#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py2 h LYS 8 N 0.00 0.00 -0.32 -2.82 1.63 -2.05 -2.36 116.57 110.65 1py2 h LYS 8 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1py2 h LYS 8 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1py2 h LYS 8 CO 0.00 0.40 -0.10 -0.22 -3.45 0.00 0.00 179.45 176.08 1py2 h LYS 9 N 0.00 0.53 -0.16 1.90 3.64 -2.05 -0.81 116.57 119.62 1py2 h LYS 9 Ca -0.00 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 59.04 1py2 h LYS 9 Cb 0.79 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1py2 h LYS 9 CO 0.05 0.63 -0.65 1.15 -2.27 0.00 0.00 179.45 178.36 1py2 h THR 10 N 0.49 1.32 -0.46 1.00 2.02 -1.92 -1.87 112.91 113.50 1py2 h THR 10 Ca 0.09 -1.92 -0.08 0.00 0.77 0.00 0.00 66.41 65.27 1py2 h THR 10 Cb 0.47 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 1py2 h THR 10 CO 0.03 0.60 -0.04 -0.61 0.37 0.00 0.00 175.52 175.87 1py2 h GLN 11 N 0.45 0.77 0.01 6.66 4.15 -1.03 -2.15 115.11 123.97 1py2 h GLN 11 Ca -0.02 -0.22 -0.21 0.00 0.77 0.00 0.00 58.65 58.97 1py2 h GLN 11 Cb 1.23 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1py2 h GLN 11 CO 0.13 0.81 -0.99 -0.07 -1.93 0.00 0.00 178.83 176.77 1py2 h LEU 12 N 0.71 0.05 -0.56 -2.39 3.38 -1.18 -2.96 115.31 112.36 1py2 h LEU 12 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1py2 h LEU 12 Cb 0.49 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1py2 h LEU 12 CO 0.03 1.00 0.14 1.56 0.09 0.00 0.00 178.44 181.26 1py2 h GLN 13 N 0.01 0.90 -0.27 1.13 4.20 -1.13 -1.79 115.11 118.17 1py2 h GLN 13 Ca -0.02 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.32 1py2 h GLN 13 Cb 1.72 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.38 1py2 h GLN 13 CO 0.13 0.84 -0.44 -0.07 -0.67 0.00 0.00 178.83 178.62 1py2 h LEU 14 N 0.80 0.72 -1.16 1.46 3.38 -1.47 -2.64 115.31 116.41 1py2 h LEU 14 Ca 0.18 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1py2 h LEU 14 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1py2 h LEU 14 CO 0.00 1.06 -0.23 -0.08 0.09 0.00 0.00 178.44 179.28 1py2 h GLU 15 N 0.54 0.31 -0.35 1.13 4.81 -1.38 0.15 114.58 119.78 1py2 h GLU 15 Ca 0.04 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1py2 h GLU 15 Cb 0.98 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1py2 h GLU 15 CO 0.09 0.53 -0.45 1.25 -0.73 0.00 0.00 179.01 179.70 1py2 h HIS 16 N 0.28 1.11 -0.62 0.92 2.76 -1.25 -1.26 115.15 117.08 1py2 h HIS 16 Ca 0.05 -0.36 -0.08 0.00 -2.20 0.00 0.00 60.37 57.78 1py2 h HIS 16 Cb 0.56 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1py2 h HIS 16 CO 0.01 1.19 0.07 1.25 -1.30 0.00 0.00 177.93 179.14 1py2 h LEU 17 N 0.73 1.02 -0.58 0.26 5.85 -1.12 -1.42 115.31 120.04 1py2 h LEU 17 Ca 0.04 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1py2 h LEU 17 Cb 1.05 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1py2 h LEU 17 CO 0.11 1.04 0.33 0.25 -0.34 0.00 0.00 178.44 179.82 1py2 h LEU 18 N 0.96 0.71 -0.66 2.25 5.85 -0.63 -1.87 115.31 121.92 1py2 h LEU 18 Ca 0.18 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1py2 h LEU 18 Cb 0.48 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1py2 h LEU 18 CO 0.02 0.59 0.00 0.25 -0.34 0.00 0.00 178.44 178.96 1py2 h LEU 19 N 0.78 1.02 -0.38 2.25 6.46 -1.10 -2.07 115.31 122.27 1py2 h LEU 19 Ca 0.20 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1py2 h LEU 19 Cb 0.02 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 1py2 h LEU 19 CO -0.03 1.07 0.11 0.44 -0.62 0.00 0.00 178.44 179.41 1py2 h ASP 20 N 0.96 0.55 0.02 1.25 5.19 -1.07 -0.08 116.42 123.25 1py2 h ASP 20 Ca 0.17 -0.21 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 1py2 h ASP 20 Cb 0.55 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1py2 h ASP 20 CO 0.03 0.62 -0.30 -0.07 -3.12 0.00 0.00 179.24 176.40 1py2 h LEU 21 N 0.46 0.42 -0.58 1.55 3.38 -1.32 -2.81 115.31 116.42 1py2 h LEU 21 Ca 0.12 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1py2 h LEU 21 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1py2 h LEU 21 CO -0.00 0.71 -0.66 1.56 0.09 0.00 0.00 178.44 180.14 1py2 h GLN 22 N 0.36 0.00 -0.50 1.13 4.20 -1.20 -2.69 115.11 116.41 1py2 h GLN 22 Ca 0.05 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1py2 h GLN 22 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1py2 h GLN 22 CO 0.05 0.66 0.02 0.52 -0.67 0.00 0.00 178.83 179.41 1py2 h MET 23 N 0.00 0.88 -0.42 1.46 2.86 -0.76 -1.31 114.93 117.64 1py2 h MET 23 Ca -0.01 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 1py2 h MET 23 Cb 1.23 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1py2 h MET 23 CO 0.09 0.90 -0.11 0.82 1.06 0.00 0.00 176.91 179.67 1py2 h ILE 24 N 0.75 1.27 -0.74 -1.22 2.04 -1.52 -3.02 117.51 115.07 1py2 h ILE 24 Ca 0.14 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 1py2 h ILE 24 Cb 0.50 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1py2 h ILE 24 CO 0.02 0.41 0.30 0.25 0.00 0.00 0.00 178.15 179.13 1py2 h LEU 25 N 0.63 1.01 -0.98 1.44 5.85 -1.36 -1.79 115.31 120.12 1py2 h LEU 25 Ca 0.10 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1py2 h LEU 25 Cb 0.64 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1py2 h LEU 25 CO 0.04 0.89 0.06 -1.13 -0.34 0.00 0.00 178.44 177.97 1py2 h ASN 26 N 1.08 0.76 0.11 1.25 -1.24 -1.24 -1.83 115.58 114.47 1py2 h ASN 26 Ca 0.25 -0.16 -0.14 0.00 0.71 0.00 0.00 56.30 56.96 1py2 h ASN 26 Cb 0.19 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1py2 h ASN 26 CO -0.02 0.79 -0.51 1.23 -1.29 0.00 0.00 177.43 177.63 1py2 h GLY 27 N 0.97 0.49 1.18 1.57 0.00 -1.35 -3.21 103.07 102.71 1py2 h GLY 27 Ca 0.16 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1py2 h GLY 27 CO 0.01 0.49 -0.26 -2.22 0.00 0.00 0.00 176.54 174.56 1py2 h ILE 28 N 0.35 1.27 0.00 2.60 2.04 -1.04 -2.98 117.51 119.75 1py2 h ILE 28 Ca 0.01 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1py2 h ILE 28 Cb 1.02 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1py2 h ILE 28 CO 0.09 0.48 0.00 0.59 0.00 0.00 0.00 178.15 179.31 1py2 n ASN 29 N -4.10 0.00 -1.37 1.72 3.02 -0.71 -2.45 115.26 111.37 1py2 n ASN 29 Ca -0.00 0.03 0.11 0.00 -0.03 0.00 0.00 54.58 54.68 1py2 n ASN 29 Cb 0.47 -0.29 0.32 0.00 -0.61 0.00 0.00 39.78 39.67 1py2 n ASN 29 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1py2 n ASN 30 N -1.29 3.99 -4.68 6.41 4.13 -1.12 -4.92 115.26 117.78 1py2 n ASN 30 Ca 0.09 -2.13 -0.39 0.00 1.68 0.00 0.00 54.58 53.83 1py2 n ASN 30 Cb 0.15 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 37.83 1py2 n ASN 30 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1py2 s TYR 31 N -1.30 3.41 -0.36 3.10 2.02 -1.03 -5.02 117.35 118.17 1py2 s TYR 31 Ca 0.47 0.82 0.14 0.00 -0.37 0.00 0.00 57.07 58.13 1py2 s TYR 31 Cb 0.26 -2.65 0.42 0.00 -0.40 0.00 0.00 41.96 39.60 1py2 s TYR 31 CO 0.29 -0.04 1.11 1.63 -1.57 0.00 0.00 175.55 176.98 1py2 n LYS 32 N 4.52 1.16 -3.84 -0.62 4.76 -1.26 -4.20 118.16 118.67 1py2 n LYS 32 Ca -0.05 -2.64 -0.34 0.00 -2.87 0.00 0.00 58.31 52.40 1py2 n LYS 32 Cb 0.51 -0.77 -0.12 0.00 -1.84 0.00 0.00 35.03 32.81 1py2 n LYS 32 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1py2 s LYS 35 N -1.67 2.00 0.00 1.97 1.02 -1.26 -5.08 119.74 116.72 1py2 s LYS 35 Ca 0.25 -2.07 0.25 0.00 0.02 0.00 0.00 55.97 54.42 1py2 s LYS 35 Cb 0.43 -3.50 0.73 0.00 -0.52 0.00 0.00 37.83 34.96 1py2 s LYS 35 CO -0.02 -1.07 1.56 -0.11 -0.92 0.00 0.00 175.35 174.79 1py2 n LEU 36 N 4.12 2.07 -0.16 3.17 7.94 -1.26 -3.96 117.00 128.92 1py2 n LEU 36 Ca 0.02 -0.76 -0.09 0.00 -1.11 0.00 0.00 56.01 54.08 1py2 n LEU 36 Cb 0.40 -0.05 0.05 0.00 0.53 0.00 0.00 43.42 44.35 1py2 n LEU 36 CO 0.31 0.38 0.78 0.74 -1.11 0.00 0.00 177.39 178.49 1py2 h THR 37 N 3.07 1.26 -2.29 1.96 2.02 -1.98 -3.40 112.91 113.55 1py2 h THR 37 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1py2 h THR 37 Cb 0.66 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1py2 h THR 37 CO 0.00 0.43 0.00 0.54 0.37 0.00 0.00 175.52 176.86 1py2 n ARG 38 N -4.16 0.31 0.00 6.66 5.12 -1.25 -4.39 116.66 118.95 1py2 n ARG 38 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1py2 n ARG 38 Cb 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.68 1py2 n ARG 38 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1py2 n MET 39 N -0.90 0.00 0.22 5.56 1.56 -1.26 -4.44 117.12 117.86 1py2 n MET 39 Ca 0.00 0.00 0.15 0.00 -0.27 0.00 0.00 57.70 57.58 1py2 n MET 39 Cb 0.00 -0.22 0.58 0.00 2.15 0.00 0.00 33.22 35.72 1py2 n MET 39 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1py2 h LEU 40 N 0.00 0.00 -1.08 -0.89 3.38 -1.77 -2.69 115.31 112.25 1py2 h LEU 40 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1py2 h LEU 40 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1py2 h LEU 40 CO 0.00 0.00 -0.37 0.71 0.09 0.00 0.00 178.44 178.87 1py2 h THR 41 N 0.00 0.96 -2.22 0.22 1.35 -1.80 -3.42 112.91 108.00 1py2 h THR 41 Ca 0.00 -1.43 -0.52 0.00 -0.55 0.00 0.00 66.41 63.91 1py2 h THR 41 Cb 0.52 1.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 1py2 h THR 41 CO 0.00 0.36 1.31 0.12 -0.25 0.00 0.00 175.52 177.06 1py2 s PHE 42 N -3.77 1.77 0.08 4.73 2.19 -1.01 -4.96 117.98 117.00 1py2 s PHE 42 Ca -0.01 0.71 -0.30 0.00 0.33 0.00 0.00 56.93 57.67 1py2 s PHE 42 Cb 0.12 -4.14 -0.05 0.00 -1.31 0.00 0.00 43.02 37.64 1py2 s PHE 42 CO 0.69 -2.38 1.03 0.15 1.83 0.00 0.00 175.22 176.54 1py2 s LYS 43 N 6.58 4.59 0.17 10.12 1.02 -1.26 -4.19 119.74 136.77 1py2 s LYS 43 Ca 0.68 1.54 0.08 0.00 0.02 0.00 0.00 55.97 58.29 1py2 s LYS 43 Cb -0.14 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1py2 s LYS 43 CO 0.24 0.03 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.58 1py2 s PHE 44 N 0.45 2.74 0.17 3.18 0.08 0.24 -4.93 117.98 119.92 1py2 s PHE 44 Ca 0.51 -0.18 -0.18 0.00 0.12 0.00 0.00 56.93 57.21 1py2 s PHE 44 Cb -0.25 -1.34 -0.08 0.00 -0.57 0.00 0.00 43.02 40.79 1py2 s PHE 44 CO 0.30 0.51 0.64 0.71 -0.10 0.00 0.00 175.22 177.28 1py2 s TYR 45 N -1.68 3.67 0.06 0.36 2.02 -1.26 -1.63 117.35 118.90 1py2 s TYR 45 Ca 0.26 1.26 0.09 0.00 -0.37 0.00 0.00 57.07 58.31 1py2 s TYR 45 Cb -0.09 -2.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.92 1py2 s TYR 45 CO 0.17 0.41 -0.25 -1.64 -1.57 0.00 0.00 175.55 172.67 1py2 s MET 46 N -1.82 1.77 0.39 -0.62 -1.94 -1.26 -4.93 119.30 110.89 1py2 s MET 46 Ca 0.39 -1.14 -0.26 0.00 -1.71 0.00 0.00 55.69 52.97 1py2 s MET 46 Cb -0.17 -2.01 -0.09 0.00 2.01 0.00 0.00 34.83 34.58 1py2 s MET 46 CO 0.20 0.50 1.19 -1.25 -0.01 0.00 0.00 175.02 175.65 1py2 s PRO 47 N -1.48 4.09 0.12 2.03 0.04 -1.26 -0.05 135.00 138.48 1py2 s PRO 47 Ca 0.13 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1py2 s PRO 47 Cb -0.10 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1py2 s PRO 47 CO 0.04 -0.30 1.49 -0.22 0.04 0.00 0.00 177.00 178.05 1py2 h LYS 48 N 2.74 0.76 -3.72 4.56 3.64 -1.59 -3.40 116.57 119.56 1py2 h LYS 48 Ca -0.49 -0.33 -0.21 0.00 -1.27 0.00 0.00 60.65 58.35 1py2 h LYS 48 Cb 1.23 -0.02 -0.26 0.00 -0.41 0.00 0.00 32.23 32.77 1py2 h LYS 48 CO 0.63 0.95 -0.69 0.15 -2.27 0.00 0.00 179.45 178.21 1py2 s LYS 49 N -4.62 0.08 -0.38 1.90 1.02 -1.26 -4.96 119.74 111.52 1py2 s LYS 49 Ca -0.12 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1py2 s LYS 49 Cb 0.10 0.03 0.15 0.00 -0.52 0.00 0.00 37.83 37.59 1py2 s LYS 49 CO 0.82 -0.01 0.26 0.00 -0.92 0.00 0.00 175.35 175.50 1py2 s ALA 50 N -0.27 1.23 -0.00 5.17 0.00 -1.26 -4.96 121.76 121.67 1py2 s ALA 50 Ca -0.03 -2.15 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1py2 s ALA 50 Cb -0.02 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 1py2 s ALA 50 CO -0.00 -2.06 -0.00 0.25 0.00 0.00 0.00 175.76 173.95 1py2 n THR 51 N 3.57 0.03 -4.01 0.00 -2.24 -1.26 -4.91 114.28 105.46 1py2 n THR 51 Ca 0.18 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 1py2 n THR 51 Cb 0.40 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.01 2.82 0.54 -0.78 0.41 -1.26 -4.94 118.70 113.48 1py2 s GLU 52 Ca -0.01 -1.17 0.36 0.00 -0.41 0.00 0.00 54.97 53.74 1py2 s GLU 52 Cb 0.00 -2.51 1.67 0.00 -1.78 0.00 0.00 34.13 31.52 1py2 s GLU 52 CO 0.01 0.28 2.07 -0.07 -0.49 0.00 0.00 175.26 177.05 1py2 h LEU 53 N 1.41 0.00 -1.25 1.80 3.38 -1.97 -2.06 115.31 116.63 1py2 h LEU 53 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1py2 h LEU 53 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1py2 h LEU 53 CO 0.60 0.00 0.00 0.07 0.09 0.00 0.00 178.44 179.20 1py2 h LYS 54 N 0.00 0.00 0.00 1.13 2.10 -1.91 -3.04 116.57 114.84 1py2 h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1py2 h LYS 54 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1py2 h LYS 54 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 1py2 n HIS 55 N -2.82 0.00 0.86 0.07 8.25 -0.77 -3.45 115.22 117.35 1py2 n HIS 55 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1py2 n HIS 55 Cb 0.28 -0.08 0.44 0.00 1.12 0.00 0.00 29.99 31.75 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 -1.08 0.00 0.02 2.41 4.77 -1.15 -2.55 117.00 119.42 1py2 n LEU 56 Ca 0.19 0.19 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1py2 n LEU 56 Cb 0.13 -0.19 0.35 0.00 -2.33 0.00 0.00 43.42 41.38 1py2 n LEU 56 CO 0.17 -0.09 1.00 1.56 -1.33 0.00 0.00 177.39 178.70 1py2 h GLN 57 N 0.00 0.49 -0.12 3.23 1.08 -1.85 0.08 115.11 118.03 1py2 h GLN 57 Ca 0.00 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.05 1py2 h GLN 57 Cb 0.10 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1py2 h GLN 57 CO 0.00 0.47 -0.23 0.00 -0.95 0.00 0.00 178.83 178.12 1py2 h LEU 59 N 0.19 0.78 -0.75 0.00 5.85 -1.63 -3.22 115.31 116.51 1py2 h LEU 59 Ca 0.03 -0.90 -0.01 0.00 0.84 0.00 0.00 57.88 57.85 1py2 h LEU 59 Cb 0.51 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1py2 h LEU 59 CO 0.03 1.61 0.43 -0.08 -0.34 0.00 0.00 178.44 180.09 1py2 h GLU 60 N 0.07 1.04 0.00 1.25 4.81 -0.74 -2.39 114.58 118.63 1py2 h GLU 60 Ca -0.21 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1py2 h GLU 60 Cb 1.97 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.14 1py2 h GLU 60 CO 0.24 0.76 -0.27 0.93 -0.73 0.00 0.00 179.01 179.94 1py2 h GLU 61 N 1.04 0.00 -0.86 1.92 5.08 -1.09 -3.02 114.58 117.65 1py2 h GLU 61 Ca 0.27 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.23 1py2 h GLU 61 Cb 0.01 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.02 1py2 h GLU 61 CO -0.05 0.27 0.47 0.39 -1.00 0.00 0.00 179.01 179.10 1py2 n GLU 62 N -3.63 2.61 -0.02 2.33 -0.58 -0.92 -4.46 120.64 115.97 1py2 n GLU 62 Ca -0.01 -3.05 -0.13 0.00 -0.42 0.00 0.00 57.16 53.55 1py2 n GLU 62 Cb 0.40 -2.15 -0.14 0.00 -0.57 0.00 0.00 31.44 28.98 1py2 n GLU 62 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1py2 n LEU 63 N -0.88 1.45 -0.06 -4.62 4.77 -1.10 -3.04 117.00 113.52 1py2 n LEU 63 Ca 0.52 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.70 1py2 n LEU 63 Cb 1.53 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 42.31 1py2 n LEU 63 CO 0.52 0.56 0.76 0.50 -1.33 0.00 0.00 177.39 178.39 1py2 h LYS 64 N 0.02 0.33 -0.10 3.23 1.63 -1.81 -0.87 116.57 119.00 1py2 h LYS 64 Ca -0.35 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.36 1py2 h LYS 64 Cb 2.03 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.62 1py2 h LYS 64 CO 0.08 0.53 0.07 -1.35 -3.45 0.00 0.00 179.45 175.32 1py2 h PRO 65 N 0.09 0.09 -0.27 1.90 0.11 -1.85 0.70 132.00 132.77 1py2 h PRO 65 Ca 0.05 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 1py2 h PRO 65 Cb 0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1py2 h PRO 65 CO 0.01 0.06 -0.37 1.25 -0.21 0.00 0.00 178.00 178.74 1py2 h LEU 66 N 0.09 0.64 -0.75 2.35 5.85 -1.42 -2.32 115.31 119.76 1py2 h LEU 66 Ca 0.04 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1py2 h LEU 66 Cb 0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1py2 h LEU 66 CO -0.01 0.95 -0.52 -0.08 -0.34 0.00 0.00 178.44 178.45 1py2 h GLU 67 N 0.51 0.00 -0.32 1.25 4.81 -0.35 -2.74 114.58 117.74 1py2 h GLU 67 Ca 0.05 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1py2 h GLU 67 Cb 0.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1py2 h GLU 67 CO 0.08 0.52 -0.36 0.93 -0.73 0.00 0.00 179.01 179.44 1py2 h GLU 68 N 0.00 0.80 0.00 1.92 5.08 -0.66 -2.81 114.58 118.91 1py2 h GLU 68 Ca -0.01 -0.44 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 1py2 h GLU 68 Cb 1.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1py2 h GLU 68 CO 0.07 1.07 -0.85 -0.24 -1.00 0.00 0.00 179.01 178.06 1py2 h VAL 69 N 0.57 1.08 0.00 3.13 3.04 -1.46 -2.90 116.25 119.71 1py2 h VAL 69 Ca 0.04 -2.59 -0.13 0.00 -1.01 0.00 0.00 66.70 63.02 1py2 h VAL 69 Cb 0.94 2.50 -0.02 0.00 -2.01 0.00 0.00 31.29 32.71 1py2 h VAL 69 CO 0.09 0.61 -0.61 -0.07 -1.01 0.00 0.00 177.57 176.58 1py2 h LEU 70 N 0.00 0.00 -0.53 3.16 3.38 -1.54 -2.70 115.31 117.08 1py2 h LEU 70 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1py2 h LEU 70 Cb 1.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1py2 h LEU 70 CO 0.08 0.61 -0.53 0.78 0.09 0.00 0.00 178.44 179.48 1py2 h ASN 71 N 0.00 0.00 0.08 -0.43 -0.26 -1.52 -3.20 115.58 110.26 1py2 h ASN 71 Ca -0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.65 1py2 h ASN 71 Cb 1.16 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 1py2 h ASN 71 CO 0.08 0.53 -0.27 -0.07 -1.06 0.00 0.00 177.43 176.63 1py2 h LEU 72 N 0.00 0.31 -6.87 1.61 4.07 -1.27 -3.40 115.31 109.75 1py2 h LEU 72 Ca -0.01 -0.10 -0.40 0.00 0.08 0.00 0.00 57.88 57.45 1py2 h LEU 72 Cb 1.18 -0.08 -0.38 0.00 1.08 0.00 0.00 40.66 42.45 1py2 h LEU 72 CO 0.07 0.58 -0.70 0.00 -1.08 0.00 0.00 178.44 177.31 1py2 s ALA 73 N -4.44 0.11 0.00 1.53 0.00 -1.10 -5.11 121.76 112.76 1py2 s ALA 73 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1py2 s ALA 73 Cb 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1py2 s ALA 73 CO 0.76 -1.28 0.00 0.00 0.00 0.00 0.00 175.76 175.24 1py2 n GLN 74 N 5.29 0.00 0.00 0.00 10.64 -1.24 -4.70 117.38 127.38 1py2 n GLN 74 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1py2 n GLN 74 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 1py2 n GLN 74 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1py2 n PRO 82 N 0.00 0.00 -1.09 2.61 -0.02 -1.26 -5.16 135.00 130.08 1py2 n PRO 82 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1py2 n PRO 82 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 33.62 1py2 n PRO 82 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1py2 s ARG 83 N 0.00 1.26 0.00 -0.52 3.52 -1.26 -2.36 118.95 119.59 1py2 s ARG 83 Ca 0.00 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.60 1py2 s ARG 83 Cb 0.00 -1.80 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 1py2 s ARG 83 CO 0.00 -2.29 0.00 -0.25 -0.81 0.00 0.00 175.30 171.95 1py2 n ASP 84 N -3.94 -0.81 0.00 -2.12 9.92 -1.26 -4.48 116.55 113.86 1py2 n ASP 84 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1py2 n ASP 84 Cb 0.54 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1py2 n ASP 84 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1py2 n LEU 85 N 0.00 0.10 0.05 0.64 7.94 -1.20 -3.82 117.00 120.71 1py2 n LEU 85 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1py2 n LEU 85 Cb 0.04 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.14 1py2 n LEU 85 CO 0.00 -0.31 0.58 0.40 -1.11 0.00 0.00 177.39 176.95 1py2 h ILE 86 N 0.00 1.32 -0.77 1.96 1.08 -1.69 -2.39 117.51 117.03 1py2 h ILE 86 Ca 0.00 -1.64 -0.05 0.00 -0.39 0.00 0.00 64.86 62.78 1py2 h ILE 86 Cb 0.23 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1py2 h ILE 86 CO 0.00 0.50 0.27 -1.28 -0.69 0.00 0.00 178.15 176.94 1py2 h SER 87 N 0.31 1.09 -0.75 1.72 0.87 -1.83 -0.79 113.55 114.16 1py2 h SER 87 Ca 0.02 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 1py2 h SER 87 Cb 0.92 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1py2 h SER 87 CO 0.08 0.99 0.26 -1.13 -0.53 0.00 0.00 176.83 176.50 1py2 h ASN 88 N 1.13 1.08 -0.49 6.23 -1.24 -1.62 -2.27 115.58 118.41 1py2 h ASN 88 Ca 0.25 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 56.99 1py2 h ASN 88 Cb 0.27 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1py2 h ASN 88 CO -0.01 0.99 0.03 0.40 -1.29 0.00 0.00 177.43 177.55 1py2 h ILE 89 N 1.11 1.26 -0.61 2.57 2.04 -1.18 -2.81 117.51 119.88 1py2 h ILE 89 Ca 0.25 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1py2 h ILE 89 Cb 0.28 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1py2 h ILE 89 CO -0.01 0.36 0.23 -1.13 0.00 0.00 0.00 178.15 177.60 1py2 h ASN 90 N 0.71 0.83 -0.46 1.72 -0.00 -0.98 0.13 115.58 117.52 1py2 h ASN 90 Ca 0.14 -0.12 -0.11 0.00 -0.00 0.00 0.00 56.30 56.22 1py2 h ASN 90 Cb 0.47 -0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 38.56 1py2 h ASN 90 CO 0.02 0.75 -0.10 0.58 -0.00 0.00 0.00 177.43 178.68 1py2 h VAL 91 N 0.88 1.26 -0.30 2.57 2.07 -1.38 -1.66 116.25 119.70 1py2 h VAL 91 Ca 0.21 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 1py2 h VAL 91 Cb 0.19 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1py2 h VAL 91 CO -0.02 0.43 -0.19 0.40 0.02 0.00 0.00 177.57 178.21 1py2 h ILE 92 N 0.83 1.30 -0.40 4.57 1.08 -1.18 -2.44 117.51 121.28 1py2 h ILE 92 Ca 0.13 -1.32 -0.02 0.00 -0.39 0.00 0.00 64.86 63.26 1py2 h ILE 92 Cb 0.64 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1py2 h ILE 92 CO 0.04 0.42 0.17 0.58 -0.69 0.00 0.00 178.15 178.68 1py2 h VAL 93 N 0.42 1.19 -0.12 1.67 2.07 -0.93 -2.11 116.25 118.44 1py2 h VAL 93 Ca 0.06 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1py2 h VAL 93 Cb 0.74 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1py2 h VAL 93 CO 0.05 0.20 -0.17 -0.07 0.02 0.00 0.00 177.57 177.61 1py2 h LEU 94 N 0.50 0.18 -0.51 2.57 3.38 -1.33 -2.45 115.31 117.66 1py2 h LEU 94 Ca 0.13 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1py2 h LEU 94 Cb 0.16 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1py2 h LEU 94 CO -0.01 0.37 -0.56 -0.08 0.09 0.00 0.00 178.44 178.25 1py2 h GLU 95 N 0.18 0.00 0.05 1.13 4.81 -1.21 -2.46 114.58 117.09 1py2 h GLU 95 Ca 0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1py2 h GLU 95 Cb 0.41 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.80 1py2 h GLU 95 CO 0.03 0.56 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.47 1py2 h LEU 96 N 0.00 0.19 -0.37 1.64 3.38 -0.97 -3.33 115.31 115.84 1py2 h LEU 96 Ca -0.01 -0.97 -0.08 0.00 0.09 0.00 0.00 57.88 56.91 1py2 h LEU 96 Cb 1.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1py2 h LEU 96 CO 0.07 1.15 -0.39 0.07 0.09 0.00 0.00 178.44 179.44 1py2 h LYS 97 N -0.74 0.00 0.00 1.13 2.10 -1.58 -3.47 116.57 114.01 1py2 h LYS 97 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1py2 h LYS 97 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1py2 h LYS 97 CO 0.06 0.39 0.00 0.41 -2.00 0.00 0.00 179.45 178.31 1py2 n GLY 98 N 0.85 1.90 0.12 0.07 0.00 -0.92 -4.77 105.19 102.43 1py2 n GLY 98 Ca 0.01 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1py2 n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1py2 h GLU 100 N 0.00 0.15 -6.40 1.61 5.08 -2.01 -3.46 114.58 109.54 1py2 h GLU 100 Ca 0.00 -0.25 -0.54 0.00 -1.00 0.00 0.00 59.36 57.57 1py2 h GLU 100 Cb 0.00 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1py2 h GLU 100 CO 0.00 1.12 1.10 0.95 -1.00 0.00 0.00 179.01 181.18 1py2 s THR 101 N -2.44 3.79 -0.01 1.13 -4.23 -1.26 -5.00 115.64 107.61 1py2 s THR 101 Ca -0.24 0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 60.79 1py2 s THR 101 Cb 0.05 -4.47 -0.06 0.00 1.34 0.00 0.00 72.50 69.36 1py2 s THR 101 CO 0.70 -1.22 0.39 0.42 -0.54 0.00 0.00 174.62 174.37 1py2 s THR 102 N 6.04 5.06 -0.14 3.99 -4.23 -1.26 -5.01 115.64 120.09 1py2 s THR 102 Ca 0.51 0.80 0.01 0.00 -1.18 0.00 0.00 61.69 61.84 1py2 s THR 102 Cb -0.10 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.04 1py2 s THR 102 CO 0.24 0.57 -0.18 0.12 -0.54 0.00 0.00 174.62 174.84 1py2 s PHE 103 N -1.00 2.72 -0.28 3.99 5.36 -1.26 -5.09 117.98 122.42 1py2 s PHE 103 Ca 0.23 -0.99 -0.29 0.00 -0.96 0.00 0.00 56.93 54.92 1py2 s PHE 103 Cb -0.16 -1.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.69 1py2 s PHE 103 CO 0.13 -0.42 1.18 1.41 -1.46 0.00 0.00 175.22 176.06 1py2 s MET 104 N 0.61 4.05 0.08 10.12 -2.45 -1.26 -4.91 119.30 125.54 1py2 s MET 104 Ca -0.10 1.25 -0.30 0.00 -1.25 0.00 0.00 55.69 55.29 1py2 s MET 104 Cb -0.16 -3.79 -0.05 0.00 1.25 0.00 0.00 34.83 32.08 1py2 s MET 104 CO 0.03 -0.93 1.07 0.00 1.05 0.00 0.00 175.02 176.23 1py2 s GLU 106 N 0.48 3.91 0.25 0.00 -6.30 -1.26 -5.07 118.70 110.71 1py2 s GLU 106 Ca 0.52 -0.19 -0.12 0.00 -2.50 0.00 0.00 54.97 52.69 1py2 s GLU 106 Cb -0.26 -3.68 -0.08 0.00 0.00 0.00 0.00 34.13 30.11 1py2 s GLU 106 CO 0.30 -0.28 0.61 0.71 0.02 0.00 0.00 175.26 176.62 1py2 s TYR 107 N 1.93 3.42 0.62 5.30 2.02 -1.26 -1.77 117.35 127.61 1py2 s TYR 107 Ca 0.11 0.99 -0.15 0.00 -0.37 0.00 0.00 57.07 57.65 1py2 s TYR 107 Cb -0.16 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.03 1py2 s TYR 107 CO 0.11 0.22 1.08 0.00 -1.57 0.00 0.00 175.55 175.38 1py2 s ALA 108 N -1.85 2.64 0.29 3.71 0.00 0.92 -4.58 121.76 122.89 1py2 s ALA 108 Ca 0.49 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1py2 s ALA 108 Cb -0.11 -3.26 0.43 0.00 0.00 0.00 0.00 23.12 20.17 1py2 s ALA 108 CO 0.20 -0.99 1.69 -0.44 0.00 0.00 0.00 175.76 176.21 1py2 h ASP 109 N 0.25 0.29 -3.36 0.00 3.32 -1.96 -3.43 116.42 111.52 1py2 h ASP 109 Ca -0.47 -0.12 -0.58 0.00 0.02 0.00 0.00 57.03 55.88 1py2 h ASP 109 Cb 1.23 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 1py2 h ASP 109 CO 0.56 0.67 -0.17 -1.83 -1.72 0.00 0.00 179.24 176.76 1py2 s GLU 110 N -4.15 4.28 0.56 3.56 -1.05 -1.26 -5.08 118.70 115.55 1py2 s GLU 110 Ca -0.05 0.35 -0.04 0.00 -0.15 0.00 0.00 54.97 55.08 1py2 s GLU 110 Cb 0.13 -3.46 0.01 0.00 -0.44 0.00 0.00 34.13 30.37 1py2 s GLU 110 CO 0.78 0.10 0.84 0.95 0.95 0.00 0.00 175.26 178.88 1py2 s THR 111 N 0.83 3.63 0.18 1.83 -4.23 -1.26 -4.53 115.64 112.09 1py2 s THR 111 Ca 0.23 -0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1py2 s THR 111 Cb -0.15 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 1py2 s THR 111 CO 0.09 -0.39 0.14 0.00 -0.54 0.00 0.00 174.62 173.92 1py2 s ALA 112 N -2.88 0.94 0.82 3.99 0.00 -0.64 -4.93 121.76 119.05 1py2 s ALA 112 Ca 0.53 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 1py2 s ALA 112 Cb -0.10 1.20 0.14 0.00 0.00 0.00 0.00 23.12 24.36 1py2 s ALA 112 CO 0.43 -0.58 1.14 0.95 0.00 0.00 0.00 175.76 177.69 1py2 s THR 113 N -4.11 2.11 0.26 0.00 -4.23 -1.26 0.82 115.64 109.23 1py2 s THR 113 Ca 0.33 -0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1py2 s THR 113 Cb 0.06 -2.87 0.23 0.00 1.34 0.00 0.00 72.50 71.27 1py2 s THR 113 CO 0.08 0.00 1.91 -0.29 -0.54 0.00 0.00 174.62 175.78 1py2 h ILE 114 N -1.01 1.24 -0.05 2.99 2.10 -1.79 0.68 117.51 121.67 1py2 h ILE 114 Ca -0.42 -0.54 -0.00 0.00 1.08 0.00 0.00 64.86 64.98 1py2 h ILE 114 Cb 1.27 0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1py2 h ILE 114 CO 0.46 0.26 0.02 0.58 -1.08 0.00 0.00 178.15 178.39 1py2 h VAL 115 N 1.19 1.13 -0.31 2.19 2.07 -1.94 0.10 116.25 120.69 1py2 h VAL 115 Ca 0.31 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1py2 h VAL 115 Cb -0.04 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1py2 h VAL 115 CO -0.06 0.11 -0.08 -0.33 0.02 0.00 0.00 177.57 177.23 1py2 h GLU 116 N -0.07 0.51 0.05 1.57 5.08 -1.90 0.04 114.58 119.86 1py2 h GLU 116 Ca 0.02 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1py2 h GLU 116 Cb 0.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1py2 h GLU 116 CO -0.00 0.60 -0.02 0.35 -1.00 0.00 0.00 179.01 178.94 1py2 h PHE 117 N 0.48 -0.06 -0.54 4.33 3.57 -0.64 -2.41 116.94 121.67 1py2 h PHE 117 Ca 0.09 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1py2 h PHE 117 Cb 0.44 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1py2 h PHE 117 CO 0.01 0.16 0.13 -0.07 -2.23 0.00 0.00 178.31 176.31 1py2 h LEU 118 N -0.27 0.83 -1.02 0.59 3.38 -0.60 -3.00 115.31 115.21 1py2 h LEU 118 Ca -0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1py2 h LEU 118 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1py2 h LEU 118 CO 0.01 0.85 0.18 0.78 0.09 0.00 0.00 178.44 180.35 1py2 h ASN 119 N 0.77 0.82 -0.65 -0.43 4.21 -1.01 0.20 115.58 119.49 1py2 h ASN 119 Ca 0.17 -0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 1py2 h ASN 119 Cb 0.35 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1py2 h ASN 119 CO 0.00 0.78 0.28 -0.09 -1.29 0.00 0.00 177.43 177.11 1py2 h ARG 120 N 0.86 0.96 0.00 0.81 9.65 -1.36 0.60 114.38 125.90 1py2 h ARG 120 Ca 0.19 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1py2 h ARG 120 Cb 0.26 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1py2 h ARG 120 CO -0.01 0.79 -0.07 -1.49 2.80 0.00 0.00 179.97 181.99 1py2 h TRP 121 N 0.91 0.00 -0.01 2.20 4.06 -1.35 -0.67 115.95 121.09 1py2 h TRP 121 Ca 0.22 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.91 1py2 h TRP 121 Cb 0.17 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1py2 h TRP 121 CO 0.01 0.00 -0.99 0.82 -3.56 0.00 0.00 178.44 174.72 1py2 h ILE 122 N 0.00 1.29 -0.70 1.49 2.04 -0.69 -2.86 117.51 118.08 1py2 h ILE 122 Ca 0.00 -2.21 -0.04 0.00 1.00 0.00 0.00 64.86 63.61 1py2 h ILE 122 Cb 0.85 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 1py2 h ILE 122 CO 0.00 0.68 0.29 0.74 0.00 0.00 0.00 178.15 179.86 1py2 h THR 123 N 0.36 1.24 0.47 -0.27 2.02 -0.67 -2.31 112.91 113.74 1py2 h THR 123 Ca -0.12 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1py2 h THR 123 Cb 1.65 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1py2 h THR 123 CO 0.20 0.30 -0.24 0.15 0.37 0.00 0.00 175.52 176.30 1py2 h PHE 124 N 0.99 -0.61 -0.60 3.16 3.57 -1.20 -2.63 116.94 119.62 1py2 h PHE 124 Ca 0.23 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1py2 h PHE 124 Cb 0.20 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1py2 h PHE 124 CO 0.01 -0.38 0.35 0.00 -2.23 0.00 0.00 178.31 176.07 1py2 h GLN 126 N 0.68 1.25 -0.37 0.00 4.20 -1.42 -2.50 115.11 116.95 1py2 h GLN 126 Ca 0.25 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 1py2 h GLN 126 Cb 0.07 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1py2 h GLN 126 CO -0.13 0.88 -0.13 1.03 -0.67 0.00 0.00 178.83 179.81 1py2 h SER 127 N 1.26 0.75 -0.52 1.46 0.87 -1.05 -2.76 113.55 113.56 1py2 h SER 127 Ca 0.33 -0.39 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 1py2 h SER 127 Cb -0.03 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1py2 h SER 127 CO -0.06 0.97 -0.05 0.40 -0.53 0.00 0.00 176.83 177.55 1py2 h ILE 128 N 0.53 1.26 -0.56 2.23 1.08 -1.34 -2.80 117.51 117.90 1py2 h ILE 128 Ca 0.09 -1.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.35 1py2 h ILE 128 Cb 0.66 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 1py2 h ILE 128 CO 0.05 0.42 0.28 0.40 -0.69 0.00 0.00 178.15 178.61 1py2 h ILE 129 N 0.90 1.18 0.00 -0.67 2.04 -1.43 -1.66 117.51 117.87 1py2 h ILE 129 Ca 0.15 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1py2 h ILE 129 Cb 0.60 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1py2 h ILE 129 CO 0.04 0.21 -0.09 0.28 0.00 0.00 0.00 178.15 178.59 1py2 h SER 130 N 0.79 0.00 -0.03 1.72 0.02 -1.23 -3.51 113.55 111.31 1py2 h SER 130 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1py2 h SER 130 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1py2 h SER 130 CO -0.03 0.09 0.00 0.35 -1.14 0.00 0.00 176.83 176.10