#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw6 h THR 7 N 0.00 1.43 -0.36 2.46 2.02 -2.05 -2.90 112.91 113.51 1pw6 h THR 7 Ca 0.00 -2.14 -0.09 0.00 0.77 0.00 0.00 66.41 64.95 1pw6 h THR 7 Cb 0.00 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1pw6 h THR 7 CO 0.00 0.62 -0.14 0.50 0.37 0.00 0.00 175.52 176.88 1pw6 h LYS 8 N 0.11 0.65 -0.59 6.66 3.64 -2.05 0.11 116.57 125.10 1pw6 h LYS 8 Ca -0.01 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1pw6 h LYS 8 Cb 1.17 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1pw6 h LYS 8 CO 0.10 0.76 0.36 -0.22 -2.27 0.00 0.00 179.45 178.18 1pw6 h LYS 9 N 0.59 0.80 -0.53 1.90 3.64 -1.97 0.13 116.57 121.12 1pw6 h LYS 9 Ca 0.10 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1pw6 h LYS 9 Cb 0.58 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1pw6 h LYS 9 CO 0.04 0.57 0.03 1.15 -2.27 0.00 0.00 179.45 178.97 1pw6 h THR 10 N 0.79 1.26 -0.60 1.00 2.02 -1.30 -1.90 112.91 114.19 1pw6 h THR 10 Ca 0.21 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 1pw6 h THR 10 Cb -0.02 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1pw6 h THR 10 CO -0.04 0.37 0.35 -0.61 0.37 0.00 0.00 175.52 175.96 1pw6 h GLN 11 N 0.80 0.82 -0.31 6.66 4.15 -0.34 -0.31 115.11 126.56 1pw6 h GLN 11 Ca 0.15 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 1pw6 h GLN 11 Cb 0.49 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1pw6 h GLN 11 CO 0.02 0.60 -0.30 -0.07 -1.93 0.00 0.00 178.83 177.14 1pw6 h LEU 12 N 0.81 0.81 -0.87 -2.39 3.38 -0.73 -1.35 115.31 114.97 1pw6 h LEU 12 Ca 0.21 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1pw6 h LEU 12 Cb -0.00 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1pw6 h LEU 12 CO -0.04 1.11 0.56 1.56 0.09 0.00 0.00 178.44 181.73 1pw6 h GLN 13 N 0.53 1.06 -0.58 1.13 4.20 -1.18 -1.34 115.11 118.94 1pw6 h GLN 13 Ca 0.05 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1pw6 h GLN 13 Cb 0.88 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1pw6 h GLN 13 CO 0.08 0.70 0.02 -0.07 -0.67 0.00 0.00 178.83 178.89 1pw6 h LEU 14 N 1.09 0.95 -0.92 1.46 3.38 -0.94 -1.92 115.31 118.41 1pw6 h LEU 14 Ca 0.35 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1pw6 h LEU 14 Cb 0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1pw6 h LEU 14 CO -0.12 0.99 0.42 -0.08 0.09 0.00 0.00 178.44 179.75 1pw6 h GLU 15 N 0.91 1.20 -0.44 1.13 4.57 -0.63 0.30 114.58 121.62 1pw6 h GLU 15 Ca 0.17 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1pw6 h GLU 15 Cb 0.50 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1pw6 h GLU 15 CO 0.02 0.90 -0.30 0.45 -1.18 0.00 0.00 179.01 178.91 1pw6 h HIS 16 N 1.19 1.14 0.34 0.92 3.86 -1.11 -1.94 115.15 119.55 1pw6 h HIS 16 Ca 0.29 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1pw6 h HIS 16 Cb 0.08 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1pw6 h HIS 16 CO 0.01 1.14 -0.18 1.25 0.86 0.00 0.00 177.93 181.01 1pw6 h LEU 17 N 0.81 -0.43 -0.41 2.43 5.85 -0.97 -0.19 115.31 122.39 1pw6 h LEU 17 Ca 0.09 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1pw6 h LEU 17 Cb 0.89 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 1pw6 h LEU 17 CO 0.08 -0.30 -0.07 0.25 -0.34 0.00 0.00 178.44 178.06 1pw6 h LEU 18 N -0.48 -0.32 -0.80 2.25 5.85 -0.96 -1.51 115.31 119.34 1pw6 h LEU 18 Ca -0.04 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1pw6 h LEU 18 Cb 0.38 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1pw6 h LEU 18 CO 0.06 -0.11 0.47 -0.07 -0.34 0.00 0.00 178.44 178.45 1pw6 h LEU 19 N 0.03 0.98 -0.54 2.25 3.38 -1.21 -1.30 115.31 118.89 1pw6 h LEU 19 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1pw6 h LEU 19 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1pw6 h LEU 19 CO -0.40 0.77 0.29 0.44 0.09 0.00 0.00 178.44 179.63 1pw6 h ASP 20 N 1.10 0.68 -0.48 -0.43 3.32 -0.41 -0.84 116.42 119.38 1pw6 h ASP 20 Ca 0.29 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1pw6 h ASP 20 Cb -0.02 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1pw6 h ASP 20 CO -0.05 0.59 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.92 1pw6 h LEU 21 N 0.73 0.93 -0.94 1.55 3.38 -1.10 -2.86 115.31 116.99 1pw6 h LEU 21 Ca 0.19 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1pw6 h LEU 21 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1pw6 h LEU 21 CO -0.03 1.03 -0.21 1.56 0.09 0.00 0.00 178.44 180.88 1pw6 h GLN 22 N 0.85 0.53 -0.14 1.13 4.20 -0.93 -1.90 115.11 118.84 1pw6 h GLN 22 Ca 0.14 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1pw6 h GLN 22 Cb 0.60 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1pw6 h GLN 22 CO 0.04 0.71 0.09 0.52 -0.67 0.00 0.00 178.83 179.52 1pw6 h MET 23 N 0.47 0.19 -0.33 1.46 2.86 -1.01 -0.11 114.93 118.47 1pw6 h MET 23 Ca 0.07 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1pw6 h MET 23 Cb 0.63 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1pw6 h MET 23 CO 0.04 0.15 0.21 0.82 1.06 0.00 0.00 176.91 179.19 1pw6 h ILE 24 N 0.18 1.10 -0.63 -1.22 2.04 -1.33 -0.46 117.51 117.18 1pw6 h ILE 24 Ca 0.05 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1pw6 h ILE 24 Cb 0.00 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1pw6 h ILE 24 CO -0.01 0.09 0.38 0.25 0.00 0.00 0.00 178.15 178.86 1pw6 h LEU 25 N 0.43 0.61 -1.16 1.44 5.85 -1.18 -2.04 115.31 119.26 1pw6 h LEU 25 Ca 0.12 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1pw6 h LEU 25 Cb -0.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1pw6 h LEU 25 CO -0.02 0.42 -0.32 0.78 -0.34 0.00 0.00 178.44 178.95 1pw6 h ASN 26 N 0.74 0.16 0.63 1.25 4.21 -0.75 -2.41 115.58 119.41 1pw6 h ASN 26 Ca 0.26 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1pw6 h ASN 26 Cb 0.06 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1pw6 h ASN 26 CO -0.12 0.49 0.00 0.61 -1.29 0.00 0.00 177.43 177.12 1pw6 n GLY 27 N -0.46 -1.15 0.08 2.83 0.00 -0.20 -3.30 105.19 102.99 1pw6 n GLY 27 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1pw6 n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pw6 h ILE 28 N 0.00 1.02 0.00 -0.61 2.04 -0.96 -3.35 117.51 115.65 1pw6 h ILE 28 Ca 0.00 -2.76 -0.08 0.00 1.00 0.00 0.00 64.86 63.02 1pw6 h ILE 28 Cb 0.31 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1pw6 h ILE 28 CO 0.00 0.58 -0.36 0.78 0.00 0.00 0.00 178.15 179.15 1pw6 h ASN 29 N 0.00 0.00 1.05 1.72 2.35 -1.62 -3.22 115.58 115.86 1pw6 h ASN 29 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1pw6 h ASN 29 Cb 1.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.23 1pw6 h ASN 29 CO 0.09 0.36 0.00 0.78 -1.65 0.00 0.00 177.43 177.01 1pw6 h ASN 30 N 0.00 0.00 -3.42 5.81 2.35 -1.71 -3.46 115.58 115.16 1pw6 h ASN 30 Ca -0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.31 1pw6 h ASN 30 Cb 0.91 0.00 0.20 0.00 0.05 0.00 0.00 38.32 39.48 1pw6 h ASN 30 CO 0.05 0.00 0.06 -0.31 -1.65 0.00 0.00 177.43 175.57 1pw6 s TYR 31 N -3.45 1.56 0.00 1.19 2.02 -1.22 -5.06 117.35 112.39 1pw6 s TYR 31 Ca 0.04 1.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1pw6 s TYR 31 Cb 0.09 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.50 1pw6 s TYR 31 CO 0.51 -3.64 0.00 1.63 -1.57 0.00 0.00 175.55 172.48 1pw6 n LYS 32 N -4.74 0.00 0.00 -0.62 4.01 -1.26 -4.88 118.16 110.67 1pw6 n LYS 32 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1pw6 n LYS 32 Cb 0.55 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.07 1pw6 n LYS 32 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1pw6 n ASN 33 N 0.00 1.09 0.16 4.39 3.02 -1.26 -4.43 115.26 118.23 1pw6 n ASN 33 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1pw6 n ASN 33 Cb 0.00 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 39.71 1pw6 n ASN 33 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1pw6 h PRO 34 N 0.00 0.00 0.00 3.52 0.11 -2.00 -2.84 132.00 130.79 1pw6 h PRO 34 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 1pw6 h PRO 34 Cb 0.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1pw6 h PRO 34 CO 0.00 0.00 -0.69 -0.22 -0.21 0.00 0.00 178.00 176.88 1pw6 h LYS 35 N 0.00 0.00 -0.29 1.05 3.64 -1.96 -3.31 116.57 115.70 1pw6 h LYS 35 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pw6 h LYS 35 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1pw6 h LYS 35 CO 0.00 0.87 0.10 1.25 -2.27 0.00 0.00 179.45 179.41 1pw6 h LEU 36 N -1.00 0.41 -0.42 5.20 5.85 -1.77 -0.23 115.31 123.35 1pw6 h LEU 36 Ca -0.18 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1pw6 h LEU 36 Cb 1.07 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1pw6 h LEU 36 CO -0.11 0.49 0.19 0.74 -0.34 0.00 0.00 178.44 179.41 1pw6 h THR 37 N 0.32 1.19 -0.15 1.05 2.02 -1.73 -1.76 112.91 113.84 1pw6 h THR 37 Ca 0.10 -0.55 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 1pw6 h THR 37 Cb 0.21 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1pw6 h THR 37 CO -0.01 0.21 -0.36 -0.09 0.37 0.00 0.00 175.52 175.64 1pw6 h ARG 38 N 0.54 0.32 -0.31 6.66 9.65 -1.63 -2.98 114.38 126.62 1pw6 h ARG 38 Ca 0.14 -0.14 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 1pw6 h ARG 38 Cb 0.15 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1pw6 h ARG 38 CO -0.02 0.64 -0.21 1.98 2.80 0.00 0.00 179.97 185.16 1pw6 h MET 39 N 0.27 0.58 0.00 0.20 4.05 -0.73 -3.12 114.93 116.19 1pw6 h MET 39 Ca 0.03 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1pw6 h MET 39 Cb 0.77 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1pw6 h MET 39 CO 0.06 0.76 0.00 1.28 0.23 0.00 0.00 176.91 179.24 1pw6 n LEU 40 N -4.13 0.29 0.24 3.39 4.77 -0.69 -2.72 117.00 118.15 1pw6 n LEU 40 Ca 0.00 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1pw6 n LEU 40 Cb 0.40 -0.49 0.42 0.00 -2.33 0.00 0.00 43.42 41.42 1pw6 n LEU 40 CO 0.42 -0.24 0.88 0.71 -1.33 0.00 0.00 177.39 177.83 1pw6 h THR 41 N 0.00 0.08 -2.95 -5.08 1.35 -1.58 -3.44 112.91 101.29 1pw6 h THR 41 Ca 0.00 -0.84 -0.54 0.00 -0.55 0.00 0.00 66.41 64.49 1pw6 h THR 41 Cb 0.43 1.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1pw6 h THR 41 CO 0.00 0.04 0.78 0.12 -0.25 0.00 0.00 175.52 176.20 1pw6 s PHE 42 N -3.44 3.03 -0.13 4.73 2.19 -1.10 -5.01 117.98 118.25 1pw6 s PHE 42 Ca 0.04 0.88 -0.05 0.00 0.33 0.00 0.00 56.93 58.12 1pw6 s PHE 42 Cb 0.07 -3.67 -0.04 0.00 -1.31 0.00 0.00 43.02 38.08 1pw6 s PHE 42 CO 0.61 -2.42 0.06 0.15 1.83 0.00 0.00 175.22 175.46 1pw6 s LYS 43 N 1.78 3.48 0.13 10.12 -0.14 -1.26 -4.14 119.74 129.71 1pw6 s LYS 43 Ca 0.64 -0.31 0.10 0.00 -1.36 0.00 0.00 55.97 55.04 1pw6 s LYS 43 Cb -0.34 -3.06 -0.04 0.00 -1.68 0.00 0.00 37.83 32.71 1pw6 s LYS 43 CO 0.29 0.56 -0.20 -0.06 -0.76 0.00 0.00 175.35 175.17 1pw6 s PHE 44 N -0.45 2.47 0.10 3.18 0.08 0.14 -4.87 117.98 118.62 1pw6 s PHE 44 Ca 0.10 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.55 1pw6 s PHE 44 Cb -0.12 -1.31 -0.06 0.00 -0.57 0.00 0.00 43.02 40.97 1pw6 s PHE 44 CO 0.02 0.39 0.97 0.71 -0.10 0.00 0.00 175.22 177.21 1pw6 s TYR 45 N -1.17 3.78 -0.10 0.36 2.02 -1.26 -1.11 117.35 119.87 1pw6 s TYR 45 Ca 0.17 1.78 -0.02 0.00 -0.37 0.00 0.00 57.07 58.63 1pw6 s TYR 45 Cb -0.10 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.35 1pw6 s TYR 45 CO 0.09 0.13 -0.03 -1.64 -1.57 0.00 0.00 175.55 172.53 1pw6 s MET 46 N 0.11 3.14 0.28 -0.62 -1.94 -1.26 -4.94 119.30 114.06 1pw6 s MET 46 Ca 0.48 -0.48 -0.29 0.00 -1.71 0.00 0.00 55.69 53.68 1pw6 s MET 46 Cb -0.23 -2.78 -0.10 0.00 2.01 0.00 0.00 34.83 33.73 1pw6 s MET 46 CO 0.30 0.55 1.29 -1.25 -0.01 0.00 0.00 175.02 175.90 1pw6 s PRO 47 N -0.46 4.39 0.25 2.03 0.04 -1.26 -0.49 135.00 139.50 1pw6 s PRO 47 Ca 0.08 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 1pw6 s PRO 47 Cb -0.12 -3.13 0.31 0.00 0.04 0.00 0.00 34.50 31.61 1pw6 s PRO 47 CO 0.02 -0.18 1.71 0.87 0.04 0.00 0.00 177.00 179.46 1pw6 h LYS 48 N 4.19 0.69 -3.63 4.56 1.57 -0.72 -3.43 116.57 119.80 1pw6 h LYS 48 Ca -0.47 -0.24 -0.40 0.00 -1.87 0.00 0.00 60.65 57.67 1pw6 h LYS 48 Cb 1.22 -0.05 -0.37 0.00 0.08 0.00 0.00 32.23 33.10 1pw6 h LYS 48 CO 0.70 0.81 -0.76 0.21 -0.57 0.00 0.00 179.45 179.84 1pw6 s LYS 49 N -4.72 0.39 -0.39 3.15 2.20 -1.26 -5.03 119.74 114.08 1pw6 s LYS 49 Ca -0.09 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 1pw6 s LYS 49 Cb 0.14 -0.75 0.16 0.00 -1.51 0.00 0.00 37.83 35.86 1pw6 s LYS 49 CO 0.81 -0.26 0.39 0.00 -0.36 0.00 0.00 175.35 175.93 1pw6 s ALA 50 N 1.78 -0.27 0.00 3.13 0.00 -1.26 -4.93 121.76 120.21 1pw6 s ALA 50 Ca 0.01 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1pw6 s ALA 50 Cb -0.13 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1pw6 s ALA 50 CO -0.04 -2.14 0.00 0.25 0.00 0.00 0.00 175.76 173.84 1pw6 n THR 51 N 3.95 0.00 -4.33 0.00 -2.24 -1.26 -4.94 114.28 105.46 1pw6 n THR 51 Ca 0.14 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.66 1pw6 n THR 51 Cb 0.46 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 1pw6 n THR 51 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pw6 s GLU 52 N -0.50 1.32 0.33 -0.78 -1.05 -1.26 -4.87 118.70 111.89 1pw6 s GLU 52 Ca 0.00 -1.65 0.06 0.00 -0.15 0.00 0.00 54.97 53.23 1pw6 s GLU 52 Cb 0.00 -0.72 0.72 0.00 -0.44 0.00 0.00 34.13 33.68 1pw6 s GLU 52 CO 0.00 -0.03 1.86 -0.07 0.95 0.00 0.00 175.26 177.97 1pw6 h LEU 53 N 2.50 0.76 -2.38 1.83 3.38 -1.95 -1.73 115.31 117.73 1pw6 h LEU 53 Ca -0.38 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1pw6 h LEU 53 Cb 1.22 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1pw6 h LEU 53 CO 0.65 0.39 0.04 0.07 0.09 0.00 0.00 178.44 179.68 1pw6 h LYS 54 N 0.81 0.00 0.00 1.13 2.10 -1.83 -2.11 116.57 116.67 1pw6 h LYS 54 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1pw6 h LYS 54 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1pw6 h LYS 54 CO -0.23 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 177.94 1pw6 n HIS 55 N -3.91 0.00 0.53 0.07 8.25 -0.65 -3.10 115.22 116.41 1pw6 n HIS 55 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1pw6 n HIS 55 Cb 0.13 -0.12 0.32 0.00 1.12 0.00 0.00 29.99 31.44 1pw6 n HIS 55 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1pw6 n LEU 56 N -1.12 0.00 -0.24 2.41 4.77 -0.79 -1.51 117.00 120.52 1pw6 n LEU 56 Ca 0.14 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 1pw6 n LEU 56 Cb 0.12 -0.48 0.37 0.00 -2.33 0.00 0.00 43.42 41.11 1pw6 n LEU 56 CO 0.15 -0.24 1.22 -0.61 -1.33 0.00 0.00 177.39 176.58 1pw6 h GLN 57 N 0.00 0.69 0.00 3.23 5.75 -1.80 -0.95 115.11 122.03 1pw6 h GLN 57 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1pw6 h GLN 57 Cb 0.24 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1pw6 h GLN 57 CO 0.00 0.45 0.00 0.00 -2.65 0.00 0.00 178.83 176.63 1pw6 h LEU 59 N 0.00 0.05 -1.04 0.00 5.85 -1.36 -3.37 115.31 115.44 1pw6 h LEU 59 Ca 0.00 -0.90 0.17 0.00 0.84 0.00 0.00 57.88 57.99 1pw6 h LEU 59 Cb 0.49 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 1pw6 h LEU 59 CO 0.00 1.14 0.62 -0.08 -0.34 0.00 0.00 178.44 179.78 1pw6 h GLU 60 N -0.93 0.78 0.00 1.25 4.81 -0.91 -1.32 114.58 118.27 1pw6 h GLU 60 Ca -0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1pw6 h GLU 60 Cb 1.13 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1pw6 h GLU 60 CO -0.03 0.52 0.00 0.39 -0.73 0.00 0.00 179.01 179.16 1pw6 n GLU 61 N -4.71 0.76 -0.14 1.92 1.02 -0.49 -2.48 120.64 116.52 1pw6 n GLU 61 Ca 0.22 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.38 1pw6 n GLU 61 Cb 0.52 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1pw6 n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pw6 n GLU 62 N -0.99 1.06 0.06 3.49 -0.58 -0.52 -4.75 120.64 118.40 1pw6 n GLU 62 Ca 0.18 -1.37 -0.07 0.00 -0.42 0.00 0.00 57.16 55.47 1pw6 n GLU 62 Cb 0.08 -0.86 0.08 0.00 -0.57 0.00 0.00 31.44 30.17 1pw6 n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1pw6 h LEU 63 N 0.00 0.41 0.11 -4.62 3.38 -1.25 -2.74 115.31 110.61 1pw6 h LEU 63 Ca 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1pw6 h LEU 63 Cb 0.97 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1pw6 h LEU 63 CO 0.00 0.94 -0.05 0.50 0.09 0.00 0.00 178.44 179.91 1pw6 h LYS 64 N 0.27 -0.15 -0.32 1.13 3.11 -1.86 0.27 116.57 119.02 1pw6 h LYS 64 Ca -0.01 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1pw6 h LYS 64 Cb 1.16 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.41 1pw6 h LYS 64 CO 0.11 -0.09 0.01 -1.35 -2.81 0.00 0.00 179.45 175.32 1pw6 h PRO 65 N -0.17 0.48 0.06 1.90 0.11 -1.91 -0.11 132.00 132.37 1pw6 h PRO 65 Ca -0.02 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1pw6 h PRO 65 Cb 0.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1pw6 h PRO 65 CO 0.03 0.50 -0.03 1.25 -0.21 0.00 0.00 178.00 179.54 1pw6 h LEU 66 N 0.47 -0.07 -0.68 2.35 5.85 -1.13 -0.77 115.31 121.33 1pw6 h LEU 66 Ca 0.10 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1pw6 h LEU 66 Cb 0.29 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1pw6 h LEU 66 CO 0.01 0.06 0.40 -0.08 -0.34 0.00 0.00 178.44 178.49 1pw6 h GLU 67 N -0.19 0.92 -0.35 1.25 4.81 -0.35 -1.97 114.58 118.69 1pw6 h GLU 67 Ca -0.01 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1pw6 h GLU 67 Cb 0.17 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1pw6 h GLU 67 CO 0.01 0.67 -0.02 1.49 -0.73 0.00 0.00 179.01 180.43 1pw6 h GLU 68 N 0.92 0.07 -0.06 1.92 4.81 -0.87 -1.40 114.58 119.97 1pw6 h GLU 68 Ca 0.24 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 1pw6 h GLU 68 Cb -0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1pw6 h GLU 68 CO -0.04 0.05 -0.59 -0.24 -0.73 0.00 0.00 179.01 177.45 1pw6 h VAL 69 N 0.07 1.39 0.00 0.32 3.04 -0.95 -2.87 116.25 117.25 1pw6 h VAL 69 Ca 0.17 -1.96 -0.14 0.00 -1.01 0.00 0.00 66.70 63.76 1pw6 h VAL 69 Cb 0.24 1.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 1pw6 h VAL 69 CO -0.30 0.58 -0.69 -0.07 -1.01 0.00 0.00 177.57 176.08 1pw6 h LEU 70 N 0.16 0.00 -0.49 3.16 3.38 -1.09 -2.92 115.31 117.51 1pw6 h LEU 70 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1pw6 h LEU 70 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1pw6 h LEU 70 CO 0.09 0.69 -0.48 0.78 0.09 0.00 0.00 178.44 179.60 1pw6 h ASN 71 N 0.00 0.75 0.38 -0.43 -0.26 -1.14 -2.53 115.58 112.35 1pw6 h ASN 71 Ca -0.01 -0.37 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 1pw6 h ASN 71 Cb 1.25 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 1pw6 h ASN 71 CO 0.09 1.11 0.00 0.18 -1.06 0.00 0.00 177.43 177.75 1pw6 n LEU 72 N -4.00 0.00 -0.00 1.61 4.77 -1.10 -3.31 117.00 114.98 1pw6 n LEU 72 Ca -0.03 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1pw6 n LEU 72 Cb 0.58 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1pw6 n LEU 72 CO 0.47 -0.04 -0.24 0.00 -1.33 0.00 0.00 177.39 176.26 1pw6 n ALA 73 N -1.23 2.98 -1.23 -1.18 0.00 -1.10 -5.10 120.51 113.66 1pw6 n ALA 73 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1pw6 n ALA 73 Cb 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1pw6 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pw6 n GLN 74 N -1.46 3.00 -3.96 0.00 10.64 -0.97 -5.08 117.38 119.55 1pw6 n GLN 74 Ca 0.01 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.82 1pw6 n GLN 74 Cb 0.20 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.50 1pw6 n GLN 74 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1pw6 s ARG 81 N 0.88 3.64 0.33 2.61 3.52 -1.26 -5.14 118.95 123.53 1pw6 s ARG 81 Ca 0.00 -0.24 0.13 0.00 -0.13 0.00 0.00 55.73 55.49 1pw6 s ARG 81 Cb 0.00 -3.18 0.58 0.00 -1.56 0.00 0.00 34.95 30.79 1pw6 s ARG 81 CO 0.00 0.56 1.73 -1.35 -0.81 0.00 0.00 175.30 175.43 1pw6 h PRO 82 N 5.72 0.00 -0.75 5.12 0.11 -1.97 -3.16 132.00 137.07 1pw6 h PRO 82 Ca -0.48 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1pw6 h PRO 82 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1pw6 h PRO 82 CO 0.64 0.47 0.48 -0.09 -0.21 0.00 0.00 178.00 179.29 1pw6 h ARG 83 N 0.00 0.92 0.07 1.05 2.43 -1.99 -2.61 114.38 114.26 1pw6 h ARG 83 Ca -0.00 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 58.87 1pw6 h ARG 83 Cb 0.87 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1pw6 h ARG 83 CO 0.06 0.61 -1.10 -0.44 -1.51 0.00 0.00 179.97 177.60 1pw6 h ASP 84 N 0.95 0.36 -0.27 -3.80 3.32 -1.97 -1.21 116.42 113.80 1pw6 h ASP 84 Ca 0.30 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1pw6 h ASP 84 Cb -0.02 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1pw6 h ASP 84 CO -0.10 1.22 0.04 0.25 -1.72 0.00 0.00 179.24 178.93 1pw6 h LEU 85 N 0.10 0.43 -0.65 1.55 5.85 -1.53 -0.73 115.31 120.32 1pw6 h LEU 85 Ca -0.09 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.23 1pw6 h LEU 85 Cb 1.80 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 1pw6 h LEU 85 CO 0.18 0.59 -0.35 0.40 -0.34 0.00 0.00 178.44 178.92 1pw6 h ILE 86 N 0.26 1.29 -0.66 4.05 1.08 -1.53 -2.28 117.51 119.72 1pw6 h ILE 86 Ca 0.08 -1.50 0.03 0.00 -0.39 0.00 0.00 64.86 63.09 1pw6 h ILE 86 Cb 0.35 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 1pw6 h ILE 86 CO 0.01 0.48 0.40 -1.28 -0.69 0.00 0.00 178.15 177.07 1pw6 h SER 87 N 0.56 0.64 -0.56 1.72 0.87 -1.10 -1.18 113.55 114.49 1pw6 h SER 87 Ca 0.06 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1pw6 h SER 87 Cb 0.86 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1pw6 h SER 87 CO 0.07 0.44 0.02 -1.13 -0.53 0.00 0.00 176.83 175.70 1pw6 h ASN 88 N 0.78 0.96 -0.65 6.23 -1.24 -0.99 -2.23 115.58 118.44 1pw6 h ASN 88 Ca 0.27 -0.30 0.01 0.00 0.71 0.00 0.00 56.30 56.99 1pw6 h ASN 88 Cb 0.05 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 1pw6 h ASN 88 CO -0.12 1.02 0.43 0.40 -1.29 0.00 0.00 177.43 177.87 1pw6 h ILE 89 N 0.87 1.17 -0.07 2.57 2.04 -1.07 -1.78 117.51 121.23 1pw6 h ILE 89 Ca 0.16 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1pw6 h ILE 89 Cb 0.52 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1pw6 h ILE 89 CO 0.03 0.16 -0.17 -1.13 0.00 0.00 0.00 178.15 177.04 1pw6 h ASN 90 N 0.88 -0.51 -0.27 1.72 -0.00 -1.01 0.19 115.58 116.57 1pw6 h ASN 90 Ca 0.24 0.08 0.06 0.00 -0.00 0.00 0.00 56.30 56.68 1pw6 h ASN 90 Cb -0.10 0.23 -0.06 0.00 -0.00 0.00 0.00 38.32 38.39 1pw6 h ASN 90 CO -0.05 -0.23 -0.12 0.58 -0.00 0.00 0.00 177.43 177.61 1pw6 h VAL 91 N -0.25 0.61 -0.03 2.57 2.07 -1.06 0.22 116.25 120.38 1pw6 h VAL 91 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1pw6 h VAL 91 Cb 0.35 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1pw6 h VAL 91 CO -0.21 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 177.73 1pw6 h ILE 92 N -0.08 0.86 -0.63 4.57 1.08 -1.09 -2.22 117.51 120.00 1pw6 h ILE 92 Ca 0.14 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 1pw6 h ILE 92 Cb 0.29 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 1pw6 h ILE 92 CO -0.32 0.00 0.37 0.58 -0.69 0.00 0.00 178.15 178.09 1pw6 h VAL 93 N -0.07 1.02 -0.99 1.67 2.07 -0.02 -0.62 116.25 119.31 1pw6 h VAL 93 Ca 0.03 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1pw6 h VAL 93 Cb 0.11 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1pw6 h VAL 93 CO -0.07 0.13 0.65 -0.07 0.02 0.00 0.00 177.57 178.23 1pw6 h LEU 94 N 0.70 1.11 -0.37 2.57 3.38 -0.43 0.06 115.31 122.33 1pw6 h LEU 94 Ca 0.27 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1pw6 h LEU 94 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1pw6 h LEU 94 CO -0.14 0.78 -0.09 -0.33 0.09 0.00 0.00 178.44 178.75 1pw6 h GLU 95 N 1.30 0.71 0.09 1.13 5.08 -0.75 -3.34 114.58 118.80 1pw6 h GLU 95 Ca 0.38 -0.27 -0.25 0.00 -1.00 0.00 0.00 59.36 58.22 1pw6 h GLU 95 Cb -0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1pw6 h GLU 95 CO -0.11 0.86 -1.15 -0.07 -1.00 0.00 0.00 179.01 177.54 1pw6 h LEU 96 N 0.51 0.36 -1.84 1.33 3.38 -0.72 -3.32 115.31 115.01 1pw6 h LEU 96 Ca 0.09 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1pw6 h LEU 96 Cb 0.60 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pw6 h LEU 96 CO 0.04 1.26 -0.04 0.07 0.09 0.00 0.00 178.44 179.86 1pw6 h LYS 97 N 0.08 0.00 0.00 1.13 2.10 -1.11 -3.43 116.57 115.34 1pw6 h LYS 97 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1pw6 h LYS 97 Cb 1.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 1pw6 h LYS 97 CO 0.18 0.04 0.00 0.41 -2.00 0.00 0.00 179.45 178.09 1pw6 n GLY 98 N -0.32 -2.21 3.13 0.07 0.00 -1.25 -4.28 105.19 100.33 1pw6 n GLY 98 Ca -0.01 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1pw6 n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pw6 s SER 99 N -1.73 6.08 0.18 1.61 0.15 -1.26 -4.73 113.70 114.01 1pw6 s SER 99 Ca 0.00 -3.63 0.00 0.00 0.70 0.00 0.00 55.95 53.02 1pw6 s SER 99 Cb 0.00 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1pw6 s SER 99 CO 0.00 -0.21 0.00 -1.84 1.20 0.00 0.00 173.24 172.39 1pw6 n GLU 100 N 2.47 0.00 -4.10 5.44 -0.00 -1.26 -5.12 120.64 118.07 1pw6 n GLU 100 Ca 0.21 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.23 1pw6 n GLU 100 Cb 0.37 -0.16 -0.11 0.00 -0.00 0.00 0.00 31.44 31.54 1pw6 n GLU 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1pw6 s THR 101 N -1.83 0.70 -0.06 3.84 2.01 -1.26 -5.13 115.64 113.91 1pw6 s THR 101 Ca 0.00 -1.26 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 1pw6 s THR 101 Cb 0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1pw6 s THR 101 CO 0.00 -0.42 1.10 -0.89 -0.69 0.00 0.00 174.62 173.72 1pw6 s THR 102 N -1.68 4.51 0.08 -0.82 2.01 -1.26 -5.02 115.64 113.46 1pw6 s THR 102 Ca -0.05 1.80 -0.30 0.00 0.31 0.00 0.00 61.69 63.45 1pw6 s THR 102 Cb -0.08 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1pw6 s THR 102 CO 0.00 0.02 1.06 0.12 -0.69 0.00 0.00 174.62 175.14 1pw6 s PHE 103 N 1.96 3.62 -0.60 4.92 5.36 -1.26 -4.99 117.98 126.97 1pw6 s PHE 103 Ca 0.53 1.59 -0.24 0.00 -0.96 0.00 0.00 56.93 57.84 1pw6 s PHE 103 Cb -0.22 -3.22 0.05 0.00 -0.34 0.00 0.00 43.02 39.28 1pw6 s PHE 103 CO 0.21 -0.44 1.01 -1.64 -1.46 0.00 0.00 175.22 172.90 1pw6 s MET 104 N 0.52 3.27 0.08 10.12 -1.94 -1.26 -4.97 119.30 125.12 1pw6 s MET 104 Ca 0.52 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.83 1pw6 s MET 104 Cb -0.26 -4.11 -0.05 0.00 2.01 0.00 0.00 34.83 32.42 1pw6 s MET 104 CO 0.30 -1.67 1.10 0.00 -0.01 0.00 0.00 175.02 174.74 1pw6 s GLU 106 N 0.63 3.21 0.11 0.00 2.02 -1.26 -5.08 118.70 118.33 1pw6 s GLU 106 Ca 0.54 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.85 1pw6 s GLU 106 Cb -0.27 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1pw6 s GLU 106 CO 0.30 0.23 -0.13 0.71 0.02 0.00 0.00 175.26 176.39 1pw6 s TYR 107 N 0.28 2.65 0.69 1.61 2.02 -1.26 -0.00 117.35 123.34 1pw6 s TYR 107 Ca -0.12 -0.20 -0.14 0.00 -0.37 0.00 0.00 57.07 56.24 1pw6 s TYR 107 Cb -0.16 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1pw6 s TYR 107 CO 0.06 0.41 1.10 0.00 -1.57 0.00 0.00 175.55 175.55 1pw6 s ALA 108 N -1.18 2.44 0.28 3.71 0.00 0.36 -4.75 121.76 122.62 1pw6 s ALA 108 Ca 0.20 0.45 0.06 0.00 0.00 0.00 0.00 51.96 52.67 1pw6 s ALA 108 Cb -0.11 -3.30 0.40 0.00 0.00 0.00 0.00 23.12 20.12 1pw6 s ALA 108 CO 0.12 -1.38 1.66 -0.44 0.00 0.00 0.00 175.76 175.73 1pw6 h ASP 109 N -0.27 0.24 -3.35 0.00 3.32 -2.00 -3.42 116.42 110.94 1pw6 h ASP 109 Ca -0.46 -0.11 -0.59 0.00 0.02 0.00 0.00 57.03 55.89 1pw6 h ASP 109 Cb 1.24 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 1pw6 h ASP 109 CO 0.54 0.68 0.51 -1.61 -1.72 0.00 0.00 179.24 177.64 1pw6 s GLU 110 N -4.02 4.07 0.69 3.56 0.41 -1.26 -5.06 118.70 117.09 1pw6 s GLU 110 Ca -0.04 0.82 -0.07 0.00 -0.41 0.00 0.00 54.97 55.26 1pw6 s GLU 110 Cb 0.13 -3.70 0.05 0.00 -1.78 0.00 0.00 34.13 28.83 1pw6 s GLU 110 CO 0.78 -0.66 1.02 0.95 -0.49 0.00 0.00 175.26 176.86 1pw6 s THR 111 N 3.04 2.63 0.18 3.63 -4.23 -1.26 -4.59 115.64 115.04 1pw6 s THR 111 Ca 0.36 -0.12 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1pw6 s THR 111 Cb -0.14 -3.13 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 1pw6 s THR 111 CO 0.11 -0.15 -0.12 0.00 -0.54 0.00 0.00 174.62 173.92 1pw6 s ALA 112 N -3.24 1.77 0.99 3.99 0.00 -0.26 -4.87 121.76 120.14 1pw6 s ALA 112 Ca 0.59 -1.59 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1pw6 s ALA 112 Cb -0.11 -0.01 0.18 0.00 0.00 0.00 0.00 23.12 23.19 1pw6 s ALA 112 CO 0.46 -0.02 1.14 0.95 0.00 0.00 0.00 175.76 178.29 1pw6 s THR 113 N -3.14 1.93 0.40 0.00 -4.23 -1.26 0.25 115.64 109.59 1pw6 s THR 113 Ca 0.20 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.84 1pw6 s THR 113 Cb 0.01 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.33 1pw6 s THR 113 CO 0.04 0.00 1.91 -0.29 -0.54 0.00 0.00 174.62 175.74 1pw6 h ILE 114 N -1.81 1.20 0.03 2.99 2.10 -1.85 -1.01 117.51 119.16 1pw6 h ILE 114 Ca -0.50 -0.92 -0.00 0.00 1.08 0.00 0.00 64.86 64.51 1pw6 h ILE 114 Cb 1.32 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 1pw6 h ILE 114 CO 0.54 0.27 -0.01 0.58 -1.08 0.00 0.00 178.15 178.45 1pw6 h VAL 115 N 0.05 1.29 -0.95 2.19 2.07 -1.96 -1.82 116.25 117.12 1pw6 h VAL 115 Ca 0.01 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1pw6 h VAL 115 Cb 0.47 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 1pw6 h VAL 115 CO 0.03 0.26 0.57 -0.33 0.02 0.00 0.00 177.57 178.12 1pw6 h GLU 116 N -0.48 1.29 -0.24 1.57 5.08 -1.91 -0.64 114.58 119.25 1pw6 h GLU 116 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1pw6 h GLU 116 Cb 0.45 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1pw6 h GLU 116 CO 0.01 0.90 0.15 0.35 -1.00 0.00 0.00 179.01 179.42 1pw6 h PHE 117 N 1.31 0.30 -0.28 4.33 3.57 -1.18 -1.69 116.94 123.31 1pw6 h PHE 117 Ca 0.34 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1pw6 h PHE 117 Cb -0.05 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1pw6 h PHE 117 CO 0.01 0.21 0.01 -0.07 -2.23 0.00 0.00 178.31 176.24 1pw6 h LEU 118 N 0.31 0.47 -1.92 0.59 3.38 -1.10 -2.84 115.31 114.20 1pw6 h LEU 118 Ca 0.09 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1pw6 h LEU 118 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1pw6 h LEU 118 CO -0.02 0.65 0.13 0.78 0.09 0.00 0.00 178.44 180.07 1pw6 h ASN 119 N 0.27 0.09 -0.15 -0.43 -0.26 -1.03 0.14 115.58 114.22 1pw6 h ASN 119 Ca 0.08 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1pw6 h ASN 119 Cb 0.40 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1pw6 h ASN 119 CO 0.01 0.06 -0.09 -0.09 -1.06 0.00 0.00 177.43 176.27 1pw6 h ARG 120 N 0.11 0.33 0.00 0.81 9.65 -1.15 -2.07 114.38 122.06 1pw6 h ARG 120 Ca 0.08 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 1pw6 h ARG 120 Cb 0.20 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1pw6 h ARG 120 CO -0.01 0.66 -0.20 -1.49 2.80 0.00 0.00 179.97 181.73 1pw6 h TRP 121 N -0.01 0.00 -0.04 2.20 4.06 -1.19 -1.05 115.95 119.92 1pw6 h TRP 121 Ca 0.03 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 1pw6 h TRP 121 Cb 0.57 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1pw6 h TRP 121 CO 0.07 0.20 -0.04 0.82 -3.56 0.00 0.00 178.44 175.93 1pw6 h ILE 122 N 0.00 1.36 -0.63 1.49 2.04 -0.77 -2.32 117.51 118.69 1pw6 h ILE 122 Ca -0.00 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.77 1pw6 h ILE 122 Cb 1.07 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 1pw6 h ILE 122 CO 0.03 0.31 0.42 0.74 0.00 0.00 0.00 178.15 179.65 1pw6 h THR 123 N -0.33 1.02 0.79 -0.27 2.02 -1.28 -2.43 112.91 112.42 1pw6 h THR 123 Ca 0.01 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1pw6 h THR 123 Cb 0.52 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1pw6 h THR 123 CO 0.01 0.12 -0.38 0.15 0.37 0.00 0.00 175.52 175.79 1pw6 h PHE 124 N 0.65 -0.98 -0.63 3.16 3.57 -1.10 -2.29 116.94 119.32 1pw6 h PHE 124 Ca 0.27 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.83 1pw6 h PHE 124 Cb 0.24 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 1pw6 h PHE 124 CO -0.00 -0.60 0.28 0.00 -2.23 0.00 0.00 178.31 175.76 1pw6 h GLN 126 N 0.50 0.44 -0.28 0.00 4.20 -1.45 -1.04 115.11 117.49 1pw6 h GLN 126 Ca 0.31 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.76 1pw6 h GLN 126 Cb 0.33 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1pw6 h GLN 126 CO -0.26 0.41 -0.58 1.03 -0.67 0.00 0.00 178.83 178.76 1pw6 h SER 127 N 0.43 0.98 -0.23 1.46 0.87 -0.67 -2.69 113.55 113.70 1pw6 h SER 127 Ca 0.10 -0.54 -0.10 0.00 -1.23 0.00 0.00 61.79 60.02 1pw6 h SER 127 Cb 0.18 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1pw6 h SER 127 CO -0.00 1.35 -0.26 0.40 -0.53 0.00 0.00 176.83 177.79 1pw6 h ILE 128 N 0.66 1.32 -0.87 2.23 1.08 -1.07 -3.14 117.51 117.72 1pw6 h ILE 128 Ca 0.01 -1.43 0.08 0.00 -0.39 0.00 0.00 64.86 63.12 1pw6 h ILE 128 Cb 1.19 1.72 -0.06 0.00 -3.07 0.00 0.00 36.82 36.60 1pw6 h ILE 128 CO 0.13 0.45 0.57 0.40 -0.69 0.00 0.00 178.15 179.00 1pw6 h ILE 129 N 0.28 1.03 0.00 -0.67 2.04 -1.24 -2.02 117.51 116.92 1pw6 h ILE 129 Ca 0.03 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1pw6 h ILE 129 Cb 0.82 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1pw6 h ILE 129 CO 0.06 0.17 -0.24 0.28 0.00 0.00 0.00 178.15 178.42 1pw6 h SER 130 N 0.94 0.00 -0.07 1.72 0.02 -1.43 -3.08 113.55 111.65 1pw6 h SER 130 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1pw6 h SER 130 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1pw6 h SER 130 CO -0.15 0.24 0.00 0.35 -1.14 0.00 0.00 176.83 176.13 1pw6 n THR 131 N -4.21 0.07 -1.71 -2.27 -2.24 -0.77 -5.12 114.28 98.04 1pw6 n THR 131 Ca -0.02 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1pw6 n THR 131 Cb 0.30 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1pw6 n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50