0.00 177.57 176.97 1y09 h HIS 122 N -0.30 -0.09 -0.17 1.57 6.17 -0.18 0.34 115.15 122.50 1y09 h HIS 122 Ca 0.01 0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.16 1y09 h HIS 122 Cb 0.64 0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.69 1y09 h HIS 122 CO 0.10 -0.19 0.01 0.00 0.71 0.00 0.00 177.93 178.56 1y09 h ALA 123 N 1.59 0.15 -0.44 5.26 0.00 -1.03 0.31 119.26 125.09 1y09 h ALA 123 Ca 0.33 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1y09 h ALA 123 Cb 0.53 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1y09 h ALA 123 CO -0.56 -0.43 0.14 0.77 0.00 0.00 0.00 179.25 179.17 1y09 h SER 124 N 0.07 0.65 -0.56 0.00 0.02 0.31 -1.72 113.55 112.31 1y09 h SER 124 Ca 0.08 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1y09 h SER 124 Cb 0.09 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1y09 h SER 124 CO -0.12 0.68 0.20 -0.07 -1.14 0.00 0.00 176.83 176.37 1y09 h LEU 125 N 0.58 0.83 0.08 5.07 3.38 -0.16 -0.73 115.31 124.35 1y09 h LEU 125 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y09 h LEU 125 Cb 0.27 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1y09 h LEU 125 CO -0.00 0.78 -0.04 -0.78 0.09 0.00 0.00 178.44 178.48 1y09 h ASP 126 N 0.87 -0.09 -0.66 -0.43 3.58 -0.43 -0.28 116.42 118.99 1y09 h ASP 126 Ca 0.20 -0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.68 1y09 h ASP 126 Cb 0.24 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.24 1y09 h ASP 126 CO -0.01 0.01 0.29 0.11 -2.88 0.00 0.00 179.24 176.76 1y09 h LYS 127 N -0.18 0.48 -0.06 0.28 1.57 -1.18 -1.40 116.57 116.08 1y09 h LYS 127 Ca -0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1y09 h LYS 127 Cb 0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1y09 h LYS 127 CO 0.02 0.32 -0.03 0.35 -0.57 0.00 0.00 179.45 179.53 1y09 h PHE 128 N 0.49 -0.08 0.00 -1.35 3.57 -0.73 -0.44 116.94 118.41 1y09 h PHE 128 Ca 0.33 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1y09 h PHE 128 Cb 0.39 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1y09 h PHE 128 CO -0.14 -0.06 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.58 1y09 h LEU 129 N -0.03 0.00 -0.71 0.59 3.38 -0.80 -0.43 115.31 117.30 1y09 h LEU 129 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1y09 h LEU 129 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1y09 h LEU 129 CO -0.08 0.24 -0.51 0.00 0.09 0.00 0.00 178.44 178.17 1y09 h ALA 130 N 1.76 0.89 -0.28 1.53 0.00 -0.48 -1.53 119.26 121.15 1y09 h ALA 130 Ca -0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1y09 h ALA 130 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y09 h ALA 130 CO 0.03 0.67 -0.48 0.77 0.00 0.00 0.00 179.25 180.25 1y09 h SER 131 N 0.27 0.82 -0.52 0.00 0.02 -0.02 -0.88 113.55 113.24 1y09 h SER 131 Ca 0.01 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1y09 h SER 131 Cb 0.99 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1y09 h SER 131 CO 0.09 1.16 0.13 0.58 -1.14 0.00 0.00 176.83 177.64 1y09 h VAL 132 N 0.59 1.24 -0.72 2.27 2.07 -1.02 -1.99 116.25 118.70 1y09 h VAL 132 Ca 0.03 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1y09 h VAL 132 Cb 1.04 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1y09 h VAL 132 CO 0.10 0.31 0.18 0.28 0.02 0.00 0.00 177.57 178.46 1y09 h SER 133 N 0.73 1.08 -0.77 0.57 0.02 -1.11 -1.39 113.55 112.68 1y09 h SER 133 Ca 0.16 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1y09 h SER 133 Cb 0.33 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1y09 h SER 133 CO 0.00 1.03 0.46 0.74 -1.14 0.00 0.00 176.83 177.92 1y09 h THR 134 N 1.08 1.22 -0.26 -2.27 2.02 -0.94 -2.26 112.91 111.50 1y09 h THR 134 Ca 0.23 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1y09 h THR 134 Cb 0.37 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1y09 h THR 134 CO 0.00 0.23 0.00 0.58 0.37 0.00 0.00 175.52 176.71 1y09 h VAL 135 N 1.06 1.25 0.00 3.16 2.07 -0.86 -0.92 116.25 122.01 1y09 h VAL 135 Ca 0.28 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1y09 h VAL 135 Cb -0.02 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1y09 h VAL 135 CO -0.05 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 1y09 h LEU 136 N 0.24 0.00 -0.63 2.57 3.38 -1.08 -2.96 115.31 116.83 1y09 h LEU 136 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1y09 h LEU 136 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1y09 h LEU 136 CO 0.01 0.00 -0.26 0.41 0.09 0.00 0.00 178.44 178.69 1y09 n THR 137 N -2.33 0.00 0.32 0.22 -1.04 -0.87 -4.53 114.28 106.04 1y09 n THR 137 Ca 0.01 -0.37 0.21 0.00 -2.04 0.00 0.00 64.05 61.86 1y09 n THR 137 Cb 0.20 1.10 1.05 0.00 -1.82 0.00 0.00 70.33 70.86 1y09 n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y09 h SER 138 N 0.97 0.00 -0.26 8.00 4.64 -0.99 -2.37 113.55 123.55 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 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 -3.09 2.80 0.12 4.77 5.02 -1.26 -4.63 118.16 121.89 1y09 n LYS 139 Ca -0.02 -2.53 0.04 0.00 -2.02 0.00 0.00 58.31 53.78 1y09 n LYS 139 Cb 0.15 -1.62 0.46 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 1.66 0.26 0.00 2.13 -1.99 -1.75 -3.46 116.97 113.81 1y09 h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1y09 h TYR 140 Cb 1.16 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.81 1y09 h TYR 140 CO 0.36 0.27 0.00 2.89 -0.00 0.00 0.00 178.16 181.69