#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oxq n SER 0 N 0.00 1.28 0.16 1.61 2.88 -1.26 -3.28 113.62 115.02 2oxq n SER 0 Ca 0.00 -2.03 0.03 0.00 -1.33 0.00 0.00 58.87 55.54 2oxq n SER 0 Cb 0.00 -0.19 0.40 0.00 -0.75 0.00 0.00 64.21 63.67 2oxq n SER 0 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2oxq h MET 1 N 1.24 0.12 0.09 -1.46 4.05 -1.96 -2.57 114.93 114.44 2oxq h MET 1 Ca 0.00 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2oxq h MET 1 Cb 0.36 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 2oxq h MET 1 CO 0.02 0.34 -0.51 0.00 0.23 0.00 0.00 176.91 176.99 2oxq h ALA 2 N 1.67 -0.93 -0.92 0.39 0.00 -1.71 0.17 119.26 117.92 2oxq h ALA 2 Ca 0.02 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2oxq h ALA 2 Cb 0.46 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 2oxq h ALA 2 CO 0.03 -1.10 0.55 1.25 0.00 0.00 0.00 179.25 179.99 2oxq h LEU 3 N -0.72 0.79 -0.31 0.00 5.85 -1.73 0.14 115.31 119.33 2oxq h LEU 3 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2oxq h LEU 3 Cb 0.74 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2oxq h LEU 3 CO -0.30 0.42 0.14 0.50 -0.34 0.00 0.00 178.44 178.86 2oxq h LYS 4 N 0.87 0.46 -0.11 1.25 3.64 -1.02 -1.85 116.57 119.82 2oxq h LYS 4 Ca 0.46 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2oxq h LYS 4 Cb 0.48 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2oxq h LYS 4 CO -0.27 0.44 0.05 -0.09 -2.27 0.00 0.00 179.45 177.31 2oxq h ARG 5 N 0.36 0.16 -0.98 1.90 9.65 0.27 -2.21 114.38 123.53 2oxq h ARG 5 Ca 0.11 -0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.08 2oxq h ARG 5 Cb 0.14 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.62 2oxq h ARG 5 CO -0.01 0.23 0.62 0.82 2.80 0.00 0.00 179.97 184.43 2oxq h ILE 6 N 0.05 0.93 -0.49 1.20 2.04 -0.70 -1.57 117.51 118.96 2oxq h ILE 6 Ca 0.04 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 2oxq h ILE 6 Cb 0.12 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 2oxq h ILE 6 CO -0.00 0.17 0.08 1.56 0.00 0.00 0.00 178.15 179.96 2oxq h GLN 7 N 0.96 0.81 -0.68 2.37 4.20 -0.91 -1.40 115.11 120.46 2oxq h GLN 7 Ca 0.48 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 2oxq h GLN 7 Cb 0.49 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2oxq h GLN 7 CO -0.24 0.81 0.27 0.87 -0.67 0.00 0.00 178.83 179.86 2oxq h LYS 8 N 0.68 1.01 -0.60 1.46 6.56 -0.76 0.20 116.57 125.14 2oxq h LYS 8 Ca 0.15 -0.18 0.04 0.00 -1.06 0.00 0.00 60.65 59.59 2oxq h LYS 8 Cb 0.39 -0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 2oxq h LYS 8 CO 0.01 0.84 0.35 0.93 -2.06 0.00 0.00 179.45 179.52 2oxq h GLU 9 N 0.96 0.65 -0.35 3.15 5.08 -1.08 0.40 114.58 123.40 2oxq h GLU 9 Ca 0.23 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2oxq h GLU 9 Cb 0.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2oxq h GLU 9 CO -0.02 0.43 0.10 1.25 -1.00 0.00 0.00 179.01 179.77 2oxq h LEU 10 N 0.67 0.52 -1.16 1.33 5.85 -0.79 1.07 115.31 122.80 2oxq h LEU 10 Ca 0.25 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2oxq h LEU 10 Cb 0.08 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2oxq h LEU 10 CO -0.13 0.60 0.57 1.56 -0.34 0.00 0.00 178.44 180.70 2oxq h GLN 11 N 0.41 1.12 0.15 1.25 4.20 -0.28 -1.33 115.11 120.64 2oxq h GLN 11 Ca 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2oxq h GLN 11 Cb 0.27 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2oxq h GLN 11 CO -0.00 0.74 -0.07 -0.44 -0.67 0.00 0.00 178.83 178.39 2oxq h ASP 12 N 1.16 -0.17 -0.23 1.46 3.45 0.32 -3.09 116.42 119.33 2oxq h ASP 12 Ca 0.32 -0.38 0.05 0.00 0.43 0.00 0.00 57.03 57.45 2oxq h ASP 12 Cb -0.13 0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 38.61 2oxq h ASP 12 CO -0.07 0.38 -0.43 0.25 -1.57 0.00 0.00 179.24 177.80 2oxq h LEU 13 N -0.82 -1.39 -0.49 1.55 7.12 0.14 0.18 115.31 121.60 2oxq h LEU 13 Ca -0.02 0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.18 2oxq h LEU 13 Cb 0.54 0.58 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 2oxq h LEU 13 CO 0.03 -0.41 0.00 0.00 -0.13 0.00 0.00 178.44 177.93 2oxq n GLN 14 N -5.43 0.09 0.01 1.25 6.02 -0.52 -1.30 117.38 117.50 2oxq n GLN 14 Ca -0.03 0.43 -0.18 0.00 -0.01 0.00 0.00 57.00 57.20 2oxq n GLN 14 Cb 0.36 -1.71 -0.14 0.00 1.02 0.00 0.00 30.24 29.77 2oxq n GLN 14 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2oxq h ARG 15 N 0.00 0.21 -2.48 -1.09 9.65 -0.90 -3.41 114.38 116.37 2oxq h ARG 15 Ca 0.00 -0.36 -0.59 0.00 -1.10 0.00 0.00 59.98 57.92 2oxq h ARG 15 Cb 0.19 0.14 -0.39 0.00 -1.39 0.00 0.00 29.97 28.52 2oxq h ARG 15 CO 0.00 1.17 -0.91 -0.25 2.80 0.00 0.00 179.97 182.78 2oxq n ASP 16 N -4.25 0.13 -4.66 -3.80 9.92 -0.75 -5.11 116.55 108.03 2oxq n ASP 16 Ca -0.14 -2.52 -0.42 0.00 -0.53 0.00 0.00 54.79 51.18 2oxq n ASP 16 Cb 0.73 -0.59 0.01 0.00 -0.64 0.00 0.00 41.12 40.63 2oxq n ASP 16 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2oxq n PRO 17 N 2.66 1.70 -2.12 -0.24 -0.02 -0.42 -4.78 135.00 131.78 2oxq n PRO 17 Ca 0.28 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 2oxq n PRO 17 Cb 0.46 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2oxq n PRO 17 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2oxq s PRO 18 N -2.00 3.60 0.09 0.52 0.02 -1.26 -4.88 135.00 131.09 2oxq s PRO 18 Ca 0.60 1.92 -0.36 0.00 0.02 0.00 0.00 61.00 63.18 2oxq s PRO 18 Cb -0.56 -2.39 -0.16 0.00 0.02 0.00 0.00 34.50 31.42 2oxq s PRO 18 CO 0.59 -0.72 1.43 0.00 -0.33 0.00 0.00 177.00 177.97 2oxq n ALA 19 N -0.60 -0.28 0.00 -1.55 0.00 -1.26 -1.06 120.51 115.77 2oxq n ALA 19 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2oxq n ALA 19 Cb 0.47 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2oxq n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2oxq n GLN 20 N 2.94 0.00 -4.00 0.00 1.13 -1.26 -4.98 117.38 111.21 2oxq n GLN 20 Ca 0.18 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 55.01 2oxq n GLN 20 Cb 0.22 -1.72 -0.06 0.00 0.11 0.00 0.00 30.24 28.79 2oxq n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oxq s SER 22 N -3.92 -0.71 0.14 0.00 0.15 -0.68 -4.41 113.70 104.27 2oxq s SER 22 Ca 0.41 1.27 -0.07 0.00 0.70 0.00 0.00 55.95 58.26 2oxq s SER 22 Cb -0.01 1.26 -0.02 0.00 -1.71 0.00 0.00 66.02 65.54 2oxq s SER 22 CO 0.24 -0.30 0.21 0.00 1.20 0.00 0.00 173.24 174.58 2oxq s ALA 23 N 0.09 0.21 0.00 5.45 0.00 -1.26 -0.19 121.76 126.06 2oxq s ALA 23 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2oxq s ALA 23 Cb -0.04 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2oxq s ALA 23 CO 0.02 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2oxq n GLY 24 N -0.16 0.83 3.73 0.00 0.00 -0.38 -4.84 105.19 104.38 2oxq n GLY 24 Ca -0.08 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2oxq n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oxq s PRO 25 N -2.00 2.36 -0.92 1.61 0.04 -1.26 -0.41 135.00 134.41 2oxq s PRO 25 Ca 0.00 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 2oxq s PRO 25 Cb 0.00 -1.86 0.26 0.00 0.04 0.00 0.00 34.50 32.94 2oxq s PRO 25 CO 0.00 -1.67 1.01 0.28 0.04 0.00 0.00 177.00 176.66 2oxq n VAL 26 N -2.45 3.71 0.00 -0.36 0.31 -0.89 -4.62 118.33 114.02 2oxq n VAL 26 Ca 0.13 -5.40 0.00 0.00 -0.01 0.00 0.00 64.34 59.07 2oxq n VAL 26 Cb 0.50 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 2oxq n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oxq n GLY 27 N 1.78 1.09 0.00 2.92 0.00 -1.26 -4.86 105.19 104.85 2oxq n GLY 27 Ca 0.25 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2oxq n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oxq n ASP 28 N 1.65 0.00 0.00 1.61 8.00 -1.26 -5.00 116.55 121.54 2oxq n ASP 28 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2oxq n ASP 28 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2oxq n ASP 28 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2oxq n ASP 29 N 0.00 0.00 0.00 -2.24 5.75 -1.26 -4.61 116.55 114.19 2oxq n ASP 29 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.79 2oxq n ASP 29 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 2oxq n ASP 29 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2oxq n LEU 30 N 0.00 0.00 0.00 -2.12 4.77 -1.26 -1.26 117.00 117.13 2oxq n LEU 30 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2oxq n LEU 30 Cb 0.00 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.66 2oxq n LEU 30 CO 0.00 0.00 0.81 0.49 -1.33 0.00 0.00 177.39 177.36 2oxq n PHE 31 N -0.94 0.00 -3.87 -1.77 3.01 -1.26 -4.50 117.46 108.12 2oxq n PHE 31 Ca 0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.25 2oxq n PHE 31 Cb 0.01 -0.14 -0.17 0.00 -0.01 0.00 0.00 39.48 39.17 2oxq n PHE 31 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2oxq s HIS 32 N -2.28 0.75 0.28 1.38 3.76 -0.39 -0.69 115.29 118.11 2oxq s HIS 32 Ca 0.25 -0.23 0.06 0.00 -0.15 0.00 0.00 55.06 55.00 2oxq s HIS 32 Cb 0.14 -0.80 -0.06 0.00 1.11 0.00 0.00 32.58 32.97 2oxq s HIS 32 CO 0.27 -0.31 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.22 2oxq s TRP 33 N 1.69 1.96 0.06 1.40 0.52 0.33 -2.10 118.94 122.79 2oxq s TRP 33 Ca 0.01 -0.72 0.08 0.00 0.02 0.00 0.00 56.10 55.50 2oxq s TRP 33 Cb -0.13 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 2oxq s TRP 33 CO -0.04 0.26 -0.23 -1.14 0.02 0.00 0.00 176.95 175.82 2oxq s GLN 34 N -3.74 1.47 -0.07 4.98 -0.44 0.45 -1.85 119.66 120.46 2oxq s GLN 34 Ca 0.30 -1.04 -0.12 0.00 -2.50 0.00 0.00 55.36 52.00 2oxq s GLN 34 Cb 0.04 -1.64 0.03 0.00 -1.64 0.00 0.00 33.01 29.79 2oxq s GLN 34 CO 0.12 0.42 0.30 0.00 0.50 0.00 0.00 175.29 176.63 2oxq s ALA 35 N -0.86 -0.76 0.07 1.58 0.00 -0.62 -1.24 121.76 119.93 2oxq s ALA 35 Ca 0.09 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.72 2oxq s ALA 35 Cb -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2oxq s ALA 35 CO 0.02 -0.20 -0.20 0.95 0.00 0.00 0.00 175.76 176.34 2oxq s THR 36 N -0.54 1.60 -0.05 0.00 -4.23 0.74 -0.26 115.64 112.89 2oxq s THR 36 Ca -0.06 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 2oxq s THR 36 Cb -0.04 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.38 2oxq s THR 36 CO 0.02 0.04 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.41 2oxq s ILE 37 N -1.00 0.97 0.02 2.99 1.01 0.35 -1.69 121.20 123.85 2oxq s ILE 37 Ca 0.06 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 2oxq s ILE 37 Cb -0.09 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 2oxq s ILE 37 CO 0.03 0.31 0.52 -0.04 0.00 0.00 0.00 174.94 175.77 2oxq s MET 38 N 0.62 4.17 -0.68 2.79 -1.94 -0.51 -0.46 119.30 123.30 2oxq s MET 38 Ca -0.12 0.62 -0.33 0.00 -1.71 0.00 0.00 55.69 54.15 2oxq s MET 38 Cb -0.14 -3.28 -0.16 0.00 2.01 0.00 0.00 34.83 33.26 2oxq s MET 38 CO 0.02 0.54 2.44 0.41 -0.01 0.00 0.00 175.02 178.43 2oxq n GLY 39 N 2.08 -0.08 0.00 -0.03 0.00 0.15 -4.73 105.19 102.58 2oxq n GLY 39 Ca -0.10 1.00 0.00 0.00 0.00 0.00 0.00 46.02 46.92 2oxq n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oxq n PRO 40 N 8.38 0.00 0.00 1.61 -0.02 -1.26 -4.01 135.00 139.70 2oxq n PRO 40 Ca 0.53 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2oxq n PRO 40 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.65 2oxq n PRO 40 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2oxq n SER 41 N 0.00 0.00 0.00 2.55 2.88 -1.26 0.52 113.62 118.31 2oxq n SER 41 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2oxq n SER 41 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2oxq n SER 41 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2oxq n ASP 42 N 0.00 0.00 -4.83 -3.46 2.03 -1.26 -5.02 116.55 104.01 2oxq n ASP 42 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 2oxq n ASP 42 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2oxq n ASP 42 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2oxq s SER 43 N -0.55 4.61 0.00 1.67 1.04 1.97 -4.93 113.70 117.52 2oxq s SER 43 Ca 0.00 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 55.39 2oxq s SER 43 Cb 0.00 -0.10 0.27 0.00 0.10 0.00 0.00 66.02 66.29 2oxq s SER 43 CO 0.00 -0.79 1.20 -0.81 0.98 0.00 0.00 173.24 173.81 2oxq n PRO 44 N -1.50 1.28 0.00 4.02 -0.04 -1.26 -3.20 135.00 134.31 2oxq n PRO 44 Ca -0.02 -0.44 0.12 0.00 -0.04 0.00 0.00 63.50 63.12 2oxq n PRO 44 Cb 0.64 -1.14 0.15 0.00 -0.04 0.00 0.00 33.50 33.11 2oxq n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2oxq n TYR 45 N -0.18 0.00 -1.57 0.54 4.01 -1.26 -3.72 117.16 114.98 2oxq n TYR 45 Ca 0.06 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.35 2oxq n TYR 45 Cb 0.12 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 2oxq n TYR 45 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2oxq n GLN 46 N -0.22 1.21 -0.93 -0.72 7.27 -1.19 -1.76 117.38 121.04 2oxq n GLN 46 Ca 0.11 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.60 2oxq n GLN 46 Cb 0.43 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.32 2oxq n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2oxq n GLY 47 N 1.30 0.81 3.78 1.69 0.00 -1.26 -4.90 105.19 106.61 2oxq n GLY 47 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2oxq n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oxq s GLY 48 N -1.95 1.83 -0.11 -0.02 0.00 -0.72 -4.69 107.32 101.65 2oxq s GLY 48 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.60 2oxq s GLY 48 CO 0.00 -1.14 -0.18 0.14 0.00 0.00 0.00 173.10 171.92 2oxq s VAL 49 N -1.60 1.71 -0.03 1.40 1.01 0.21 0.29 120.40 123.39 2oxq s VAL 49 Ca 0.30 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2oxq s VAL 49 Cb -0.11 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2oxq s VAL 49 CO 0.22 0.48 -0.24 -0.36 0.00 0.00 0.00 175.10 175.21 2oxq s PHE 50 N 0.82 2.40 -0.09 5.22 0.08 0.39 -4.71 117.98 122.09 2oxq s PHE 50 Ca -0.09 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.53 2oxq s PHE 50 Cb -0.16 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2oxq s PHE 50 CO 0.00 -0.03 -0.07 -0.06 -0.10 0.00 0.00 175.22 174.97 2oxq s PHE 51 N -0.58 2.95 0.11 0.36 0.08 -1.26 -0.49 117.98 119.15 2oxq s PHE 51 Ca 0.09 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.10 2oxq s PHE 51 Cb -0.11 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 2oxq s PHE 51 CO -0.00 0.23 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.73 2oxq s LEU 52 N -0.51 2.42 -0.11 -0.37 1.02 0.63 -0.12 118.68 121.65 2oxq s LEU 52 Ca 0.08 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.40 2oxq s LEU 52 Cb -0.12 -0.34 -0.02 0.00 0.02 0.00 0.00 46.19 45.74 2oxq s LEU 52 CO 0.02 -0.26 -0.15 0.42 0.02 0.00 0.00 176.35 176.40 2oxq s THR 53 N -2.53 2.93 -0.21 5.49 -4.23 0.41 -1.59 115.64 115.91 2oxq s THR 53 Ca 0.07 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 59.83 2oxq s THR 53 Cb -0.02 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2oxq s THR 53 CO 0.00 0.54 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.96 2oxq s ILE 54 N 0.15 3.50 -0.24 2.99 1.01 -0.77 -1.90 121.20 125.92 2oxq s ILE 54 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2oxq s ILE 54 Cb -0.15 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.77 2oxq s ILE 54 CO 0.05 0.42 -0.09 -1.00 0.00 0.00 0.00 174.94 174.32 2oxq s HIS 55 N 1.35 3.09 -0.06 3.97 3.76 0.29 -0.52 115.29 127.17 2oxq s HIS 55 Ca 0.04 -1.81 -0.28 0.00 -0.15 0.00 0.00 55.06 52.87 2oxq s HIS 55 Cb -0.14 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2oxq s HIS 55 CO -0.02 -0.79 0.89 -0.06 -0.85 0.00 0.00 174.74 173.92 2oxq s PHE 56 N 1.25 3.57 1.04 1.40 0.08 0.14 -0.53 117.98 124.93 2oxq s PHE 56 Ca -0.02 1.50 -0.17 0.00 0.12 0.00 0.00 56.93 58.35 2oxq s PHE 56 Cb -0.17 -3.04 0.26 0.00 -0.57 0.00 0.00 43.02 39.50 2oxq s PHE 56 CO -0.06 -0.07 0.95 -0.35 -0.10 0.00 0.00 175.22 175.60 2oxq n PRO 57 N 4.30 -2.72 0.10 0.24 -0.04 -1.26 -4.89 135.00 130.73 2oxq n PRO 57 Ca 0.05 -1.51 0.12 0.00 -0.04 0.00 0.00 63.50 62.11 2oxq n PRO 57 Cb 0.50 -1.39 0.21 0.00 -0.04 0.00 0.00 33.50 32.79 2oxq n PRO 57 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2oxq h THR 58 N -2.50 0.00 -0.01 0.52 1.35 -1.97 -3.18 112.91 107.13 2oxq h THR 58 Ca -0.35 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2oxq h THR 58 Cb 1.07 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2oxq h THR 58 CO 0.23 0.00 -0.13 0.47 -0.25 0.00 0.00 175.52 175.85 2oxq n ASP 59 N -2.35 1.30 -4.61 5.36 10.43 -1.26 -4.84 116.55 120.57 2oxq n ASP 59 Ca 0.04 -1.22 -0.45 0.00 2.57 0.00 0.00 54.79 55.73 2oxq n ASP 59 Cb 0.46 0.07 -0.02 0.00 1.84 0.00 0.00 41.12 43.47 2oxq n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2oxq n TYR 60 N -0.20 1.53 0.77 1.24 9.36 -1.20 0.13 117.16 128.80 2oxq n TYR 60 Ca 0.16 0.64 0.04 0.00 3.32 0.00 0.00 57.90 62.06 2oxq n TYR 60 Cb 0.36 -2.31 0.15 0.00 -0.63 0.00 0.00 39.34 36.91 2oxq n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2oxq n PRO 61 N 1.04 1.99 0.04 2.98 -0.04 -1.26 -4.16 135.00 135.60 2oxq n PRO 61 Ca 0.10 -1.18 0.12 0.00 -0.04 0.00 0.00 63.50 62.50 2oxq n PRO 61 Cb 0.31 -1.41 0.50 0.00 -0.04 0.00 0.00 33.50 32.86 2oxq n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2oxq n PHE 62 N 0.37 0.33 -4.60 0.54 3.72 0.36 -3.92 117.46 114.26 2oxq n PHE 62 Ca 0.11 0.10 -0.23 0.00 -0.05 0.00 0.00 57.45 57.38 2oxq n PHE 62 Cb 0.38 -0.67 -0.16 0.00 -0.94 0.00 0.00 39.48 38.09 2oxq n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2oxq s LYS 63 N -3.06 1.30 0.75 -1.08 3.01 -1.20 -4.94 119.74 114.52 2oxq s LYS 63 Ca 0.11 -0.45 -0.15 0.00 -1.01 0.00 0.00 55.97 54.47 2oxq s LYS 63 Cb 0.15 -1.18 0.05 0.00 -1.01 0.00 0.00 37.83 35.84 2oxq s LYS 63 CO 0.49 0.19 1.24 -1.25 0.51 0.00 0.00 175.35 176.53 2oxq s PRO 64 N 0.06 1.95 0.69 -1.68 0.04 -1.26 -4.29 135.00 130.51 2oxq s PRO 64 Ca -0.02 1.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 2oxq s PRO 64 Cb -0.09 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2oxq s PRO 64 CO 0.01 -2.01 1.09 -1.25 0.04 0.00 0.00 177.00 174.88 2oxq s PRO 65 N -3.85 2.73 -0.48 0.56 0.04 -1.26 -4.59 135.00 128.14 2oxq s PRO 65 Ca 0.77 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 2oxq s PRO 65 Cb -0.32 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.33 2oxq s PRO 65 CO 0.47 -1.28 0.47 0.21 0.04 0.00 0.00 177.00 176.91 2oxq s LYS 66 N -4.46 3.03 -0.12 4.56 2.20 0.31 -4.94 119.74 120.33 2oxq s LYS 66 Ca 0.63 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 2oxq s LYS 66 Cb -0.18 -4.12 -0.01 0.00 -1.51 0.00 0.00 37.83 32.01 2oxq s LYS 66 CO 0.47 -1.09 -0.15 0.08 -0.36 0.00 0.00 175.35 174.30 2oxq s VAL 67 N 1.99 2.89 -0.02 4.02 1.01 -1.26 -0.55 120.40 128.48 2oxq s VAL 67 Ca 0.08 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2oxq s VAL 67 Cb -0.22 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 33.99 2oxq s VAL 67 CO 0.09 0.54 0.27 0.00 0.00 0.00 0.00 175.10 175.99 2oxq s ALA 68 N 0.25 -0.67 0.35 5.51 0.00 -0.80 -4.32 121.76 122.08 2oxq s ALA 68 Ca -0.10 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 2oxq s ALA 68 Cb -0.16 0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.89 2oxq s ALA 68 CO 0.06 -0.24 0.99 -0.06 0.00 0.00 0.00 175.76 176.52 2oxq s PHE 69 N -1.19 3.51 -0.06 0.00 0.08 0.11 -0.45 117.98 119.98 2oxq s PHE 69 Ca -0.12 1.72 0.09 0.00 0.12 0.00 0.00 56.93 58.73 2oxq s PHE 69 Cb -0.05 -3.02 -0.13 0.00 -0.57 0.00 0.00 43.02 39.24 2oxq s PHE 69 CO 0.03 -0.17 0.11 0.25 -0.10 0.00 0.00 175.22 175.35 2oxq n THR 70 N 0.30 0.38 -2.66 0.64 -2.24 0.84 -3.98 114.28 107.56 2oxq n THR 70 Ca 0.03 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 2oxq n THR 70 Cb 0.50 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 2oxq n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2oxq s THR 71 N -2.43 4.29 0.44 4.28 2.01 -1.16 -4.99 115.64 118.09 2oxq s THR 71 Ca -0.04 1.93 -0.24 0.00 0.31 0.00 0.00 61.69 63.64 2oxq s THR 71 Cb 0.04 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 2oxq s THR 71 CO 0.41 0.30 1.22 -0.75 -0.69 0.00 0.00 174.62 175.11 2oxq s LYS 72 N -0.10 3.82 -0.19 4.92 2.20 -1.26 -4.90 119.74 124.22 2oxq s LYS 72 Ca 0.48 1.94 -0.13 0.00 -0.36 0.00 0.00 55.97 57.90 2oxq s LYS 72 Cb -0.25 -2.55 0.06 0.00 -1.51 0.00 0.00 37.83 33.58 2oxq s LYS 72 CO 0.31 -0.55 0.48 -1.50 -0.36 0.00 0.00 175.35 173.73 2oxq s ILE 73 N -1.41 -0.01 -0.77 5.43 2.07 -1.26 -4.70 121.20 120.54 2oxq s ILE 73 Ca 0.61 0.05 -0.23 0.00 -1.41 0.00 0.00 60.65 59.67 2oxq s ILE 73 Cb -0.33 -0.70 0.07 0.00 0.13 0.00 0.00 42.46 41.63 2oxq s ILE 73 CO 0.41 0.02 1.12 -0.47 -1.91 0.00 0.00 174.94 174.10 2oxq s TYR 74 N 1.04 2.67 -0.11 3.50 5.04 -1.26 -4.91 117.35 123.31 2oxq s TYR 74 Ca -0.06 -0.66 -0.14 0.00 -2.44 0.00 0.00 57.07 53.77 2oxq s TYR 74 Cb -0.06 -4.41 0.04 0.00 0.35 0.00 0.00 41.96 37.88 2oxq s TYR 74 CO -0.09 -1.74 0.37 -1.58 -1.34 0.00 0.00 175.55 171.18 2oxq s HIS 75 N 4.22 -0.38 0.24 4.97 2.46 -1.26 -4.73 115.29 120.82 2oxq s HIS 75 Ca 0.30 0.87 0.33 0.00 0.47 0.00 0.00 55.06 57.03 2oxq s HIS 75 Cb -0.11 0.14 1.49 0.00 -0.13 0.00 0.00 32.58 33.97 2oxq s HIS 75 CO 0.05 -0.25 2.04 -1.00 -2.47 0.00 0.00 174.74 173.10 2oxq h PRO 76 N 5.14 0.00 -0.40 2.88 0.13 -1.88 -3.03 132.00 134.84 2oxq h PRO 76 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2oxq h PRO 76 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2oxq h PRO 76 CO 0.30 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 2oxq n ASN 77 N -3.20 3.43 -3.84 1.44 5.03 -1.26 -0.71 115.26 116.15 2oxq n ASN 77 Ca -0.00 -1.99 -0.27 0.00 0.87 0.00 0.00 54.58 53.19 2oxq n ASN 77 Cb 0.28 -0.26 -0.17 0.00 -1.02 0.00 0.00 39.78 38.61 2oxq n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2oxq s ILE 78 N -1.49 0.82 0.89 2.41 1.01 -1.15 -0.95 121.20 122.75 2oxq s ILE 78 Ca 0.39 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 2oxq s ILE 78 Cb 0.23 -1.02 0.16 0.00 0.01 0.00 0.00 42.46 41.84 2oxq s ILE 78 CO 0.32 0.16 1.25 0.54 0.00 0.00 0.00 174.94 177.20 2oxq s ASN 79 N 1.77 3.64 0.00 3.58 4.22 -1.08 -4.44 114.94 122.63 2oxq s ASN 79 Ca 0.02 0.37 0.06 0.00 -2.14 0.00 0.00 52.86 51.17 2oxq s ASN 79 Cb -0.14 -0.58 0.31 0.00 1.28 0.00 0.00 41.25 42.12 2oxq s ASN 79 CO -0.07 -2.40 0.98 -1.54 -2.04 0.00 0.00 177.10 172.02 2oxq n SER 80 N -3.55 0.00 -1.15 3.54 3.41 -1.26 -1.03 113.62 113.58 2oxq n SER 80 Ca 0.13 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 2oxq n SER 80 Cb 0.60 -0.22 0.25 0.00 -0.26 0.00 0.00 64.21 64.58 2oxq n SER 80 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2oxq n ASN 81 N -1.22 3.42 -0.38 4.04 5.03 -1.26 -4.92 115.26 119.98 2oxq n ASN 81 Ca 0.03 -1.98 -0.05 0.00 0.87 0.00 0.00 54.58 53.45 2oxq n ASN 81 Cb 0.04 -0.29 -0.02 0.00 -1.02 0.00 0.00 39.78 38.48 2oxq n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2oxq n GLY 82 N 1.51 0.75 3.73 7.41 0.00 -0.20 -4.69 105.19 113.70 2oxq n GLY 82 Ca 0.20 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2oxq n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oxq s SER 83 N -2.72 7.43 -0.19 1.61 0.01 -1.25 0.10 113.70 118.68 2oxq s SER 83 Ca 0.00 1.85 -0.05 0.00 1.31 0.00 0.00 55.95 59.06 2oxq s SER 83 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2oxq s SER 83 CO 0.00 -0.13 -0.01 -0.63 0.41 0.00 0.00 173.24 172.88 2oxq s ILE 84 N 0.08 3.89 -1.30 1.44 1.01 -1.26 -2.63 121.20 122.44 2oxq s ILE 84 Ca 0.48 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.65 2oxq s ILE 84 Cb -0.25 -2.75 0.11 0.00 0.01 0.00 0.00 42.46 39.59 2oxq s ILE 84 CO 0.31 0.44 1.77 0.00 0.00 0.00 0.00 174.94 177.45 2oxq s LEU 86 N 2.21 3.78 0.05 0.00 1.43 -1.26 -5.01 118.68 119.88 2oxq s LEU 86 Ca 0.47 -1.44 -0.31 0.00 -1.03 0.00 0.00 54.13 51.82 2oxq s LEU 86 Cb 0.05 -1.62 -0.16 0.00 0.03 0.00 0.00 46.19 44.49 2oxq s LEU 86 CO 0.01 -0.24 0.76 0.47 0.23 0.00 0.00 176.35 177.58 2oxq n ASP 87 N 4.49 -0.32 0.00 2.29 8.00 -1.26 0.67 116.55 130.42 2oxq n ASP 87 Ca -0.12 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.35 2oxq n ASP 87 Cb 0.42 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2oxq n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oxq n ILE 88 N 0.89 0.00 0.12 0.53 0.13 -1.26 -4.73 119.36 115.04 2oxq n ILE 88 Ca 0.16 0.00 0.06 0.00 -1.10 0.00 0.00 62.75 61.88 2oxq n ILE 88 Cb 0.11 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 38.82 2oxq n ILE 88 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2oxq n LEU 89 N 0.00 0.13 0.00 9.51 4.77 0.21 -4.38 117.00 127.24 2oxq n LEU 89 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2oxq n LEU 89 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2oxq n LEU 89 CO 0.00 0.03 0.00 -1.14 -1.33 0.00 0.00 177.39 174.95 2oxq n ARG 90 N -1.80 0.00 0.27 3.23 3.00 -0.65 -4.80 116.66 115.91 2oxq n ARG 90 Ca -0.01 0.00 0.18 0.00 -0.00 0.00 0.00 57.85 58.01 2oxq n ARG 90 Cb 0.30 0.00 0.93 0.00 0.00 0.00 0.00 32.46 33.69 2oxq n ARG 90 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2oxq h SER 91 N 0.00 0.00 -0.68 6.15 4.64 -1.95 -2.87 113.55 118.83 2oxq h SER 91 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2oxq h SER 91 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2oxq h SER 91 CO 0.00 0.00 0.25 0.00 -0.87 0.00 0.00 176.83 176.21 2oxq n GLN 92 N -3.56 3.36 -2.31 4.77 1.13 -1.26 -4.93 117.38 114.59 2oxq n GLN 92 Ca -0.01 -3.08 -0.32 0.00 -1.94 0.00 0.00 57.00 51.65 2oxq n GLN 92 Cb 0.22 -2.15 -0.02 0.00 0.11 0.00 0.00 30.24 28.41 2oxq n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2oxq s TRP 93 N -3.04 3.27 -0.06 1.08 -0.11 -1.09 -4.00 118.94 115.00 2oxq s TRP 93 Ca 0.53 1.49 -0.17 0.00 1.22 0.00 0.00 56.10 59.17 2oxq s TRP 93 Cb 0.43 -2.88 0.04 0.00 -1.50 0.00 0.00 33.47 29.56 2oxq s TRP 93 CO 0.12 -0.62 0.40 0.45 -4.62 0.00 0.00 176.95 172.67 2oxq s SER 94 N -2.89 -0.34 0.11 5.86 0.15 -1.26 -5.02 113.70 110.30 2oxq s SER 94 Ca 0.61 0.41 0.16 0.00 0.70 0.00 0.00 55.95 57.84 2oxq s SER 94 Cb -0.12 0.51 0.71 0.00 -1.71 0.00 0.00 66.02 65.42 2oxq s SER 94 CO 0.32 -0.38 1.51 -2.65 1.20 0.00 0.00 173.24 173.24 2oxq n PRO 95 N 1.69 0.07 0.18 5.44 -0.02 -1.25 -1.36 135.00 139.75 2oxq n PRO 95 Ca -0.19 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2oxq n PRO 95 Cb 0.56 -1.66 0.20 0.00 -0.02 0.00 0.00 33.50 32.59 2oxq n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oxq h ALA 96 N 2.33 0.93 -2.48 3.55 0.00 -1.95 -3.46 119.26 118.18 2oxq h ALA 96 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 2oxq h ALA 96 Cb 0.24 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.11 2oxq h ALA 96 CO 0.00 0.00 0.41 -0.51 0.00 0.00 0.00 179.25 179.15 2oxq s LEU 97 N -5.72 2.89 0.22 0.00 1.43 -0.47 -5.09 118.68 111.95 2oxq s LEU 97 Ca 0.07 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2oxq s LEU 97 Cb 0.07 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2oxq s LEU 97 CO 0.67 -1.36 0.03 0.42 0.23 0.00 0.00 176.35 176.35 2oxq s THR 98 N -3.36 0.78 0.20 5.49 -4.23 -1.26 -4.96 115.64 108.29 2oxq s THR 98 Ca 0.58 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 2oxq s THR 98 Cb -0.11 -2.38 0.14 0.00 1.34 0.00 0.00 72.50 71.49 2oxq s THR 98 CO 0.52 -0.26 1.86 0.58 -0.54 0.00 0.00 174.62 176.77 2oxq h VAL 99 N 2.50 1.20 -0.35 2.29 2.07 -1.98 0.45 116.25 122.43 2oxq h VAL 99 Ca -0.38 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 66.83 2oxq h VAL 99 Cb 1.22 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2oxq h VAL 99 CO 0.63 0.20 -0.18 -1.28 0.02 0.00 0.00 177.57 176.96 2oxq h SER 100 N 0.98 -0.60 -0.45 0.57 0.87 -1.96 0.40 113.55 113.35 2oxq h SER 100 Ca 0.26 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.99 2oxq h SER 100 Cb -0.08 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2oxq h SER 100 CO -0.05 -0.21 0.24 0.11 -0.53 0.00 0.00 176.83 176.38 2oxq h LYS 101 N -0.12 0.46 -0.69 2.24 1.79 -1.77 -1.45 116.57 117.03 2oxq h LYS 101 Ca 0.18 -0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.69 2oxq h LYS 101 Cb 0.40 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.88 2oxq h LYS 101 CO -0.43 0.31 0.38 0.28 -1.08 0.00 0.00 179.45 178.91 2oxq h VAL 102 N 0.48 0.95 -0.91 0.50 2.07 0.11 0.71 116.25 120.16 2oxq h VAL 102 Ca 0.19 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2oxq h VAL 102 Cb 0.07 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2oxq h VAL 102 CO -0.12 0.13 0.55 -0.07 0.02 0.00 0.00 177.57 178.08 2oxq h LEU 103 N 0.69 1.08 -0.51 2.57 3.38 0.62 0.03 115.31 123.16 2oxq h LEU 103 Ca 0.32 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 2oxq h LEU 103 Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2oxq h LEU 103 CO -0.20 0.82 -0.11 -0.07 0.09 0.00 0.00 178.44 178.97 2oxq h LEU 104 N 1.25 0.98 -0.90 1.67 3.38 -0.33 -1.78 115.31 119.57 2oxq h LEU 104 Ca 0.33 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2oxq h LEU 104 Cb -0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.36 2oxq h LEU 104 CO -0.06 1.11 0.58 -1.28 0.09 0.00 0.00 178.44 178.88 2oxq h SER 105 N 0.83 0.98 -0.46 -0.43 0.87 -0.16 0.80 113.55 115.98 2oxq h SER 105 Ca 0.13 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 2oxq h SER 105 Cb 0.67 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2oxq h SER 105 CO 0.05 0.68 -0.06 0.40 -0.53 0.00 0.00 176.83 177.36 2oxq h ILE 106 N 1.14 1.26 -0.56 2.23 2.04 -0.74 -0.45 117.51 122.44 2oxq h ILE 106 Ca 0.36 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 2oxq h ILE 106 Cb -0.01 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2oxq h ILE 106 CO -0.11 0.41 0.14 0.00 0.00 0.00 0.00 178.15 178.58 2oxq h SER 108 N 0.79 0.30 -0.41 0.00 0.87 -0.54 -1.41 113.55 113.15 2oxq h SER 108 Ca 0.17 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2oxq h SER 108 Cb 0.34 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2oxq h SER 108 CO 0.00 0.21 0.25 0.25 -0.53 0.00 0.00 176.83 177.02 2oxq h LEU 109 N 0.42 0.49 0.06 2.23 5.85 -0.52 0.60 115.31 124.45 2oxq h LEU 109 Ca 0.19 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2oxq h LEU 109 Cb 0.11 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2oxq h LEU 109 CO -0.14 0.38 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.24 2oxq h LEU 110 N 0.57 -0.06 -0.75 2.25 3.38 -0.28 -2.70 115.31 117.71 2oxq h LEU 110 Ca 0.15 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2oxq h LEU 110 Cb -0.02 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2oxq h LEU 110 CO -0.03 0.23 0.40 0.00 0.09 0.00 0.00 178.44 179.13 2oxq s ASP 112 N -5.55 3.55 1.04 0.00 1.01 0.14 -4.83 116.67 112.02 2oxq s ASP 112 Ca -0.13 -2.02 -0.11 0.00 0.71 0.00 0.00 52.55 51.00 2oxq s ASP 112 Cb 0.18 -0.70 0.22 0.00 1.01 0.00 0.00 42.92 43.63 2oxq s ASP 112 CO 0.77 -0.35 1.09 -2.65 0.21 0.00 0.00 175.17 174.24 2oxq n PRO 113 N 4.31 -1.44 -3.80 8.23 -0.02 -1.03 -4.50 135.00 136.75 2oxq n PRO 113 Ca 0.04 -0.37 -0.28 0.00 -2.02 0.00 0.00 63.50 60.87 2oxq n PRO 113 Cb 0.38 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 2oxq n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2oxq s ASN 114 N -2.53 4.05 0.00 2.55 2.47 -1.26 -4.98 114.94 115.24 2oxq s ASN 114 Ca 0.68 -3.39 0.03 0.00 0.42 0.00 0.00 52.86 50.59 2oxq s ASN 114 Cb -0.24 -1.36 0.13 0.00 -1.45 0.00 0.00 41.25 38.32 2oxq s ASN 114 CO 0.61 -0.15 0.92 -0.81 -3.72 0.00 0.00 177.10 173.96 2oxq n PRO 115 N 2.56 0.03 0.04 0.43 -0.04 -1.26 -2.41 135.00 134.35 2oxq n PRO 115 Ca 0.17 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2oxq n PRO 115 Cb 0.36 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2oxq n PRO 115 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2oxq n ASP 116 N -1.32 0.53 -3.20 3.54 8.00 -1.26 -4.24 116.55 118.60 2oxq n ASP 116 Ca 0.01 -0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.23 2oxq n ASP 116 Cb 0.02 1.02 -0.06 0.00 -0.02 0.00 0.00 41.12 42.08 2oxq n ASP 116 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2oxq n ASP 117 N -2.22 2.88 -4.40 -2.24 2.03 -1.01 -5.10 116.55 106.49 2oxq n ASP 117 Ca -0.00 -3.31 -0.28 0.00 0.52 0.00 0.00 54.79 51.72 2oxq n ASP 117 Cb 0.50 -0.62 0.15 0.00 -0.72 0.00 0.00 41.12 40.42 2oxq n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2oxq s PRO 118 N -2.54 1.14 0.00 -0.67 0.04 -1.25 -4.81 135.00 126.91 2oxq s PRO 118 Ca 0.42 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2oxq s PRO 118 Cb 0.22 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2oxq s PRO 118 CO -0.08 -1.99 0.08 1.28 0.04 0.00 0.00 177.00 176.33 2oxq n LEU 119 N -3.41 0.16 -3.40 -3.56 4.77 0.11 -4.88 117.00 106.80 2oxq n LEU 119 Ca 0.14 -0.30 -0.27 0.00 -0.03 0.00 0.00 56.01 55.56 2oxq n LEU 119 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2oxq n LEU 119 CO 0.46 0.04 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.57 2oxq s VAL 120 N -0.28 0.20 0.25 4.08 1.01 -1.09 -4.68 120.40 119.88 2oxq s VAL 120 Ca 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 61.98 59.69 2oxq s VAL 120 Cb 0.00 -1.14 0.33 0.00 0.00 0.00 0.00 36.38 35.57 2oxq s VAL 120 CO 0.00 -1.09 1.60 -0.65 0.00 0.00 0.00 175.10 174.96 2oxq h PRO 121 N 6.16 0.03 -0.72 2.72 0.11 -1.89 -0.98 132.00 137.43 2oxq h PRO 121 Ca 0.18 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.41 2oxq h PRO 121 Cb 0.94 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.96 2oxq h PRO 121 CO 0.31 0.02 0.31 0.22 -0.21 0.00 0.00 178.00 178.65 2oxq h ASP 122 N 0.03 0.33 -0.19 -2.05 3.58 -1.97 0.43 116.42 116.58 2oxq h ASP 122 Ca 0.41 0.09 -0.20 0.00 0.42 0.00 0.00 57.03 57.76 2oxq h ASP 122 Cb 0.69 0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.80 2oxq h ASP 122 CO -0.79 0.16 -0.65 0.40 -2.88 0.00 0.00 179.24 175.48 2oxq h ILE 123 N 0.49 1.29 -0.98 2.25 2.04 -1.59 -2.50 117.51 118.51 2oxq h ILE 123 Ca 0.38 -1.86 0.15 0.00 1.00 0.00 0.00 64.86 64.53 2oxq h ILE 123 Cb 0.51 1.90 -0.09 0.00 -0.74 0.00 0.00 36.82 38.39 2oxq h ILE 123 CO -0.34 0.59 0.60 0.00 0.00 0.00 0.00 178.15 178.99 2oxq h ALA 124 N 0.58 1.53 0.71 1.87 0.00 -0.42 0.18 119.26 123.72 2oxq h ALA 124 Ca -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2oxq h ALA 124 Cb 1.28 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2oxq h ALA 124 CO 0.14 0.09 -0.34 1.25 0.00 0.00 0.00 179.25 180.39 2oxq h HIS 125 N 0.86 -0.88 -0.83 0.00 -0.00 -0.78 -1.69 115.15 111.83 2oxq h HIS 125 Ca 0.52 -0.02 0.20 0.00 -0.00 0.00 0.00 60.37 61.07 2oxq h HIS 125 Cb 0.65 0.29 -0.13 0.00 -0.00 0.00 0.00 27.41 28.22 2oxq h HIS 125 CO -0.02 -0.55 0.19 0.82 -0.00 0.00 0.00 177.93 178.38 2oxq h ILE 126 N -1.17 0.38 0.01 6.26 1.08 -1.00 0.39 117.51 123.46 2oxq h ILE 126 Ca -0.10 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.32 2oxq h ILE 126 Cb 0.73 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 2oxq h ILE 126 CO 0.16 0.04 -0.20 0.22 -0.69 0.00 0.00 178.15 177.68 2oxq h TYR 127 N 0.22 -0.54 -0.22 1.37 3.20 -0.56 -0.31 116.97 120.14 2oxq h TYR 127 Ca 0.49 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 62.21 2oxq h TYR 127 Cb 0.94 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2oxq h TYR 127 CO -0.28 -0.29 -0.56 0.87 -1.64 0.00 0.00 178.16 176.26 2oxq h LYS 128 N -0.33 0.67 0.00 1.82 1.57 -0.15 -3.32 116.57 116.82 2oxq h LYS 128 Ca 0.06 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2oxq h LYS 128 Cb 0.40 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2oxq h LYS 128 CO -0.18 1.05 0.00 -1.13 -0.57 0.00 0.00 179.45 178.61 2oxq n SER 129 N -3.97 0.00 -4.47 0.86 3.41 0.12 -4.70 113.62 104.87 2oxq n SER 129 Ca -0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.13 2oxq n SER 129 Cb 0.62 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 2oxq n SER 129 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2oxq s ASP 130 N -1.00 6.93 0.21 4.04 -1.08 -0.14 -4.88 116.67 120.75 2oxq s ASP 130 Ca 0.00 -2.69 -0.11 0.00 -0.52 0.00 0.00 52.55 49.24 2oxq s ASP 130 Cb 0.00 -2.41 0.29 0.00 -1.46 0.00 0.00 42.92 39.34 2oxq s ASP 130 CO 0.00 -0.86 1.68 0.50 0.52 0.00 0.00 175.17 177.00 2oxq h LYS 131 N 7.68 0.16 -0.05 4.34 1.63 -1.66 -2.20 116.57 126.47 2oxq h LYS 131 Ca 0.28 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2oxq h LYS 131 Cb 0.92 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 2oxq h LYS 131 CO 1.22 0.11 -0.05 0.93 -3.45 0.00 0.00 179.45 178.20 2oxq h GLU 132 N 0.16 -0.07 -0.91 1.90 5.08 -1.89 -1.55 114.58 117.31 2oxq h GLU 132 Ca 0.31 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.84 2oxq h GLU 132 Cb 0.50 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 2oxq h GLU 132 CO -0.47 -0.04 0.58 -0.22 -1.00 0.00 0.00 179.01 177.86 2oxq h LYS 133 N -0.07 0.62 0.23 2.33 3.64 -1.78 0.13 116.57 121.68 2oxq h LYS 133 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2oxq h LYS 133 Cb 0.12 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2oxq h LYS 133 CO -0.09 0.41 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.47 2oxq h TYR 134 N 0.64 -0.29 -0.82 1.91 3.20 -0.73 -2.13 116.97 118.75 2oxq h TYR 134 Ca 0.47 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.33 2oxq h TYR 134 Cb 0.84 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 2oxq h TYR 134 CO -0.00 -0.08 0.52 -0.91 -1.64 0.00 0.00 178.16 176.05 2oxq h ASN 135 N -0.45 0.96 0.42 -2.11 2.35 -0.30 -1.28 115.58 115.17 2oxq h ASN 135 Ca -0.03 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2oxq h ASN 135 Cb 0.34 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2oxq h ASN 135 CO 0.05 0.71 -0.21 -0.09 -1.65 0.00 0.00 177.43 176.25 2oxq h ARG 136 N 1.12 -0.55 -0.67 0.81 2.43 -0.90 0.91 114.38 117.53 2oxq h ARG 136 Ca 0.30 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2oxq h ARG 136 Cb -0.09 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2oxq h ARG 136 CO -0.06 -0.37 0.38 -0.07 -1.51 0.00 0.00 179.97 178.34 2oxq h LEU 137 N -0.57 0.82 -0.17 3.80 3.38 -1.22 0.19 115.31 121.54 2oxq h LEU 137 Ca -0.06 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2oxq h LEU 137 Cb 0.44 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2oxq h LEU 137 CO 0.09 0.67 0.03 0.00 0.09 0.00 0.00 178.44 179.31 2oxq h ALA 138 N 1.19 0.16 -0.09 1.53 0.00 -1.09 0.45 119.26 121.41 2oxq h ALA 138 Ca 0.24 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2oxq h ALA 138 Cb 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2oxq h ALA 138 CO -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 179.25 178.73 2oxq h ARG 139 N 0.09 -0.07 -0.43 0.00 3.08 -0.33 0.46 114.38 117.17 2oxq h ARG 139 Ca 0.07 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.20 2oxq h ARG 139 Cb 0.07 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 2oxq h ARG 139 CO -0.11 -0.05 0.09 0.93 -1.07 0.00 0.00 179.97 179.77 2oxq h GLU 140 N -0.08 0.22 -0.04 0.04 5.08 -0.09 -0.72 114.58 118.99 2oxq h GLU 140 Ca 0.06 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2oxq h GLU 140 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2oxq h GLU 140 CO -0.14 0.14 -0.38 -1.49 -1.00 0.00 0.00 179.01 176.15 2oxq h TRP 141 N 0.22 0.09 -0.16 4.33 4.06 0.17 0.23 115.95 124.89 2oxq h TRP 141 Ca 0.21 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.10 2oxq h TRP 141 Cb 0.25 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 2oxq h TRP 141 CO -0.20 0.45 -0.04 1.15 -3.56 0.00 0.00 178.44 176.23 2oxq h THR 142 N 0.06 1.29 0.07 1.49 2.02 -0.15 0.99 112.91 118.69 2oxq h THR 142 Ca 0.01 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2oxq h THR 142 Cb 0.71 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2oxq h THR 142 CO 0.05 0.30 -0.08 1.56 0.37 0.00 0.00 175.52 177.73 2oxq h GLN 143 N 0.01 -0.16 -0.51 6.66 4.20 -0.87 0.75 115.11 125.18 2oxq h GLN 143 Ca 0.04 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 2oxq h GLN 143 Cb 0.48 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2oxq h GLN 143 CO 0.02 -0.11 0.01 -0.22 -0.67 0.00 0.00 178.83 177.86 2oxq h LYS 144 N -0.17 0.90 0.00 1.46 3.64 -0.92 -3.30 116.57 118.19 2oxq h LYS 144 Ca 0.01 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2oxq h LYS 144 Cb 0.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2oxq h LYS 144 CO -0.03 0.93 -0.88 0.66 -2.27 0.00 0.00 179.45 177.86 2oxq n TYR 145 N -4.31 0.00 -1.50 1.91 4.01 0.34 -4.71 117.16 112.90 2oxq n TYR 145 Ca 0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.82 2oxq n TYR 145 Cb 0.32 -0.10 0.12 0.00 -0.31 0.00 0.00 39.34 39.36 2oxq n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2oxq n ALA 146 N -1.49 2.51 -0.53 -0.72 0.00 0.26 -4.65 120.51 115.88 2oxq n ALA 146 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.03 2oxq n ALA 146 Cb 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2oxq n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17