#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py2 h THR 7 N 0.00 1.36 -0.06 2.46 2.02 -2.06 -2.89 112.91 113.73 1py2 h THR 7 Ca 0.00 -1.91 -0.15 0.00 0.77 0.00 0.00 66.41 65.12 1py2 h THR 7 Cb 0.00 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1py2 h THR 7 CO 0.00 0.58 -0.63 0.11 0.37 0.00 0.00 175.52 175.95 1py2 h LYS 8 N 0.29 0.23 -0.09 6.66 1.57 -2.05 -2.38 116.57 120.80 1py2 h LYS 8 Ca -0.00 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1py2 h LYS 8 Cb 1.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1py2 h LYS 8 CO 0.10 0.78 -0.54 -0.22 -0.57 0.00 0.00 179.45 179.00 1py2 h LYS 9 N 0.17 0.27 -0.29 3.15 3.64 -1.98 -1.98 116.57 119.55 1py2 h LYS 9 Ca -0.01 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1py2 h LYS 9 Cb 1.14 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1py2 h LYS 9 CO 0.10 0.74 -0.30 1.15 -2.27 0.00 0.00 179.45 178.87 1py2 h THR 10 N 0.21 1.30 -0.60 1.00 2.02 -1.44 -1.72 112.91 113.68 1py2 h THR 10 Ca 0.00 -1.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.65 1py2 h THR 10 Cb 1.02 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1py2 h THR 10 CO 0.09 0.47 0.15 -0.61 0.37 0.00 0.00 175.52 175.99 1py2 h GLN 11 N 0.45 0.93 0.00 6.66 4.15 -1.35 -1.69 115.11 124.26 1py2 h GLN 11 Ca 0.04 -0.20 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 1py2 h GLN 11 Cb 0.88 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1py2 h GLN 11 CO 0.07 0.83 -0.69 -0.07 -1.93 0.00 0.00 178.83 177.04 1py2 h LEU 12 N 0.90 0.00 -0.18 -2.39 3.38 -1.37 -2.17 115.31 113.48 1py2 h LEU 12 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1py2 h LEU 12 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1py2 h LEU 12 CO -0.00 0.69 -0.12 1.56 0.09 0.00 0.00 178.44 180.66 1py2 h GLN 13 N 0.00 0.39 -0.49 1.13 4.20 -1.12 -1.89 115.11 117.33 1py2 h GLN 13 Ca -0.01 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1py2 h GLN 13 Cb 1.49 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 1py2 h GLN 13 CO 0.09 0.72 0.05 -0.07 -0.67 0.00 0.00 178.83 178.95 1py2 h LEU 14 N 0.06 0.73 -0.82 1.46 3.38 -1.35 -1.09 115.31 117.68 1py2 h LEU 14 Ca 0.03 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1py2 h LEU 14 Cb 0.62 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1py2 h LEU 14 CO 0.03 0.77 -0.27 -0.33 0.09 0.00 0.00 178.44 178.73 1py2 h GLU 15 N 0.73 0.58 -0.24 1.13 5.08 -1.39 0.04 114.58 120.51 1py2 h GLU 15 Ca 0.15 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1py2 h GLU 15 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1py2 h GLU 15 CO 0.01 0.79 -0.43 1.25 -1.00 0.00 0.00 179.01 179.63 1py2 h HIS 16 N 0.50 0.71 -0.48 4.33 2.76 -1.01 -2.02 115.15 119.94 1py2 h HIS 16 Ca 0.07 -0.21 -0.14 0.00 -2.20 0.00 0.00 60.37 57.89 1py2 h HIS 16 Cb 0.73 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1py2 h HIS 16 CO 0.03 0.92 -0.23 1.25 -1.30 0.00 0.00 177.93 178.60 1py2 h LEU 17 N 0.48 1.03 -0.65 0.26 5.85 -0.99 -2.60 115.31 118.69 1py2 h LEU 17 Ca 0.04 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1py2 h LEU 17 Cb 0.94 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1py2 h LEU 17 CO 0.08 1.20 0.39 0.25 -0.34 0.00 0.00 178.44 180.03 1py2 h LEU 18 N 0.86 0.78 -0.49 2.25 5.85 -0.88 -2.45 115.31 121.24 1py2 h LEU 18 Ca 0.11 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1py2 h LEU 18 Cb 0.81 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1py2 h LEU 18 CO 0.07 0.62 0.13 0.25 -0.34 0.00 0.00 178.44 179.16 1py2 h LEU 19 N 0.88 0.73 -0.48 2.25 6.46 -1.32 -1.21 115.31 122.62 1py2 h LEU 19 Ca 0.23 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1py2 h LEU 19 Cb -0.02 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 1py2 h LEU 19 CO -0.04 0.77 0.17 0.44 -0.62 0.00 0.00 178.44 179.16 1py2 h ASP 20 N 0.67 0.69 -0.30 1.25 5.19 -1.34 0.33 116.42 122.90 1py2 h ASP 20 Ca 0.15 -0.19 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 1py2 h ASP 20 Cb 0.31 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1py2 h ASP 20 CO -0.00 0.69 -0.17 -0.07 -3.12 0.00 0.00 179.24 176.57 1py2 h LEU 21 N 0.64 0.75 -0.95 1.55 3.38 -1.43 -2.37 115.31 116.89 1py2 h LEU 21 Ca 0.16 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1py2 h LEU 21 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1py2 h LEU 21 CO -0.01 0.93 -0.29 -0.61 0.09 0.00 0.00 178.44 178.55 1py2 h GLN 22 N 0.67 0.42 -0.25 1.13 4.15 -0.84 -2.29 115.11 118.09 1py2 h GLN 22 Ca 0.10 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 1py2 h GLN 22 Cb 0.66 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1py2 h GLN 22 CO 0.05 0.67 -0.33 0.52 -1.93 0.00 0.00 178.83 177.80 1py2 h MET 23 N 0.37 0.54 -0.09 1.69 2.86 -0.08 -2.21 114.93 118.01 1py2 h MET 23 Ca 0.05 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1py2 h MET 23 Cb 0.69 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1py2 h MET 23 CO 0.05 0.80 -0.16 0.82 1.06 0.00 0.00 176.91 179.49 1py2 h ILE 24 N 0.46 1.40 -0.57 -1.22 2.04 -1.31 -3.17 117.51 115.14 1py2 h ILE 24 Ca 0.05 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1py2 h ILE 24 Cb 0.80 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 1py2 h ILE 24 CO 0.07 0.41 0.21 0.25 0.00 0.00 0.00 178.15 179.08 1py2 h LEU 25 N -0.19 0.76 -0.68 1.44 5.85 -1.39 -2.02 115.31 119.08 1py2 h LEU 25 Ca 0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1py2 h LEU 25 Cb 0.74 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1py2 h LEU 25 CO 0.04 0.70 0.19 -1.13 -0.34 0.00 0.00 178.44 177.89 1py2 h ASN 26 N 0.82 1.00 0.70 1.25 -1.24 -1.48 -2.69 115.58 113.94 1py2 h ASN 26 Ca 0.19 -0.22 -0.11 0.00 0.71 0.00 0.00 56.30 56.87 1py2 h ASN 26 Cb 0.19 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1py2 h ASN 26 CO -0.01 0.96 -0.54 1.23 -1.29 0.00 0.00 177.43 177.78 1py2 h GLY 27 N 1.00 0.00 1.31 1.57 0.00 -1.46 -3.14 103.07 102.34 1py2 h GLY 27 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.42 1py2 h GLY 27 CO -0.00 0.00 -0.26 -2.22 0.00 0.00 0.00 176.54 174.05 1py2 h ILE 28 N 0.00 1.27 0.00 2.60 2.04 -1.19 -2.99 117.51 119.25 1py2 h ILE 28 Ca -0.01 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1py2 h ILE 28 Cb 1.04 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1py2 h ILE 28 CO 0.07 0.46 0.00 0.78 0.00 0.00 0.00 178.15 179.46 1py2 h ASN 29 N 0.67 0.00 0.50 1.72 2.35 -1.44 -3.15 115.58 116.22 1py2 h ASN 29 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1py2 h ASN 29 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1py2 h ASN 29 CO 0.07 0.00 -0.07 -3.20 -1.65 0.00 0.00 177.43 172.58 1py2 n ASN 30 N -2.66 0.22 0.00 5.81 4.05 -1.13 -5.13 115.26 116.43 1py2 n ASN 30 Ca 0.03 -0.30 0.00 0.00 0.45 0.00 0.00 54.58 54.76 1py2 n ASN 30 Cb 0.35 -0.18 0.00 0.00 1.23 0.00 0.00 39.78 41.17 1py2 n ASN 30 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1py2 n TYR 31 N -1.16 0.00 0.00 1.20 4.01 -1.19 -5.12 117.16 114.89 1py2 n TYR 31 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1py2 n TYR 31 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1py2 n TYR 31 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1py2 n PRO 34 N 0.00 0.00 0.00 -0.72 -0.02 -1.26 -4.69 135.00 128.31 1py2 n PRO 34 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1py2 n PRO 34 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1py2 n PRO 34 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1py2 h LYS 35 N 0.00 0.63 -0.32 -0.52 3.64 -2.01 -3.07 116.57 114.92 1py2 h LYS 35 Ca 0.00 -0.49 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 1py2 h LYS 35 Cb 0.00 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1py2 h LYS 35 CO 0.00 1.11 -0.08 1.25 -2.27 0.00 0.00 179.45 179.47 1py2 h LEU 36 N 0.44 0.49 -0.87 5.20 5.85 -1.89 -2.30 115.31 122.23 1py2 h LEU 36 Ca -0.03 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 1py2 h LEU 36 Cb 1.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1py2 h LEU 36 CO 0.14 0.62 -0.25 0.74 -0.34 0.00 0.00 178.44 179.34 1py2 h THR 37 N 0.48 1.27 -0.00 1.05 2.02 -1.97 -3.01 112.91 112.76 1py2 h THR 37 Ca 0.10 -1.30 -0.14 0.00 0.77 0.00 0.00 66.41 65.84 1py2 h THR 37 Cb 0.43 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1py2 h THR 37 CO 0.02 0.42 -0.65 0.03 0.37 0.00 0.00 175.52 175.71 1py2 h ARG 38 N 0.48 0.02 0.00 6.66 3.08 -1.38 -3.12 114.38 120.13 1py2 h ARG 38 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1py2 h ARG 38 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1py2 h ARG 38 CO 0.05 0.66 0.00 1.98 -1.07 0.00 0.00 179.97 181.59 1py2 h MET 39 N 0.01 0.00 0.00 0.04 4.05 -1.29 -3.10 114.93 114.65 1py2 h MET 39 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1py2 h MET 39 Cb 1.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 1py2 h MET 39 CO 0.09 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.51 1py2 n LEU 40 N -2.96 0.47 0.19 3.39 4.77 -1.18 -3.27 117.00 118.41 1py2 n LEU 40 Ca 0.02 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.60 1py2 n LEU 40 Cb 0.36 -0.40 0.34 0.00 -2.33 0.00 0.00 43.42 41.39 1py2 n LEU 40 CO 0.28 -0.12 0.68 0.71 -1.33 0.00 0.00 177.39 177.61 1py2 h THR 41 N 0.00 0.95 -2.81 -5.08 1.35 -1.68 -3.43 112.91 102.21 1py2 h THR 41 Ca 0.00 -1.53 -0.54 0.00 -0.55 0.00 0.00 66.41 63.79 1py2 h THR 41 Cb 0.62 1.91 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 1py2 h THR 41 CO 0.00 0.38 0.91 0.12 -0.25 0.00 0.00 175.52 176.68 1py2 s PHE 42 N -3.67 2.64 -0.03 4.73 2.19 -1.20 -5.01 117.98 117.62 1py2 s PHE 42 Ca -0.00 0.60 0.02 0.00 0.33 0.00 0.00 56.93 57.87 1py2 s PHE 42 Cb 0.11 -3.79 -0.03 0.00 -1.31 0.00 0.00 43.02 38.00 1py2 s PHE 42 CO 0.69 -3.05 -0.05 0.15 1.83 0.00 0.00 175.22 174.80 1py2 s LYS 43 N 2.61 2.71 0.09 10.12 -0.14 -1.26 -4.12 119.74 129.73 1py2 s LYS 43 Ca 0.68 -0.61 0.09 0.00 -1.36 0.00 0.00 55.97 54.77 1py2 s LYS 43 Cb -0.34 -2.59 -0.03 0.00 -1.68 0.00 0.00 37.83 33.18 1py2 s LYS 43 CO 0.29 0.64 -0.24 -0.06 -0.76 0.00 0.00 175.35 175.21 1py2 s PHE 44 N -0.94 2.11 0.15 3.18 0.08 0.42 -4.93 117.98 118.04 1py2 s PHE 44 Ca 0.16 -0.40 -0.27 0.00 0.12 0.00 0.00 56.93 56.54 1py2 s PHE 44 Cb -0.11 -1.19 -0.07 0.00 -0.57 0.00 0.00 43.02 41.07 1py2 s PHE 44 CO 0.06 0.21 0.83 0.71 -0.10 0.00 0.00 175.22 176.93 1py2 s TYR 45 N -0.97 3.88 0.15 0.36 2.02 -1.26 -1.50 117.35 120.03 1py2 s TYR 45 Ca 0.11 1.69 0.11 0.00 -0.37 0.00 0.00 57.07 58.60 1py2 s TYR 45 Cb -0.10 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1py2 s TYR 45 CO 0.04 0.42 -0.23 -1.64 -1.57 0.00 0.00 175.55 172.57 1py2 s MET 46 N -0.81 1.56 0.56 -0.62 -1.94 -1.26 -4.97 119.30 111.82 1py2 s MET 46 Ca 0.39 -1.36 -0.17 0.00 -1.71 0.00 0.00 55.69 52.83 1py2 s MET 46 Cb -0.23 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.61 1py2 s MET 46 CO 0.27 0.44 1.06 -2.14 -0.01 0.00 0.00 175.02 174.64 1py2 s PRO 47 N -2.32 3.42 0.04 2.03 0.02 -1.26 -0.07 135.00 136.86 1py2 s PRO 47 Ca 0.18 1.30 -0.22 0.00 0.02 0.00 0.00 61.00 62.27 1py2 s PRO 47 Cb -0.09 -2.04 -0.14 0.00 0.02 0.00 0.00 34.50 32.24 1py2 s PRO 47 CO 0.09 -0.74 1.43 0.87 -0.33 0.00 0.00 177.00 178.32 1py2 h LYS 48 N 0.79 0.21 -2.27 5.54 1.57 -1.66 -3.38 116.57 117.36 1py2 h LYS 48 Ca -0.48 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1py2 h LYS 48 Cb 1.23 -0.01 -0.24 0.00 0.08 0.00 0.00 32.23 33.28 1py2 h LYS 48 CO 0.58 0.50 -0.25 -1.59 -0.57 0.00 0.00 179.45 178.11 1py2 s LYS 49 N -4.79 0.45 -0.40 3.15 -2.85 -1.26 -4.95 119.74 109.08 1py2 s LYS 49 Ca -0.14 1.24 -0.11 0.00 -1.00 0.00 0.00 55.97 55.95 1py2 s LYS 49 Cb 0.05 0.59 0.05 0.00 -2.06 0.00 0.00 37.83 36.46 1py2 s LYS 49 CO 0.71 -0.23 0.26 0.00 0.10 0.00 0.00 175.35 176.19 1py2 s ALA 50 N 2.74 3.34 0.00 0.59 0.00 -1.26 -4.87 121.76 122.30 1py2 s ALA 50 Ca -0.04 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1py2 s ALA 50 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1py2 s ALA 50 CO -0.16 -1.52 0.00 0.25 0.00 0.00 0.00 175.76 174.33 1py2 n THR 51 N 5.02 0.00 -3.58 0.00 -2.24 -1.26 -4.93 114.28 107.29 1py2 n THR 51 Ca -0.11 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1py2 n THR 51 Cb 0.45 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1py2 n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1py2 s GLU 52 N -1.77 2.93 0.56 -0.78 2.02 -1.26 -4.91 118.70 115.49 1py2 s GLU 52 Ca 0.00 -1.15 0.33 0.00 0.02 0.00 0.00 54.97 54.17 1py2 s GLU 52 Cb 0.00 -2.67 1.61 0.00 0.10 0.00 0.00 34.13 33.17 1py2 s GLU 52 CO 0.00 0.05 2.09 -0.07 0.02 0.00 0.00 175.26 177.35 1py2 h LEU 53 N 1.02 0.00 -1.80 1.80 3.38 -1.98 -2.78 115.31 114.94 1py2 h LEU 53 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1py2 h LEU 53 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1py2 h LEU 53 CO 0.55 0.06 -0.11 0.11 0.09 0.00 0.00 178.44 179.13 1py2 h LYS 54 N 0.00 0.00 0.00 1.13 1.57 -1.95 -2.84 116.57 114.48 1py2 h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1py2 h LYS 54 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1py2 h LYS 54 CO 0.01 0.11 0.00 0.72 -0.57 0.00 0.00 179.45 179.72 1py2 n HIS 55 N -3.46 0.00 0.53 -1.35 8.25 -1.05 -3.32 115.22 114.82 1py2 n HIS 55 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1py2 n HIS 55 Cb 0.27 -0.03 0.31 0.00 1.12 0.00 0.00 29.99 31.65 1py2 n HIS 55 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1py2 n LEU 56 N -1.03 0.00 0.24 2.41 4.77 -1.07 -2.14 117.00 120.17 1py2 n LEU 56 Ca 0.18 0.41 0.10 0.00 -0.03 0.00 0.00 56.01 56.67 1py2 n LEU 56 Cb 0.10 -0.41 0.59 0.00 -2.33 0.00 0.00 43.42 41.37 1py2 n LEU 56 CO 0.15 -0.22 0.88 1.56 -1.33 0.00 0.00 177.39 178.42 1py2 h GLN 57 N 0.00 0.00 -0.13 3.23 1.08 -1.83 -1.34 115.11 116.11 1py2 h GLN 57 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1py2 h GLN 57 Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1py2 h GLN 57 CO 0.00 0.19 -0.56 0.00 -0.95 0.00 0.00 178.83 177.51 1py2 h LEU 59 N 0.31 0.64 -0.90 0.00 5.85 -1.63 -3.23 115.31 116.35 1py2 h LEU 59 Ca 0.00 -0.69 0.05 0.00 0.84 0.00 0.00 57.88 58.08 1py2 h LEU 59 Cb 1.08 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1py2 h LEU 59 CO 0.10 1.24 0.58 -0.08 -0.34 0.00 0.00 178.44 179.94 1py2 h GLU 60 N 0.10 1.06 0.00 1.25 4.81 -1.26 -1.52 114.58 119.02 1py2 h GLU 60 Ca -0.06 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1py2 h GLU 60 Cb 1.29 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1py2 h GLU 60 CO 0.12 0.70 -0.18 0.93 -0.73 0.00 0.00 179.01 179.85 1py2 h GLU 61 N 1.09 0.00 -0.66 1.92 5.08 -1.54 -3.02 114.58 117.45 1py2 h GLU 61 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1py2 h GLU 61 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1py2 h GLU 61 CO -0.15 0.18 0.00 0.39 -1.00 0.00 0.00 179.01 178.43 1py2 n GLU 62 N -3.56 3.32 0.08 2.33 -0.58 -0.60 -4.46 120.64 117.17 1py2 n GLU 62 Ca -0.01 -2.77 -0.12 0.00 -0.42 0.00 0.00 57.16 53.83 1py2 n GLU 62 Cb 0.33 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 29.38 1py2 n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1py2 h LEU 63 N 4.04 0.38 -0.26 -4.62 3.38 -1.35 -1.71 115.31 115.17 1py2 h LEU 63 Ca 0.00 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1py2 h LEU 63 Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1py2 h LEU 63 CO 0.13 1.19 -0.05 0.11 0.09 0.00 0.00 178.44 179.91 1py2 h LYS 64 N 0.13 0.49 -0.24 1.13 1.79 -1.81 -0.46 116.57 117.60 1py2 h LYS 64 Ca -0.08 -0.18 0.01 0.00 -2.18 0.00 0.00 60.65 58.21 1py2 h LYS 64 Cb 1.69 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.30 1py2 h LYS 64 CO 0.17 0.70 0.16 -1.35 -1.08 0.00 0.00 179.45 178.05 1py2 h PRO 65 N 0.24 0.29 -0.42 3.15 0.11 -1.84 -1.38 132.00 132.15 1py2 h PRO 65 Ca 0.07 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.02 1py2 h PRO 65 Cb 0.52 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1py2 h PRO 65 CO 0.02 0.19 -0.28 1.25 -0.21 0.00 0.00 178.00 178.97 1py2 h LEU 66 N 0.30 0.94 -0.95 2.35 5.85 -1.06 -2.78 115.31 119.95 1py2 h LEU 66 Ca 0.09 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1py2 h LEU 66 Cb -0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1py2 h LEU 66 CO -0.02 1.15 0.05 -0.08 -0.34 0.00 0.00 178.44 179.20 1py2 h GLU 67 N 0.76 0.82 0.14 1.25 4.81 -0.72 -2.93 114.58 118.70 1py2 h GLU 67 Ca 0.09 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1py2 h GLU 67 Cb 0.85 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1py2 h GLU 67 CO 0.07 0.79 -0.06 0.93 -0.73 0.00 0.00 179.01 180.01 1py2 h GLU 68 N 0.77 -0.17 -0.12 1.92 5.08 -1.13 -2.00 114.58 118.93 1py2 h GLU 68 Ca 0.16 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1py2 h GLU 68 Cb 0.39 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1py2 h GLU 68 CO 0.01 0.01 -0.15 -0.24 -1.00 0.00 0.00 179.01 177.65 1py2 h VAL 69 N -0.34 1.17 -0.01 3.13 3.04 -1.52 -1.70 116.25 120.02 1py2 h VAL 69 Ca -0.02 -0.77 -0.14 0.00 -1.01 0.00 0.00 66.70 64.76 1py2 h VAL 69 Cb 0.27 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1py2 h VAL 69 CO 0.03 0.23 -0.66 -0.07 -1.01 0.00 0.00 177.57 176.09 1py2 h LEU 70 N 0.18 0.08 -0.50 3.16 3.38 -1.43 -2.78 115.31 117.38 1py2 h LEU 70 Ca 0.04 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1py2 h LEU 70 Cb 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1py2 h LEU 70 CO 0.02 0.71 -0.63 0.78 0.09 0.00 0.00 178.44 179.41 1py2 h ASN 71 N 0.05 0.49 1.28 -0.43 4.21 -0.81 -3.21 115.58 117.15 1py2 h ASN 71 Ca -0.01 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.21 1py2 h ASN 71 Cb 1.17 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 1py2 h ASN 71 CO 0.09 1.00 0.00 -0.07 -1.29 0.00 0.00 177.43 177.16 1py2 h LEU 72 N 0.31 0.00 0.00 1.61 3.38 -1.21 -3.52 115.31 115.89 1py2 h LEU 72 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1py2 h LEU 72 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1py2 h LEU 72 CO 0.11 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1py2 n ALA 73 N -1.89 0.00 -1.84 1.53 0.00 -1.06 -5.10 120.51 112.16 1py2 n ALA 73 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1py2 n ALA 73 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1py2 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1py2 n PHE 78 N 0.00 -0.08 -2.89 0.00 3.01 -1.26 -4.95 117.46 111.29 1py2 n PHE 78 Ca 0.00 0.05 -0.41 0.00 1.01 0.00 0.00 57.45 58.10 1py2 n PHE 78 Cb 0.00 -0.88 -0.04 0.00 -0.01 0.00 0.00 39.48 38.55 1py2 n PHE 78 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1py2 s ARG 81 N -0.01 4.52 0.25 -1.08 3.00 -1.26 -4.81 118.95 119.57 1py2 s ARG 81 Ca 0.00 1.16 -0.02 0.00 -1.00 0.00 0.00 55.73 55.88 1py2 s ARG 81 Cb 0.00 -3.42 0.31 0.00 0.00 0.00 0.00 34.95 31.84 1py2 s ARG 81 CO 0.00 0.09 1.72 -1.35 0.00 0.00 0.00 175.30 175.77 1py2 h PRO 82 N 6.39 0.73 -0.37 5.12 0.11 -1.95 -2.88 132.00 139.14 1py2 h PRO 82 Ca -0.42 -0.23 -0.06 0.00 0.11 0.00 0.00 66.00 65.40 1py2 h PRO 82 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1py2 h PRO 82 CO 0.74 0.81 -0.04 -0.09 -0.21 0.00 0.00 178.00 179.21 1py2 h ARG 83 N 0.67 0.61 -0.14 1.05 1.12 -1.99 -2.62 114.38 113.08 1py2 h ARG 83 Ca 0.12 -0.15 -0.18 0.00 -1.11 0.00 0.00 59.98 58.65 1py2 h ARG 83 Cb 0.55 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1py2 h ARG 83 CO 0.03 0.66 -0.66 -0.44 -3.11 0.00 0.00 179.97 176.45 1py2 h ASP 84 N 0.57 0.65 -0.19 -3.80 3.32 -1.98 -3.00 116.42 111.99 1py2 h ASP 84 Ca 0.11 -0.39 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 1py2 h ASP 84 Cb 0.42 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1py2 h ASP 84 CO 0.02 1.14 -0.15 0.25 -1.72 0.00 0.00 179.24 178.78 1py2 h LEU 85 N 0.41 0.46 -1.01 1.55 5.85 -1.32 -2.98 115.31 118.26 1py2 h LEU 85 Ca -0.02 -0.45 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 1py2 h LEU 85 Cb 1.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1py2 h LEU 85 CO 0.12 0.81 -0.37 0.40 -0.34 0.00 0.00 178.44 179.07 1py2 h ILE 86 N 0.11 1.29 -0.68 4.05 1.08 -1.58 -2.50 117.51 119.28 1py2 h ILE 86 Ca 0.04 -1.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.08 1py2 h ILE 86 Cb 0.67 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.99 1py2 h ILE 86 CO 0.04 0.42 0.34 -1.28 -0.69 0.00 0.00 178.15 176.98 1py2 h SER 87 N 0.21 0.85 -0.21 1.72 0.87 -1.51 0.13 113.55 115.61 1py2 h SER 87 Ca 0.02 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1py2 h SER 87 Cb 0.75 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1py2 h SER 87 CO 0.06 0.71 -0.52 0.78 -0.53 0.00 0.00 176.83 177.33 1py2 h ASN 88 N 0.95 0.88 -0.49 6.23 2.35 -1.33 -3.02 115.58 121.15 1py2 h ASN 88 Ca 0.24 -0.46 -0.12 0.00 -0.55 0.00 0.00 56.30 55.41 1py2 h ASN 88 Cb 0.07 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1py2 h ASN 88 CO -0.03 1.23 -0.17 0.40 -1.65 0.00 0.00 177.43 177.21 1py2 h ILE 89 N 0.62 1.27 -0.79 2.81 2.04 -1.13 -2.96 117.51 119.37 1py2 h ILE 89 Ca 0.02 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.61 1py2 h ILE 89 Cb 1.11 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 1py2 h ILE 89 CO 0.11 0.46 0.49 -1.13 0.00 0.00 0.00 178.15 178.08 1py2 h ASN 90 N 0.83 0.77 0.37 1.72 -0.73 -0.74 -1.11 115.58 116.68 1py2 h ASN 90 Ca 0.12 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 1py2 h ASN 90 Cb 0.74 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1py2 h ASN 90 CO 0.06 0.50 -0.18 0.58 -0.37 0.00 0.00 177.43 178.02 1py2 h VAL 91 N 0.90 0.63 -0.48 2.57 2.07 -1.52 -2.44 116.25 117.98 1py2 h VAL 91 Ca 0.34 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1py2 h VAL 91 Cb 0.13 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1py2 h VAL 91 CO -0.16 0.07 0.09 0.40 0.02 0.00 0.00 177.57 178.00 1py2 h ILE 92 N -0.73 0.73 -0.13 4.57 1.08 -1.34 0.15 117.51 121.84 1py2 h ILE 92 Ca -0.05 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1py2 h ILE 92 Cb 0.50 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1py2 h ILE 92 CO 0.08 0.04 0.08 0.58 -0.69 0.00 0.00 178.15 178.25 1py2 h VAL 93 N 0.23 1.02 -0.22 1.67 2.07 -1.26 -0.36 116.25 119.40 1py2 h VAL 93 Ca 0.24 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 1py2 h VAL 93 Cb 0.32 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1py2 h VAL 93 CO -0.32 0.03 -0.18 -0.07 0.02 0.00 0.00 177.57 177.05 1py2 h LEU 94 N 0.17 0.36 -0.53 2.57 3.38 -0.90 -1.98 115.31 118.38 1py2 h LEU 94 Ca 0.05 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1py2 h LEU 94 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1py2 h LEU 94 CO -0.02 0.57 -0.70 -0.33 0.09 0.00 0.00 178.44 178.05 1py2 h GLU 95 N 0.34 0.21 -0.19 1.13 5.08 -0.52 -3.25 114.58 117.38 1py2 h GLU 95 Ca 0.06 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1py2 h GLU 95 Cb 0.52 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1py2 h GLU 95 CO 0.03 0.82 -0.55 -0.07 -1.00 0.00 0.00 179.01 178.25 1py2 h LEU 96 N 0.14 0.64 0.00 1.33 3.38 -0.61 -3.51 115.31 116.68 1py2 h LEU 96 Ca -0.02 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1py2 h LEU 96 Cb 1.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1py2 h LEU 96 CO 0.11 1.06 0.00 2.29 0.09 0.00 0.00 178.44 181.98 1py2 n LYS 97 N -3.96 3.60 0.00 1.13 2.85 -0.79 -4.96 118.16 116.03 1py2 n LYS 97 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1py2 n LYS 97 Cb 0.61 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 1py2 n LYS 97 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1py2 n GLU 100 N 0.00 0.00 -4.47 -1.58 1.02 -1.26 -5.02 120.64 109.33 1py2 n GLU 100 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1py2 n GLU 100 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1py2 n GLU 100 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1py2 s THR 101 N -0.50 1.17 -0.49 2.62 2.01 -1.26 -5.11 115.64 114.09 1py2 s THR 101 Ca 0.00 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 1py2 s THR 101 Cb 0.00 -1.09 0.05 0.00 0.01 0.00 0.00 72.50 71.48 1py2 s THR 101 CO 0.00 0.37 0.56 -0.89 -0.69 0.00 0.00 174.62 173.97 1py2 s THR 102 N 0.87 4.97 -0.18 -0.82 2.01 -1.26 -5.04 115.64 116.18 1py2 s THR 102 Ca -0.11 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1py2 s THR 102 Cb -0.15 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.15 1py2 s THR 102 CO 0.01 -0.70 -0.18 0.12 -0.69 0.00 0.00 174.62 173.18 1py2 s PHE 103 N 2.39 2.72 -0.20 4.92 5.36 -1.26 -5.09 117.98 126.81 1py2 s PHE 103 Ca 0.13 -1.64 -0.29 0.00 -0.96 0.00 0.00 56.93 54.17 1py2 s PHE 103 Cb -0.20 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1py2 s PHE 103 CO 0.11 -0.79 1.32 1.41 -1.46 0.00 0.00 175.22 175.81 1py2 s MET 104 N 1.31 4.10 0.37 10.12 1.75 -1.26 -4.96 119.30 130.73 1py2 s MET 104 Ca 0.04 1.56 -0.24 0.00 -1.25 0.00 0.00 55.69 55.80 1py2 s MET 104 Cb -0.14 -3.83 -0.10 0.00 2.84 0.00 0.00 34.83 33.60 1py2 s MET 104 CO -0.12 -0.89 0.97 0.00 -0.65 0.00 0.00 175.02 174.34 1py2 s GLU 106 N -2.49 3.54 -0.02 0.00 2.02 -1.26 -5.08 118.70 115.41 1py2 s GLU 106 Ca 0.56 -0.55 -0.06 0.00 0.02 0.00 0.00 54.97 54.93 1py2 s GLU 106 Cb -0.17 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 1py2 s GLU 106 CO 0.22 -0.07 0.23 0.71 0.02 0.00 0.00 175.26 176.37 1py2 s TYR 107 N 1.19 3.58 0.71 1.61 2.02 -1.26 -1.96 117.35 123.25 1py2 s TYR 107 Ca 0.03 0.53 -0.12 0.00 -0.37 0.00 0.00 57.07 57.15 1py2 s TYR 107 Cb -0.15 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1py2 s TYR 107 CO 0.01 0.64 1.08 0.00 -1.57 0.00 0.00 175.55 175.71 1py2 s ALA 108 N -1.25 2.49 0.36 3.71 0.00 0.90 -4.65 121.76 123.32 1py2 s ALA 108 Ca 0.25 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.54 1py2 s ALA 108 Cb -0.13 -3.24 0.67 0.00 0.00 0.00 0.00 23.12 20.43 1py2 s ALA 108 CO 0.14 -1.42 1.83 -0.44 0.00 0.00 0.00 175.76 175.88 1py2 h ASP 109 N -0.71 0.18 -2.90 0.00 5.19 -1.96 -3.44 116.42 112.78 1py2 h ASP 109 Ca -0.44 -0.05 -0.64 0.00 -0.62 0.00 0.00 57.03 55.27 1py2 h ASP 109 Cb 1.22 -0.05 -0.09 0.00 0.18 0.00 0.00 39.33 40.60 1py2 h ASP 109 CO 0.54 0.46 -0.47 -0.70 -3.12 0.00 0.00 179.24 175.95 1py2 s GLU 110 N -4.43 3.76 0.46 3.56 2.12 -1.26 -5.11 118.70 117.80 1py2 s GLU 110 Ca -0.05 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 1py2 s GLU 110 Cb 0.15 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 1py2 s GLU 110 CO 0.74 0.58 0.73 0.95 -0.54 0.00 0.00 175.26 177.72 1py2 s THR 111 N -0.47 4.58 0.17 -1.70 -4.23 -1.26 -4.52 115.64 108.21 1py2 s THR 111 Ca 0.13 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.55 1py2 s THR 111 Cb -0.12 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 69.95 1py2 s THR 111 CO 0.02 -0.62 -0.04 0.00 -0.54 0.00 0.00 174.62 173.44 1py2 s ALA 112 N -2.65 1.46 0.91 3.99 0.00 -0.56 -4.92 121.76 119.99 1py2 s ALA 112 Ca 0.47 -1.58 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1py2 s ALA 112 Cb -0.10 0.34 0.15 0.00 0.00 0.00 0.00 23.12 23.51 1py2 s ALA 112 CO 0.42 -0.23 1.22 0.95 0.00 0.00 0.00 175.76 178.12 1py2 s THR 113 N -3.49 1.97 0.27 0.00 -4.23 -1.26 -0.44 115.64 108.46 1py2 s THR 113 Ca 0.22 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1py2 s THR 113 Cb 0.05 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.23 1py2 s THR 113 CO 0.03 0.00 1.95 -0.29 -0.54 0.00 0.00 174.62 175.77 1py2 h ILE 114 N -1.45 1.24 -0.48 2.99 6.09 -1.80 0.03 117.51 124.13 1py2 h ILE 114 Ca -0.46 -0.44 -0.09 0.00 -1.37 0.00 0.00 64.86 62.50 1py2 h ILE 114 Cb 1.29 -0.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.46 1py2 h ILE 114 CO 0.53 0.23 -0.05 0.58 -3.07 0.00 0.00 178.15 176.37 1py2 h VAL 115 N 1.24 1.27 -0.05 2.19 2.07 -1.94 -1.68 116.25 119.35 1py2 h VAL 115 Ca 0.33 -1.15 -0.16 0.00 0.82 0.00 0.00 66.70 66.54 1py2 h VAL 115 Cb -0.14 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1py2 h VAL 115 CO -0.07 0.40 -0.68 -0.08 0.02 0.00 0.00 177.57 177.16 1py2 h GLU 116 N 0.73 0.24 -0.19 1.57 4.81 -1.88 -2.55 114.58 117.31 1py2 h GLU 116 Ca 0.13 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1py2 h GLU 116 Cb 0.58 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1py2 h GLU 116 CO 0.03 0.82 0.02 0.35 -0.73 0.00 0.00 179.01 179.51 1py2 h PHE 117 N 0.17 0.34 -0.12 0.92 3.57 -0.85 -2.76 116.94 118.21 1py2 h PHE 117 Ca -0.02 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1py2 h PHE 117 Cb 1.21 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1py2 h PHE 117 CO 0.02 0.49 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.45 1py2 h LEU 118 N 0.09 0.27 -1.24 0.59 3.38 -1.35 -3.10 115.31 113.95 1py2 h LEU 118 Ca 0.05 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1py2 h LEU 118 Cb 0.34 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1py2 h LEU 118 CO 0.01 0.64 0.52 0.78 0.09 0.00 0.00 178.44 180.48 1py2 h ASN 119 N -0.11 0.88 -0.60 -0.43 4.21 -1.53 0.70 115.58 118.71 1py2 h ASN 119 Ca 0.02 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.43 1py2 h ASN 119 Cb 0.55 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 1py2 h ASN 119 CO 0.02 0.63 0.04 -0.09 -1.29 0.00 0.00 177.43 176.73 1py2 h ARG 120 N 1.03 1.05 0.00 0.81 9.65 -1.53 -1.27 114.38 124.13 1py2 h ARG 120 Ca 0.30 -0.31 -0.20 0.00 -1.10 0.00 0.00 59.98 58.66 1py2 h ARG 120 Cb -0.07 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.37 1py2 h ARG 120 CO -0.07 1.00 -0.97 -1.49 2.80 0.00 0.00 179.97 181.24 1py2 h TRP 121 N 0.97 0.01 -0.28 2.20 4.06 -1.34 -1.46 115.95 120.11 1py2 h TRP 121 Ca 0.18 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 1py2 h TRP 121 Cb 0.51 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1py2 h TRP 121 CO 0.04 0.97 0.13 0.82 -3.56 0.00 0.00 178.44 176.84 1py2 h ILE 122 N 0.00 1.16 -0.65 1.49 2.04 -0.79 -1.56 117.51 119.20 1py2 h ILE 122 Ca -0.01 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1py2 h ILE 122 Cb 1.71 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1py2 h ILE 122 CO 0.13 0.16 0.18 0.74 0.00 0.00 0.00 178.15 179.35 1py2 h THR 123 N 0.32 1.25 -0.27 -0.27 2.02 -1.21 -1.76 112.91 112.99 1py2 h THR 123 Ca 0.10 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1py2 h THR 123 Cb 0.13 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1py2 h THR 123 CO -0.01 0.34 0.13 0.15 0.37 0.00 0.00 175.52 176.50 1py2 h PHE 124 N 0.98 0.24 -0.66 3.16 3.57 -1.13 -2.11 116.94 120.99 1py2 h PHE 124 Ca 0.21 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1py2 h PHE 124 Cb 0.32 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1py2 h PHE 124 CO 0.02 0.13 0.25 0.00 -2.23 0.00 0.00 178.31 176.48 1py2 h GLN 126 N 0.95 0.00 0.07 0.00 4.20 -1.08 -2.96 115.11 116.29 1py2 h GLN 126 Ca 0.22 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.67 1py2 h GLN 126 Cb 0.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.99 1py2 h GLN 126 CO -0.02 0.13 -1.12 1.03 -0.67 0.00 0.00 178.83 178.18 1py2 h SER 127 N 0.00 0.60 -0.15 1.46 0.87 -0.79 -3.18 113.55 112.36 1py2 h SER 127 Ca -0.00 -0.54 -0.18 0.00 -1.23 0.00 0.00 61.79 59.83 1py2 h SER 127 Cb 0.55 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1py2 h SER 127 CO 0.02 1.37 -0.61 0.40 -0.53 0.00 0.00 176.83 177.48 1py2 h ILE 128 N 0.20 1.32 -0.22 2.23 1.08 -1.40 -2.99 117.51 117.73 1py2 h ILE 128 Ca -0.13 -1.86 -0.01 0.00 -0.39 0.00 0.00 64.86 62.48 1py2 h ILE 128 Cb 1.79 2.02 -0.01 0.00 -3.07 0.00 0.00 36.82 37.55 1py2 h ILE 128 CO 0.20 0.58 0.10 0.40 -0.69 0.00 0.00 178.15 178.74 1py2 h ILE 129 N 0.37 1.08 0.00 -0.67 2.04 -1.65 -1.97 117.51 116.70 1py2 h ILE 129 Ca -0.03 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1py2 h ILE 129 Cb 1.24 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1py2 h ILE 129 CO 0.13 0.09 -0.03 -1.28 0.00 0.00 0.00 178.15 177.06 1py2 h SER 130 N 0.30 0.00 -1.33 1.72 0.87 -1.52 -3.33 113.55 110.27 1py2 h SER 130 Ca 0.08 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 60.01 1py2 h SER 130 Cb 0.04 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 61.76 1py2 h SER 130 CO -0.01 0.03 0.79 0.35 -0.53 0.00 0.00 176.83 177.46 1py2 n THR 131 N -3.12 3.45 -1.59 2.23 -2.24 -0.74 -5.11 114.28 107.16 1py2 n THR 131 Ca 0.02 -3.31 0.00 0.00 -2.27 0.00 0.00 64.05 58.49 1py2 n THR 131 Cb 0.44 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1py2 n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50