#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 4.24 0.72 5.09 -1.09 -1.26 -4.95 121.20 123.95 2gbw s ILE 6 Ca 0.00 1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 59.47 2gbw s ILE 6 Cb 0.00 -4.59 0.03 0.00 -1.58 0.00 0.00 42.46 36.33 2gbw s ILE 6 CO 0.00 -0.98 1.22 -2.84 -1.23 0.00 0.00 174.94 171.11 2gbw s PRO 7 N 4.37 2.19 0.72 2.79 0.02 -1.26 -0.28 135.00 143.55 2gbw s PRO 7 Ca 0.47 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 2gbw s PRO 7 Cb -0.08 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.63 2gbw s PRO 7 CO 0.31 -1.80 1.07 0.14 -0.33 0.00 0.00 177.00 176.38 2gbw s VAL 8 N -1.91 3.81 0.76 3.83 -7.23 -0.72 -4.71 120.40 114.23 2gbw s VAL 8 Ca 0.75 0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 61.39 2gbw s VAL 8 Cb -0.30 -3.27 0.06 0.00 0.56 0.00 0.00 36.38 33.43 2gbw s VAL 8 CO 0.44 -0.77 1.11 0.42 -0.31 0.00 0.00 175.10 176.00 2gbw s THR 9 N -3.02 3.05 0.28 5.32 -4.23 -1.26 -4.78 115.64 111.00 2gbw s THR 9 Ca 0.59 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 2gbw s THR 9 Cb -0.15 -2.81 0.28 0.00 1.34 0.00 0.00 72.50 71.16 2gbw s THR 9 CO 0.55 -0.40 1.84 -0.65 -0.54 0.00 0.00 174.62 175.42 2gbw h PRO 10 N -0.92 0.99 -0.68 3.99 0.11 -1.98 0.20 132.00 133.71 2gbw h PRO 10 Ca -0.44 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2gbw h PRO 10 Cb 1.24 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2gbw h PRO 10 CO 0.50 0.66 0.21 -0.44 -0.21 0.00 0.00 178.00 178.72 2gbw h ASP 11 N 1.02 0.99 -0.29 -2.05 3.32 -2.00 0.03 116.42 117.45 2gbw h ASP 11 Ca 0.49 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 57.16 2gbw h ASP 11 Cb 0.45 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2gbw h ASP 11 CO -0.25 0.94 -0.49 0.58 -1.72 0.00 0.00 179.24 178.30 2gbw h VAL 12 N 1.00 1.28 -0.52 -1.35 2.07 -1.80 -2.23 116.25 114.70 2gbw h VAL 12 Ca 0.22 -1.67 0.10 0.00 0.82 0.00 0.00 66.70 66.17 2gbw h VAL 12 Cb 0.30 1.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 2gbw h VAL 12 CO -0.01 0.55 -0.05 -0.74 0.02 0.00 0.00 177.57 177.33 2gbw h HIS 13 N 0.63 -0.14 -0.63 1.57 -0.00 -0.35 -1.46 115.15 114.77 2gbw h HIS 13 Ca 0.02 0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2gbw h HIS 13 Cb 1.09 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 28.59 2gbw h HIS 13 CO 0.07 -0.17 0.34 -0.92 -0.00 0.00 0.00 177.93 177.26 2gbw h TYR 14 N 0.06 0.62 -0.32 5.26 3.20 -0.79 -1.65 116.97 123.36 2gbw h TYR 14 Ca 0.26 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 2gbw h TYR 14 Cb 0.40 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2gbw h TYR 14 CO -0.37 0.29 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.93 2gbw h ASP 15 N 0.63 0.50 -0.22 -2.11 3.32 -0.75 -0.25 116.42 117.54 2gbw h ASP 15 Ca 0.28 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 2gbw h ASP 15 Cb 0.18 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2gbw h ASP 15 CO -0.18 0.62 -0.29 0.40 -1.72 0.00 0.00 179.24 178.07 2gbw h ILE 16 N 0.49 1.32 -0.57 0.35 2.04 -0.89 -1.45 117.51 118.81 2gbw h ILE 16 Ca 0.10 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.51 2gbw h ILE 16 Cb 0.43 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2gbw h ILE 16 CO 0.02 0.46 0.33 -0.33 0.00 0.00 0.00 178.15 178.63 2gbw h GLU 17 N 0.27 0.63 -0.74 2.37 4.39 -0.92 -1.07 114.58 119.52 2gbw h GLU 17 Ca 0.03 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2gbw h GLU 17 Cb 0.86 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2gbw h GLU 17 CO 0.07 0.42 0.38 0.00 -1.16 0.00 0.00 179.01 178.71 2gbw h ALA 18 N 1.26 0.95 -0.14 3.43 0.00 -0.97 0.94 119.26 124.74 2gbw h ALA 18 Ca 0.23 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2gbw h ALA 18 Cb 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2gbw h ALA 18 CO -0.11 0.50 -0.09 1.25 0.00 0.00 0.00 179.25 180.80 2gbw h HIS 19 N 1.04 -0.21 -0.89 0.00 -0.00 -1.00 -1.52 115.15 112.56 2gbw h HIS 19 Ca 0.26 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.62 2gbw h HIS 19 Cb 0.09 0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 2gbw h HIS 19 CO 0.00 -0.14 0.47 1.88 -0.00 0.00 0.00 177.93 180.15 2gbw h TYR 20 N -0.09 1.24 -0.70 5.26 0.05 -0.91 -0.97 116.97 120.85 2gbw h TYR 20 Ca 0.08 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2gbw h TYR 20 Cb 0.21 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 2gbw h TYR 20 CO -0.22 0.86 0.25 0.00 -1.05 0.00 0.00 178.16 178.01 2gbw h ARG 21 N 1.25 1.05 -0.41 4.88 3.08 -0.63 -0.90 114.38 122.70 2gbw h ARG 21 Ca 0.31 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2gbw h ARG 21 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2gbw h ARG 21 CO -0.05 0.87 -0.25 0.00 -1.07 0.00 0.00 179.97 179.48 2gbw h ALA 22 N 1.26 0.80 0.37 0.04 0.00 -0.95 -1.55 119.26 119.23 2gbw h ALA 22 Ca 0.23 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2gbw h ALA 22 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2gbw h ALA 22 CO -0.02 0.65 -0.23 1.49 0.00 0.00 0.00 179.25 181.14 2gbw h GLU 23 N 0.72 -0.56 -0.80 0.00 4.81 -0.86 -1.08 114.58 116.82 2gbw h GLU 23 Ca 0.09 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.53 2gbw h GLU 23 Cb 0.78 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 30.18 2gbw h GLU 23 CO 0.06 -0.37 0.31 0.28 -0.73 0.00 0.00 179.01 178.56 2gbw h VAL 24 N -0.58 0.58 -0.77 0.32 2.07 -1.04 -1.01 116.25 115.82 2gbw h VAL 24 Ca -0.04 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2gbw h VAL 24 Cb 0.48 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2gbw h VAL 24 CO 0.04 0.07 0.34 -0.09 0.02 0.00 0.00 177.57 177.95 2gbw h ARG 25 N 0.41 1.11 -0.36 1.57 2.43 -0.82 -1.02 114.38 117.70 2gbw h ARG 25 Ca 0.46 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 2gbw h ARG 25 Cb 0.77 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2gbw h ARG 25 CO -0.46 0.88 -0.19 0.52 -1.51 0.00 0.00 179.97 179.20 2gbw h MET 26 N 1.10 0.69 -0.31 0.20 2.86 0.04 -2.10 114.93 117.40 2gbw h MET 26 Ca 0.26 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2gbw h MET 26 Cb 0.15 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2gbw h MET 26 CO -0.03 0.83 0.12 0.74 1.06 0.00 0.00 176.91 179.63 2gbw h PHE 27 N 0.61 0.48 0.00 -0.22 0.04 -0.73 -0.62 116.94 116.50 2gbw h PHE 27 Ca 0.09 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2gbw h PHE 27 Cb 0.66 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 2gbw h PHE 27 CO 0.03 0.46 -0.12 1.96 -0.60 0.00 0.00 178.31 180.04 2gbw h GLN 28 N 0.36 0.00 -0.13 1.51 4.20 -1.08 -2.91 115.11 117.06 2gbw h GLN 28 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2gbw h GLN 28 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2gbw h GLN 28 CO -0.01 0.12 0.00 0.25 -0.67 0.00 0.00 178.83 178.52 2gbw n THR 29 N -3.35 0.23 -1.35 -0.54 -2.24 -0.80 -4.85 114.28 101.38 2gbw n THR 29 Ca -0.00 -0.61 -0.07 0.00 -2.27 0.00 0.00 64.05 61.09 2gbw n THR 29 Cb 0.33 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.90 0.80 2.41 3.38 0.00 -0.82 -4.94 105.19 106.92 2gbw n GLY 30 Ca 0.11 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.62 4.19 0.05 1.61 6.02 -0.30 -4.74 117.38 121.58 2gbw n GLN 31 Ca -0.07 -2.95 -0.06 0.00 -0.01 0.00 0.00 57.00 53.91 2gbw n GLN 31 Cb 0.29 -2.67 0.13 0.00 1.02 0.00 0.00 30.24 29.01 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 4.67 0.47 -0.28 1.08 0.05 -1.93 -1.82 116.97 119.22 2gbw h TYR 32 Ca 0.75 -0.15 -0.08 0.00 0.05 0.00 0.00 58.73 59.30 2gbw h TYR 32 Cb 0.32 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2gbw h TYR 32 CO 1.71 0.80 -0.12 0.00 -1.05 0.00 0.00 178.16 179.49 2gbw h ARG 33 N 0.31 0.57 -0.93 4.88 3.08 -1.94 -0.29 114.38 120.07 2gbw h ARG 33 Ca 0.02 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.84 2gbw h ARG 33 Cb 0.97 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 2gbw h ARG 33 CO 0.08 0.81 0.61 0.93 -1.07 0.00 0.00 179.97 181.34 2gbw h GLU 34 N 0.31 1.19 0.45 0.04 3.07 -1.93 -1.35 114.58 116.36 2gbw h GLU 34 Ca 0.06 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2gbw h GLU 34 Cb 0.63 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2gbw h GLU 34 CO 0.04 0.79 -0.23 2.35 -1.40 0.00 0.00 179.01 180.55 2gbw h TRP 35 N 1.22 -0.61 -0.90 4.33 7.01 -1.08 -1.24 115.95 124.68 2gbw h TRP 35 Ca 0.35 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.43 2gbw h TRP 35 Cb -0.09 0.21 -0.07 0.00 -2.10 0.00 0.00 29.16 27.11 2gbw h TRP 35 CO -0.00 -0.37 0.55 1.25 -2.79 0.00 0.00 178.44 177.08 2gbw h LEU 36 N -0.63 0.83 0.28 0.65 5.85 -0.77 0.11 115.31 121.63 2gbw h LEU 36 Ca -0.06 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2gbw h LEU 36 Cb 0.50 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2gbw h LEU 36 CO 0.09 0.49 -0.14 1.56 -0.34 0.00 0.00 178.44 180.10 2gbw h GLN 37 N 0.94 -0.37 0.00 1.25 4.20 -1.22 -3.28 115.11 116.63 2gbw h GLN 37 Ca 0.42 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.16 2gbw h GLN 37 Cb 0.32 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2gbw h GLN 37 CO -0.22 -0.02 -1.08 0.41 -0.67 0.00 0.00 178.83 177.24 2gbw n GLY 38 N 0.13 -1.43 0.00 3.46 0.00 -0.47 -4.49 105.19 102.38 2gbw n GLY 38 Ca -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.65 5.47 -4.82 1.61 2.81 0.37 -4.76 117.12 115.15 2gbw n MET 39 Ca -0.00 -0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 2gbw n MET 39 Cb 0.55 -0.67 -0.17 0.00 -0.71 0.00 0.00 33.22 32.23 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 -1.34 1.75 0.51 2.03 1.01 -1.15 -1.25 120.40 121.95 2gbw s VAL 40 Ca 0.01 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 2gbw s VAL 40 Cb 0.02 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 2gbw s VAL 40 CO 0.10 0.49 1.00 0.00 0.00 0.00 0.00 175.10 176.70 2gbw s ALA 41 N 0.64 2.95 -0.05 5.51 0.00 0.02 -4.70 121.76 126.14 2gbw s ALA 41 Ca -0.13 0.35 0.31 0.00 0.00 0.00 0.00 51.96 52.49 2gbw s ALA 41 Cb -0.16 -3.17 1.32 0.00 0.00 0.00 0.00 23.12 21.10 2gbw s ALA 41 CO 0.04 -0.30 1.92 0.93 0.00 0.00 0.00 175.76 178.34 2gbw h GLU 42 N 1.13 0.00 -0.71 0.00 5.08 -1.93 -2.51 114.58 115.65 2gbw h GLU 42 Ca -0.48 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 2gbw h GLU 42 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2gbw h GLU 42 CO 0.60 0.00 0.09 -0.40 -1.00 0.00 0.00 179.01 178.30 2gbw n ASP 43 N -2.81 4.75 -4.68 1.42 5.75 -1.26 -4.44 116.55 115.28 2gbw n ASP 43 Ca 0.01 -2.87 -0.42 0.00 -0.01 0.00 0.00 54.79 51.50 2gbw n ASP 43 Cb 0.26 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.29 2.22 -4.17 2.12 0.13 -0.95 -4.86 119.36 114.14 2gbw n ILE 44 Ca 0.28 -0.50 -0.30 0.00 -1.10 0.00 0.00 62.75 61.12 2gbw n ILE 44 Cb 1.12 -1.45 -0.16 0.00 -0.84 0.00 0.00 39.64 38.30 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 -1.14 2.21 -0.26 9.51 5.65 -0.94 -4.12 115.29 126.19 2gbw s HIS 45 Ca 0.58 -1.20 -0.01 0.00 0.25 0.00 0.00 55.06 54.68 2gbw s HIS 45 Cb -0.56 -1.60 0.04 0.00 -1.18 0.00 0.00 32.58 29.27 2gbw s HIS 45 CO 0.60 -0.63 -0.06 -0.47 -0.65 0.00 0.00 174.74 173.53 2gbw s TYR 46 N 1.31 3.13 -0.05 3.88 6.14 -0.52 -1.26 117.35 129.99 2gbw s TYR 46 Ca 0.02 -1.73 -0.01 0.00 0.64 0.00 0.00 57.07 55.99 2gbw s TYR 46 Cb -0.13 -2.05 0.03 0.00 0.42 0.00 0.00 41.96 40.22 2gbw s TYR 46 CO -0.08 -0.77 0.01 -0.46 0.64 0.00 0.00 175.55 174.89 2gbw s TRP 47 N 1.28 0.42 -0.46 4.97 -0.00 0.07 -1.50 118.94 123.71 2gbw s TRP 47 Ca -0.02 -0.02 0.03 0.00 -0.00 0.00 0.00 56.10 56.09 2gbw s TRP 47 Cb -0.18 -0.58 0.13 0.00 -0.00 0.00 0.00 33.47 32.85 2gbw s TRP 47 CO -0.04 -0.21 0.25 1.41 -0.00 0.00 0.00 176.95 178.35 2gbw s MET 48 N 1.57 1.46 0.73 5.86 -2.45 -0.17 -0.73 119.30 125.58 2gbw s MET 48 Ca -0.02 -2.17 -0.13 0.00 -1.25 0.00 0.00 55.69 52.12 2gbw s MET 48 Cb -0.13 -2.58 0.04 0.00 1.25 0.00 0.00 34.83 33.41 2gbw s MET 48 CO -0.03 -1.15 1.12 -2.14 1.05 0.00 0.00 175.02 173.87 2gbw s PRO 49 N 0.18 2.36 -0.35 4.11 0.02 -1.25 -0.46 135.00 139.60 2gbw s PRO 49 Ca 0.18 1.38 -0.17 0.00 0.02 0.00 0.00 61.00 62.41 2gbw s PRO 49 Cb -0.24 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.38 2gbw s PRO 49 CO -0.00 -1.59 0.47 0.42 -0.33 0.00 0.00 177.00 175.97 2gbw s ILE 50 N -2.51 5.06 -0.25 2.83 1.01 -1.12 -4.68 121.20 121.54 2gbw s ILE 50 Ca 0.66 0.23 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 2gbw s ILE 50 Cb -0.21 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2gbw s ILE 50 CO 0.48 -0.20 0.26 -0.31 0.00 0.00 0.00 174.94 175.17 2gbw s TYR 51 N 2.29 3.29 0.42 3.97 2.02 -1.26 -4.87 117.35 123.21 2gbw s TYR 51 Ca 0.17 0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 57.15 2gbw s TYR 51 Cb -0.16 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 2gbw s TYR 51 CO 0.13 -0.06 0.69 -1.83 -1.57 0.00 0.00 175.55 172.91 2gbw s GLU 52 N 1.47 3.55 -0.28 -0.62 -1.05 -1.26 -4.93 118.70 115.58 2gbw s GLU 52 Ca 0.11 0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 54.67 2gbw s GLU 52 Cb -0.15 -2.49 0.01 0.00 -0.44 0.00 0.00 34.13 31.06 2gbw s GLU 52 CO 0.08 -0.04 1.07 -0.65 0.95 0.00 0.00 175.26 176.66 2gbw s GLN 53 N -4.45 4.15 0.10 -4.83 -1.52 -1.26 -5.03 119.66 106.82 2gbw s GLN 53 Ca 0.45 1.21 0.08 0.00 -1.95 0.00 0.00 55.36 55.15 2gbw s GLN 53 Cb -0.10 -3.70 -0.03 0.00 -0.22 0.00 0.00 33.01 28.95 2gbw s GLN 53 CO 0.40 -0.79 -0.19 1.03 -0.25 0.00 0.00 175.29 175.48 2gbw s ARG 54 N 3.48 1.07 0.48 2.91 0.52 -1.26 -5.12 118.95 121.03 2gbw s ARG 54 Ca 0.45 -1.14 -0.23 0.00 -0.52 0.00 0.00 55.73 54.30 2gbw s ARG 54 Cb -0.14 -1.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.99 2gbw s ARG 54 CO 0.12 0.29 1.25 -0.51 0.02 0.00 0.00 175.30 176.47 2gbw s LEU 55 N -1.92 4.00 0.40 2.53 1.43 -1.26 -4.92 118.68 118.95 2gbw s LEU 55 Ca 0.05 2.52 0.18 0.00 -1.03 0.00 0.00 54.13 55.85 2gbw s LEU 55 Cb -0.10 -4.19 1.09 0.00 0.03 0.00 0.00 46.19 43.03 2gbw s LEU 55 CO 0.04 -1.11 1.79 0.74 0.23 0.00 0.00 176.35 178.04 2gbw h THR 56 N 1.85 0.57 0.00 5.49 2.02 -2.04 -1.96 112.91 118.84 2gbw h THR 56 Ca -0.50 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2gbw h THR 56 Cb 1.26 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2gbw h THR 56 CO 0.60 0.07 0.00 0.08 0.37 0.00 0.00 175.52 176.64 2gbw h ARG 57 N 0.40 0.00 -6.53 6.66 0.11 -2.05 -3.43 114.38 109.54 2gbw h ARG 57 Ca 0.56 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 60.11 2gbw h ARG 57 Cb 1.42 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.53 2gbw h ARG 57 CO -0.26 0.00 0.96 0.34 0.10 0.00 0.00 179.97 181.11 2gbw s ASP 58 N -4.95 6.57 0.00 0.08 -1.08 -0.74 -4.92 116.67 111.63 2gbw s ASP 58 Ca 0.01 2.59 0.19 0.00 -0.52 0.00 0.00 52.55 54.81 2gbw s ASP 58 Cb 0.09 -2.58 0.43 0.00 -1.46 0.00 0.00 42.92 39.40 2gbw s ASP 58 CO 0.44 -0.88 1.35 0.54 0.52 0.00 0.00 175.17 177.15 2gbw n ARG 59 N 4.86 2.49 -1.90 4.34 1.74 -1.26 -4.99 116.66 121.94 2gbw n ARG 59 Ca 0.15 -2.24 -0.37 0.00 -0.77 0.00 0.00 57.85 54.62 2gbw n ARG 59 Cb 0.39 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.16 3.01 0.68 5.56 0.52 -1.26 -4.97 118.95 121.33 2gbw s ARG 60 Ca 0.35 2.01 -0.11 0.00 -0.52 0.00 0.00 55.73 57.46 2gbw s ARG 60 Cb 0.19 -2.06 -0.00 0.00 0.52 0.00 0.00 34.95 33.60 2gbw s ARG 60 CO 0.26 -1.23 1.06 -1.25 0.02 0.00 0.00 175.30 174.16 2gbw s PRO 61 N -3.14 3.03 0.80 3.54 0.04 -1.26 -5.02 135.00 132.98 2gbw s PRO 61 Ca 0.75 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 2gbw s PRO 61 Cb -0.35 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.26 2gbw s PRO 61 CO 0.39 -1.02 1.16 -0.51 0.04 0.00 0.00 177.00 177.06 2gbw s ASP 62 N -3.74 3.86 0.33 6.66 1.01 -1.26 -4.95 116.67 118.58 2gbw s ASP 62 Ca 0.58 2.19 -0.29 0.00 0.71 0.00 0.00 52.55 55.74 2gbw s ASP 62 Cb -0.14 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.11 2gbw s ASP 62 CO 0.53 -2.48 1.53 -0.81 0.21 0.00 0.00 175.17 174.15 2gbw n PRO 63 N -3.36 2.64 -3.85 8.23 -0.04 -1.26 -5.02 135.00 132.33 2gbw n PRO 63 Ca 0.12 0.93 -0.23 0.00 -0.04 0.00 0.00 63.50 64.28 2gbw n PRO 63 Cb 0.51 -2.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.25 2gbw n PRO 63 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2gbw s THR 64 N -0.55 2.33 -1.18 0.52 -4.23 -1.26 -5.02 115.64 106.26 2gbw s THR 64 Ca 0.59 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 2gbw s THR 64 Cb -0.50 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.52 2gbw s THR 64 CO 0.56 0.00 0.98 -2.65 -0.54 0.00 0.00 174.62 172.97 2gbw n PRO 65 N -1.46 0.01 -0.08 3.99 -0.02 -1.26 -1.10 135.00 135.09 2gbw n PRO 65 Ca 0.01 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 2gbw n PRO 65 Cb 0.63 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.98 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 -1.41 1.93 -4.78 2.55 2.03 -1.26 -4.91 116.55 110.70 2gbw n ASP 66 Ca 0.01 -1.72 -0.23 0.00 0.52 0.00 0.00 54.79 53.37 2gbw n ASP 66 Cb 0.02 -0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.65 4.79 0.20 1.67 1.01 -0.26 -5.07 116.67 117.36 2gbw s ASP 67 Ca 0.34 -0.79 -0.31 0.00 0.71 0.00 0.00 52.55 52.50 2gbw s ASP 67 Cb 0.19 -0.68 -0.16 0.00 1.01 0.00 0.00 42.92 43.28 2gbw s ASP 67 CO 0.28 -0.43 1.07 0.00 0.21 0.00 0.00 175.17 176.31 2gbw n ALA 68 N -1.28 -0.90 -3.31 5.23 0.00 -1.26 -4.92 120.51 114.07 2gbw n ALA 68 Ca -0.01 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 2gbw n ALA 68 Cb 0.62 -1.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.45 -1.02 0.11 0.00 0.00 -1.26 -2.78 121.76 116.35 2gbw s ALA 69 Ca 0.70 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 2gbw s ALA 69 Cb -0.84 -0.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.13 2gbw s ALA 69 CO 0.54 -0.27 1.38 0.82 0.00 0.00 0.00 175.76 178.23 2gbw h ILE 70 N 3.77 1.28 -4.24 0.00 2.04 -1.04 -3.42 117.51 115.91 2gbw h ILE 70 Ca -0.29 -1.74 -0.64 0.00 1.00 0.00 0.00 64.86 63.20 2gbw h ILE 70 Cb 1.17 1.71 -0.31 0.00 -0.74 0.00 0.00 36.82 38.66 2gbw h ILE 70 CO 0.37 0.56 -0.87 -0.31 0.00 0.00 0.00 178.15 177.91 2gbw s TYR 71 N -4.07 2.08 -0.49 1.37 1.51 -1.21 -4.96 117.35 111.58 2gbw s TYR 71 Ca -0.11 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.51 2gbw s TYR 71 Cb 0.09 -1.36 0.21 0.00 -0.11 0.00 0.00 41.96 40.80 2gbw s TYR 71 CO 0.88 -0.11 0.74 -1.71 -1.11 0.00 0.00 175.55 174.24 2gbw n ASN 72 N 2.77 -2.75 -4.22 2.29 2.85 -1.21 -1.00 115.26 113.99 2gbw n ASN 72 Ca -0.17 -2.99 -0.24 0.00 -0.11 0.00 0.00 54.58 51.07 2gbw n ASN 72 Cb 0.52 1.41 -0.14 0.00 1.24 0.00 0.00 39.78 42.82 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 -0.27 2.22 0.58 1.20 1.01 -0.56 -4.98 116.67 115.87 2gbw s ASP 73 Ca 0.31 -0.50 0.04 0.00 0.71 0.00 0.00 52.55 53.11 2gbw s ASP 73 Cb 0.10 -0.17 0.10 0.00 1.01 0.00 0.00 42.92 43.95 2gbw s ASP 73 CO -0.14 0.12 0.74 -0.90 0.21 0.00 0.00 175.17 175.20 2gbw n ASP 74 N 1.86 1.38 -0.11 0.27 5.68 -1.26 -1.44 116.55 122.94 2gbw n ASP 74 Ca -0.17 -2.07 -0.09 0.00 -0.50 0.00 0.00 54.79 51.96 2gbw n ASP 74 Cb 0.54 -0.44 -0.01 0.00 -1.14 0.00 0.00 41.12 40.07 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 -0.27 0.45 -0.65 2.11 3.57 -1.78 -0.78 116.94 119.59 2gbw h PHE 75 Ca -0.25 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.34 2gbw h PHE 75 Cb 1.00 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 2gbw h PHE 75 CO 0.00 0.28 0.43 0.78 -2.23 0.00 0.00 178.31 177.57 2gbw h GLY 76 N 0.48 0.77 1.46 2.40 0.00 -1.96 0.15 103.07 106.37 2gbw h GLY 76 Ca 0.13 -0.24 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 2gbw h GLY 76 CO -0.03 0.17 -1.01 0.83 0.00 0.00 0.00 176.54 176.49 2gbw h GLU 77 N 0.59 0.48 -0.62 4.80 5.08 -1.80 -2.03 114.58 121.07 2gbw h GLU 77 Ca 0.29 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2gbw h GLU 77 Cb 0.37 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2gbw h GLU 77 CO -0.09 1.18 0.34 1.25 -1.00 0.00 0.00 179.01 180.70 2gbw h LEU 78 N 0.26 0.77 -0.71 1.33 5.85 -0.69 -1.53 115.31 120.58 2gbw h LEU 78 Ca -0.10 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2gbw h LEU 78 Cb 1.66 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 2gbw h LEU 78 CO 0.18 0.64 0.40 0.50 -0.34 0.00 0.00 178.44 179.82 2gbw h LYS 79 N 0.84 0.70 -0.20 1.25 3.64 -0.92 0.48 116.57 122.37 2gbw h LYS 79 Ca 0.22 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2gbw h LYS 79 Cb 0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2gbw h LYS 79 CO -0.04 0.46 0.11 0.37 -2.27 0.00 0.00 179.45 178.09 2gbw h GLN 80 N 0.72 0.27 -0.61 1.90 4.15 -1.16 -2.17 115.11 118.21 2gbw h GLN 80 Ca 0.32 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.73 2gbw h GLN 80 Cb 0.22 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2gbw h GLN 80 CO -0.20 0.24 0.39 0.00 -1.93 0.00 0.00 178.83 177.33 2gbw h ARG 81 N 0.22 0.76 -0.95 1.69 3.08 -0.72 -2.99 114.38 115.48 2gbw h ARG 81 Ca 0.07 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2gbw h ARG 81 Cb 0.04 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 2gbw h ARG 81 CO -0.01 0.50 0.62 0.28 -1.07 0.00 0.00 179.97 180.29 2gbw h VAL 82 N 0.78 1.18 -0.22 2.04 2.07 -0.58 -3.08 116.25 118.45 2gbw h VAL 82 Ca 0.24 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2gbw h VAL 82 Cb -0.04 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.58 2gbw h VAL 82 CO -0.08 0.22 -0.22 -0.33 0.02 0.00 0.00 177.57 177.18 2gbw h GLU 83 N 1.21 0.39 -1.28 1.57 4.39 -1.26 -2.36 114.58 117.24 2gbw h GLU 83 Ca 0.37 -0.13 0.39 0.00 0.34 0.00 0.00 59.36 60.33 2gbw h GLU 83 Cb -0.03 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.48 2gbw h GLU 83 CO -0.11 0.59 0.84 -0.09 -1.16 0.00 0.00 179.01 179.09 2gbw h ARG 84 N 0.35 0.15 -0.04 2.33 2.43 -1.50 2.46 114.38 120.56 2gbw h ARG 84 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2gbw h ARG 84 Cb 0.59 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2gbw h ARG 84 CO 0.04 0.10 0.00 1.28 -1.51 0.00 0.00 179.97 179.88 2gbw n LEU 85 N -4.58 0.84 0.04 3.80 4.77 -0.89 -3.97 117.00 117.02 2gbw n LEU 85 Ca 0.34 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2gbw n LEU 85 Cb 1.31 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.38 2gbw n LEU 85 CO 0.25 0.15 0.00 -1.22 -1.33 0.00 0.00 177.39 175.25 2gbw n TYR 86 N -0.30 -0.31 1.49 -1.77 4.02 0.76 -4.85 117.16 116.20 2gbw n TYR 86 Ca 0.19 0.05 0.01 0.00 -0.01 0.00 0.00 57.90 58.15 2gbw n TYR 86 Cb 0.23 0.10 0.06 0.00 -0.02 0.00 0.00 39.34 39.71 2gbw n TYR 86 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2gbw n SER 87 N -3.12 0.00 -3.93 7.72 7.64 0.27 -4.65 113.62 117.56 2gbw n SER 87 Ca 0.00 -1.43 -0.17 0.00 1.01 0.00 0.00 58.87 58.28 2gbw n SER 87 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 2gbw n SER 87 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gbw s GLY 88 N -1.32 0.33 -0.65 0.23 0.00 -1.25 -4.99 107.32 99.67 2gbw s GLY 88 Ca 0.03 -0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.34 2gbw s GLY 88 CO 0.02 0.07 1.64 1.20 0.00 0.00 0.00 173.10 176.03 2gbw s GLN 89 N 0.30 2.87 -0.34 2.90 1.11 -1.26 -4.84 119.66 120.40 2gbw s GLN 89 Ca -0.03 0.33 -0.10 0.00 0.01 0.00 0.00 55.36 55.56 2gbw s GLN 89 Cb -0.07 -4.30 0.01 0.00 -1.01 0.00 0.00 33.01 27.63 2gbw s GLN 89 CO -0.00 -2.48 0.18 0.08 0.01 0.00 0.00 175.29 173.08 2gbw s VAL 90 N 7.74 4.62 0.29 1.09 1.01 -1.26 -5.00 120.40 128.88 2gbw s VAL 90 Ca 0.56 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.04 2gbw s VAL 90 Cb -0.11 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2gbw s VAL 90 CO 0.19 -0.06 1.65 -0.50 0.00 0.00 0.00 175.10 176.39 2gbw h TRP 91 N 8.39 0.12 -0.14 5.22 4.06 -1.95 -1.08 115.95 130.57 2gbw h TRP 91 Ca -0.29 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.66 2gbw h TRP 91 Cb 1.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.26 2gbw h TRP 91 CO 0.61 0.61 0.11 0.52 -3.56 0.00 0.00 178.44 176.74 2gbw h MET 92 N 0.08 0.00 -0.89 0.49 2.86 -1.96 -2.18 114.93 113.33 2gbw h MET 92 Ca -0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 2gbw h MET 92 Cb 0.97 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.42 2gbw h MET 92 CO 0.08 0.00 0.46 0.39 1.06 0.00 0.00 176.91 178.89 2gbw n GLU 93 N -4.38 2.92 -3.79 1.72 -0.58 -0.41 -4.75 120.64 111.35 2gbw n GLU 93 Ca 0.00 -2.94 -0.36 0.00 -0.42 0.00 0.00 57.16 53.45 2gbw n GLU 93 Cb 0.23 -2.17 -0.12 0.00 -0.57 0.00 0.00 31.44 28.82 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 -1.08 5.22 0.73 1.62 2.15 -0.82 -1.59 116.67 122.90 2gbw s ASP 94 Ca 0.54 -1.98 -0.09 0.00 0.43 0.00 0.00 52.55 51.46 2gbw s ASP 94 Cb 0.45 -1.82 0.06 0.00 -0.30 0.00 0.00 42.92 41.31 2gbw s ASP 94 CO 0.12 -0.52 1.07 -2.16 -0.17 0.00 0.00 175.17 173.51 2gbw s PRO 95 N 1.14 2.19 0.43 4.34 0.04 -1.26 -5.03 135.00 136.85 2gbw s PRO 95 Ca 0.07 -0.08 -0.26 0.00 0.04 0.00 0.00 61.00 60.77 2gbw s PRO 95 Cb -0.22 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2gbw s PRO 95 CO -0.04 -1.32 1.37 -2.30 0.04 0.00 0.00 177.00 174.74 2gbw n PRO 96 N -3.04 2.14 -1.06 0.56 -0.02 -0.62 -4.96 135.00 128.00 2gbw n PRO 96 Ca 0.08 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 62.02 2gbw n PRO 96 Cb 0.60 -2.52 0.15 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.47 3.24 -0.04 2.55 1.04 -1.26 -5.03 113.70 113.73 2gbw s SER 97 Ca 0.60 1.65 -0.06 0.00 0.48 0.00 0.00 55.95 58.63 2gbw s SER 97 Cb -0.48 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 2gbw s SER 97 CO 0.58 -2.81 0.20 -0.54 0.98 0.00 0.00 173.24 171.65 2gbw s LYS 98 N -4.83 3.49 -0.03 4.02 1.02 -0.30 -5.00 119.74 118.11 2gbw s LYS 98 Ca 0.64 -0.16 -0.04 0.00 0.02 0.00 0.00 55.97 56.43 2gbw s LYS 98 Cb -0.19 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2gbw s LYS 98 CO 0.58 0.71 0.11 -1.50 -0.92 0.00 0.00 175.35 174.32 2gbw s ILE 99 N -1.20 0.02 -0.01 2.17 2.07 -1.26 -1.91 121.20 121.08 2gbw s ILE 99 Ca 0.23 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2gbw s ILE 99 Cb -0.13 -0.20 0.02 0.00 0.13 0.00 0.00 42.46 42.28 2gbw s ILE 99 CO 0.13 -0.08 0.01 -0.60 -1.91 0.00 0.00 174.94 172.49 2gbw s ARG 100 N -0.22 -0.00 -0.07 3.50 3.52 0.39 -4.74 118.95 121.33 2gbw s ARG 100 Ca -0.03 0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 2gbw s ARG 100 Cb -0.02 -0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2gbw s ARG 100 CO 0.00 -0.09 -0.19 0.71 -0.81 0.00 0.00 175.30 174.92 2gbw s TYR 101 N 0.61 2.62 -0.33 5.12 1.51 -1.26 -1.30 117.35 124.32 2gbw s TYR 101 Ca -0.05 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 2gbw s TYR 101 Cb -0.07 -1.67 0.09 0.00 -0.11 0.00 0.00 41.96 40.20 2gbw s TYR 101 CO -0.02 -0.08 0.03 -0.06 -1.11 0.00 0.00 175.55 174.31 2gbw s PHE 102 N -0.23 3.64 -0.21 2.71 0.40 0.63 -4.99 117.98 119.93 2gbw s PHE 102 Ca -0.00 -2.79 -0.09 0.00 -0.60 0.00 0.00 56.93 53.44 2gbw s PHE 102 Cb -0.13 -2.74 -0.05 0.00 0.51 0.00 0.00 43.02 40.62 2gbw s PHE 102 CO 0.03 -0.93 0.11 0.08 0.70 0.00 0.00 175.22 175.21 2gbw s VAL 103 N 0.97 5.14 0.17 -0.44 1.01 -1.26 -1.00 120.40 124.99 2gbw s VAL 103 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 2gbw s VAL 103 Cb -0.20 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2gbw s VAL 103 CO -0.07 0.41 0.14 -0.55 0.00 0.00 0.00 175.10 175.03 2gbw s SER 104 N 0.64 0.19 -1.36 3.32 0.15 -0.05 -4.93 113.70 111.67 2gbw s SER 104 Ca 0.06 -1.20 -0.08 0.00 0.70 0.00 0.00 55.95 55.42 2gbw s SER 104 Cb -0.12 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2gbw s SER 104 CO 0.01 -0.82 1.15 -3.20 1.20 0.00 0.00 173.24 171.59 2gbw n ASN 105 N -0.19 -5.83 -4.67 5.45 5.15 -1.26 -0.41 115.26 113.49 2gbw n ASN 105 Ca -0.03 -0.57 -0.42 0.00 -0.60 0.00 0.00 54.58 52.96 2gbw n ASN 105 Cb 0.64 -4.96 -0.03 0.00 -0.53 0.00 0.00 39.78 34.90 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 -3.33 3.66 -0.08 3.44 1.01 -1.26 -4.19 120.40 119.67 2gbw s VAL 106 Ca 0.53 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2gbw s VAL 106 Cb -0.24 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2gbw s VAL 106 CO 0.74 -0.05 -0.06 -1.61 0.00 0.00 0.00 175.10 174.12 2gbw s GLU 107 N 3.26 1.15 0.07 2.72 2.02 -0.04 -4.99 118.70 122.88 2gbw s GLU 107 Ca 0.68 -0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.60 2gbw s GLU 107 Cb -0.32 -1.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 2gbw s GLU 107 CO 0.27 -0.17 -0.23 0.00 0.02 0.00 0.00 175.26 175.15 2gbw s ALA 108 N 1.36 2.45 -0.01 5.21 0.00 -1.26 -0.67 121.76 128.84 2gbw s ALA 108 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2gbw s ALA 108 Cb -0.14 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2gbw s ALA 108 CO -0.03 0.56 -0.00 -0.06 0.00 0.00 0.00 175.76 176.22 2gbw s PHE 109 N -0.95 0.14 0.01 0.00 0.08 0.45 -1.76 117.98 115.95 2gbw s PHE 109 Ca 0.14 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.90 2gbw s PHE 109 Cb -0.10 -0.16 -0.06 0.00 -0.57 0.00 0.00 43.02 42.13 2gbw s PHE 109 CO 0.05 -0.04 1.36 -1.21 -0.10 0.00 0.00 175.22 175.28 2gbw s GLU 110 N 0.34 4.31 0.00 0.44 0.41 0.62 -1.12 118.70 123.70 2gbw s GLU 110 Ca -0.03 1.93 0.07 0.00 -0.41 0.00 0.00 54.97 56.53 2gbw s GLU 110 Cb -0.05 -3.52 0.02 0.00 -1.78 0.00 0.00 34.13 28.80 2gbw s GLU 110 CO -0.01 -0.52 0.59 0.00 -0.49 0.00 0.00 175.26 174.83 2gbw n ALA 111 N 5.07 2.60 0.00 5.21 0.00 0.08 -4.34 120.51 129.14 2gbw n ALA 111 Ca 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2gbw n ALA 111 Cb 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 0.64 2.30 2.40 0.00 0.00 -1.24 -4.88 105.19 104.42 2gbw n GLY 112 Ca 0.03 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 -5.05 0.00 1.61 5.15 -1.26 -1.56 115.26 114.15 2gbw n ASN 113 Ca 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 2gbw n ASN 113 Cb 0.00 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 34.95 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 -0.79 0.53 3.93 8.20 0.00 -1.26 -5.01 105.19 110.79 2gbw n GLY 114 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.42 3.53 -0.07 1.61 2.02 -0.60 -4.47 118.70 120.30 2gbw s GLU 115 Ca 0.00 -0.14 0.04 0.00 0.02 0.00 0.00 54.97 54.89 2gbw s GLU 115 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.64 2gbw s GLU 115 CO 0.00 0.08 -0.18 -0.51 0.02 0.00 0.00 175.26 174.67 2gbw s LEU 116 N -4.26 1.87 -0.22 1.80 1.43 -0.29 -0.74 118.68 118.27 2gbw s LEU 116 Ca 0.42 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 2gbw s LEU 116 Cb -0.10 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2gbw s LEU 116 CO 0.37 0.12 0.29 -1.81 0.23 0.00 0.00 176.35 175.55 2gbw s ASP 117 N 0.33 6.29 -0.11 2.29 1.01 -0.27 -1.04 116.67 125.17 2gbw s ASP 117 Ca -0.12 0.33 -0.00 0.00 0.71 0.00 0.00 52.55 53.47 2gbw s ASP 117 Cb -0.15 -2.17 0.02 0.00 1.01 0.00 0.00 42.92 41.63 2gbw s ASP 117 CO 0.05 -0.02 -0.08 -0.69 0.21 0.00 0.00 175.17 174.64 2gbw s VAL 118 N 1.22 1.03 -0.06 -1.27 1.01 -0.11 -0.41 120.40 121.82 2gbw s VAL 118 Ca 0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 2gbw s VAL 118 Cb -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2gbw s VAL 118 CO 0.06 0.37 0.19 -0.76 0.00 0.00 0.00 175.10 174.96 2gbw s LEU 119 N 1.64 4.38 0.08 3.92 1.43 0.16 -0.77 118.68 129.52 2gbw s LEU 119 Ca 0.04 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.40 2gbw s LEU 119 Cb -0.13 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 43.76 2gbw s LEU 119 CO -0.08 0.33 0.47 -0.94 0.23 0.00 0.00 176.35 176.36 2gbw s SER 120 N -1.46 -0.36 -0.13 2.29 1.04 -0.81 -0.86 113.70 113.41 2gbw s SER 120 Ca 0.22 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 2gbw s SER 120 Cb -0.13 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2gbw s SER 120 CO 0.11 -0.76 0.10 0.20 0.98 0.00 0.00 173.24 173.87 2gbw s ASN 121 N -2.26 6.00 -0.06 7.02 0.01 0.45 -1.06 114.94 125.03 2gbw s ASN 121 Ca -0.03 0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.46 2gbw s ASN 121 Cb -0.00 -1.93 0.01 0.00 0.41 0.00 0.00 41.25 39.74 2gbw s ASN 121 CO -0.05 0.33 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.10 2gbw s ILE 122 N -0.58 1.24 -0.14 0.60 1.01 0.52 -0.87 121.20 122.98 2gbw s ILE 122 Ca 0.12 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2gbw s ILE 122 Cb -0.12 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 2gbw s ILE 122 CO 0.02 0.37 -0.17 -0.22 0.00 0.00 0.00 174.94 174.94 2gbw s LEU 123 N 0.49 2.39 -0.18 2.97 2.96 -0.17 -1.26 118.68 125.87 2gbw s LEU 123 Ca -0.12 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 2gbw s LEU 123 Cb -0.15 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.05 2gbw s LEU 123 CO 0.04 0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.34 2gbw s VAL 124 N 0.69 1.80 -0.18 1.68 1.01 0.09 -0.27 120.40 125.21 2gbw s VAL 124 Ca -0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2gbw s VAL 124 Cb -0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2gbw s VAL 124 CO 0.02 0.35 0.02 -0.31 0.00 0.00 0.00 175.10 175.17 2gbw s TYR 125 N 1.36 3.11 -0.03 5.22 1.51 -0.42 -0.81 117.35 127.29 2gbw s TYR 125 Ca 0.02 -0.23 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 2gbw s TYR 125 Cb -0.15 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 2gbw s TYR 125 CO -0.10 -0.06 -0.21 1.03 -1.11 0.00 0.00 175.55 175.11 2gbw s ARG 126 N 0.65 1.87 0.00 -0.62 0.52 -0.06 -0.46 118.95 120.86 2gbw s ARG 126 Ca 0.01 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 2gbw s ARG 126 Cb -0.14 -1.71 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 2gbw s ARG 126 CO 0.02 0.38 -0.11 -0.80 0.02 0.00 0.00 175.30 174.81 2gbw s ASN 127 N -0.28 1.24 0.15 0.23 -0.87 -0.80 -1.35 114.94 113.27 2gbw s ASN 127 Ca 0.02 -0.25 -0.14 0.00 -1.57 0.00 0.00 52.86 50.93 2gbw s ASN 127 Cb -0.10 -0.12 0.02 0.00 -0.02 0.00 0.00 41.25 41.03 2gbw s ASN 127 CO 0.01 0.09 0.38 0.00 -2.57 0.00 0.00 177.10 175.01 2gbw s ARG 128 N -0.48 1.16 4.11 -0.60 1.70 -0.83 -1.15 118.95 122.87 2gbw s ARG 128 Ca 0.03 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 2gbw s ARG 128 Cb -0.05 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 2gbw s ARG 128 CO -0.00 -0.45 0.00 0.54 -1.08 0.00 0.00 175.30 174.31 2gbw n ARG 129 N -0.24 0.00 -0.10 3.89 5.12 -1.26 -2.34 116.66 121.73 2gbw n ARG 129 Ca -0.12 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.63 2gbw n ARG 129 Cb 0.63 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.86 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 0.54 0.00 5.56 1.13 -1.26 -4.77 117.38 132.58 2gbw n GLN 130 Ca 0.00 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 2gbw n GLN 130 Cb 0.00 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.75 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 -4.43 0.67 -2.85 5.09 -2.24 -1.25 -5.05 114.28 104.22 2gbw n THR 131 Ca -0.29 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.36 2gbw n THR 131 Cb 0.60 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.67 4.45 -0.08 -0.78 2.12 -0.99 -5.00 118.70 117.75 2gbw s GLU 132 Ca 0.00 1.16 -0.03 0.00 0.36 0.00 0.00 54.97 56.46 2gbw s GLU 132 Cb 0.00 -3.49 0.04 0.00 0.26 0.00 0.00 34.13 30.94 2gbw s GLU 132 CO 0.00 -0.10 0.16 0.08 -0.54 0.00 0.00 175.26 174.86 2gbw s VAL 133 N 1.29 -0.12 0.07 3.70 1.01 -1.26 -1.97 120.40 123.13 2gbw s VAL 133 Ca 0.44 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.68 2gbw s VAL 133 Cb -0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2gbw s VAL 133 CO 0.20 0.09 -0.10 0.42 0.00 0.00 0.00 175.10 175.72 2gbw s THR 134 N 1.52 0.82 -0.02 3.92 -4.23 -0.46 -5.01 115.64 112.17 2gbw s THR 134 Ca -0.06 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2gbw s THR 134 Cb -0.12 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.67 2gbw s THR 134 CO -0.06 -0.45 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.83 2gbw s VAL 135 N -1.92 0.46 0.02 2.29 1.01 -1.26 -0.88 120.40 120.12 2gbw s VAL 135 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2gbw s VAL 135 Cb -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2gbw s VAL 135 CO 0.00 0.16 -0.13 -1.00 0.00 0.00 0.00 175.10 174.14 2gbw s HIS 136 N 0.31 1.13 -0.01 5.22 3.76 0.01 -4.96 115.29 120.74 2gbw s HIS 136 Ca -0.04 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.62 2gbw s HIS 136 Cb -0.07 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 32.92 2gbw s HIS 136 CO -0.00 0.01 -0.18 0.95 -0.85 0.00 0.00 174.74 174.66 2gbw s THR 137 N -0.70 1.46 0.02 1.30 -4.23 -1.26 -0.73 115.64 111.50 2gbw s THR 137 Ca 0.02 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 2gbw s THR 137 Cb -0.07 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 2gbw s THR 137 CO 0.01 0.41 0.10 -0.76 -0.54 0.00 0.00 174.62 173.83 2gbw s LEU 138 N -0.44 1.76 0.03 4.79 1.02 -0.39 -1.63 118.68 123.81 2gbw s LEU 138 Ca 0.07 -0.41 -0.10 0.00 0.02 0.00 0.00 54.13 53.72 2gbw s LEU 138 Cb -0.07 0.58 -0.05 0.00 0.02 0.00 0.00 46.19 46.66 2gbw s LEU 138 CO -0.01 -0.43 0.34 -0.83 0.02 0.00 0.00 176.35 175.44 2gbw s GLY 139 N -1.77 2.33 -0.06 -3.19 0.00 -0.51 -0.36 107.32 103.75 2gbw s GLY 139 Ca -0.10 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.24 2gbw s GLY 139 CO -0.02 -0.19 -0.20 -1.60 0.00 0.00 0.00 173.10 171.09 2gbw s ARG 140 N -1.63 2.29 -0.26 2.90 3.52 -0.23 -0.65 118.95 124.89 2gbw s ARG 140 Ca 0.28 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 2gbw s ARG 140 Cb -0.14 -1.88 0.07 0.00 -1.56 0.00 0.00 34.95 31.44 2gbw s ARG 140 CO 0.15 0.24 -0.02 -1.21 -0.81 0.00 0.00 175.30 173.65 2gbw s GLU 141 N 0.13 1.52 0.11 5.12 2.02 0.27 -1.92 118.70 125.96 2gbw s GLU 141 Ca -0.09 -1.14 0.05 0.00 0.02 0.00 0.00 54.97 53.81 2gbw s GLU 141 Cb -0.14 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2gbw s GLU 141 CO 0.04 -0.69 0.01 -0.51 0.02 0.00 0.00 175.26 174.13 2gbw s ASP 142 N 1.34 4.99 -0.20 -0.19 1.01 0.05 -0.59 116.67 123.08 2gbw s ASP 142 Ca -0.02 -0.22 -0.04 0.00 0.71 0.00 0.00 52.55 52.98 2gbw s ASP 142 Cb -0.19 -1.17 -0.02 0.00 1.01 0.00 0.00 42.92 42.56 2gbw s ASP 142 CO -0.09 0.15 -0.04 -0.54 0.21 0.00 0.00 175.17 174.87 2gbw s LYS 143 N -2.48 3.48 0.16 8.23 1.02 -0.38 -0.93 119.74 128.84 2gbw s LYS 143 Ca 0.26 -0.59 0.09 0.00 0.02 0.00 0.00 55.97 55.75 2gbw s LYS 143 Cb -0.11 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2gbw s LYS 143 CO 0.19 -0.06 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.95 2gbw s LEU 144 N 1.13 2.98 0.15 3.17 1.43 -0.21 -1.68 118.68 125.65 2gbw s LEU 144 Ca 0.02 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 2gbw s LEU 144 Cb -0.15 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2gbw s LEU 144 CO -0.00 0.12 -0.15 0.00 0.23 0.00 0.00 176.35 176.55 2gbw s ARG 145 N -2.70 1.13 0.25 1.70 1.70 -0.65 -1.13 118.95 119.25 2gbw s ARG 145 Ca 0.24 -1.35 -0.30 0.00 -0.47 0.00 0.00 55.73 53.85 2gbw s ARG 145 Cb -0.09 -1.02 -0.10 0.00 -0.57 0.00 0.00 34.95 33.17 2gbw s ARG 145 CO 0.15 0.19 1.45 1.03 -1.08 0.00 0.00 175.30 177.03 2gbw s ARG 146 N -2.93 4.26 -0.25 3.89 3.00 -1.26 -0.99 118.95 124.68 2gbw s ARG 146 Ca 0.13 2.31 -0.04 0.00 0.00 0.00 0.00 55.73 58.13 2gbw s ARG 146 Cb -0.04 -3.11 0.09 0.00 0.00 0.00 0.00 34.95 31.89 2gbw s ARG 146 CO 0.04 -0.43 0.13 0.34 0.00 0.00 0.00 175.30 175.38 2gbw s ASP 147 N 0.38 3.00 1.78 0.23 2.15 -0.07 -4.79 116.67 119.35 2gbw s ASP 147 Ca 0.60 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 52.55 2gbw s ASP 147 Cb -0.42 -0.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.96 2gbw s ASP 147 CO 0.43 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 2gbw n GLY 148 N 5.26 3.32 1.00 2.66 0.00 -1.26 -1.25 105.19 114.92 2gbw n GLY 148 Ca -0.06 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2gbw n GLY 148 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gbw n ASN 149 N 6.88 2.89 0.00 1.61 4.13 -1.26 -4.94 115.26 124.57 2gbw n ASN 149 Ca 0.00 -2.06 0.00 0.00 1.68 0.00 0.00 54.58 54.20 2gbw n ASN 149 Cb 0.00 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 2gbw n ASN 149 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gbw n GLY 150 N 1.24 5.46 3.07 7.41 0.00 -0.38 -5.14 105.19 116.85 2gbw n GLY 150 Ca 0.17 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 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 2.06 0.47 0.04 1.61 0.40 -1.25 -0.89 117.98 120.42 2gbw s PHE 151 Ca 0.00 -0.97 0.05 0.00 -0.60 0.00 0.00 56.93 55.41 2gbw s PHE 151 Cb 0.00 -0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 2gbw s PHE 151 CO 0.00 -0.35 -0.15 0.15 0.70 0.00 0.00 175.22 175.57 2gbw s LYS 152 N -3.49 1.01 0.03 0.44 1.02 -0.16 -4.65 119.74 113.95 2gbw s LYS 152 Ca 0.03 -0.79 -0.23 0.00 0.02 0.00 0.00 55.97 55.00 2gbw s LYS 152 Cb 0.05 -1.04 -0.06 0.00 -0.52 0.00 0.00 37.83 36.26 2gbw s LYS 152 CO -0.08 0.26 0.69 0.54 -0.92 0.00 0.00 175.35 175.84 2gbw s VAL 153 N -0.85 4.79 -0.07 3.17 0.11 -0.38 -1.63 120.40 125.54 2gbw s VAL 153 Ca 0.03 1.46 0.02 0.00 -2.93 0.00 0.00 61.98 60.56 2gbw s VAL 153 Cb -0.08 -4.03 -0.02 0.00 -1.53 0.00 0.00 36.38 30.72 2gbw s VAL 153 CO 0.01 0.40 0.07 2.22 -3.33 0.00 0.00 175.10 174.47 2gbw n PHE 154 N 2.68 0.00 -3.76 1.54 -1.74 -0.68 -0.80 117.46 114.70 2gbw n PHE 154 Ca -0.05 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.71 2gbw n PHE 154 Cb 0.50 -0.00 -0.14 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 -1.20 0.12 -0.08 3.97 1.81 -1.06 -2.22 118.95 120.28 2gbw s ARG 155 Ca 0.01 0.36 -0.02 0.00 -1.72 0.00 0.00 55.73 54.36 2gbw s ARG 155 Cb 0.01 -0.13 0.03 0.00 -0.45 0.00 0.00 34.95 34.41 2gbw s ARG 155 CO 0.07 -0.14 0.02 0.50 -0.68 0.00 0.00 175.30 175.06 2gbw s ARG 156 N 1.00 0.48 -0.13 3.54 3.52 -0.39 -1.25 118.95 125.72 2gbw s ARG 156 Ca -0.08 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 2gbw s ARG 156 Cb -0.10 -1.06 -0.01 0.00 -1.56 0.00 0.00 34.95 32.22 2gbw s ARG 156 CO -0.05 -0.36 -0.14 0.21 -0.81 0.00 0.00 175.30 174.14 2gbw s LYS 157 N 2.00 3.33 -0.17 5.12 2.20 0.25 -0.75 119.74 131.72 2gbw s LYS 157 Ca 0.04 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2gbw s LYS 157 Cb -0.13 -2.60 0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2gbw s LYS 157 CO -0.05 0.19 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.45 2gbw s LEU 158 N 0.40 2.35 -0.35 5.43 1.43 0.10 -0.57 118.68 127.47 2gbw s LEU 158 Ca -0.11 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 2gbw s LEU 158 Cb -0.16 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.60 2gbw s LEU 158 CO 0.06 0.04 0.10 -0.63 0.23 0.00 0.00 176.35 176.15 2gbw s ILE 159 N 1.08 3.16 0.28 -0.59 1.01 0.18 -3.91 121.20 122.41 2gbw s ILE 159 Ca -0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 60.65 58.64 2gbw s ILE 159 Cb -0.14 -3.00 -0.10 0.00 0.01 0.00 0.00 42.46 39.23 2gbw s ILE 159 CO -0.05 -0.40 1.19 -0.76 0.00 0.00 0.00 174.94 174.92 2gbw s LEU 160 N 1.20 4.49 0.21 2.97 1.43 -1.26 -1.43 118.68 126.30 2gbw s LEU 160 Ca 0.02 2.41 0.12 0.00 -1.03 0.00 0.00 54.13 55.64 2gbw s LEU 160 Cb -0.21 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 2gbw s LEU 160 CO -0.02 -0.32 1.38 0.44 0.23 0.00 0.00 176.35 178.05 2gbw h ASP 161 N 3.98 0.00 -3.36 2.29 3.32 -1.70 -3.45 116.42 117.50 2gbw h ASP 161 Ca -0.47 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 55.98 2gbw h ASP 161 Cb 1.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 2gbw h ASP 161 CO 0.68 0.71 -0.35 0.00 -1.72 0.00 0.00 179.24 178.55 2gbw s ALA 162 N -2.86 3.60 0.03 3.45 0.00 -1.26 -5.01 121.76 119.72 2gbw s ALA 162 Ca 0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 2gbw s ALA 162 Cb 0.09 -2.39 -0.15 0.00 0.00 0.00 0.00 23.12 20.67 2gbw s ALA 162 CO 0.78 0.00 1.41 -0.09 0.00 0.00 0.00 175.76 177.86 2gbw h ARG 163 N 6.90 0.20 -4.79 0.00 9.65 -1.91 -3.40 114.38 121.02 2gbw h ARG 163 Ca -0.40 -0.08 -0.67 0.00 -1.10 0.00 0.00 59.98 57.73 2gbw h ARG 163 Cb 1.16 -0.01 -0.20 0.00 -1.39 0.00 0.00 29.97 29.53 2gbw h ARG 163 CO 0.74 0.52 -0.53 0.08 2.80 0.00 0.00 179.97 183.58 2gbw s VAL 164 N -4.70 4.90 -0.10 0.20 1.01 -1.26 -5.06 120.40 115.40 2gbw s VAL 164 Ca -0.15 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2gbw s VAL 164 Cb 0.05 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2gbw s VAL 164 CO 0.71 0.10 1.28 -0.89 0.00 0.00 0.00 175.10 176.30 2gbw s THR 165 N 1.67 4.15 -1.10 3.92 2.01 -1.26 -4.94 115.64 120.10 2gbw s THR 165 Ca 0.06 1.45 -0.03 0.00 0.31 0.00 0.00 61.69 63.47 2gbw s THR 165 Cb -0.17 -3.93 0.28 0.00 0.01 0.00 0.00 72.50 68.70 2gbw s THR 165 CO 0.08 -0.06 1.75 0.00 -0.69 0.00 0.00 174.62 175.70 2gbw n GLN 166 N 5.96 4.86 -3.45 4.92 6.02 -1.26 -4.89 117.38 129.54 2gbw n GLN 166 Ca 0.13 -4.42 -0.13 0.00 -0.01 0.00 0.00 57.00 52.57 2gbw n GLN 166 Cb 0.45 -2.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.15 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 -1.19 -0.57 0.40 1.08 -1.08 -1.26 -4.72 116.67 109.32 2gbw s ASP 167 Ca 0.37 0.12 0.10 0.00 -0.52 0.00 0.00 52.55 52.62 2gbw s ASP 167 Cb 0.13 0.58 0.89 0.00 -1.46 0.00 0.00 42.92 43.07 2gbw s ASP 167 CO -0.02 -0.90 1.98 0.11 0.52 0.00 0.00 175.17 176.86 2gbw h LYS 168 N 2.20 0.55 -2.98 4.34 1.57 -2.02 -3.46 116.57 116.77 2gbw h LYS 168 Ca -0.33 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.47 2gbw h LYS 168 Cb 1.28 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 2gbw h LYS 168 CO 0.39 0.36 0.25 0.54 -0.57 0.00 0.00 179.45 180.42 2gbw s ASN 169 N -6.27 -0.18 -0.27 0.86 2.20 -1.26 -5.03 114.94 104.98 2gbw s ASN 169 Ca -0.09 -0.75 0.08 0.00 -0.94 0.00 0.00 52.86 51.17 2gbw s ASN 169 Cb 0.19 0.76 0.45 0.00 -2.00 0.00 0.00 41.25 40.65 2gbw s ASN 169 CO 0.76 -1.43 1.19 0.18 -2.94 0.00 0.00 177.10 174.86 2gbw n LEU 170 N -0.48 4.37 -3.74 3.54 4.77 -1.26 -4.94 117.00 119.26 2gbw n LEU 170 Ca -0.05 -4.51 -0.42 0.00 -0.03 0.00 0.00 56.01 50.99 2gbw n LEU 170 Cb 0.59 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2gbw n LEU 170 CO 0.18 1.93 2.35 0.00 -1.33 0.00 0.00 177.39 180.52 2gbw n TYR 171 N -0.78 3.06 -3.77 -1.77 4.19 -1.26 -4.82 117.16 112.01 2gbw n TYR 171 Ca 0.38 -2.88 -0.11 0.00 3.31 0.00 0.00 57.90 58.60 2gbw n TYR 171 Cb 0.91 -2.18 -0.08 0.00 0.49 0.00 0.00 39.34 38.49 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 1.31 -0.08 0.27 2.98 -0.12 -1.26 -5.17 117.98 115.91 2gbw s PHE 172 Ca 0.46 -0.05 -0.04 0.00 -0.05 0.00 0.00 56.93 57.24 2gbw s PHE 172 Cb 0.13 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.54 2gbw s PHE 172 CO -0.04 -0.48 0.52 -0.06 -0.05 0.00 0.00 175.22 175.11 2gbw s PHE 173 N -2.42 3.48 0.00 3.49 0.08 -1.26 -5.20 117.98 116.14 2gbw s PHE 173 Ca -0.06 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.56 2gbw s PHE 173 Cb -0.01 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2gbw s PHE 173 CO -0.03 0.22 0.15 0.00 -0.10 0.00 0.00 175.22 175.46