#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 5.17 0.48 1.69 1.01 -1.26 -5.01 121.20 123.28 2gbw s ILE 6 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 2gbw s ILE 6 Cb 0.00 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 2gbw s ILE 6 CO 0.00 -0.42 1.28 -2.84 0.00 0.00 0.00 174.94 172.96 2gbw s PRO 7 N 1.90 3.57 0.76 2.79 0.02 -1.26 -0.91 135.00 141.87 2gbw s PRO 7 Ca 0.08 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 2gbw s PRO 7 Cb -0.19 -2.44 0.05 0.00 0.02 0.00 0.00 34.50 31.94 2gbw s PRO 7 CO 0.11 -0.78 1.08 0.14 -0.33 0.00 0.00 177.00 177.22 2gbw s VAL 8 N -1.38 3.41 0.70 3.83 -7.23 -0.62 -4.76 120.40 114.34 2gbw s VAL 8 Ca 0.65 0.46 -0.14 0.00 -1.81 0.00 0.00 61.98 61.14 2gbw s VAL 8 Cb -0.36 -3.18 0.02 0.00 0.56 0.00 0.00 36.38 33.42 2gbw s VAL 8 CO 0.44 -0.60 1.12 0.42 -0.31 0.00 0.00 175.10 176.16 2gbw s THR 9 N -3.10 3.13 0.41 5.32 -4.23 -1.26 -4.80 115.64 111.10 2gbw s THR 9 Ca 0.60 0.48 0.12 0.00 -1.18 0.00 0.00 61.69 61.71 2gbw s THR 9 Cb -0.14 -2.98 0.33 0.00 1.34 0.00 0.00 72.50 71.04 2gbw s THR 9 CO 0.55 -0.37 1.95 -0.65 -0.54 0.00 0.00 174.62 175.56 2gbw h PRO 10 N -0.33 0.50 -0.35 3.99 0.11 -1.99 0.66 132.00 134.59 2gbw h PRO 10 Ca -0.46 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 2gbw h PRO 10 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2gbw h PRO 10 CO 0.53 0.33 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.99 2gbw h ASP 11 N 0.51 0.79 -0.66 -2.05 3.32 -2.00 -1.47 116.42 114.87 2gbw h ASP 11 Ca 0.33 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 2gbw h ASP 11 Cb 0.59 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2gbw h ASP 11 CO -0.11 1.04 0.19 0.58 -1.72 0.00 0.00 179.24 179.22 2gbw h VAL 12 N 0.54 1.25 -0.31 -1.35 2.07 -1.82 -2.34 116.25 114.29 2gbw h VAL 12 Ca 0.07 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2gbw h VAL 12 Cb 0.77 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2gbw h VAL 12 CO 0.06 0.35 0.18 -0.74 0.02 0.00 0.00 177.57 177.44 2gbw h HIS 13 N 1.01 0.42 -0.33 1.57 -0.00 -0.70 -1.42 115.15 115.70 2gbw h HIS 13 Ca 0.22 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.64 2gbw h HIS 13 Cb 0.32 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 2gbw h HIS 13 CO 0.02 0.31 -0.01 -0.92 -0.00 0.00 0.00 177.93 177.33 2gbw h TYR 14 N 0.40 -0.04 -0.92 5.26 3.20 -1.18 -0.28 116.97 123.41 2gbw h TYR 14 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2gbw h TYR 14 Cb 0.02 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 2gbw h TYR 14 CO -0.04 -0.07 0.60 -0.44 -1.64 0.00 0.00 178.16 176.57 2gbw h ASP 15 N 0.08 1.00 -0.40 -2.11 3.32 -0.92 0.28 116.42 117.67 2gbw h ASP 15 Ca 0.16 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 2gbw h ASP 15 Cb 0.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2gbw h ASP 15 CO -0.28 0.70 -0.07 0.40 -1.72 0.00 0.00 179.24 178.27 2gbw h ILE 16 N 1.17 1.27 -0.69 0.35 2.04 -0.68 -0.76 117.51 120.21 2gbw h ILE 16 Ca 0.36 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2gbw h ILE 16 Cb -0.02 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2gbw h ILE 16 CO -0.10 0.39 0.41 -0.33 0.00 0.00 0.00 178.15 178.51 2gbw h GLU 17 N 0.58 0.94 -0.79 2.37 4.39 -0.55 -0.68 114.58 120.84 2gbw h GLU 17 Ca 0.11 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2gbw h GLU 17 Cb 0.59 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2gbw h GLU 17 CO 0.04 0.68 0.45 0.00 -1.16 0.00 0.00 179.01 179.01 2gbw h ALA 18 N 1.21 1.01 -0.30 3.43 0.00 -0.78 -0.78 119.26 123.05 2gbw h ALA 18 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2gbw h ALA 18 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2gbw h ALA 18 CO -0.04 0.50 0.19 1.25 0.00 0.00 0.00 179.25 181.14 2gbw h HIS 19 N 1.09 0.38 -0.15 0.00 -0.00 -0.68 -1.76 115.15 114.03 2gbw h HIS 19 Ca 0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.55 2gbw h HIS 19 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2gbw h HIS 19 CO -0.00 0.26 -0.35 1.88 -0.00 0.00 0.00 177.93 179.72 2gbw h TYR 20 N 0.39 0.34 -0.37 5.26 0.05 -0.69 0.41 116.97 122.37 2gbw h TYR 20 Ca 0.11 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 2gbw h TYR 20 Cb -0.02 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 2gbw h TYR 20 CO -0.05 0.62 -0.01 0.00 -1.05 0.00 0.00 178.16 177.67 2gbw h ARG 21 N 0.26 0.65 -0.61 4.88 3.08 -0.92 -0.92 114.38 120.80 2gbw h ARG 21 Ca 0.03 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2gbw h ARG 21 Cb 0.74 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2gbw h ARG 21 CO 0.06 0.76 0.13 0.00 -1.07 0.00 0.00 179.97 179.84 2gbw h ALA 22 N 0.87 1.08 -0.07 0.04 0.00 -0.95 -1.52 119.26 118.71 2gbw h ALA 22 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gbw h ALA 22 Cb 0.47 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gbw h ALA 22 CO 0.02 0.61 0.04 1.49 0.00 0.00 0.00 179.25 181.41 2gbw h GLU 23 N 0.92 0.10 -0.45 0.00 4.81 -0.71 -1.08 114.58 118.17 2gbw h GLU 23 Ca 0.19 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2gbw h GLU 23 Cb 0.36 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 2gbw h GLU 23 CO 0.00 0.12 0.05 0.28 -0.73 0.00 0.00 179.01 178.74 2gbw h VAL 24 N 0.04 0.71 -0.36 0.32 2.07 -1.04 -1.30 116.25 116.70 2gbw h VAL 24 Ca 0.02 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2gbw h VAL 24 Cb 0.05 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2gbw h VAL 24 CO -0.00 0.03 0.14 -0.09 0.02 0.00 0.00 177.57 177.67 2gbw h ARG 25 N 0.17 0.50 -0.27 1.57 2.43 -0.94 0.25 114.38 118.08 2gbw h ARG 25 Ca 0.22 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2gbw h ARG 25 Cb 0.30 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2gbw h ARG 25 CO -0.32 0.42 0.08 0.52 -1.51 0.00 0.00 179.97 179.16 2gbw h MET 26 N 0.50 0.42 -0.23 0.20 2.86 -0.53 -1.37 114.93 116.79 2gbw h MET 26 Ca 0.12 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2gbw h MET 26 Cb 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2gbw h MET 26 CO -0.01 0.49 0.10 0.74 1.06 0.00 0.00 176.91 179.29 2gbw h PHE 27 N 0.28 0.18 0.00 -0.22 0.04 -0.53 -0.44 116.94 116.24 2gbw h PHE 27 Ca 0.09 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2gbw h PHE 27 Cb 0.25 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 2gbw h PHE 27 CO 0.01 0.10 -0.06 1.96 -0.60 0.00 0.00 178.31 179.71 2gbw h GLN 28 N 0.22 0.00 -0.25 1.51 4.20 -0.39 -2.83 115.11 117.56 2gbw h GLN 28 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2gbw h GLN 28 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2gbw h GLN 28 CO -0.08 0.06 0.00 0.25 -0.67 0.00 0.00 178.83 178.39 2gbw n THR 29 N -3.36 0.67 -1.72 -0.54 -2.24 -0.53 -4.86 114.28 101.69 2gbw n THR 29 Ca -0.01 -0.83 -0.08 0.00 -2.27 0.00 0.00 64.05 60.86 2gbw n THR 29 Cb 0.21 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.61 0.47 2.51 3.38 0.00 -0.36 -4.94 105.19 106.87 2gbw n GLY 30 Ca 0.11 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.21 4.67 0.16 1.61 6.02 -0.32 -4.70 117.38 122.61 2gbw n GLN 31 Ca -0.08 -3.63 0.00 0.00 -0.01 0.00 0.00 57.00 53.28 2gbw n GLN 31 Cb 0.42 -2.59 0.26 0.00 1.02 0.00 0.00 30.24 29.36 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 4.48 0.02 -0.23 1.08 0.05 -1.92 -1.70 116.97 118.75 2gbw h TYR 32 Ca 0.67 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 59.30 2gbw h TYR 32 Cb 0.32 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2gbw h TYR 32 CO 1.56 0.50 -0.41 0.00 -1.05 0.00 0.00 178.16 178.76 2gbw h ARG 33 N 0.02 0.68 -0.55 4.88 3.08 -1.95 -1.49 114.38 119.05 2gbw h ARG 33 Ca -0.00 -0.43 0.07 0.00 0.07 0.00 0.00 59.98 59.69 2gbw h ARG 33 Cb 0.86 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.90 2gbw h ARG 33 CO 0.06 1.05 0.22 1.49 -1.07 0.00 0.00 179.97 181.72 2gbw h GLU 34 N 0.40 0.41 -0.07 0.04 4.81 -1.91 -1.38 114.58 116.88 2gbw h GLU 34 Ca 0.01 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2gbw h GLU 34 Cb 1.00 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 2gbw h GLU 34 CO 0.09 0.27 -0.14 2.35 -0.73 0.00 0.00 179.01 180.85 2gbw h TRP 35 N 0.43 -0.36 -0.57 0.92 7.01 -1.13 -0.30 115.95 121.94 2gbw h TRP 35 Ca 0.26 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.19 2gbw h TRP 35 Cb 0.27 0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 2gbw h TRP 35 CO -0.14 -0.21 -0.02 1.25 -2.79 0.00 0.00 178.44 176.53 2gbw h LEU 36 N -0.20 0.98 -0.07 0.65 5.85 -1.14 0.22 115.31 121.59 2gbw h LEU 36 Ca 0.07 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 2gbw h LEU 36 Cb 0.30 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2gbw h LEU 36 CO -0.19 1.04 -0.18 -0.61 -0.34 0.00 0.00 178.44 178.16 2gbw h GLN 37 N 0.91 0.25 0.00 1.25 4.15 -1.17 -3.30 115.11 117.21 2gbw h GLN 37 Ca 0.16 -0.17 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 2gbw h GLN 37 Cb 0.55 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2gbw h GLN 37 CO 0.03 0.78 -1.55 0.41 -1.93 0.00 0.00 178.83 176.57 2gbw n GLY 38 N 0.51 -1.20 0.00 2.39 0.00 -0.13 -4.58 105.19 102.18 2gbw n GLY 38 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2gbw n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gbw n MET 39 N -2.67 1.34 -4.94 1.61 2.81 0.75 -4.77 117.12 111.24 2gbw n MET 39 Ca -0.08 -0.29 -0.29 0.00 -1.81 0.00 0.00 57.70 55.23 2gbw n MET 39 Cb 0.74 -0.77 -0.17 0.00 -0.71 0.00 0.00 33.22 32.31 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 -0.27 1.64 0.37 2.03 1.01 -1.17 -1.53 120.40 122.48 2gbw s VAL 40 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 2gbw s VAL 40 Cb 0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 2gbw s VAL 40 CO 0.00 0.47 1.01 0.00 0.00 0.00 0.00 175.10 176.58 2gbw s ALA 41 N 0.45 3.13 -0.22 5.51 0.00 -0.31 -4.76 121.76 125.56 2gbw s ALA 41 Ca -0.16 0.62 0.24 0.00 0.00 0.00 0.00 51.96 52.66 2gbw s ALA 41 Cb -0.17 -3.23 1.20 0.00 0.00 0.00 0.00 23.12 20.91 2gbw s ALA 41 CO 0.06 -0.06 1.73 0.93 0.00 0.00 0.00 175.76 178.42 2gbw h GLU 42 N 2.70 0.00 -0.63 0.00 5.08 -1.93 -1.72 114.58 118.09 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 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2gbw h GLU 42 CO 0.63 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.24 2gbw n ASP 43 N -2.33 3.50 -4.66 1.42 5.75 -1.26 -4.45 116.55 114.52 2gbw n ASP 43 Ca -0.00 -2.36 -0.44 0.00 -0.01 0.00 0.00 54.79 51.98 2gbw n ASP 43 Cb 0.10 -0.50 -0.01 0.00 -1.03 0.00 0.00 41.12 39.68 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 0.62 1.84 -4.27 2.12 0.13 -0.65 -4.86 119.36 114.30 2gbw n ILE 44 Ca 0.17 -0.46 -0.32 0.00 -1.10 0.00 0.00 62.75 61.05 2gbw n ILE 44 Cb 0.68 -1.36 -0.16 0.00 -0.84 0.00 0.00 39.64 37.96 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 -0.93 2.54 -0.23 9.51 5.65 -1.04 -3.97 115.29 126.82 2gbw s HIS 45 Ca 0.58 -1.41 -0.02 0.00 0.25 0.00 0.00 55.06 54.47 2gbw s HIS 45 Cb -0.63 -1.77 0.02 0.00 -1.18 0.00 0.00 32.58 29.02 2gbw s HIS 45 CO 0.60 -0.70 -0.08 -0.47 -0.65 0.00 0.00 174.74 173.44 2gbw s TYR 46 N 1.18 3.00 -0.06 3.88 6.14 0.03 -1.46 117.35 130.08 2gbw s TYR 46 Ca 0.01 -1.44 -0.02 0.00 0.64 0.00 0.00 57.07 56.26 2gbw s TYR 46 Cb -0.14 -2.05 0.04 0.00 0.42 0.00 0.00 41.96 40.23 2gbw s TYR 46 CO -0.09 -0.70 0.11 -0.46 0.64 0.00 0.00 175.55 175.05 2gbw s TRP 47 N 1.35 -0.08 -0.42 4.97 -0.00 -0.20 -1.09 118.94 123.47 2gbw s TRP 47 Ca 0.02 0.42 0.02 0.00 -0.00 0.00 0.00 56.10 56.56 2gbw s TRP 47 Cb -0.16 -0.29 0.13 0.00 -0.00 0.00 0.00 33.47 33.15 2gbw s TRP 47 CO -0.05 -0.20 0.22 1.41 -0.00 0.00 0.00 176.95 178.32 2gbw s MET 48 N 1.90 1.23 0.79 5.86 -2.45 -0.23 -0.60 119.30 125.80 2gbw s MET 48 Ca -0.00 -1.90 -0.12 0.00 -1.25 0.00 0.00 55.69 52.41 2gbw s MET 48 Cb -0.12 -2.33 0.07 0.00 1.25 0.00 0.00 34.83 33.71 2gbw s MET 48 CO -0.05 -1.14 1.14 -1.25 1.05 0.00 0.00 175.02 174.78 2gbw s PRO 49 N 0.50 1.89 -0.33 4.11 0.05 -1.25 -0.31 135.00 139.66 2gbw s PRO 49 Ca 0.17 1.47 -0.17 0.00 0.05 0.00 0.00 61.00 62.52 2gbw s PRO 49 Cb -0.24 -1.83 -0.01 0.00 0.05 0.00 0.00 34.50 32.47 2gbw s PRO 49 CO -0.02 -1.97 0.46 0.42 0.05 0.00 0.00 177.00 175.93 2gbw s ILE 50 N -2.52 5.08 -0.32 0.56 1.01 -1.07 -4.67 121.20 119.27 2gbw s ILE 50 Ca 0.67 0.35 -0.14 0.00 0.00 0.00 0.00 60.65 61.53 2gbw s ILE 50 Cb -0.22 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2gbw s ILE 50 CO 0.52 -0.11 0.31 -0.31 0.00 0.00 0.00 174.94 175.35 2gbw s TYR 51 N 2.25 3.22 0.59 3.97 2.02 -1.26 -4.86 117.35 123.29 2gbw s TYR 51 Ca 0.17 -0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.78 2gbw s TYR 51 Cb -0.16 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 2gbw s TYR 51 CO 0.12 -0.35 0.95 -1.83 -1.57 0.00 0.00 175.55 172.87 2gbw s GLU 52 N 1.91 3.30 -0.29 -0.62 -1.05 -1.26 -4.92 118.70 115.77 2gbw s GLU 52 Ca 0.10 0.39 -0.24 0.00 -0.15 0.00 0.00 54.97 55.07 2gbw s GLU 52 Cb -0.17 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.34 2gbw s GLU 52 CO 0.11 -0.59 0.83 -0.65 0.95 0.00 0.00 175.26 175.91 2gbw s GLN 53 N -5.06 4.04 0.16 -4.83 -1.52 -1.26 -5.05 119.66 106.15 2gbw s GLN 53 Ca 0.53 0.75 0.09 0.00 -1.95 0.00 0.00 55.36 54.78 2gbw s GLN 53 Cb -0.11 -3.70 -0.04 0.00 -0.22 0.00 0.00 33.01 28.94 2gbw s GLN 53 CO 0.49 -0.65 -0.20 1.03 -0.25 0.00 0.00 175.29 175.72 2gbw s ARG 54 N 2.99 1.29 0.64 2.91 0.52 -1.26 -5.13 118.95 120.91 2gbw s ARG 54 Ca 0.34 -1.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.01 2gbw s ARG 54 Cb -0.14 -1.44 -0.01 0.00 0.52 0.00 0.00 34.95 33.87 2gbw s ARG 54 CO 0.11 0.31 1.14 -0.51 0.02 0.00 0.00 175.30 176.37 2gbw s LEU 55 N -2.52 3.48 0.41 2.53 1.43 -1.26 -4.91 118.68 117.84 2gbw s LEU 55 Ca 0.15 2.14 0.07 0.00 -1.03 0.00 0.00 54.13 55.46 2gbw s LEU 55 Cb -0.07 -4.57 0.85 0.00 0.03 0.00 0.00 46.19 42.44 2gbw s LEU 55 CO 0.07 -1.67 2.05 0.74 0.23 0.00 0.00 176.35 177.77 2gbw h THR 56 N 0.29 1.11 0.00 5.49 2.02 -2.05 -1.88 112.91 117.90 2gbw h THR 56 Ca -0.48 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2gbw h THR 56 Cb 1.26 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2gbw h THR 56 CO 0.54 0.11 -0.11 0.08 0.37 0.00 0.00 175.52 176.51 2gbw h ARG 57 N 0.54 0.00 -6.58 6.66 0.11 -2.05 -3.43 114.38 109.63 2gbw h ARG 57 Ca 0.15 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.68 2gbw h ARG 57 Cb -0.04 0.00 0.06 0.00 1.11 0.00 0.00 29.97 31.09 2gbw h ARG 57 CO -0.03 0.11 0.95 -3.47 0.10 0.00 0.00 179.97 177.62 2gbw n ASP 58 N -3.57 3.67 -0.70 0.08 -0.08 -0.71 -4.90 116.55 110.33 2gbw n ASP 58 Ca -0.02 1.06 0.06 0.00 -1.51 0.00 0.00 54.79 54.39 2gbw n ASP 58 Cb 0.24 -1.52 0.17 0.00 2.34 0.00 0.00 41.12 42.35 2gbw n ASP 58 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2gbw n ARG 59 N 3.96 2.87 -1.84 -0.67 1.74 -1.26 -4.97 116.66 116.49 2gbw n ARG 59 Ca 0.17 -2.11 -0.37 0.00 -0.77 0.00 0.00 57.85 54.77 2gbw n ARG 59 Cb 0.33 -1.30 0.06 0.00 -1.02 0.00 0.00 32.46 30.52 2gbw n ARG 59 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gbw s ARG 60 N -1.02 2.71 0.75 5.56 0.52 -1.26 -5.00 118.95 121.21 2gbw s ARG 60 Ca 0.25 1.98 -0.11 0.00 -0.52 0.00 0.00 55.73 57.33 2gbw s ARG 60 Cb 0.13 -1.88 0.04 0.00 0.52 0.00 0.00 34.95 33.76 2gbw s ARG 60 CO 0.17 -1.45 1.09 -1.25 0.02 0.00 0.00 175.30 173.88 2gbw s PRO 61 N -3.35 2.51 0.87 3.54 0.04 -1.26 -5.04 135.00 132.30 2gbw s PRO 61 Ca 0.81 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2gbw s PRO 61 Cb -0.35 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.34 2gbw s PRO 61 CO 0.37 -1.32 1.11 -0.51 0.04 0.00 0.00 177.00 176.70 2gbw s ASP 62 N -4.07 3.48 0.42 6.66 1.01 -1.26 -4.96 116.67 117.96 2gbw s ASP 62 Ca 0.59 1.92 -0.26 0.00 0.71 0.00 0.00 52.55 55.51 2gbw s ASP 62 Cb -0.13 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 2gbw s ASP 62 CO 0.53 -2.70 1.41 -2.65 0.21 0.00 0.00 175.17 171.97 2gbw n PRO 63 N -3.96 2.30 -4.26 8.23 -0.02 -1.26 -5.04 135.00 130.99 2gbw n PRO 63 Ca 0.10 0.81 -0.27 0.00 -2.02 0.00 0.00 63.50 62.12 2gbw n PRO 63 Cb 0.53 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.17 1.92 -1.75 3.45 -4.23 -1.26 -5.02 115.64 107.59 2gbw s THR 64 Ca 0.59 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 2gbw s THR 64 Cb -0.48 -2.67 0.18 0.00 1.34 0.00 0.00 72.50 70.88 2gbw s THR 64 CO 0.60 0.00 1.00 -2.65 -0.54 0.00 0.00 174.62 173.03 2gbw n PRO 65 N -1.32 0.18 0.00 3.99 -0.02 -1.26 -1.10 135.00 135.48 2gbw n PRO 65 Ca -0.05 0.10 0.14 0.00 -2.02 0.00 0.00 63.50 61.66 2gbw n PRO 65 Cb 0.65 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 33.13 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 -1.13 1.01 -4.88 2.55 2.03 -1.26 -4.93 116.55 109.94 2gbw n ASP 66 Ca 0.05 -1.02 -0.21 0.00 0.52 0.00 0.00 54.79 54.13 2gbw n ASP 66 Cb 0.04 0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 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 -2.32 5.33 0.03 1.67 1.01 -0.26 -5.06 116.67 117.07 2gbw s ASP 67 Ca 0.31 -0.51 -0.38 0.00 0.71 0.00 0.00 52.55 52.67 2gbw s ASP 67 Cb 0.20 -0.91 -0.18 0.00 1.01 0.00 0.00 42.92 43.05 2gbw s ASP 67 CO 0.45 -0.44 1.27 0.00 0.21 0.00 0.00 175.17 176.65 2gbw n ALA 68 N -1.46 -1.91 -3.10 5.23 0.00 -1.26 -4.90 120.51 113.10 2gbw n ALA 68 Ca -0.00 0.54 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 2gbw n ALA 68 Cb 0.60 -1.97 -0.11 0.00 0.00 0.00 0.00 19.45 17.98 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 0.50 -0.42 0.21 0.00 0.00 -1.26 -2.59 121.76 118.19 2gbw s ALA 69 Ca 0.88 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.03 2gbw s ALA 69 Cb -1.09 -0.08 0.17 0.00 0.00 0.00 0.00 23.12 22.12 2gbw s ALA 69 CO 0.52 -0.16 1.52 0.82 0.00 0.00 0.00 175.76 178.46 2gbw h ILE 70 N 4.49 1.35 -4.10 0.00 2.04 -0.93 -3.42 117.51 116.93 2gbw h ILE 70 Ca -0.28 -1.89 -0.49 0.00 1.00 0.00 0.00 64.86 63.20 2gbw h ILE 70 Cb 1.19 1.88 -0.26 0.00 -0.74 0.00 0.00 36.82 38.90 2gbw h ILE 70 CO 0.40 0.57 -0.81 -0.31 0.00 0.00 0.00 178.15 178.00 2gbw s TYR 71 N -3.88 1.40 -0.42 1.37 1.51 -1.21 -4.97 117.35 111.16 2gbw s TYR 71 Ca -0.06 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2gbw s TYR 71 Cb 0.11 -0.84 0.25 0.00 -0.11 0.00 0.00 41.96 41.37 2gbw s TYR 71 CO 0.82 0.04 1.03 -1.71 -1.11 0.00 0.00 175.55 174.63 2gbw n ASN 72 N 2.00 -2.21 -4.29 2.29 2.85 -1.12 -1.07 115.26 113.71 2gbw n ASN 72 Ca -0.17 -2.54 -0.28 0.00 -0.11 0.00 0.00 54.58 51.48 2gbw n ASN 72 Cb 0.54 1.32 -0.15 0.00 1.24 0.00 0.00 39.78 42.73 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 -0.81 2.82 0.38 1.20 1.01 -0.25 -4.96 116.67 116.06 2gbw s ASP 73 Ca 0.29 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 53.04 2gbw s ASP 73 Cb 0.20 -0.26 0.05 0.00 1.01 0.00 0.00 42.92 43.92 2gbw s ASP 73 CO -0.16 0.23 0.38 -0.90 0.21 0.00 0.00 175.17 174.93 2gbw n ASP 74 N 1.93 0.76 -0.10 0.27 5.68 -1.26 -0.79 116.55 123.05 2gbw n ASP 74 Ca -0.17 -1.59 -0.09 0.00 -0.50 0.00 0.00 54.79 52.44 2gbw n ASP 74 Cb 0.52 -0.23 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.43 -0.76 2.11 3.57 -1.78 -1.13 116.94 119.19 2gbw h PHE 75 Ca -0.13 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.38 2gbw h PHE 75 Cb 0.53 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2gbw h PHE 75 CO 0.00 0.36 0.50 0.78 -2.23 0.00 0.00 178.31 177.72 2gbw h GLY 76 N 0.38 1.06 1.22 2.40 0.00 -1.95 0.66 103.07 106.84 2gbw h GLY 76 Ca 0.11 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 2gbw h GLY 76 CO -0.02 0.36 -0.47 0.83 0.00 0.00 0.00 176.54 177.24 2gbw h GLU 77 N 0.98 0.84 -0.81 4.80 5.08 -1.82 -2.29 114.58 121.35 2gbw h GLU 77 Ca 0.29 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2gbw h GLU 77 Cb -0.04 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2gbw h GLU 77 CO -0.07 1.12 0.38 -0.07 -1.00 0.00 0.00 179.01 179.37 2gbw h LEU 78 N 0.67 1.08 -1.06 1.33 3.38 -0.58 -1.87 115.31 118.26 2gbw h LEU 78 Ca 0.04 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2gbw h LEU 78 Cb 1.06 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2gbw h LEU 78 CO 0.11 0.92 0.63 0.50 0.09 0.00 0.00 178.44 180.68 2gbw h LYS 79 N 1.16 1.13 -0.29 1.13 3.64 -0.81 0.93 116.57 123.46 2gbw h LYS 79 Ca 0.28 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2gbw h LYS 79 Cb 0.13 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2gbw h LYS 79 CO -0.03 0.75 -0.04 0.37 -2.27 0.00 0.00 179.45 178.23 2gbw h GLN 80 N 1.17 0.54 -0.84 1.90 4.15 -1.13 -2.35 115.11 118.54 2gbw h GLN 80 Ca 0.41 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2gbw h GLN 80 Cb 0.11 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 2gbw h GLN 80 CO -0.15 0.72 0.45 0.00 -1.93 0.00 0.00 178.83 177.92 2gbw h ARG 81 N 0.31 1.18 -0.51 1.69 3.08 -0.90 -2.85 114.38 116.37 2gbw h ARG 81 Ca 0.08 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2gbw h ARG 81 Cb 0.50 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2gbw h ARG 81 CO 0.02 0.87 0.34 0.28 -1.07 0.00 0.00 179.97 180.42 2gbw h VAL 82 N 1.17 1.13 0.00 2.04 2.07 -0.67 -3.01 116.25 118.98 2gbw h VAL 82 Ca 0.29 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2gbw h VAL 82 Cb 0.05 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2gbw h VAL 82 CO -0.05 0.13 -0.12 -0.33 0.02 0.00 0.00 177.57 177.22 2gbw h GLU 83 N 0.69 0.00 -0.49 1.57 4.39 -1.18 0.21 114.58 119.77 2gbw h GLU 83 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2gbw h GLU 83 Cb -0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2gbw h GLU 83 CO -0.05 0.12 0.28 -0.09 -1.16 0.00 0.00 179.01 178.11 2gbw h ARG 84 N 0.00 0.68 0.08 2.33 2.43 -1.52 -0.86 114.38 117.53 2gbw h ARG 84 Ca -0.00 -0.07 -0.28 0.00 -0.81 0.00 0.00 59.98 58.81 2gbw h ARG 84 Cb 0.45 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2gbw h ARG 84 CO 0.02 0.52 -1.17 -0.07 -1.51 0.00 0.00 179.97 177.75 2gbw h LEU 85 N 0.65 0.84 -0.03 3.80 3.38 -1.44 -2.97 115.31 119.54 2gbw h LEU 85 Ca 0.17 -0.74 -0.23 0.00 0.09 0.00 0.00 57.88 57.17 2gbw h LEU 85 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2gbw h LEU 85 CO -0.03 1.55 -1.07 0.22 0.09 0.00 0.00 178.44 179.20 2gbw h TYR 86 N 0.29 0.29 0.00 1.13 5.03 -0.94 -3.41 116.97 119.36 2gbw h TYR 86 Ca -0.16 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 60.95 2gbw h TYR 86 Cb 1.84 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 40.10 2gbw h TYR 86 CO 0.10 1.11 -0.57 -1.13 -1.32 0.00 0.00 178.16 176.35 2gbw n SER 87 N -3.52 2.82 -4.71 -2.11 3.41 -0.37 -5.05 113.62 104.08 2gbw n SER 87 Ca -0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.24 2gbw n SER 87 Cb 0.94 0.26 0.12 0.00 -0.26 0.00 0.00 64.21 65.27 2gbw n SER 87 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gbw s GLY 88 N -2.29 1.91 -0.49 5.00 0.00 -0.95 -4.98 107.32 105.52 2gbw s GLY 88 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 44.72 45.19 2gbw s GLY 88 CO 0.00 1.01 0.42 -0.86 0.00 0.00 0.00 173.10 173.67 2gbw s GLN 89 N -4.45 2.88 -0.20 2.90 -2.07 -1.26 -4.91 119.66 112.55 2gbw s GLN 89 Ca 0.68 -1.56 -0.02 0.00 -1.82 0.00 0.00 55.36 52.64 2gbw s GLN 89 Cb -0.23 -4.14 0.00 0.00 -1.09 0.00 0.00 33.01 27.55 2gbw s GLN 89 CO 0.53 -1.17 -0.11 0.08 -1.32 0.00 0.00 175.29 173.31 2gbw s VAL 90 N 1.56 2.85 0.29 3.63 1.01 -1.26 -5.01 120.40 123.47 2gbw s VAL 90 Ca 0.04 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.44 2gbw s VAL 90 Cb -0.27 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2gbw s VAL 90 CO 0.04 0.47 1.65 -0.50 0.00 0.00 0.00 175.10 176.76 2gbw h TRP 91 N 8.04 0.06 0.00 5.22 4.06 -1.96 -0.84 115.95 130.54 2gbw h TRP 91 Ca -0.43 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.50 2gbw h TRP 91 Cb 1.15 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2gbw h TRP 91 CO 0.54 0.59 -0.00 0.52 -3.56 0.00 0.00 178.44 176.53 2gbw h MET 92 N 0.03 0.00 -0.51 0.49 2.86 -1.96 -2.35 114.93 113.49 2gbw h MET 92 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2gbw h MET 92 Cb 0.99 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 2gbw h MET 92 CO 0.07 0.00 0.04 0.39 1.06 0.00 0.00 176.91 178.48 2gbw n GLU 93 N -3.87 4.08 -3.58 1.72 -0.58 -0.33 -4.74 120.64 113.34 2gbw n GLU 93 Ca -0.03 -3.07 -0.40 0.00 -0.42 0.00 0.00 57.16 53.24 2gbw n GLU 93 Cb 0.08 -2.13 -0.09 0.00 -0.57 0.00 0.00 31.44 28.73 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 -1.21 5.65 0.77 1.62 2.15 -0.89 -1.75 116.67 123.02 2gbw s ASP 94 Ca 0.51 -1.87 -0.08 0.00 0.43 0.00 0.00 52.55 51.54 2gbw s ASP 94 Cb 0.40 -1.99 0.11 0.00 -0.30 0.00 0.00 42.92 41.14 2gbw s ASP 94 CO 0.13 -0.66 1.09 -2.16 -0.17 0.00 0.00 175.17 173.40 2gbw s PRO 95 N 1.35 1.68 0.28 4.34 0.04 -1.26 -5.03 135.00 136.40 2gbw s PRO 95 Ca 0.06 -0.49 -0.29 0.00 0.04 0.00 0.00 61.00 60.32 2gbw s PRO 95 Cb -0.25 -2.12 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 2gbw s PRO 95 CO -0.01 -1.59 1.17 -2.30 0.04 0.00 0.00 177.00 174.32 2gbw n PRO 96 N -3.12 1.67 -1.10 0.56 -0.02 -0.72 -4.94 135.00 127.33 2gbw n PRO 96 Ca 0.11 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 2gbw n PRO 96 Cb 0.60 -2.08 0.11 0.00 -0.02 0.00 0.00 33.50 32.12 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 -0.28 3.98 0.05 2.55 1.04 -1.26 -5.01 113.70 114.77 2gbw s SER 97 Ca 0.61 1.97 -0.08 0.00 0.48 0.00 0.00 55.95 58.94 2gbw s SER 97 Cb -0.67 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 62.86 2gbw s SER 97 CO 0.58 -2.39 0.33 -0.54 0.98 0.00 0.00 173.24 172.20 2gbw s LYS 98 N -4.75 3.66 -0.03 4.02 -0.14 0.24 -4.99 119.74 117.75 2gbw s LYS 98 Ca 0.64 0.03 -0.04 0.00 -1.36 0.00 0.00 55.97 55.24 2gbw s LYS 98 Cb -0.20 -3.03 0.01 0.00 -1.68 0.00 0.00 37.83 32.93 2gbw s LYS 98 CO 0.56 0.60 0.11 -1.50 -0.76 0.00 0.00 175.35 174.35 2gbw s ILE 99 N -1.36 0.02 -0.01 2.17 2.07 -1.26 -1.82 121.20 121.00 2gbw s ILE 99 Ca 0.31 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 2gbw s ILE 99 Cb -0.13 -0.20 0.02 0.00 0.13 0.00 0.00 42.46 42.27 2gbw s ILE 99 CO 0.18 -0.08 0.02 -0.60 -1.91 0.00 0.00 174.94 172.55 2gbw s ARG 100 N -0.20 0.00 -0.05 3.50 3.52 0.31 -4.74 118.95 121.29 2gbw s ARG 100 Ca -0.03 0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 2gbw s ARG 100 Cb -0.02 -0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 2gbw s ARG 100 CO 0.00 -0.11 -0.14 0.71 -0.81 0.00 0.00 175.30 174.95 2gbw s TYR 101 N 0.70 2.70 -0.29 5.12 1.51 -1.26 -1.17 117.35 124.66 2gbw s TYR 101 Ca -0.06 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 2gbw s TYR 101 Cb -0.09 -1.63 0.08 0.00 -0.11 0.00 0.00 41.96 40.21 2gbw s TYR 101 CO -0.02 0.19 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.53 2gbw s PHE 102 N -0.73 3.22 -0.19 2.71 0.40 0.57 -5.00 117.98 118.96 2gbw s PHE 102 Ca 0.11 -2.47 -0.08 0.00 -0.60 0.00 0.00 56.93 53.89 2gbw s PHE 102 Cb -0.11 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 2gbw s PHE 102 CO 0.00 -0.89 0.08 0.08 0.70 0.00 0.00 175.22 175.20 2gbw s VAL 103 N 1.10 4.95 0.08 -0.44 1.01 -1.26 -1.20 120.40 124.64 2gbw s VAL 103 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2gbw s VAL 103 Cb -0.19 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2gbw s VAL 103 CO -0.08 0.45 0.04 -0.55 0.00 0.00 0.00 175.10 174.96 2gbw s SER 104 N 0.42 0.36 -1.28 3.32 0.15 -0.40 -4.94 113.70 111.34 2gbw s SER 104 Ca 0.04 -1.01 -0.08 0.00 0.70 0.00 0.00 55.95 55.61 2gbw s SER 104 Cb -0.12 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2gbw s SER 104 CO -0.00 -0.67 1.12 -3.20 1.20 0.00 0.00 173.24 171.69 2gbw n ASN 105 N 0.01 -5.85 -4.65 5.45 5.15 -1.26 -0.33 115.26 113.78 2gbw n ASN 105 Ca -0.11 -0.52 -0.43 0.00 -0.60 0.00 0.00 54.58 52.92 2gbw n ASN 105 Cb 0.62 -4.83 -0.02 0.00 -0.53 0.00 0.00 39.78 35.02 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 -3.31 4.08 -0.09 3.44 1.01 -1.25 -4.10 120.40 120.19 2gbw s VAL 106 Ca 0.51 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.77 2gbw s VAL 106 Cb -0.23 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2gbw s VAL 106 CO 0.69 -0.23 -0.05 -1.61 0.00 0.00 0.00 175.10 173.90 2gbw s GLU 107 N 3.89 1.16 0.12 2.72 2.02 -0.04 -4.99 118.70 123.58 2gbw s GLU 107 Ca 0.60 -0.14 0.10 0.00 0.02 0.00 0.00 54.97 55.55 2gbw s GLU 107 Cb -0.22 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 2gbw s GLU 107 CO 0.20 -0.22 -0.24 0.00 0.02 0.00 0.00 175.26 175.02 2gbw s ALA 108 N 1.56 2.46 -0.02 5.21 0.00 -1.26 -0.74 121.76 128.96 2gbw s ALA 108 Ca 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.55 2gbw s ALA 108 Cb -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.54 2gbw s ALA 108 CO -0.05 0.55 -0.03 -0.06 0.00 0.00 0.00 175.76 176.18 2gbw s PHE 109 N -1.07 0.45 0.08 0.00 0.40 0.70 -1.59 117.98 116.94 2gbw s PHE 109 Ca 0.15 -0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 56.10 2gbw s PHE 109 Cb -0.10 -0.41 -0.08 0.00 0.51 0.00 0.00 43.02 42.95 2gbw s PHE 109 CO 0.07 -0.09 1.48 -1.21 0.70 0.00 0.00 175.22 176.17 2gbw s GLU 110 N 0.55 4.26 0.00 0.44 0.41 -0.09 -1.41 118.70 122.86 2gbw s GLU 110 Ca -0.06 2.15 0.00 0.00 -0.41 0.00 0.00 54.97 56.65 2gbw s GLU 110 Cb -0.09 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.84 2gbw s GLU 110 CO -0.01 -0.57 0.00 0.00 -0.49 0.00 0.00 175.26 174.19 2gbw n ALA 111 N 4.77 0.00 -1.78 5.21 0.00 0.38 -4.28 120.51 124.80 2gbw n ALA 111 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 2gbw n ALA 111 Cb 0.42 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.91 2gbw n ALA 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gbw s GLY 112 N -0.56 1.64 -1.46 0.00 0.00 -1.26 -4.50 107.32 101.19 2gbw s GLY 112 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 44.72 44.41 2gbw s GLY 112 CO 0.00 0.14 0.93 -2.01 0.00 0.00 0.00 173.10 172.16 2gbw n ASN 113 N -3.05 -5.59 -0.01 1.64 5.15 -1.26 -0.63 115.26 111.51 2gbw n ASN 113 Ca 0.07 -0.55 -0.00 0.00 -0.60 0.00 0.00 54.58 53.50 2gbw n ASN 113 Cb 0.56 -4.46 -0.00 0.00 -0.53 0.00 0.00 39.78 35.35 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 -1.72 0.37 3.94 8.20 0.00 -1.26 -5.01 105.19 109.71 2gbw n GLY 114 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.63 3.49 -0.03 1.61 2.02 0.19 -3.71 118.70 121.65 2gbw s GLU 115 Ca 0.00 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.61 2gbw s GLU 115 Cb 0.00 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 2gbw s GLU 115 CO 0.00 0.31 -0.15 -0.51 0.02 0.00 0.00 175.26 174.92 2gbw s LEU 116 N -3.85 1.93 -0.24 1.80 1.43 -0.02 -0.47 118.68 119.25 2gbw s LEU 116 Ca 0.38 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 2gbw s LEU 116 Cb -0.10 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 2gbw s LEU 116 CO 0.32 0.15 0.16 -1.81 0.23 0.00 0.00 176.35 175.40 2gbw s ASP 117 N -0.07 6.10 -0.07 2.29 1.01 -0.50 -1.26 116.67 124.17 2gbw s ASP 117 Ca -0.00 0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.36 2gbw s ASP 117 Cb -0.09 -2.10 0.02 0.00 1.01 0.00 0.00 42.92 41.75 2gbw s ASP 117 CO 0.01 0.06 -0.08 -0.69 0.21 0.00 0.00 175.17 174.67 2gbw s VAL 118 N 1.12 0.89 0.01 -1.27 1.01 -0.14 -0.22 120.40 121.80 2gbw s VAL 118 Ca 0.07 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2gbw s VAL 118 Cb -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2gbw s VAL 118 CO 0.05 0.31 -0.06 -0.76 0.00 0.00 0.00 175.10 174.65 2gbw s LEU 119 N 1.05 3.21 -0.17 3.92 1.43 0.08 -0.83 118.68 127.38 2gbw s LEU 119 Ca -0.08 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.72 2gbw s LEU 119 Cb -0.14 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.27 2gbw s LEU 119 CO -0.00 0.27 0.45 -0.55 0.23 0.00 0.00 176.35 176.75 2gbw s SER 120 N -1.51 -0.46 -0.02 2.29 0.15 -0.96 -0.86 113.70 112.32 2gbw s SER 120 Ca 0.18 0.89 -0.10 0.00 0.70 0.00 0.00 55.95 57.62 2gbw s SER 120 Cb -0.11 0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 65.05 2gbw s SER 120 CO 0.09 -0.16 0.30 0.20 1.20 0.00 0.00 173.24 174.86 2gbw s ASN 121 N 0.20 6.60 -0.05 5.45 0.01 0.55 -0.99 114.94 126.71 2gbw s ASN 121 Ca -0.00 0.72 0.02 0.00 -0.71 0.00 0.00 52.86 52.88 2gbw s ASN 121 Cb -0.03 -2.16 0.02 0.00 0.41 0.00 0.00 41.25 39.49 2gbw s ASN 121 CO 0.01 0.32 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.21 2gbw s ILE 122 N -1.15 0.72 -0.13 0.60 1.01 0.13 -1.27 121.20 121.11 2gbw s ILE 122 Ca 0.23 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2gbw s ILE 122 Cb -0.14 -0.70 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 2gbw s ILE 122 CO 0.12 0.26 -0.17 -0.22 0.00 0.00 0.00 174.94 174.92 2gbw s LEU 123 N 0.75 2.42 -0.18 2.97 2.96 -0.34 -0.78 118.68 126.47 2gbw s LEU 123 Ca -0.12 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2gbw s LEU 123 Cb -0.14 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.04 2gbw s LEU 123 CO 0.01 0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.29 2gbw s VAL 124 N 0.58 1.96 -0.23 1.68 1.01 0.78 -0.31 120.40 125.87 2gbw s VAL 124 Ca -0.10 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 2gbw s VAL 124 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2gbw s VAL 124 CO 0.04 0.49 0.05 -0.31 0.00 0.00 0.00 175.10 175.36 2gbw s TYR 125 N 1.32 3.07 -0.06 5.22 1.51 -0.32 -0.79 117.35 127.31 2gbw s TYR 125 Ca 0.04 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.72 2gbw s TYR 125 Cb -0.13 -2.19 -0.01 0.00 -0.11 0.00 0.00 41.96 39.52 2gbw s TYR 125 CO -0.12 -0.32 -0.24 1.03 -1.11 0.00 0.00 175.55 174.78 2gbw s ARG 126 N 1.42 2.57 0.00 -0.62 0.52 0.06 -0.53 118.95 122.38 2gbw s ARG 126 Ca 0.05 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 2gbw s ARG 126 Cb -0.15 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.13 2gbw s ARG 126 CO 0.03 0.38 -0.12 -0.80 0.02 0.00 0.00 175.30 174.81 2gbw s ASN 127 N -0.17 1.43 0.20 0.23 0.01 -0.75 -1.05 114.94 114.83 2gbw s ASN 127 Ca -0.03 -0.27 -0.12 0.00 -0.71 0.00 0.00 52.86 51.73 2gbw s ASN 127 Cb -0.14 -0.14 -0.00 0.00 0.41 0.00 0.00 41.25 41.38 2gbw s ASN 127 CO 0.04 0.12 0.39 0.00 -1.51 0.00 0.00 177.10 176.13 2gbw s ARG 128 N -0.48 1.33 3.68 -0.60 1.70 -0.84 -0.59 118.95 123.15 2gbw s ARG 128 Ca 0.04 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 2gbw s ARG 128 Cb -0.05 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 2gbw s ARG 128 CO -0.00 -0.53 0.00 0.54 -1.08 0.00 0.00 175.30 174.23 2gbw n ARG 129 N -0.30 0.00 -0.13 3.89 5.12 -1.26 -2.56 116.66 121.42 2gbw n ARG 129 Ca -0.06 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.59 2gbw n ARG 129 Cb 0.63 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.82 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 0.59 0.00 5.56 1.13 -1.26 -4.77 117.38 132.63 2gbw n GLN 130 Ca 0.00 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 2gbw n GLN 130 Cb 0.00 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 28.79 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 -4.28 0.29 -2.44 5.09 -2.24 -1.25 -5.06 114.28 104.39 2gbw n THR 131 Ca -0.48 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.35 2gbw n THR 131 Cb 0.84 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.29 4.38 -0.02 -0.78 2.12 -1.06 -4.99 118.70 118.06 2gbw s GLU 132 Ca 0.00 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.05 2gbw s GLU 132 Cb 0.00 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.93 2gbw s GLU 132 CO 0.00 -0.37 0.00 0.08 -0.54 0.00 0.00 175.26 174.43 2gbw s VAL 133 N 1.76 0.12 0.03 3.70 1.01 -1.26 -1.99 120.40 123.77 2gbw s VAL 133 Ca 0.57 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2gbw s VAL 133 Cb -0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 2gbw s VAL 133 CO 0.25 0.11 -0.04 0.42 0.00 0.00 0.00 175.10 175.84 2gbw s THR 134 N 0.77 0.19 -0.03 3.92 -4.23 -0.22 -5.01 115.64 111.04 2gbw s THR 134 Ca -0.07 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2gbw s THR 134 Cb -0.10 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 73.19 2gbw s THR 134 CO -0.02 -0.59 0.05 -0.69 -0.54 0.00 0.00 174.62 172.83 2gbw s VAL 135 N -1.98 -0.05 -0.02 2.29 1.01 -1.26 -0.76 120.40 119.63 2gbw s VAL 135 Ca -0.10 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2gbw s VAL 135 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 2gbw s VAL 135 CO -0.03 0.07 -0.11 -1.00 0.00 0.00 0.00 175.10 174.04 2gbw s HIS 136 N 0.94 1.03 0.03 5.22 3.76 0.03 -4.96 115.29 121.33 2gbw s HIS 136 Ca -0.08 -0.22 0.06 0.00 -0.15 0.00 0.00 55.06 54.67 2gbw s HIS 136 Cb -0.11 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 2gbw s HIS 136 CO -0.03 -0.05 -0.15 0.95 -0.85 0.00 0.00 174.74 174.60 2gbw s THR 137 N -0.08 3.00 0.15 1.30 -4.23 -1.26 -0.15 115.64 114.36 2gbw s THR 137 Ca 0.01 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.33 2gbw s THR 137 Cb -0.06 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.53 2gbw s THR 137 CO 0.00 0.37 0.38 -1.48 -0.54 0.00 0.00 174.62 173.34 2gbw s LEU 138 N -1.39 0.60 -0.02 4.79 2.34 0.04 -2.49 118.68 122.55 2gbw s LEU 138 Ca 0.15 -0.57 -0.10 0.00 0.06 0.00 0.00 54.13 53.67 2gbw s LEU 138 Cb -0.11 1.64 -0.05 0.00 -0.56 0.00 0.00 46.19 47.12 2gbw s LEU 138 CO 0.05 -0.91 0.30 -0.83 -1.06 0.00 0.00 176.35 173.90 2gbw s GLY 139 N -2.88 2.31 -0.09 -3.48 0.00 -0.31 -0.69 107.32 102.18 2gbw s GLY 139 Ca 0.09 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.38 2gbw s GLY 139 CO -0.06 -0.18 -0.16 -1.60 0.00 0.00 0.00 173.10 171.10 2gbw s ARG 140 N -1.38 3.00 -0.29 2.90 3.52 -0.17 -0.57 118.95 125.96 2gbw s ARG 140 Ca 0.24 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 2gbw s ARG 140 Cb -0.14 -2.46 0.08 0.00 -1.56 0.00 0.00 34.95 30.86 2gbw s ARG 140 CO 0.12 0.34 -0.01 -1.21 -0.81 0.00 0.00 175.30 173.74 2gbw s GLU 141 N -0.01 1.61 0.05 5.12 2.02 0.11 -2.26 118.70 125.33 2gbw s GLU 141 Ca -0.05 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 53.55 2gbw s GLU 141 Cb -0.14 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2gbw s GLU 141 CO 0.04 -0.76 0.11 -0.51 0.02 0.00 0.00 175.26 174.17 2gbw s ASP 142 N 1.17 5.80 -0.23 -0.19 1.01 -0.01 -1.15 116.67 123.08 2gbw s ASP 142 Ca 0.01 0.12 -0.04 0.00 0.71 0.00 0.00 52.55 53.35 2gbw s ASP 142 Cb -0.19 -1.66 -0.01 0.00 1.01 0.00 0.00 42.92 42.07 2gbw s ASP 142 CO -0.09 0.20 -0.03 -0.54 0.21 0.00 0.00 175.17 174.92 2gbw s LYS 143 N -2.21 3.35 0.23 8.23 1.02 -0.44 -0.96 119.74 128.96 2gbw s LYS 143 Ca 0.29 -0.65 0.08 0.00 0.02 0.00 0.00 55.97 55.71 2gbw s LYS 143 Cb -0.12 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2gbw s LYS 143 CO 0.21 -0.22 0.06 -0.51 -0.92 0.00 0.00 175.35 173.97 2gbw s LEU 144 N 1.48 3.42 0.07 3.17 1.43 -0.39 -0.99 118.68 126.87 2gbw s LEU 144 Ca 0.05 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2gbw s LEU 144 Cb -0.14 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2gbw s LEU 144 CO -0.03 0.02 -0.13 0.00 0.23 0.00 0.00 176.35 176.44 2gbw s ARG 145 N -3.49 0.77 0.42 1.70 1.70 -0.61 -0.84 118.95 118.61 2gbw s ARG 145 Ca 0.31 -0.93 -0.25 0.00 -0.47 0.00 0.00 55.73 54.38 2gbw s ARG 145 Cb -0.08 -0.71 -0.08 0.00 -0.57 0.00 0.00 34.95 33.51 2gbw s ARG 145 CO 0.21 0.15 1.26 1.03 -1.08 0.00 0.00 175.30 176.87 2gbw s ARG 146 N -1.79 3.88 -0.44 3.89 3.00 -1.24 -1.32 118.95 124.93 2gbw s ARG 146 Ca -0.03 2.04 0.04 0.00 0.00 0.00 0.00 55.73 57.78 2gbw s ARG 146 Cb -0.10 -2.65 0.18 0.00 0.00 0.00 0.00 34.95 32.38 2gbw s ARG 146 CO 0.02 -0.52 0.37 -3.47 0.00 0.00 0.00 175.30 171.70 2gbw n ASP 147 N -0.07 -0.05 -4.55 0.23 -0.08 0.42 -4.75 116.55 107.70 2gbw n ASP 147 Ca 0.05 -2.49 -0.43 0.00 -1.51 0.00 0.00 54.79 50.41 2gbw n ASP 147 Cb 0.45 -0.58 -0.00 0.00 2.34 0.00 0.00 41.12 43.33 2gbw n ASP 147 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2gbw n GLY 148 N 2.64 -0.63 1.95 0.27 0.00 -1.26 -1.47 105.19 106.68 2gbw n GLY 148 Ca 0.28 0.19 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 2gbw n GLY 148 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gbw n ASN 149 N 1.01 4.74 0.00 1.61 0.23 -1.26 -4.98 115.26 116.60 2gbw n ASN 149 Ca 0.10 -3.24 0.00 0.00 -0.53 0.00 0.00 54.58 50.91 2gbw n ASN 149 Cb 0.36 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 2gbw n ASN 149 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gbw n GLY 150 N -0.21 2.79 3.16 4.83 0.00 -0.54 -5.10 105.19 110.11 2gbw n GLY 150 Ca 0.41 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 2.55 0.42 -0.01 1.61 0.40 -1.26 -0.44 117.98 121.26 2gbw s PHE 151 Ca 0.00 -0.89 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 2gbw s PHE 151 Cb 0.00 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.27 2gbw s PHE 151 CO 0.00 -0.49 -0.08 0.15 0.70 0.00 0.00 175.22 175.51 2gbw s LYS 152 N -3.92 0.63 0.03 0.44 1.02 -0.44 -4.63 119.74 112.88 2gbw s LYS 152 Ca 0.09 -0.29 -0.27 0.00 0.02 0.00 0.00 55.97 55.52 2gbw s LYS 152 Cb 0.06 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2gbw s LYS 152 CO -0.08 0.17 0.86 0.54 -0.92 0.00 0.00 175.35 175.91 2gbw s VAL 153 N -0.20 4.76 -0.12 3.17 0.11 -0.58 -1.57 120.40 125.96 2gbw s VAL 153 Ca 0.03 1.81 0.02 0.00 -2.93 0.00 0.00 61.98 60.92 2gbw s VAL 153 Cb -0.03 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.59 2gbw s VAL 153 CO -0.00 0.28 0.14 2.22 -3.33 0.00 0.00 175.10 174.41 2gbw n PHE 154 N 3.24 0.00 -3.75 1.54 -1.74 -0.16 -1.16 117.46 115.42 2gbw n PHE 154 Ca 0.01 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.78 2gbw n PHE 154 Cb 0.50 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.38 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 -1.12 0.23 -0.05 3.97 0.52 -1.12 -2.50 118.95 118.88 2gbw s ARG 155 Ca 0.01 0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 55.66 2gbw s ARG 155 Cb 0.02 -0.02 0.03 0.00 0.52 0.00 0.00 34.95 35.49 2gbw s ARG 155 CO 0.09 -0.11 0.01 0.50 0.02 0.00 0.00 175.30 175.80 2gbw s ARG 156 N 0.80 0.41 -0.13 3.54 3.52 -0.53 -1.33 118.95 125.24 2gbw s ARG 156 Ca -0.06 0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.71 2gbw s ARG 156 Cb -0.07 -0.75 0.00 0.00 -1.56 0.00 0.00 34.95 32.57 2gbw s ARG 156 CO -0.05 -0.25 -0.21 0.21 -0.81 0.00 0.00 175.30 174.19 2gbw s LYS 157 N 1.71 3.09 -0.14 5.12 2.20 -0.30 -1.04 119.74 130.39 2gbw s LYS 157 Ca 0.00 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 2gbw s LYS 157 Cb -0.13 -2.44 -0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2gbw s LYS 157 CO -0.04 0.07 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.33 2gbw s LEU 158 N 0.64 2.38 -0.36 5.43 1.43 0.23 -0.71 118.68 127.71 2gbw s LEU 158 Ca -0.11 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2gbw s LEU 158 Cb -0.16 -1.52 0.08 0.00 0.03 0.00 0.00 46.19 44.62 2gbw s LEU 158 CO 0.02 0.11 0.11 -0.63 0.23 0.00 0.00 176.35 176.20 2gbw s ILE 159 N 0.64 3.14 0.29 -0.59 1.09 0.26 -3.88 121.20 122.15 2gbw s ILE 159 Ca -0.09 -1.77 -0.29 0.00 -1.10 0.00 0.00 60.65 57.39 2gbw s ILE 159 Cb -0.16 -3.01 -0.10 0.00 -1.06 0.00 0.00 42.46 38.13 2gbw s ILE 159 CO 0.02 -0.44 1.20 -0.76 -0.10 0.00 0.00 174.94 174.87 2gbw s LEU 160 N 1.18 4.49 0.09 2.97 1.02 -1.26 -1.16 118.68 126.01 2gbw s LEU 160 Ca 0.03 2.45 0.06 0.00 0.02 0.00 0.00 54.13 56.69 2gbw s LEU 160 Cb -0.21 -3.63 -0.23 0.00 0.02 0.00 0.00 46.19 42.14 2gbw s LEU 160 CO -0.03 -0.34 1.18 0.44 0.02 0.00 0.00 176.35 177.62 2gbw h ASP 161 N 3.79 0.08 -3.15 2.29 3.32 -1.88 -3.46 116.42 117.41 2gbw h ASP 161 Ca -0.47 -0.09 -0.60 0.00 0.02 0.00 0.00 57.03 55.89 2gbw h ASP 161 Cb 1.22 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 2gbw h ASP 161 CO 0.67 1.07 -0.31 0.00 -1.72 0.00 0.00 179.24 178.95 2gbw s ALA 162 N -2.69 3.65 0.05 3.45 0.00 -1.26 -4.99 121.76 119.96 2gbw s ALA 162 Ca -0.01 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.35 2gbw s ALA 162 Cb 0.09 -2.35 -0.14 0.00 0.00 0.00 0.00 23.12 20.72 2gbw s ALA 162 CO 0.83 0.24 1.33 -0.09 0.00 0.00 0.00 175.76 178.07 2gbw h ARG 163 N 6.02 0.45 -4.86 0.00 9.65 -1.91 -3.40 114.38 120.33 2gbw h ARG 163 Ca -0.45 -0.26 -0.66 0.00 -1.10 0.00 0.00 59.98 57.50 2gbw h ARG 163 Cb 1.19 0.02 -0.21 0.00 -1.39 0.00 0.00 29.97 29.58 2gbw h ARG 163 CO 0.70 0.85 -0.57 0.08 2.80 0.00 0.00 179.97 183.84 2gbw s VAL 164 N -4.17 4.69 -0.10 0.20 1.01 -1.26 -5.05 120.40 115.72 2gbw s VAL 164 Ca -0.14 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2gbw s VAL 164 Cb 0.06 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2gbw s VAL 164 CO 0.78 0.19 1.21 -0.89 0.00 0.00 0.00 175.10 176.39 2gbw s THR 165 N 1.65 4.29 -1.13 3.92 2.01 -1.26 -4.94 115.64 120.18 2gbw s THR 165 Ca 0.06 1.60 -0.04 0.00 0.31 0.00 0.00 61.69 63.62 2gbw s THR 165 Cb -0.16 -4.03 0.26 0.00 0.01 0.00 0.00 72.50 68.58 2gbw s THR 165 CO 0.07 -0.05 1.79 0.00 -0.69 0.00 0.00 174.62 175.74 2gbw n GLN 166 N 5.64 4.71 -3.51 4.92 6.02 -1.26 -4.89 117.38 129.02 2gbw n GLN 166 Ca 0.12 -4.29 -0.13 0.00 -0.01 0.00 0.00 57.00 52.69 2gbw n GLN 166 Cb 0.46 -2.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.10 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 -0.95 -0.51 0.27 1.08 -1.08 -1.26 -4.75 116.67 109.47 2gbw s ASP 167 Ca 0.38 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 2gbw s ASP 167 Cb 0.12 0.47 0.54 0.00 -1.46 0.00 0.00 42.92 42.59 2gbw s ASP 167 CO -0.02 -0.63 1.80 0.11 0.52 0.00 0.00 175.17 176.96 2gbw h LYS 168 N 2.47 0.80 -3.33 4.34 1.57 -2.02 -3.46 116.57 116.95 2gbw h LYS 168 Ca -0.26 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 2gbw h LYS 168 Cb 1.20 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 2gbw h LYS 168 CO 0.35 0.53 0.10 0.54 -0.57 0.00 0.00 179.45 180.40 2gbw s ASN 169 N -5.56 0.07 -0.31 0.86 2.20 -1.26 -5.03 114.94 105.90 2gbw s ASN 169 Ca -0.12 -1.01 0.07 0.00 -0.94 0.00 0.00 52.86 50.85 2gbw s ASN 169 Cb 0.22 0.73 0.46 0.00 -2.00 0.00 0.00 41.25 40.66 2gbw s ASN 169 CO 0.79 -1.42 1.25 0.18 -2.94 0.00 0.00 177.10 174.97 2gbw n LEU 170 N -0.49 5.00 -3.79 3.54 4.77 -1.26 -4.95 117.00 119.82 2gbw n LEU 170 Ca -0.04 -4.67 -0.42 0.00 -0.03 0.00 0.00 56.01 50.85 2gbw n LEU 170 Cb 0.60 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2gbw n LEU 170 CO 0.23 2.02 2.19 0.00 -1.33 0.00 0.00 177.39 180.51 2gbw n TYR 171 N -0.75 3.01 -3.71 -1.77 4.19 -1.26 -4.83 117.16 112.03 2gbw n TYR 171 Ca 0.44 -2.84 -0.14 0.00 3.31 0.00 0.00 57.90 58.68 2gbw n TYR 171 Cb 0.94 -2.08 -0.08 0.00 0.49 0.00 0.00 39.34 38.61 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 0.90 -0.25 0.29 2.98 -0.12 -1.26 -5.15 117.98 115.37 2gbw s PHE 172 Ca 0.43 0.34 -0.10 0.00 -0.05 0.00 0.00 56.93 57.56 2gbw s PHE 172 Cb 0.12 0.15 -0.07 0.00 -0.63 0.00 0.00 43.02 42.59 2gbw s PHE 172 CO -0.02 -0.46 0.62 -0.06 -0.05 0.00 0.00 175.22 175.25 2gbw s PHE 173 N -1.59 3.43 0.00 3.49 0.08 -1.26 -5.21 117.98 116.92 2gbw s PHE 173 Ca -0.11 0.92 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2gbw s PHE 173 Cb -0.03 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 2gbw s PHE 173 CO 0.03 0.16 0.25 0.00 -0.10 0.00 0.00 175.22 175.56