#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbw s ILE 6 N 0.00 4.85 0.55 5.09 2.07 -1.26 -4.90 121.20 127.60 2gbw s ILE 6 Ca 0.00 1.57 -0.22 0.00 -1.41 0.00 0.00 60.65 60.60 2gbw s ILE 6 Cb 0.00 -4.09 -0.05 0.00 0.13 0.00 0.00 42.46 38.45 2gbw s ILE 6 CO 0.00 0.32 1.35 -2.84 -1.91 0.00 0.00 174.94 171.86 2gbw s PRO 7 N 0.27 3.12 0.81 3.50 0.02 -1.26 -1.79 135.00 139.68 2gbw s PRO 7 Ca 0.39 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.51 2gbw s PRO 7 Cb -0.19 -2.24 0.08 0.00 0.02 0.00 0.00 34.50 32.17 2gbw s PRO 7 CO 0.21 -1.20 1.10 0.14 -0.33 0.00 0.00 177.00 176.92 2gbw s VAL 8 N -1.31 3.05 0.75 3.83 -7.23 -0.54 -4.78 120.40 114.17 2gbw s VAL 8 Ca 0.72 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 61.11 2gbw s VAL 8 Cb -0.40 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 33.83 2gbw s VAL 8 CO 0.47 -0.45 1.10 0.42 -0.31 0.00 0.00 175.10 176.33 2gbw s THR 9 N -2.87 3.22 0.34 5.32 -4.23 -1.26 -4.79 115.64 111.37 2gbw s THR 9 Ca 0.62 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.63 2gbw s THR 9 Cb -0.18 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.03 2gbw s THR 9 CO 0.57 -0.47 1.91 -0.65 -0.54 0.00 0.00 174.62 175.44 2gbw h PRO 10 N -0.81 0.82 -0.61 3.99 0.11 -1.98 0.85 132.00 134.36 2gbw h PRO 10 Ca -0.44 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2gbw h PRO 10 Cb 1.24 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2gbw h PRO 10 CO 0.52 0.54 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.40 2gbw h ASP 11 N 0.84 1.06 -0.51 -2.05 3.32 -2.00 -0.75 116.42 116.34 2gbw h ASP 11 Ca 0.38 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2gbw h ASP 11 Cb 0.38 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2gbw h ASP 11 CO -0.15 1.11 0.18 0.58 -1.72 0.00 0.00 179.24 179.23 2gbw h VAL 12 N 0.98 1.22 -0.38 -1.35 2.07 -1.83 -2.39 116.25 114.58 2gbw h VAL 12 Ca 0.17 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.03 2gbw h VAL 12 Cb 0.57 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2gbw h VAL 12 CO 0.03 0.27 -0.10 -0.74 0.02 0.00 0.00 177.57 177.06 2gbw h HIS 13 N 0.69 -0.21 -0.36 1.57 -0.00 -0.59 -1.03 115.15 115.21 2gbw h HIS 13 Ca 0.17 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.65 2gbw h HIS 13 Cb 0.25 0.15 -0.08 0.00 -0.00 0.00 0.00 27.41 27.73 2gbw h HIS 13 CO 0.01 -0.17 -0.16 -0.92 -0.00 0.00 0.00 177.93 176.69 2gbw h TYR 14 N -0.01 -0.40 -0.52 5.26 5.03 -0.96 -0.52 116.97 124.85 2gbw h TYR 14 Ca 0.18 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.45 2gbw h TYR 14 Cb 0.28 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 2gbw h TYR 14 CO -0.34 -0.24 0.00 -0.44 -1.32 0.00 0.00 178.16 175.82 2gbw h ASP 15 N -0.10 0.85 -0.18 -2.11 3.32 -0.80 -0.70 116.42 116.70 2gbw h ASP 15 Ca 0.18 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2gbw h ASP 15 Cb 0.38 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2gbw h ASP 15 CO -0.43 0.91 0.08 0.40 -1.72 0.00 0.00 179.24 178.49 2gbw h ILE 16 N 0.82 1.14 -0.53 0.35 2.04 -0.73 -1.29 117.51 119.30 2gbw h ILE 16 Ca 0.15 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2gbw h ILE 16 Cb 0.49 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2gbw h ILE 16 CO 0.02 0.13 0.31 -0.33 0.00 0.00 0.00 178.15 178.28 2gbw h GLU 17 N 0.16 0.60 -0.72 2.37 4.39 -0.76 -1.55 114.58 119.07 2gbw h GLU 17 Ca 0.06 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.78 2gbw h GLU 17 Cb 0.13 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 2gbw h GLU 17 CO -0.01 0.39 0.42 0.00 -1.16 0.00 0.00 179.01 178.65 2gbw h ALA 18 N 1.24 0.96 -0.31 3.43 0.00 -1.04 0.62 119.26 124.17 2gbw h ALA 18 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2gbw h ALA 18 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2gbw h ALA 18 CO -0.11 0.12 0.19 1.25 0.00 0.00 0.00 179.25 180.70 2gbw h HIS 19 N 0.77 0.41 -0.42 0.00 -0.00 -0.74 -1.74 115.15 113.42 2gbw h HIS 19 Ca 0.32 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.61 2gbw h HIS 19 Cb 0.17 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 2gbw h HIS 19 CO -0.06 0.30 -0.03 1.88 -0.00 0.00 0.00 177.93 180.02 2gbw h TYR 20 N 0.40 0.74 -0.83 5.26 0.05 -0.80 -0.90 116.97 120.89 2gbw h TYR 20 Ca 0.11 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 2gbw h TYR 20 Cb 0.01 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 2gbw h TYR 20 CO -0.04 0.71 0.36 0.00 -1.05 0.00 0.00 178.16 178.14 2gbw h ARG 21 N 0.65 1.21 -0.17 4.88 3.08 -0.63 -1.19 114.38 122.21 2gbw h ARG 21 Ca 0.13 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 2gbw h ARG 21 Cb 0.45 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2gbw h ARG 21 CO 0.02 0.96 -0.54 0.00 -1.07 0.00 0.00 179.97 179.34 2gbw h ALA 22 N 1.20 0.75 -0.34 0.04 0.00 -0.86 -1.57 119.26 118.49 2gbw h ALA 22 Ca 0.28 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2gbw h ALA 22 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2gbw h ALA 22 CO -0.03 0.69 0.18 1.49 0.00 0.00 0.00 179.25 181.58 2gbw h GLU 23 N 0.38 0.47 -0.89 0.00 4.81 -0.98 -1.58 114.58 116.78 2gbw h GLU 23 Ca 0.01 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2gbw h GLU 23 Cb 1.07 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 2gbw h GLU 23 CO 0.10 0.41 0.56 0.28 -0.73 0.00 0.00 179.01 179.62 2gbw h VAL 24 N 0.42 1.24 -0.71 0.32 2.07 -1.02 -1.74 116.25 116.83 2gbw h VAL 24 Ca 0.12 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2gbw h VAL 24 Cb 0.08 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 2gbw h VAL 24 CO -0.02 0.25 0.33 -0.09 0.02 0.00 0.00 177.57 178.06 2gbw h ARG 25 N 1.22 1.02 -0.34 1.57 2.43 -0.92 -0.61 114.38 118.75 2gbw h ARG 25 Ca 0.32 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2gbw h ARG 25 Cb -0.08 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 2gbw h ARG 25 CO -0.06 0.79 0.12 0.52 -1.51 0.00 0.00 179.97 179.82 2gbw h MET 26 N 1.01 0.53 -0.38 0.20 2.86 -0.65 -1.16 114.93 117.34 2gbw h MET 26 Ca 0.24 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2gbw h MET 26 Cb 0.12 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 2gbw h MET 26 CO -0.03 0.55 0.07 0.74 1.06 0.00 0.00 176.91 179.30 2gbw h PHE 27 N 0.40 0.11 0.00 -0.22 0.04 -1.02 0.16 116.94 116.41 2gbw h PHE 27 Ca 0.11 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 2gbw h PHE 27 Cb 0.23 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 2gbw h PHE 27 CO 0.00 0.01 -0.14 1.96 -0.60 0.00 0.00 178.31 179.54 2gbw h GLN 28 N 0.19 0.00 -0.33 1.51 4.20 -0.78 -2.73 115.11 117.17 2gbw h GLN 28 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2gbw h GLN 28 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2gbw h GLN 28 CO -0.25 0.14 0.00 0.25 -0.67 0.00 0.00 178.83 178.30 2gbw n THR 29 N -3.28 0.59 -1.11 -0.54 -2.24 -0.47 -4.88 114.28 102.35 2gbw n THR 29 Ca 0.00 -0.79 -0.04 0.00 -2.27 0.00 0.00 64.05 60.95 2gbw n THR 29 Cb 0.40 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 2gbw n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbw n GLY 30 N 1.04 0.67 2.53 3.38 0.00 -0.50 -4.93 105.19 107.37 2gbw n GLY 30 Ca 0.15 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2gbw n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gbw n GLN 31 N -2.59 4.19 0.04 1.61 6.02 -0.07 -4.69 117.38 121.88 2gbw n GLN 31 Ca -0.04 -3.21 -0.17 0.00 -0.01 0.00 0.00 57.00 53.57 2gbw n GLN 31 Cb 0.16 -2.74 -0.07 0.00 1.02 0.00 0.00 30.24 28.61 2gbw n GLN 31 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2gbw h TYR 32 N 4.94 0.88 -0.99 1.08 0.05 -1.92 -2.41 116.97 118.60 2gbw h TYR 32 Ca 0.67 -0.45 0.01 0.00 0.05 0.00 0.00 58.73 59.00 2gbw h TYR 32 Cb 0.37 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.95 2gbw h TYR 32 CO 1.59 1.28 0.64 0.00 -1.05 0.00 0.00 178.16 180.61 2gbw h ARG 33 N 0.37 1.31 -0.17 4.88 3.08 -1.95 -1.17 114.38 120.73 2gbw h ARG 33 Ca -0.09 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 2gbw h ARG 33 Cb 1.57 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2gbw h ARG 33 CO 0.18 0.88 -0.43 0.93 -1.07 0.00 0.00 179.97 180.46 2gbw h GLU 34 N 1.35 0.41 0.15 0.04 3.07 -1.94 -1.81 114.58 115.86 2gbw h GLU 34 Ca 0.36 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2gbw h GLU 34 Cb -0.13 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 2gbw h GLU 34 CO -0.07 0.77 -0.07 2.35 -1.40 0.00 0.00 179.01 180.59 2gbw h TRP 35 N 0.34 -0.19 -0.65 4.33 7.01 -0.96 -0.27 115.95 125.57 2gbw h TRP 35 Ca 0.03 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.07 2gbw h TRP 35 Cb 0.90 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.97 2gbw h TRP 35 CO 0.03 -0.04 0.36 1.25 -2.79 0.00 0.00 178.44 177.25 2gbw h LEU 36 N -0.29 0.55 0.10 0.65 5.85 -1.10 0.28 115.31 121.35 2gbw h LEU 36 Ca -0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2gbw h LEU 36 Cb 0.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2gbw h LEU 36 CO 0.03 0.36 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.84 2gbw h GLN 37 N 0.68 -0.13 0.00 1.25 4.15 -1.27 -3.23 115.11 116.56 2gbw h GLN 37 Ca 0.28 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.62 2gbw h GLN 37 Cb 0.15 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2gbw h GLN 37 CO -0.17 0.29 -1.23 0.78 -1.93 0.00 0.00 178.83 176.58 2gbw h GLY 38 N -0.61 0.00 0.00 2.39 0.00 -1.01 -3.41 103.07 100.44 2gbw h GLY 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2gbw h GLY 38 CO 0.02 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.59 2gbw n MET 39 N -2.81 4.62 -5.14 4.80 2.81 0.07 -4.82 117.12 116.66 2gbw n MET 39 Ca -0.06 -0.06 -0.32 0.00 -1.81 0.00 0.00 57.70 55.46 2gbw n MET 39 Cb 0.72 -0.47 -0.16 0.00 -0.71 0.00 0.00 33.22 32.59 2gbw n MET 39 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2gbw s VAL 40 N -0.68 2.29 0.45 2.03 1.01 -1.14 -1.36 120.40 123.01 2gbw s VAL 40 Ca 0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 2gbw s VAL 40 Cb 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.40 2gbw s VAL 40 CO 0.00 0.56 0.96 0.00 0.00 0.00 0.00 175.10 176.62 2gbw s ALA 41 N 0.14 3.04 -0.21 5.51 0.00 -0.02 -4.72 121.76 125.51 2gbw s ALA 41 Ca -0.11 0.35 0.28 0.00 0.00 0.00 0.00 51.96 52.48 2gbw s ALA 41 Cb -0.16 -3.14 1.19 0.00 0.00 0.00 0.00 23.12 21.01 2gbw s ALA 41 CO 0.06 0.03 1.84 0.93 0.00 0.00 0.00 175.76 178.62 2gbw h GLU 42 N 1.65 0.00 -0.63 0.00 5.08 -1.92 -1.76 114.58 117.00 2gbw h GLU 42 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2gbw h GLU 42 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2gbw h GLU 42 CO 0.61 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 2gbw n ASP 43 N -2.59 3.82 -4.56 1.42 5.75 -1.26 -4.37 116.55 114.76 2gbw n ASP 43 Ca 0.01 -2.36 -0.42 0.00 -0.01 0.00 0.00 54.79 52.01 2gbw n ASP 43 Cb 0.24 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 2gbw n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gbw n ILE 44 N 0.80 2.17 -4.28 2.12 0.13 -0.66 -4.87 119.36 114.77 2gbw n ILE 44 Ca 0.20 -0.50 -0.30 0.00 -1.10 0.00 0.00 62.75 61.05 2gbw n ILE 44 Cb 0.73 -0.93 -0.17 0.00 -0.84 0.00 0.00 39.64 38.43 2gbw n ILE 44 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 2gbw s HIS 45 N -1.26 2.18 -0.23 9.51 5.65 -0.92 -4.06 115.29 126.16 2gbw s HIS 45 Ca 0.62 -1.14 -0.01 0.00 0.25 0.00 0.00 55.06 54.78 2gbw s HIS 45 Cb -0.62 -1.57 0.02 0.00 -1.18 0.00 0.00 32.58 29.23 2gbw s HIS 45 CO 0.58 -0.59 -0.09 -0.47 -0.65 0.00 0.00 174.74 173.52 2gbw s TYR 46 N 1.20 3.00 -0.05 3.88 6.14 -0.49 -1.43 117.35 129.60 2gbw s TYR 46 Ca -0.01 -1.50 -0.01 0.00 0.64 0.00 0.00 57.07 56.19 2gbw s TYR 46 Cb -0.14 -2.03 0.03 0.00 0.42 0.00 0.00 41.96 40.24 2gbw s TYR 46 CO -0.06 -0.72 0.02 -0.46 0.64 0.00 0.00 175.55 174.97 2gbw s TRP 47 N 1.34 0.33 -0.45 4.97 -0.00 -0.03 -1.36 118.94 123.73 2gbw s TRP 47 Ca 0.02 0.04 0.03 0.00 -0.00 0.00 0.00 56.10 56.19 2gbw s TRP 47 Cb -0.16 -0.55 0.13 0.00 -0.00 0.00 0.00 33.47 32.89 2gbw s TRP 47 CO -0.06 -0.21 0.23 1.41 -0.00 0.00 0.00 176.95 178.32 2gbw s MET 48 N 1.72 1.45 0.71 5.86 -2.45 0.15 -1.03 119.30 125.71 2gbw s MET 48 Ca 0.00 -2.12 -0.14 0.00 -1.25 0.00 0.00 55.69 52.18 2gbw s MET 48 Cb -0.13 -2.61 0.03 0.00 1.25 0.00 0.00 34.83 33.37 2gbw s MET 48 CO -0.03 -1.13 1.15 -2.14 1.05 0.00 0.00 175.02 173.92 2gbw s PRO 49 N 0.26 2.40 -0.31 4.11 0.01 -1.26 -0.29 135.00 139.92 2gbw s PRO 49 Ca 0.17 1.53 -0.16 0.00 0.01 0.00 0.00 61.00 62.55 2gbw s PRO 49 Cb -0.24 -1.89 -0.02 0.00 0.01 0.00 0.00 34.50 32.36 2gbw s PRO 49 CO -0.01 -1.59 0.44 0.42 0.01 0.00 0.00 177.00 176.27 2gbw s ILE 50 N -2.25 5.10 -0.20 2.83 1.01 -1.09 -4.66 121.20 121.94 2gbw s ILE 50 Ca 0.70 0.40 -0.10 0.00 0.00 0.00 0.00 60.65 61.65 2gbw s ILE 50 Cb -0.24 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2gbw s ILE 50 CO 0.45 -0.04 0.13 -0.31 0.00 0.00 0.00 174.94 175.16 2gbw s TYR 51 N 2.20 3.37 0.36 3.97 1.51 -1.26 -4.86 117.35 122.64 2gbw s TYR 51 Ca 0.16 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.52 2gbw s TYR 51 Cb -0.16 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.50 2gbw s TYR 51 CO 0.11 0.23 0.54 -1.83 -1.11 0.00 0.00 175.55 173.50 2gbw s GLU 52 N 0.49 3.30 -0.25 -0.62 -1.05 -1.26 -4.93 118.70 114.38 2gbw s GLU 52 Ca 0.07 -0.55 -0.26 0.00 -0.15 0.00 0.00 54.97 54.08 2gbw s GLU 52 Cb -0.12 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 2gbw s GLU 52 CO -0.01 0.06 0.92 -0.65 0.95 0.00 0.00 175.26 176.53 2gbw s GLN 53 N -4.31 4.19 0.10 -4.83 -1.52 -1.26 -5.03 119.66 106.99 2gbw s GLN 53 Ca 0.42 1.07 0.07 0.00 -1.95 0.00 0.00 55.36 54.98 2gbw s GLN 53 Cb -0.10 -3.66 -0.03 0.00 -0.22 0.00 0.00 33.01 29.00 2gbw s GLN 53 CO 0.35 -0.59 -0.19 1.03 -0.25 0.00 0.00 175.29 175.63 2gbw s ARG 54 N 3.03 1.05 0.49 2.91 0.52 -1.26 -5.13 118.95 120.56 2gbw s ARG 54 Ca 0.39 -1.12 -0.24 0.00 -0.52 0.00 0.00 55.73 54.23 2gbw s ARG 54 Cb -0.15 -1.23 -0.07 0.00 0.52 0.00 0.00 34.95 34.02 2gbw s ARG 54 CO 0.08 0.28 1.39 1.28 0.02 0.00 0.00 175.30 178.35 2gbw n LEU 55 N 1.08 5.23 0.27 2.53 4.77 -1.26 -4.90 117.00 124.72 2gbw n LEU 55 Ca -0.20 1.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.94 2gbw n LEU 55 Cb 0.54 -1.59 0.71 0.00 -2.33 0.00 0.00 43.42 40.75 2gbw n LEU 55 CO 0.22 -0.36 1.08 0.74 -1.33 0.00 0.00 177.39 177.75 2gbw h THR 56 N 1.93 0.88 0.00 -5.08 2.02 -2.04 -1.02 112.91 109.60 2gbw h THR 56 Ca -0.51 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2gbw h THR 56 Cb 1.28 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2gbw h THR 56 CO 0.59 0.01 0.00 -2.11 0.37 0.00 0.00 175.52 174.38 2gbw n ARG 57 N -4.35 0.10 -2.27 6.66 1.85 -1.26 -4.75 116.66 112.64 2gbw n ARG 57 Ca -0.03 0.25 -0.42 0.00 -1.00 0.00 0.00 57.85 56.64 2gbw n ARG 57 Cb 0.09 -1.67 -0.03 0.00 -1.05 0.00 0.00 32.46 29.81 2gbw n ARG 57 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2gbw s ASP 58 N -3.64 6.86 0.00 2.89 -1.08 -0.39 -4.91 116.67 116.40 2gbw s ASP 58 Ca 0.08 1.95 0.21 0.00 -0.52 0.00 0.00 52.55 54.28 2gbw s ASP 58 Cb 0.12 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.56 2gbw s ASP 58 CO 0.41 -0.78 1.45 0.54 0.52 0.00 0.00 175.17 177.31 2gbw n ARG 59 N 6.29 2.34 -1.69 4.34 1.74 -1.26 -4.97 116.66 123.44 2gbw n ARG 59 Ca 0.14 -2.04 -0.37 0.00 -0.77 0.00 0.00 57.85 54.82 2gbw n ARG 59 Cb 0.44 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.47 2gbw n ARG 59 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2gbw n ARG 60 N 1.21 1.06 -2.19 5.56 1.74 -1.26 -4.95 116.66 117.83 2gbw n ARG 60 Ca 0.19 0.42 -0.33 0.00 -0.77 0.00 0.00 57.85 57.36 2gbw n ARG 60 Cb 0.53 -2.51 -0.00 0.00 -1.02 0.00 0.00 32.46 29.46 2gbw n ARG 60 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2gbw s PRO 61 N -3.36 3.49 0.68 5.56 0.04 -1.26 -5.03 135.00 135.13 2gbw s PRO 61 Ca 0.82 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 2gbw s PRO 61 Cb -0.38 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2gbw s PRO 61 CO 0.41 -0.67 0.65 -0.25 0.04 0.00 0.00 177.00 177.18 2gbw n ASP 62 N -1.77 -0.69 -4.70 6.66 9.92 -1.26 -4.95 116.55 119.75 2gbw n ASP 62 Ca 0.09 0.65 -0.42 0.00 -0.53 0.00 0.00 54.79 54.58 2gbw n ASP 62 Cb 0.53 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 2gbw n ASP 62 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2gbw n PRO 63 N -0.83 2.01 -4.17 -0.24 -0.02 -1.26 -5.03 135.00 125.46 2gbw n PRO 63 Ca 0.11 0.71 -0.26 0.00 -2.02 0.00 0.00 63.50 62.04 2gbw n PRO 63 Cb 0.49 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2gbw n PRO 63 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gbw s THR 64 N -1.16 2.08 -0.78 3.45 -4.23 -1.26 -5.02 115.64 108.73 2gbw s THR 64 Ca 0.58 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2gbw s THR 64 Cb -0.53 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 70.58 2gbw s THR 64 CO 0.60 0.00 1.21 -2.65 -0.54 0.00 0.00 174.62 173.24 2gbw n PRO 65 N -1.31 0.04 0.00 3.99 -0.02 -1.26 -1.58 135.00 134.86 2gbw n PRO 65 Ca -0.03 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 2gbw n PRO 65 Cb 0.65 -1.63 0.58 0.00 -0.02 0.00 0.00 33.50 33.08 2gbw n PRO 65 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gbw n ASP 66 N -1.71 0.40 -4.95 2.55 2.03 -1.26 -4.92 116.55 108.68 2gbw n ASP 66 Ca -0.00 -0.39 -0.20 0.00 0.52 0.00 0.00 54.79 54.71 2gbw n ASP 66 Cb 0.02 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2gbw n ASP 66 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2gbw s ASP 67 N -2.60 5.17 0.22 1.67 1.01 -0.61 -5.06 116.67 116.47 2gbw s ASP 67 Ca 0.25 -0.74 -0.32 0.00 0.71 0.00 0.00 52.55 52.45 2gbw s ASP 67 Cb 0.20 -0.29 -0.14 0.00 1.01 0.00 0.00 42.92 43.70 2gbw s ASP 67 CO 0.50 -0.88 1.40 0.00 0.21 0.00 0.00 175.17 176.41 2gbw n ALA 68 N -1.80 0.91 -3.24 5.23 0.00 -1.26 -4.89 120.51 115.46 2gbw n ALA 68 Ca 0.06 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 2gbw n ALA 68 Cb 0.61 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 2gbw n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbw s ALA 69 N 0.06 -0.82 0.15 0.00 0.00 -1.26 -2.68 121.76 117.20 2gbw s ALA 69 Ca 0.70 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 2gbw s ALA 69 Cb -0.68 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2gbw s ALA 69 CO 0.48 -0.21 1.56 0.82 0.00 0.00 0.00 175.76 178.41 2gbw h ILE 70 N 4.24 1.27 -4.23 0.00 2.04 -0.92 -3.42 117.51 116.48 2gbw h ILE 70 Ca -0.28 -1.29 -0.66 0.00 1.00 0.00 0.00 64.86 63.63 2gbw h ILE 70 Cb 1.18 1.10 -0.31 0.00 -0.74 0.00 0.00 36.82 38.06 2gbw h ILE 70 CO 0.34 0.45 -0.87 -0.31 0.00 0.00 0.00 178.15 177.76 2gbw s TYR 71 N -4.76 2.19 -0.50 1.37 1.51 -1.21 -4.95 117.35 111.00 2gbw s TYR 71 Ca -0.12 -0.54 0.07 0.00 -1.01 0.00 0.00 57.07 55.46 2gbw s TYR 71 Cb 0.12 -1.43 0.20 0.00 -0.11 0.00 0.00 41.96 40.74 2gbw s TYR 71 CO 0.85 -0.13 0.71 -1.71 -1.11 0.00 0.00 175.55 174.17 2gbw n ASN 72 N 2.77 -2.99 -4.18 2.29 2.85 -1.20 -0.67 115.26 114.12 2gbw n ASN 72 Ca -0.17 -2.93 -0.22 0.00 -0.11 0.00 0.00 54.58 51.16 2gbw n ASN 72 Cb 0.52 1.49 -0.13 0.00 1.24 0.00 0.00 39.78 42.89 2gbw n ASN 72 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2gbw s ASP 73 N 0.29 1.94 0.51 1.20 1.01 -0.47 -4.97 116.67 116.18 2gbw s ASP 73 Ca 0.31 -0.49 0.04 0.00 0.71 0.00 0.00 52.55 53.12 2gbw s ASP 73 Cb 0.05 -0.13 0.08 0.00 1.01 0.00 0.00 42.92 43.93 2gbw s ASP 73 CO -0.10 0.07 0.64 -0.90 0.21 0.00 0.00 175.17 175.09 2gbw n ASP 74 N 1.83 1.29 -0.23 0.27 5.68 -1.26 -1.39 116.55 122.74 2gbw n ASP 74 Ca -0.18 -1.99 -0.02 0.00 -0.50 0.00 0.00 54.79 52.11 2gbw n ASP 74 Cb 0.54 -0.37 0.09 0.00 -1.14 0.00 0.00 41.12 40.24 2gbw n ASP 74 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2gbw h PHE 75 N -0.19 0.66 -0.44 2.11 3.57 -1.76 -0.80 116.94 120.08 2gbw h PHE 75 Ca -0.21 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 2gbw h PHE 75 Cb 0.89 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2gbw h PHE 75 CO 0.00 0.31 0.05 0.78 -2.23 0.00 0.00 178.31 177.22 2gbw h GLY 76 N 0.66 0.73 1.17 2.40 0.00 -1.96 -0.89 103.07 105.19 2gbw h GLY 76 Ca 0.29 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 2gbw h GLY 76 CO -0.18 0.41 -0.35 0.83 0.00 0.00 0.00 176.54 177.25 2gbw h GLU 77 N 0.65 0.92 -0.46 4.80 5.08 -1.77 -1.97 114.58 121.83 2gbw h GLU 77 Ca 0.14 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2gbw h GLU 77 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2gbw h GLU 77 CO 0.01 1.11 0.23 -0.07 -1.00 0.00 0.00 179.01 179.29 2gbw h LEU 78 N 0.76 0.60 -0.66 1.33 3.38 -0.96 -0.50 115.31 119.25 2gbw h LEU 78 Ca 0.07 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2gbw h LEU 78 Cb 0.93 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2gbw h LEU 78 CO 0.09 0.55 0.28 0.11 0.09 0.00 0.00 178.44 179.56 2gbw h LYS 79 N 0.60 0.47 -0.40 1.13 1.57 -1.11 -0.03 116.57 118.79 2gbw h LYS 79 Ca 0.16 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 2gbw h LYS 79 Cb 0.11 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2gbw h LYS 79 CO -0.02 0.31 0.18 1.96 -0.57 0.00 0.00 179.45 181.31 2gbw h GLN 80 N 0.48 0.36 -0.55 3.15 4.20 -1.02 -2.73 115.11 119.00 2gbw h GLN 80 Ca 0.34 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.95 2gbw h GLN 80 Cb 0.40 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2gbw h GLN 80 CO -0.30 0.24 0.07 0.00 -0.67 0.00 0.00 178.83 178.16 2gbw h ARG 81 N 0.37 0.93 -0.76 1.46 3.08 -0.43 -3.09 114.38 115.95 2gbw h ARG 81 Ca 0.18 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.97 2gbw h ARG 81 Cb 0.11 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2gbw h ARG 81 CO -0.14 0.91 0.50 0.28 -1.07 0.00 0.00 179.97 180.45 2gbw h VAL 82 N 0.82 1.19 0.00 2.04 2.07 -0.87 -2.99 116.25 118.50 2gbw h VAL 82 Ca 0.16 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2gbw h VAL 82 Cb 0.45 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2gbw h VAL 82 CO 0.02 0.19 -0.07 -0.33 0.02 0.00 0.00 177.57 177.39 2gbw h GLU 83 N 1.01 0.00 -0.98 1.57 4.39 -1.40 -1.94 114.58 117.23 2gbw h GLU 83 Ca 0.28 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.00 2gbw h GLU 83 Cb -0.10 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 2gbw h GLU 83 CO -0.06 0.07 0.65 -0.09 -1.16 0.00 0.00 179.01 178.42 2gbw h ARG 84 N 0.00 1.25 -0.00 2.33 2.43 -1.64 -1.89 114.38 116.86 2gbw h ARG 84 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2gbw h ARG 84 Cb 0.28 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2gbw h ARG 84 CO 0.01 0.83 -0.14 1.28 -1.51 0.00 0.00 179.97 180.44 2gbw n LEU 85 N -4.41 0.46 -4.92 3.80 4.77 -0.74 -4.52 117.00 111.44 2gbw n LEU 85 Ca 0.12 0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 2gbw n LEU 85 Cb 0.06 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2gbw n LEU 85 CO 0.36 0.09 0.15 -0.31 -1.33 0.00 0.00 177.39 176.34 2gbw s TYR 86 N -2.56 3.48 0.00 -1.77 1.51 -0.71 -4.75 117.35 112.55 2gbw s TYR 86 Ca 0.26 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 2gbw s TYR 86 Cb 0.20 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 2gbw s TYR 86 CO 0.50 0.22 0.00 0.43 -1.11 0.00 0.00 175.55 175.59 2gbw n SER 87 N -1.04 -0.31 0.00 2.29 7.64 -1.26 -4.55 113.62 116.39 2gbw n SER 87 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2gbw n SER 87 Cb 0.54 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2gbw n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gbw n GLY 88 N -2.10 0.00 3.55 0.23 0.00 -1.26 -4.75 105.19 100.86 2gbw n GLY 88 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2gbw n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gbw s GLN 89 N -0.76 3.44 -0.28 1.61 -0.21 -1.26 -4.83 119.66 117.36 2gbw s GLN 89 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 55.36 54.49 2gbw s GLN 89 Cb 0.00 -4.90 0.00 0.00 1.00 0.00 0.00 33.01 29.11 2gbw s GLN 89 CO 0.00 -2.16 0.06 0.08 -2.12 0.00 0.00 175.29 171.15 2gbw s VAL 90 N 5.14 3.89 0.22 1.09 1.01 -1.26 -5.00 120.40 125.49 2gbw s VAL 90 Ca 0.41 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2gbw s VAL 90 Cb -0.03 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 2gbw s VAL 90 CO -0.01 0.14 1.51 -0.50 0.00 0.00 0.00 175.10 176.25 2gbw h TRP 91 N 8.21 0.37 -0.33 5.22 4.06 -1.98 -0.59 115.95 130.91 2gbw h TRP 91 Ca -0.33 -0.15 0.10 0.00 2.06 0.00 0.00 58.89 60.56 2gbw h TRP 91 Cb 1.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 2gbw h TRP 91 CO 0.61 0.85 0.26 0.52 -3.56 0.00 0.00 178.44 177.12 2gbw h MET 92 N 0.20 0.00 -0.58 0.49 2.86 -1.96 -1.64 114.93 114.30 2gbw h MET 92 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2gbw h MET 92 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2gbw h MET 92 CO 0.10 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.46 2gbw n GLU 93 N -4.28 4.79 -3.66 1.72 -0.58 -0.25 -4.74 120.64 113.64 2gbw n GLU 93 Ca 0.05 -3.15 -0.39 0.00 -0.42 0.00 0.00 57.16 53.26 2gbw n GLU 93 Cb 0.43 -2.23 -0.10 0.00 -0.57 0.00 0.00 31.44 28.96 2gbw n GLU 93 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2gbw s ASP 94 N -0.82 5.48 0.64 1.62 2.15 -0.62 -1.42 116.67 123.71 2gbw s ASP 94 Ca 0.54 -1.92 -0.07 0.00 0.43 0.00 0.00 52.55 51.53 2gbw s ASP 94 Cb 0.41 -1.92 0.02 0.00 -0.30 0.00 0.00 42.92 41.13 2gbw s ASP 94 CO 0.17 -0.61 0.97 -2.16 -0.17 0.00 0.00 175.17 173.37 2gbw s PRO 95 N 1.27 2.74 0.24 4.34 0.04 -1.26 -5.01 135.00 137.36 2gbw s PRO 95 Ca 0.06 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 2gbw s PRO 95 Cb -0.24 -2.19 -0.15 0.00 0.04 0.00 0.00 34.50 31.96 2gbw s PRO 95 CO -0.02 -0.90 1.08 -2.30 0.04 0.00 0.00 177.00 174.90 2gbw n PRO 96 N -2.76 1.30 -1.56 0.56 -0.02 -0.50 -4.95 135.00 127.07 2gbw n PRO 96 Ca 0.06 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 2gbw n PRO 96 Cb 0.58 -1.88 0.07 0.00 -0.02 0.00 0.00 33.50 32.25 2gbw n PRO 96 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2gbw s SER 97 N -0.32 4.67 0.06 2.55 1.04 -1.26 -5.02 113.70 115.43 2gbw s SER 97 Ca 0.64 2.09 -0.07 0.00 0.48 0.00 0.00 55.95 59.10 2gbw s SER 97 Cb -0.76 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 62.75 2gbw s SER 97 CO 0.56 -1.93 0.33 -0.54 0.98 0.00 0.00 173.24 172.65 2gbw s LYS 98 N -4.15 3.64 -0.05 4.02 1.02 0.05 -4.99 119.74 119.28 2gbw s LYS 98 Ca 0.68 -0.01 -0.07 0.00 0.02 0.00 0.00 55.97 56.60 2gbw s LYS 98 Cb -0.23 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2gbw s LYS 98 CO 0.45 0.58 0.17 -1.50 -0.92 0.00 0.00 175.35 174.13 2gbw s ILE 99 N -1.42 0.02 -0.04 2.17 2.07 -1.26 -2.06 121.20 120.67 2gbw s ILE 99 Ca 0.33 -0.16 -0.02 0.00 -1.41 0.00 0.00 60.65 59.38 2gbw s ILE 99 Cb -0.13 -0.30 0.03 0.00 0.13 0.00 0.00 42.46 42.18 2gbw s ILE 99 CO 0.19 -0.09 0.09 -0.60 -1.91 0.00 0.00 174.94 172.63 2gbw s ARG 100 N -0.26 0.05 -0.08 3.50 3.52 -0.07 -4.76 118.95 120.85 2gbw s ARG 100 Ca -0.04 0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.83 2gbw s ARG 100 Cb -0.03 -0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.20 2gbw s ARG 100 CO 0.01 -0.13 -0.13 0.71 -0.81 0.00 0.00 175.30 174.95 2gbw s TYR 101 N 0.84 2.77 -0.32 5.12 1.51 -1.26 -1.31 117.35 124.70 2gbw s TYR 101 Ca -0.07 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 2gbw s TYR 101 Cb -0.09 -1.72 0.09 0.00 -0.11 0.00 0.00 41.96 40.12 2gbw s TYR 101 CO -0.03 0.04 0.01 -0.06 -1.11 0.00 0.00 175.55 174.40 2gbw s PHE 102 N -0.31 3.57 -0.19 2.71 0.40 0.16 -5.00 117.98 119.32 2gbw s PHE 102 Ca 0.03 -2.67 -0.08 0.00 -0.60 0.00 0.00 56.93 53.60 2gbw s PHE 102 Cb -0.13 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 2gbw s PHE 102 CO 0.03 -0.92 0.09 0.08 0.70 0.00 0.00 175.22 175.19 2gbw s VAL 103 N 1.01 5.02 0.10 -0.44 1.01 -1.26 -0.68 120.40 125.15 2gbw s VAL 103 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 2gbw s VAL 103 Cb -0.20 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2gbw s VAL 103 CO -0.06 0.45 0.03 -0.55 0.00 0.00 0.00 175.10 174.97 2gbw s SER 104 N 0.39 0.37 -1.24 3.32 0.15 0.28 -4.93 113.70 112.05 2gbw s SER 104 Ca 0.05 -1.09 -0.03 0.00 0.70 0.00 0.00 55.95 55.58 2gbw s SER 104 Cb -0.12 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2gbw s SER 104 CO -0.00 -0.68 1.05 -3.20 1.20 0.00 0.00 173.24 171.61 2gbw n ASN 105 N -0.01 -3.52 -4.67 5.45 5.15 -1.26 -0.44 115.26 115.96 2gbw n ASN 105 Ca -0.09 -0.58 -0.43 0.00 -0.60 0.00 0.00 54.58 52.87 2gbw n ASN 105 Cb 0.62 -5.04 -0.02 0.00 -0.53 0.00 0.00 39.78 34.82 2gbw n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2gbw s VAL 106 N -3.34 4.54 -0.07 3.44 1.01 -1.26 -4.20 120.40 120.52 2gbw s VAL 106 Ca 0.20 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.04 2gbw s VAL 106 Cb -0.09 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2gbw s VAL 106 CO 0.72 -0.10 -0.06 -1.61 0.00 0.00 0.00 175.10 174.04 2gbw s GLU 107 N 2.87 1.20 0.15 2.72 2.02 -0.54 -5.00 118.70 122.13 2gbw s GLU 107 Ca 0.49 -0.18 0.11 0.00 0.02 0.00 0.00 54.97 55.41 2gbw s GLU 107 Cb -0.19 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 2gbw s GLU 107 CO 0.13 -0.15 -0.26 0.00 0.02 0.00 0.00 175.26 175.01 2gbw s ALA 108 N 1.27 2.44 -0.02 5.21 0.00 -1.26 -1.02 121.76 128.38 2gbw s ALA 108 Ca -0.04 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.41 2gbw s ALA 108 Cb -0.14 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2gbw s ALA 108 CO -0.02 0.51 -0.04 -0.06 0.00 0.00 0.00 175.76 176.14 2gbw s PHE 109 N -1.26 0.54 0.20 0.00 0.40 0.36 -1.46 117.98 116.77 2gbw s PHE 109 Ca 0.16 -0.11 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 2gbw s PHE 109 Cb -0.09 -0.44 -0.10 0.00 0.51 0.00 0.00 43.02 42.90 2gbw s PHE 109 CO 0.07 -0.08 1.48 -1.21 0.70 0.00 0.00 175.22 176.19 2gbw s GLU 110 N 0.35 4.25 -0.10 0.44 0.41 -0.74 -0.85 118.70 122.46 2gbw s GLU 110 Ca -0.04 2.30 0.15 0.00 -0.41 0.00 0.00 54.97 56.97 2gbw s GLU 110 Cb -0.08 -3.14 0.23 0.00 -1.78 0.00 0.00 34.13 29.36 2gbw s GLU 110 CO -0.00 -0.49 1.11 0.00 -0.49 0.00 0.00 175.26 175.39 2gbw n ALA 111 N 3.14 2.19 -0.14 5.21 0.00 0.89 -4.33 120.51 127.47 2gbw n ALA 111 Ca 0.10 -2.27 0.02 0.00 0.00 0.00 0.00 53.44 51.29 2gbw n ALA 111 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 2gbw n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbw n GLY 112 N -1.20 -2.31 2.97 0.00 0.00 -1.24 -4.75 105.19 98.65 2gbw n GLY 112 Ca 0.13 -1.44 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 2gbw n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gbw n ASN 113 N -2.47 -3.19 0.00 1.61 5.15 -1.26 -0.10 115.26 114.99 2gbw n ASN 113 Ca -0.01 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2gbw n ASN 113 Cb 0.06 -2.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.61 2gbw n ASN 113 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2gbw n GLY 114 N -0.93 0.58 3.94 8.20 0.00 -1.26 -4.97 105.19 110.76 2gbw n GLY 114 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2gbw n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gbw s GLU 115 N -0.39 3.48 -0.02 1.61 2.02 0.85 -3.55 118.70 122.70 2gbw s GLU 115 Ca 0.00 -0.48 0.05 0.00 0.02 0.00 0.00 54.97 54.56 2gbw s GLU 115 Cb 0.00 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 2gbw s GLU 115 CO 0.00 0.35 -0.17 -0.51 0.02 0.00 0.00 175.26 174.96 2gbw s LEU 116 N -3.76 2.01 -0.21 1.80 1.43 -0.42 -0.07 118.68 119.46 2gbw s LEU 116 Ca 0.37 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 2gbw s LEU 116 Cb -0.10 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 2gbw s LEU 116 CO 0.31 0.20 0.11 -1.81 0.23 0.00 0.00 176.35 175.38 2gbw s ASP 117 N -0.33 5.85 -0.05 2.29 1.01 -0.03 -1.03 116.67 124.38 2gbw s ASP 117 Ca 0.05 0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.41 2gbw s ASP 117 Cb -0.07 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.85 2gbw s ASP 117 CO -0.00 0.12 -0.05 -0.69 0.21 0.00 0.00 175.17 174.76 2gbw s VAL 118 N 0.69 0.59 0.04 -1.27 1.01 -0.08 -0.48 120.40 120.90 2gbw s VAL 118 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2gbw s VAL 118 Cb -0.13 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2gbw s VAL 118 CO 0.01 0.25 0.06 -0.76 0.00 0.00 0.00 175.10 174.67 2gbw s LEU 119 N 1.09 3.77 0.12 3.92 1.43 -0.19 -0.58 118.68 128.24 2gbw s LEU 119 Ca -0.08 0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2gbw s LEU 119 Cb -0.14 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 43.81 2gbw s LEU 119 CO -0.01 0.22 0.61 -0.94 0.23 0.00 0.00 176.35 176.46 2gbw s SER 120 N -2.06 -0.58 -0.15 2.29 1.04 -0.72 -1.46 113.70 112.05 2gbw s SER 120 Ca 0.26 0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 2gbw s SER 120 Cb -0.12 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2gbw s SER 120 CO 0.18 -0.91 0.14 0.20 0.98 0.00 0.00 173.24 173.82 2gbw s ASN 121 N -2.49 6.32 -0.06 7.02 0.01 0.42 -1.05 114.94 125.10 2gbw s ASN 121 Ca -0.01 0.38 0.02 0.00 -0.71 0.00 0.00 52.86 52.54 2gbw s ASN 121 Cb -0.01 -2.08 0.01 0.00 0.41 0.00 0.00 41.25 39.59 2gbw s ASN 121 CO -0.09 0.32 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.07 2gbw s ILE 122 N -0.48 1.11 -0.14 0.60 1.01 0.02 -0.56 121.20 122.77 2gbw s ILE 122 Ca 0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2gbw s ILE 122 Cb -0.12 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 2gbw s ILE 122 CO 0.02 0.35 -0.11 -0.22 0.00 0.00 0.00 174.94 174.98 2gbw s LEU 123 N 0.58 2.85 -0.19 2.97 2.96 0.14 -0.83 118.68 127.17 2gbw s LEU 123 Ca -0.13 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2gbw s LEU 123 Cb -0.15 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.92 2gbw s LEU 123 CO 0.03 0.17 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.39 2gbw s VAL 124 N 0.34 1.84 -0.24 1.68 1.01 0.55 -0.66 120.40 124.92 2gbw s VAL 124 Ca -0.09 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 2gbw s VAL 124 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2gbw s VAL 124 CO 0.05 0.35 0.10 -0.31 0.00 0.00 0.00 175.10 175.29 2gbw s TYR 125 N 1.35 3.16 -0.03 5.22 1.51 -0.42 -0.92 117.35 127.22 2gbw s TYR 125 Ca 0.02 -0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 2gbw s TYR 125 Cb -0.15 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 2gbw s TYR 125 CO -0.10 -0.17 -0.25 1.03 -1.11 0.00 0.00 175.55 174.95 2gbw s ARG 126 N 1.31 2.16 0.02 -0.62 0.52 0.47 -0.89 118.95 121.92 2gbw s ARG 126 Ca 0.06 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 2gbw s ARG 126 Cb -0.15 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 2gbw s ARG 126 CO 0.05 0.51 -0.11 -0.80 0.02 0.00 0.00 175.30 174.97 2gbw s ASN 127 N -0.50 1.23 0.17 0.23 -0.87 -0.88 -1.18 114.94 113.14 2gbw s ASN 127 Ca 0.07 -0.35 -0.14 0.00 -1.57 0.00 0.00 52.86 50.86 2gbw s ASN 127 Cb -0.11 -0.08 0.02 0.00 -0.02 0.00 0.00 41.25 41.06 2gbw s ASN 127 CO 0.00 0.01 0.42 0.00 -2.57 0.00 0.00 177.10 174.96 2gbw s ARG 128 N -0.85 1.23 5.13 -0.60 1.70 -0.78 -0.77 118.95 124.01 2gbw s ARG 128 Ca -0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 2gbw s ARG 128 Cb -0.06 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2gbw s ARG 128 CO 0.00 -0.49 0.00 0.54 -1.08 0.00 0.00 175.30 174.27 2gbw n ARG 129 N -0.27 0.00 -0.09 3.89 5.12 -1.26 -2.58 116.66 121.47 2gbw n ARG 129 Ca -0.11 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.69 2gbw n ARG 129 Cb 0.63 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.88 2gbw n ARG 129 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2gbw n GLN 130 N 14.00 0.52 0.00 5.56 1.13 -1.26 -4.78 117.38 132.54 2gbw n GLN 130 Ca 0.00 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 2gbw n GLN 130 Cb 0.00 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 28.77 2gbw n GLN 130 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2gbw n THR 131 N -4.48 0.76 -2.76 5.09 -2.24 -1.26 -5.04 114.28 104.36 2gbw n THR 131 Ca -0.21 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 2gbw n THR 131 Cb 0.51 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2gbw n THR 131 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2gbw s GLU 132 N -0.76 4.49 -0.04 -0.78 2.12 -1.07 -5.00 118.70 117.67 2gbw s GLU 132 Ca 0.00 1.31 -0.00 0.00 0.36 0.00 0.00 54.97 56.64 2gbw s GLU 132 Cb 0.00 -3.49 0.03 0.00 0.26 0.00 0.00 34.13 30.93 2gbw s GLU 132 CO 0.00 -0.12 0.02 0.08 -0.54 0.00 0.00 175.26 174.70 2gbw s VAL 133 N 1.31 0.12 0.07 3.70 1.01 -1.26 -1.87 120.40 123.48 2gbw s VAL 133 Ca 0.48 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.68 2gbw s VAL 133 Cb -0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2gbw s VAL 133 CO 0.23 0.17 -0.10 0.42 0.00 0.00 0.00 175.10 175.81 2gbw s THR 134 N 1.45 0.83 -0.04 3.92 -4.23 -0.33 -5.00 115.64 112.25 2gbw s THR 134 Ca -0.04 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2gbw s THR 134 Cb -0.13 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.74 2gbw s THR 134 CO -0.03 -0.39 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.88 2gbw s VAL 135 N -1.69 0.79 0.02 2.29 1.01 -1.26 -0.39 120.40 121.16 2gbw s VAL 135 Ca -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2gbw s VAL 135 Cb -0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2gbw s VAL 135 CO 0.01 0.26 -0.10 -1.00 0.00 0.00 0.00 175.10 174.26 2gbw s HIS 136 N 0.45 0.92 0.01 5.22 3.76 -0.10 -4.96 115.29 120.58 2gbw s HIS 136 Ca -0.07 -0.27 0.08 0.00 -0.15 0.00 0.00 55.06 54.65 2gbw s HIS 136 Cb -0.11 -0.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 2gbw s HIS 136 CO 0.01 -0.01 -0.23 0.95 -0.85 0.00 0.00 174.74 174.61 2gbw s THR 137 N -0.59 1.87 0.03 1.30 -4.23 -1.26 -0.33 115.64 112.43 2gbw s THR 137 Ca 0.01 -1.11 -0.13 0.00 -1.18 0.00 0.00 61.69 59.28 2gbw s THR 137 Cb -0.06 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.22 2gbw s THR 137 CO 0.00 0.43 0.27 -0.76 -0.54 0.00 0.00 174.62 174.03 2gbw s LEU 138 N -0.80 1.03 0.11 4.79 1.02 -0.01 -2.06 118.68 122.75 2gbw s LEU 138 Ca 0.09 -0.19 -0.08 0.00 0.02 0.00 0.00 54.13 53.98 2gbw s LEU 138 Cb -0.09 1.21 -0.06 0.00 0.02 0.00 0.00 46.19 47.27 2gbw s LEU 138 CO 0.00 -0.56 0.40 -0.83 0.02 0.00 0.00 176.35 175.38 2gbw s GLY 139 N -1.91 2.30 -0.07 -3.19 0.00 -0.34 -0.80 107.32 103.31 2gbw s GLY 139 Ca -0.07 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.26 2gbw s GLY 139 CO -0.02 -0.27 -0.21 -1.60 0.00 0.00 0.00 173.10 171.00 2gbw s ARG 140 N -2.20 2.43 -0.22 2.90 3.52 -0.22 -0.06 118.95 125.10 2gbw s ARG 140 Ca 0.36 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2gbw s ARG 140 Cb -0.13 -1.98 0.05 0.00 -1.56 0.00 0.00 34.95 31.34 2gbw s ARG 140 CO 0.20 0.25 -0.06 -1.21 -0.81 0.00 0.00 175.30 173.67 2gbw s GLU 141 N 0.13 1.67 0.13 5.12 2.02 0.15 -1.75 118.70 126.17 2gbw s GLU 141 Ca -0.10 -0.90 0.07 0.00 0.02 0.00 0.00 54.97 54.07 2gbw s GLU 141 Cb -0.15 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 2gbw s GLU 141 CO 0.05 -0.55 -0.08 -0.51 0.02 0.00 0.00 175.26 174.19 2gbw s ASP 142 N 1.43 4.44 -0.14 -0.19 1.01 0.25 -1.00 116.67 122.47 2gbw s ASP 142 Ca -0.04 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.80 2gbw s ASP 142 Cb -0.18 -0.85 -0.01 0.00 1.01 0.00 0.00 42.92 42.90 2gbw s ASP 142 CO -0.07 0.15 -0.15 -0.54 0.21 0.00 0.00 175.17 174.77 2gbw s LYS 143 N -2.47 3.26 0.02 8.23 1.02 0.06 -0.90 119.74 128.97 2gbw s LYS 143 Ca 0.23 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 55.54 2gbw s LYS 143 Cb -0.10 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2gbw s LYS 143 CO 0.15 0.09 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.02 2gbw s LEU 144 N 0.63 2.77 -0.06 3.17 1.43 -0.19 -1.27 118.68 125.16 2gbw s LEU 144 Ca -0.08 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2gbw s LEU 144 Cb -0.16 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2gbw s LEU 144 CO 0.03 0.28 0.00 -0.60 0.23 0.00 0.00 176.35 176.29 2gbw s ARG 145 N -1.30 2.93 0.32 1.70 3.52 -0.12 -1.30 118.95 124.69 2gbw s ARG 145 Ca 0.15 -0.47 -0.27 0.00 -0.13 0.00 0.00 55.73 55.01 2gbw s ARG 145 Cb -0.11 -2.76 -0.09 0.00 -1.56 0.00 0.00 34.95 30.43 2gbw s ARG 145 CO 0.05 0.68 1.05 1.03 -0.81 0.00 0.00 175.30 177.30 2gbw s ARG 146 N -1.09 4.50 0.08 5.12 0.52 -1.23 -1.47 118.95 125.37 2gbw s ARG 146 Ca 0.15 1.63 0.01 0.00 -0.52 0.00 0.00 55.73 57.01 2gbw s ARG 146 Cb -0.11 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 2gbw s ARG 146 CO 0.05 0.13 0.08 -0.40 0.02 0.00 0.00 175.30 175.18 2gbw n ASP 147 N 0.75 -0.20 0.26 0.23 5.68 -0.47 -4.90 116.55 117.90 2gbw n ASP 147 Ca 0.01 -1.51 0.17 0.00 -0.50 0.00 0.00 54.79 52.96 2gbw n ASP 147 Cb 0.47 0.44 0.89 0.00 -1.14 0.00 0.00 41.12 41.78 2gbw n ASP 147 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2gbw h GLY 148 N 0.49 0.00 -0.10 6.12 0.00 -2.00 -2.88 103.07 104.70 2gbw h GLY 148 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2gbw h GLY 148 CO 0.08 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.32 2gbw n ASN 149 N -2.74 2.21 0.00 0.19 3.02 -1.26 -5.09 115.26 111.59 2gbw n ASN 149 Ca -0.02 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 2gbw n ASN 149 Cb 0.10 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2gbw n ASN 149 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gbw n GLY 150 N -0.75 0.93 3.25 7.41 0.00 -1.09 -5.06 105.19 109.88 2gbw n GLY 150 Ca 0.06 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 2gbw n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gbw s PHE 151 N 0.00 1.46 0.02 1.61 0.08 -1.26 -1.37 117.98 118.52 2gbw s PHE 151 Ca 0.00 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.56 2gbw s PHE 151 Cb 0.00 -0.77 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 2gbw s PHE 151 CO 0.00 0.16 -0.09 0.15 -0.10 0.00 0.00 175.22 175.34 2gbw s LYS 152 N -2.53 0.65 0.04 0.44 1.02 -0.54 -4.67 119.74 114.15 2gbw s LYS 152 Ca 0.08 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.28 2gbw s LYS 152 Cb -0.06 -0.58 -0.06 0.00 -0.52 0.00 0.00 37.83 36.62 2gbw s LYS 152 CO 0.03 0.14 0.71 0.54 -0.92 0.00 0.00 175.35 175.85 2gbw s VAL 153 N -0.74 4.76 0.00 3.17 0.11 -0.46 -0.94 120.40 126.29 2gbw s VAL 153 Ca -0.02 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.54 2gbw s VAL 153 Cb -0.06 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 2gbw s VAL 153 CO 0.00 0.40 0.00 2.22 -3.33 0.00 0.00 175.10 174.39 2gbw n PHE 154 N 2.67 0.00 -3.75 1.54 -1.74 -0.39 -0.84 117.46 114.95 2gbw n PHE 154 Ca -0.04 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.71 2gbw n PHE 154 Cb 0.50 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.36 2gbw n PHE 154 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2gbw s ARG 155 N -0.95 0.06 -0.06 3.97 1.81 -1.09 -2.17 118.95 120.52 2gbw s ARG 155 Ca 0.00 0.35 -0.01 0.00 -1.72 0.00 0.00 55.73 54.35 2gbw s ARG 155 Cb 0.00 -0.20 0.03 0.00 -0.45 0.00 0.00 34.95 34.33 2gbw s ARG 155 CO 0.00 -0.18 0.01 0.50 -0.68 0.00 0.00 175.30 174.95 2gbw s ARG 156 N 1.23 0.47 -0.13 3.54 3.52 -0.52 -0.76 118.95 126.31 2gbw s ARG 156 Ca -0.08 0.13 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 2gbw s ARG 156 Cb -0.12 -0.82 -0.00 0.00 -1.56 0.00 0.00 34.95 32.45 2gbw s ARG 156 CO -0.05 -0.27 -0.18 0.21 -0.81 0.00 0.00 175.30 174.19 2gbw s LYS 157 N 1.80 3.18 -0.14 5.12 2.20 -0.17 -0.85 119.74 130.89 2gbw s LYS 157 Ca 0.02 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 2gbw s LYS 157 Cb -0.13 -2.50 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 2gbw s LYS 157 CO -0.04 0.11 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.34 2gbw s LEU 158 N 0.55 2.16 -0.34 5.43 1.43 -0.20 -0.68 118.68 127.03 2gbw s LEU 158 Ca -0.11 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 2gbw s LEU 158 Cb -0.16 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.66 2gbw s LEU 158 CO 0.04 0.09 0.09 -0.63 0.23 0.00 0.00 176.35 176.17 2gbw s ILE 159 N 0.76 3.33 0.26 -0.59 1.01 0.91 -3.98 121.20 122.91 2gbw s ILE 159 Ca -0.08 -1.47 -0.30 0.00 0.00 0.00 0.00 60.65 58.81 2gbw s ILE 159 Cb -0.16 -2.99 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 2gbw s ILE 159 CO -0.00 -0.27 1.11 -0.76 0.00 0.00 0.00 174.94 175.01 2gbw s LEU 160 N 1.28 4.54 0.15 2.97 1.43 -1.26 -1.20 118.68 126.59 2gbw s LEU 160 Ca -0.01 2.25 0.12 0.00 -1.03 0.00 0.00 54.13 55.47 2gbw s LEU 160 Cb -0.20 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.29 2gbw s LEU 160 CO -0.01 -0.17 1.20 0.44 0.23 0.00 0.00 176.35 178.05 2gbw h ASP 161 N 4.02 0.00 -3.32 2.29 3.32 -1.80 -3.45 116.42 117.47 2gbw h ASP 161 Ca -0.46 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.01 2gbw h ASP 161 Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.68 2gbw h ASP 161 CO 0.68 0.75 -0.19 0.00 -1.72 0.00 0.00 179.24 178.76 2gbw s ALA 162 N -2.82 3.51 0.03 3.45 0.00 -1.26 -5.00 121.76 119.67 2gbw s ALA 162 Ca 0.01 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 2gbw s ALA 162 Cb 0.09 -2.58 -0.18 0.00 0.00 0.00 0.00 23.12 20.45 2gbw s ALA 162 CO 0.79 0.02 1.50 -0.09 0.00 0.00 0.00 175.76 177.98 2gbw h ARG 163 N 6.73 -0.03 -4.88 0.00 9.65 -1.91 -3.40 114.38 120.52 2gbw h ARG 163 Ca -0.41 0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 57.82 2gbw h ARG 163 Cb 1.17 0.01 -0.19 0.00 -1.39 0.00 0.00 29.97 29.57 2gbw h ARG 163 CO 0.76 0.21 -0.54 0.08 2.80 0.00 0.00 179.97 183.27 2gbw s VAL 164 N -5.24 5.01 -0.19 0.20 1.01 -1.26 -5.05 120.40 114.88 2gbw s VAL 164 Ca -0.14 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2gbw s VAL 164 Cb 0.04 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2gbw s VAL 164 CO 0.66 0.23 1.26 -0.89 0.00 0.00 0.00 175.10 176.36 2gbw s THR 165 N 1.71 4.28 -1.20 3.92 2.01 -1.26 -4.94 115.64 120.16 2gbw s THR 165 Ca 0.07 1.53 -0.05 0.00 0.31 0.00 0.00 61.69 63.54 2gbw s THR 165 Cb -0.16 -4.04 0.21 0.00 0.01 0.00 0.00 72.50 68.52 2gbw s THR 165 CO 0.09 -0.20 2.03 0.00 -0.69 0.00 0.00 174.62 175.85 2gbw n GLN 166 N 6.73 4.67 -3.46 4.92 6.02 -1.26 -4.89 117.38 130.10 2gbw n GLN 166 Ca 0.14 -3.96 -0.13 0.00 -0.01 0.00 0.00 57.00 53.04 2gbw n GLN 166 Cb 0.45 -2.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.06 2gbw n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2gbw s ASP 167 N -0.32 -0.56 0.45 1.08 -1.08 -1.26 -4.77 116.67 110.21 2gbw s ASP 167 Ca 0.44 0.22 0.13 0.00 -0.52 0.00 0.00 52.55 52.82 2gbw s ASP 167 Cb 0.15 0.54 1.05 0.00 -1.46 0.00 0.00 42.92 43.21 2gbw s ASP 167 CO -0.06 -0.80 2.05 0.11 0.52 0.00 0.00 175.17 176.99 2gbw h LYS 168 N 2.30 0.32 -2.74 4.34 1.57 -2.02 -3.46 116.57 116.89 2gbw h LYS 168 Ca -0.30 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.56 2gbw h LYS 168 Cb 1.25 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 2gbw h LYS 168 CO 0.37 0.21 0.33 0.54 -0.57 0.00 0.00 179.45 180.33 2gbw s ASN 169 N -6.61 -0.26 -0.40 0.86 2.20 -1.26 -5.04 114.94 104.43 2gbw s ASN 169 Ca -0.07 -0.46 0.05 0.00 -0.94 0.00 0.00 52.86 51.43 2gbw s ASN 169 Cb 0.18 0.62 0.45 0.00 -2.00 0.00 0.00 41.25 40.50 2gbw s ASN 169 CO 0.72 -1.13 1.38 0.18 -2.94 0.00 0.00 177.10 175.31 2gbw n LEU 170 N -0.45 5.55 -3.75 3.54 4.77 -1.26 -4.94 117.00 120.46 2gbw n LEU 170 Ca -0.06 -4.72 -0.42 0.00 -0.03 0.00 0.00 56.01 50.79 2gbw n LEU 170 Cb 0.60 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2gbw n LEU 170 CO 0.14 1.99 1.91 0.00 -1.33 0.00 0.00 177.39 180.10 2gbw n TYR 171 N -0.72 2.69 -3.90 -1.77 4.19 -1.26 -4.82 117.16 111.57 2gbw n TYR 171 Ca 0.48 -2.74 -0.10 0.00 3.31 0.00 0.00 57.90 58.85 2gbw n TYR 171 Cb 0.85 -1.73 -0.09 0.00 0.49 0.00 0.00 39.34 38.86 2gbw n TYR 171 CO 0.00 0.00 0.00 -0.59 0.91 0.00 0.00 176.86 177.18 2gbw s PHE 172 N -1.04 0.15 0.19 2.98 -0.12 -1.26 -5.14 117.98 113.74 2gbw s PHE 172 Ca 0.42 -0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 56.85 2gbw s PHE 172 Cb 0.12 -0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 2gbw s PHE 172 CO -0.02 -0.39 0.39 -0.06 -0.05 0.00 0.00 175.22 175.09 2gbw s PHE 173 N -2.64 3.48 0.00 3.49 0.08 -1.26 -5.20 117.98 115.94 2gbw s PHE 173 Ca -0.05 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.41 2gbw s PHE 173 Cb -0.01 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 2gbw s PHE 173 CO -0.05 0.39 0.12 0.00 -0.10 0.00 0.00 175.22 175.58