#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbx s ILE 6 N 0.00 4.39 0.61 5.09 2.07 -1.26 -4.89 121.20 127.22 2gbx s ILE 6 Ca 0.00 1.74 -0.19 0.00 -1.41 0.00 0.00 60.65 60.79 2gbx s ILE 6 Cb 0.00 -4.16 -0.02 0.00 0.13 0.00 0.00 42.46 38.41 2gbx s ILE 6 CO 0.00 0.49 1.29 -2.84 -1.91 0.00 0.00 174.94 171.97 2gbx s PRO 7 N -0.97 2.78 0.77 3.50 0.02 -1.26 -1.53 135.00 138.31 2gbx s PRO 7 Ca 0.37 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 2gbx s PRO 7 Cb -0.23 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.38 2gbx s PRO 7 CO 0.26 -1.42 1.08 0.14 -0.33 0.00 0.00 177.00 176.74 2gbx s VAL 8 N -1.41 3.36 0.66 3.83 -7.23 -0.98 -4.76 120.40 113.86 2gbx s VAL 8 Ca 0.79 0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 61.28 2gbx s VAL 8 Cb -0.37 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.40 2gbx s VAL 8 CO 0.40 -0.58 1.05 0.42 -0.31 0.00 0.00 175.10 176.09 2gbx s THR 9 N -3.10 4.04 0.35 5.32 -4.23 -1.26 -4.81 115.64 111.94 2gbx s THR 9 Ca 0.60 0.75 0.09 0.00 -1.18 0.00 0.00 61.69 61.94 2gbx s THR 9 Cb -0.15 -3.44 0.32 0.00 1.34 0.00 0.00 72.50 70.58 2gbx s THR 9 CO 0.55 -0.78 1.85 -0.65 -0.54 0.00 0.00 174.62 175.04 2gbx h PRO 10 N -0.34 0.68 -0.46 3.99 0.11 -1.99 -0.01 132.00 133.98 2gbx h PRO 10 Ca -0.45 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2gbx h PRO 10 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2gbx h PRO 10 CO 0.57 0.45 -0.26 -0.44 -0.21 0.00 0.00 178.00 178.11 2gbx h ASP 11 N 0.70 1.02 -0.16 -2.05 5.19 -2.00 -2.52 116.42 116.60 2gbx h ASP 11 Ca 0.48 -0.41 -0.18 0.00 -0.62 0.00 0.00 57.03 56.30 2gbx h ASP 11 Cb 0.79 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 2gbx h ASP 11 CO -0.24 1.21 -0.58 0.58 -3.12 0.00 0.00 179.24 177.10 2gbx h VAL 12 N 0.84 1.29 -0.59 -1.35 2.07 -1.76 -3.07 116.25 113.68 2gbx h VAL 12 Ca 0.10 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 2gbx h VAL 12 Cb 0.85 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2gbx h VAL 12 CO 0.08 0.57 0.33 -0.74 0.02 0.00 0.00 177.57 177.83 2gbx h HIS 13 N 0.57 0.79 -0.48 1.57 -0.00 -0.98 -2.38 115.15 114.23 2gbx h HIS 13 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 2gbx h HIS 13 Cb 1.17 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 2gbx h HIS 13 CO 0.06 0.55 0.04 -0.92 -0.00 0.00 0.00 177.93 177.66 2gbx h TYR 14 N 0.82 0.89 -0.23 5.26 3.20 -1.42 -1.58 116.97 123.91 2gbx h TYR 14 Ca 0.21 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 2gbx h TYR 14 Cb 0.01 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 2gbx h TYR 14 CO 0.00 0.83 -0.16 -0.44 -1.64 0.00 0.00 178.16 176.75 2gbx h ASP 15 N 0.69 0.38 -0.08 -2.11 5.19 -1.38 0.20 116.42 119.31 2gbx h ASP 15 Ca 0.14 -0.10 -0.21 0.00 -0.62 0.00 0.00 57.03 56.25 2gbx h ASP 15 Cb 0.45 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2gbx h ASP 15 CO 0.02 0.56 -0.72 0.40 -3.12 0.00 0.00 179.24 176.38 2gbx h ILE 16 N 0.36 1.30 -0.23 0.35 2.04 -1.35 -0.44 117.51 119.54 2gbx h ILE 16 Ca 0.07 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 2gbx h ILE 16 Cb 0.50 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2gbx h ILE 16 CO 0.03 0.62 0.09 -0.33 0.00 0.00 0.00 178.15 178.56 2gbx h GLU 17 N 0.50 0.34 -0.18 2.37 4.39 -0.92 -1.58 114.58 119.51 2gbx h GLU 17 Ca -0.03 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2gbx h GLU 17 Cb 1.33 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2gbx h GLU 17 CO 0.14 0.40 -0.09 0.00 -1.16 0.00 0.00 179.01 178.30 2gbx h ALA 18 N 0.93 1.52 -0.33 3.43 0.00 -0.62 0.03 119.26 124.22 2gbx h ALA 18 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2gbx h ALA 18 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2gbx h ALA 18 CO -0.01 0.35 -0.03 1.25 0.00 0.00 0.00 179.25 180.81 2gbx h HIS 19 N 0.26 0.67 -0.19 0.00 -0.00 -0.88 -2.09 115.15 112.91 2gbx h HIS 19 Ca 0.06 -0.13 -0.14 0.00 -0.00 0.00 0.00 60.37 60.16 2gbx h HIS 19 Cb 0.34 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2gbx h HIS 19 CO 0.01 0.74 -0.47 1.88 -0.00 0.00 0.00 177.93 180.09 2gbx h TYR 20 N 0.39 0.61 -0.54 5.26 0.05 -0.95 -0.79 116.97 121.00 2gbx h TYR 20 Ca 0.09 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 2gbx h TYR 20 Cb 0.50 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 2gbx h TYR 20 CO 0.04 0.88 0.28 0.00 -1.05 0.00 0.00 178.16 178.31 2gbx h ARG 21 N 0.40 0.77 -0.50 4.88 3.08 -0.97 0.50 114.38 122.54 2gbx h ARG 21 Ca 0.02 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2gbx h ARG 21 Cb 0.98 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2gbx h ARG 21 CO 0.09 0.62 0.06 0.00 -1.07 0.00 0.00 179.97 179.67 2gbx h ALA 22 N 1.11 0.67 -0.86 0.04 0.00 -1.31 -2.50 119.26 116.41 2gbx h ALA 22 Ca 0.19 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2gbx h ALA 22 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2gbx h ALA 22 CO -0.03 0.43 0.56 1.49 0.00 0.00 0.00 179.25 181.70 2gbx h GLU 23 N 0.72 1.14 -0.66 0.00 4.81 -0.81 -2.10 114.58 117.67 2gbx h GLU 23 Ca 0.15 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2gbx h GLU 23 Cb 0.43 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2gbx h GLU 23 CO 0.01 0.76 0.15 0.28 -0.73 0.00 0.00 179.01 179.48 2gbx h VAL 24 N 1.17 1.26 -0.51 0.32 2.07 -0.85 -2.81 116.25 116.90 2gbx h VAL 24 Ca 0.31 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2gbx h VAL 24 Cb -0.13 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2gbx h VAL 24 CO -0.07 0.37 0.26 -0.09 0.02 0.00 0.00 177.57 178.06 2gbx h ARG 25 N 1.00 0.71 -0.06 1.57 2.43 -0.97 -1.68 114.38 117.37 2gbx h ARG 25 Ca 0.21 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 2gbx h ARG 25 Cb 0.38 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2gbx h ARG 25 CO 0.00 0.54 -0.53 0.52 -1.51 0.00 0.00 179.97 179.00 2gbx h MET 26 N 0.71 0.18 -0.23 0.20 2.86 -1.20 -0.28 114.93 117.17 2gbx h MET 26 Ca 0.18 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 2gbx h MET 26 Cb 0.05 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2gbx h MET 26 CO -0.03 0.66 -0.38 0.74 1.06 0.00 0.00 176.91 178.97 2gbx h PHE 27 N 0.14 0.82 -0.28 -0.22 0.04 -1.19 0.26 116.94 116.50 2gbx h PHE 27 Ca 0.00 -0.28 -0.15 0.00 2.80 0.00 0.00 57.97 60.34 2gbx h PHE 27 Cb 0.98 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.97 2gbx h PHE 27 CO 0.01 1.04 -0.40 1.96 -0.60 0.00 0.00 178.31 180.33 2gbx h GLN 28 N 0.36 0.77 0.00 1.51 4.20 -1.21 -3.08 115.11 117.67 2gbx h GLN 28 Ca 0.02 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 2gbx h GLN 28 Cb 0.97 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 2gbx h GLN 28 CO 0.09 1.08 -0.01 1.79 -0.67 0.00 0.00 178.83 181.10 2gbx h THR 29 N 0.53 0.02 -0.79 -0.54 1.35 -1.14 -3.46 112.91 108.88 2gbx h THR 29 Ca 0.03 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2gbx h THR 29 Cb 0.99 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2gbx h THR 29 CO 0.09 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 2gbx n GLY 30 N 0.57 0.94 2.78 5.82 0.00 -0.79 -5.01 105.19 109.48 2gbx n GLY 30 Ca 0.02 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2gbx n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gbx n GLN 31 N -0.40 4.16 0.10 1.61 6.02 0.85 -4.84 117.38 124.87 2gbx n GLN 31 Ca 0.00 -4.66 -0.05 0.00 -0.01 0.00 0.00 57.00 52.28 2gbx n GLN 31 Cb 0.37 -2.41 0.06 0.00 1.02 0.00 0.00 30.24 29.28 2gbx n GLN 31 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2gbx h TYR 32 N 4.49 0.18 -0.26 1.08 0.05 -1.95 -2.56 116.97 118.00 2gbx h TYR 32 Ca 0.28 -0.09 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 2gbx h TYR 32 Cb 0.53 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2gbx h TYR 32 CO 1.01 0.83 -0.13 0.00 -1.05 0.00 0.00 178.16 178.82 2gbx h ARG 33 N 0.08 0.55 -0.27 4.88 3.08 -1.92 -1.44 114.38 119.35 2gbx h ARG 33 Ca -0.02 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.70 2gbx h ARG 33 Cb 1.33 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 2gbx h ARG 33 CO 0.11 0.81 -0.19 0.93 -1.07 0.00 0.00 179.97 180.55 2gbx h GLU 34 N 0.28 0.48 0.60 0.04 3.07 -1.97 -2.31 114.58 114.78 2gbx h GLU 34 Ca 0.06 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 2gbx h GLU 34 Cb 0.64 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2gbx h GLU 34 CO 0.04 0.65 -0.29 2.35 -1.40 0.00 0.00 179.01 180.36 2gbx h TRP 35 N 0.44 -0.76 -0.51 4.33 7.01 -1.39 -1.46 115.95 123.61 2gbx h TRP 35 Ca 0.07 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.15 2gbx h TRP 35 Cb 0.58 0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.87 2gbx h TRP 35 CO 0.02 -0.47 0.35 1.25 -2.79 0.00 0.00 178.44 176.79 2gbx h LEU 36 N -0.82 0.27 0.02 0.65 5.85 -1.02 0.37 115.31 120.63 2gbx h LEU 36 Ca -0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2gbx h LEU 36 Cb 0.63 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2gbx h LEU 36 CO 0.13 0.16 -0.13 1.56 -0.34 0.00 0.00 178.44 179.83 2gbx h GLN 37 N 0.30 0.05 0.00 1.25 4.20 -1.37 -3.30 115.11 116.24 2gbx h GLN 37 Ca 0.24 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 2gbx h GLN 37 Cb 0.54 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2gbx h GLN 37 CO -0.05 1.01 -0.81 0.78 -0.67 0.00 0.00 178.83 179.08 2gbx h GLY 38 N -0.87 0.00 0.00 3.46 0.00 -0.89 -3.39 103.07 101.38 2gbx h GLY 38 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2gbx h GLY 38 CO 0.02 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.59 2gbx n MET 39 N -3.07 3.49 -4.95 4.80 2.81 0.13 -4.76 117.12 115.57 2gbx n MET 39 Ca -0.02 -0.06 -0.32 0.00 -1.81 0.00 0.00 57.70 55.49 2gbx n MET 39 Cb 0.75 -0.40 -0.15 0.00 -0.71 0.00 0.00 33.22 32.71 2gbx n MET 39 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2gbx s VAL 40 N -0.51 2.71 0.63 2.03 1.01 -1.14 -2.47 120.40 122.66 2gbx s VAL 40 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 2gbx s VAL 40 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2gbx s VAL 40 CO 0.00 0.55 1.04 0.00 0.00 0.00 0.00 175.10 176.69 2gbx s ALA 41 N 0.12 2.83 -0.97 5.51 0.00 -0.91 -4.69 121.76 123.64 2gbx s ALA 41 Ca -0.08 0.16 0.29 0.00 0.00 0.00 0.00 51.96 52.32 2gbx s ALA 41 Cb -0.15 -3.17 1.19 0.00 0.00 0.00 0.00 23.12 20.99 2gbx s ALA 41 CO 0.05 -0.86 1.91 0.39 0.00 0.00 0.00 175.76 177.25 2gbx n GLU 42 N -2.51 0.03 -1.05 0.00 1.02 -1.26 -2.86 120.64 114.00 2gbx n GLU 42 Ca 0.07 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 2gbx n GLU 42 Cb 0.53 -1.53 0.18 0.00 -0.02 0.00 0.00 31.44 30.60 2gbx n GLU 42 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2gbx n ASP 43 N -1.57 3.33 -4.77 1.62 5.75 -1.26 -4.40 116.55 115.25 2gbx n ASP 43 Ca 0.07 -3.72 -0.39 0.00 -0.01 0.00 0.00 54.79 50.73 2gbx n ASP 43 Cb 0.35 -0.73 -0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2gbx n ASP 43 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2gbx s ILE 44 N -3.41 2.68 -0.49 2.12 1.10 -1.14 -4.81 121.20 117.25 2gbx s ILE 44 Ca 0.51 0.59 0.03 0.00 -0.51 0.00 0.00 60.65 61.28 2gbx s ILE 44 Cb 0.44 -3.34 0.13 0.00 0.15 0.00 0.00 42.46 39.84 2gbx s ILE 44 CO 0.04 0.07 0.25 -2.28 -2.11 0.00 0.00 174.94 170.91 2gbx s HIS 45 N -1.30 2.88 -0.43 3.50 5.65 -0.98 -3.75 115.29 120.86 2gbx s HIS 45 Ca 0.58 -2.97 -0.29 0.00 0.25 0.00 0.00 55.06 52.63 2gbx s HIS 45 Cb -0.37 -2.58 0.02 0.00 -1.18 0.00 0.00 32.58 28.48 2gbx s HIS 45 CO 0.47 -0.76 1.23 -0.47 -0.65 0.00 0.00 174.74 174.56 2gbx s TYR 46 N -0.09 2.72 -0.06 3.88 5.04 -0.50 -2.88 117.35 125.45 2gbx s TYR 46 Ca 0.17 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.58 2gbx s TYR 46 Cb -0.25 -4.28 0.02 0.00 0.35 0.00 0.00 41.96 37.79 2gbx s TYR 46 CO -0.00 -1.47 -0.08 -0.46 -1.34 0.00 0.00 175.55 172.20 2gbx s TRP 47 N 4.65 1.17 -0.34 4.97 -0.00 -0.36 -0.90 118.94 128.13 2gbx s TRP 47 Ca 0.52 -0.42 -0.01 0.00 -0.00 0.00 0.00 56.10 56.19 2gbx s TRP 47 Cb -0.10 -0.93 0.11 0.00 -0.00 0.00 0.00 33.47 32.56 2gbx s TRP 47 CO 0.30 -0.27 0.15 1.41 -0.00 0.00 0.00 176.95 178.54 2gbx s MET 48 N 0.91 0.70 0.50 5.86 -2.45 -0.26 -0.83 119.30 123.73 2gbx s MET 48 Ca -0.11 -1.21 -0.19 0.00 -1.25 0.00 0.00 55.69 52.93 2gbx s MET 48 Cb -0.15 -1.77 -0.08 0.00 1.25 0.00 0.00 34.83 34.08 2gbx s MET 48 CO 0.01 -1.07 1.03 -1.25 1.05 0.00 0.00 175.02 174.79 2gbx s PRO 49 N 1.34 3.77 -0.83 4.11 0.05 -1.25 -0.84 135.00 141.35 2gbx s PRO 49 Ca 0.13 1.29 -0.20 0.00 0.05 0.00 0.00 61.00 62.27 2gbx s PRO 49 Cb -0.20 -2.09 0.11 0.00 0.05 0.00 0.00 34.50 32.37 2gbx s PRO 49 CO -0.17 -0.45 1.07 0.42 0.05 0.00 0.00 177.00 177.92 2gbx s ILE 50 N -2.11 4.57 0.40 0.56 1.01 -1.18 -4.74 121.20 119.72 2gbx s ILE 50 Ca 0.66 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 2gbx s ILE 50 Cb -0.15 -4.75 -0.09 0.00 0.01 0.00 0.00 42.46 37.48 2gbx s ILE 50 CO 0.23 -1.49 1.07 -0.31 0.00 0.00 0.00 174.94 174.44 2gbx s TYR 51 N 3.22 3.22 0.03 3.97 2.02 -1.26 -4.96 117.35 123.59 2gbx s TYR 51 Ca 0.29 1.63 0.07 0.00 -0.37 0.00 0.00 57.07 58.69 2gbx s TYR 51 Cb -0.09 -3.18 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 2gbx s TYR 51 CO -0.02 -0.77 -0.20 -2.00 -1.57 0.00 0.00 175.55 170.98 2gbx s GLU 52 N -2.46 2.05 -0.62 -0.62 2.12 -1.26 -4.97 118.70 112.94 2gbx s GLU 52 Ca 0.58 -0.98 -0.28 0.00 0.36 0.00 0.00 54.97 54.65 2gbx s GLU 52 Cb -0.24 -2.14 0.02 0.00 0.26 0.00 0.00 34.13 32.03 2gbx s GLU 52 CO 0.30 0.54 1.37 -0.65 -0.54 0.00 0.00 175.26 176.28 2gbx s GLN 53 N -1.26 3.25 0.20 4.30 -1.52 -1.26 -4.99 119.66 118.39 2gbx s GLN 53 Ca 0.13 0.24 0.10 0.00 -1.95 0.00 0.00 55.36 53.88 2gbx s GLN 53 Cb -0.10 -4.14 -0.04 0.00 -0.22 0.00 0.00 33.01 28.50 2gbx s GLN 53 CO 0.04 -2.01 -0.21 1.03 -0.25 0.00 0.00 175.29 173.88 2gbx s ARG 54 N 5.60 1.45 0.67 2.91 0.52 -1.26 -5.14 118.95 123.71 2gbx s ARG 54 Ca 0.47 -1.53 -0.14 0.00 -0.52 0.00 0.00 55.73 54.02 2gbx s ARG 54 Cb -0.10 -1.63 0.01 0.00 0.52 0.00 0.00 34.95 33.76 2gbx s ARG 54 CO 0.22 0.33 1.09 -0.51 0.02 0.00 0.00 175.30 176.46 2gbx s LEU 55 N -2.83 3.31 0.32 2.53 1.43 -1.26 -4.96 118.68 117.22 2gbx s LEU 55 Ca 0.21 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.27 2gbx s LEU 55 Cb -0.06 -4.54 0.56 0.00 0.03 0.00 0.00 46.19 42.18 2gbx s LEU 55 CO 0.09 -1.62 1.78 0.74 0.23 0.00 0.00 176.35 177.57 2gbx h THR 56 N -0.21 1.26 0.00 5.49 2.02 -2.04 -2.66 112.91 116.77 2gbx h THR 56 Ca -0.46 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.49 2gbx h THR 56 Cb 1.24 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2gbx h THR 56 CO 0.54 0.37 -0.09 0.08 0.37 0.00 0.00 175.52 176.79 2gbx h ARG 57 N 0.26 0.00 -6.39 6.66 0.11 -2.06 -3.43 114.38 109.54 2gbx h ARG 57 Ca 0.04 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.58 2gbx h ARG 57 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2gbx h ARG 57 CO 0.05 0.09 0.90 0.34 0.10 0.00 0.00 179.97 181.45 2gbx s ASP 58 N -5.93 6.76 -0.53 0.08 -1.08 -1.00 -4.94 116.67 110.02 2gbx s ASP 58 Ca 0.01 2.23 0.04 0.00 -0.52 0.00 0.00 52.55 54.31 2gbx s ASP 58 Cb 0.09 -2.56 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 2gbx s ASP 58 CO 0.59 -0.78 1.22 0.54 0.52 0.00 0.00 175.17 177.26 2gbx n ARG 59 N 5.57 3.38 -2.92 4.34 1.74 -1.26 -4.90 116.66 122.61 2gbx n ARG 59 Ca 0.14 -4.45 -0.31 0.00 -0.77 0.00 0.00 57.85 52.46 2gbx n ARG 59 Cb 0.43 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 29.57 2gbx n ARG 59 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gbx s ARG 60 N -3.62 3.86 0.75 5.56 0.52 -1.26 -5.08 118.95 119.68 2gbx s ARG 60 Ca 0.48 0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 56.15 2gbx s ARG 60 Cb 0.38 -2.39 0.04 0.00 0.52 0.00 0.00 34.95 33.50 2gbx s ARG 60 CO -0.21 0.01 1.08 -1.25 0.02 0.00 0.00 175.30 174.95 2gbx s PRO 61 N -3.59 2.43 0.70 3.54 0.04 -1.26 -5.02 135.00 131.85 2gbx s PRO 61 Ca 0.53 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.37 2gbx s PRO 61 Cb -0.10 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2gbx s PRO 61 CO 0.27 -1.46 1.13 -0.51 0.04 0.00 0.00 177.00 176.47 2gbx s ASP 62 N -3.67 4.72 0.55 6.66 1.11 -1.26 -4.95 116.67 119.84 2gbx s ASP 62 Ca 0.60 2.06 -0.20 0.00 0.18 0.00 0.00 52.55 55.19 2gbx s ASP 62 Cb -0.15 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.22 2gbx s ASP 62 CO 0.55 -1.89 0.95 -2.65 1.18 0.00 0.00 175.17 173.31 2gbx n PRO 63 N -2.73 1.02 -4.25 8.23 -0.02 -1.26 -5.01 135.00 130.98 2gbx n PRO 63 Ca 0.11 0.38 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 2gbx n PRO 63 Cb 0.52 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 2gbx n PRO 63 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gbx s THR 64 N -1.47 1.04 -0.99 3.45 -4.23 -1.26 -5.01 115.64 107.18 2gbx s THR 64 Ca 0.72 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2gbx s THR 64 Cb -0.45 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.46 2gbx s THR 64 CO 0.50 -0.67 0.19 -2.65 -0.54 0.00 0.00 174.62 171.45 2gbx n PRO 65 N -0.21 0.37 0.00 3.99 -0.02 -1.26 0.22 135.00 138.09 2gbx n PRO 65 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2gbx n PRO 65 Cb 0.61 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2gbx n PRO 65 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2gbx n ASP 66 N 0.32 0.07 -4.66 2.55 5.75 -1.26 -5.03 116.55 114.30 2gbx n ASP 66 Ca 0.00 -1.04 -0.24 0.00 -0.01 0.00 0.00 54.79 53.50 2gbx n ASP 66 Cb 0.09 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.29 2gbx n ASP 66 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2gbx s ASP 67 N -0.04 4.31 0.29 -1.12 1.01 0.61 -5.06 116.67 116.67 2gbx s ASP 67 Ca 0.00 -0.26 -0.29 0.00 0.71 0.00 0.00 52.55 52.71 2gbx s ASP 67 Cb 0.00 -0.13 -0.13 0.00 1.01 0.00 0.00 42.92 43.66 2gbx s ASP 67 CO 0.00 -1.88 1.18 0.00 0.21 0.00 0.00 175.17 174.67 2gbx n ALA 68 N -2.89 0.47 -3.59 5.23 0.00 -1.26 -4.88 120.51 113.58 2gbx n ALA 68 Ca 0.14 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.82 2gbx n ALA 68 Cb 0.60 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 2gbx n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbx s ALA 69 N -0.86 -1.79 0.01 0.00 0.00 -1.26 -3.08 121.76 114.78 2gbx s ALA 69 Ca 0.60 1.75 -0.24 0.00 0.00 0.00 0.00 51.96 54.08 2gbx s ALA 69 Cb -0.66 -0.76 -0.17 0.00 0.00 0.00 0.00 23.12 21.53 2gbx s ALA 69 CO 0.59 -0.34 1.36 0.82 0.00 0.00 0.00 175.76 178.19 2gbx h ILE 70 N 3.57 1.32 -3.71 0.00 2.04 -1.29 -3.42 117.51 116.03 2gbx h ILE 70 Ca -0.28 -1.03 -0.68 0.00 1.00 0.00 0.00 64.86 63.87 2gbx h ILE 70 Cb 1.15 1.89 -0.20 0.00 -0.74 0.00 0.00 36.82 38.92 2gbx h ILE 70 CO 0.18 0.28 -0.71 -0.31 0.00 0.00 0.00 178.15 177.59 2gbx s TYR 71 N -4.56 2.89 -0.42 1.37 2.02 -1.20 -4.95 117.35 112.50 2gbx s TYR 71 Ca -0.15 -0.07 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 2gbx s TYR 71 Cb 0.03 -1.71 0.32 0.00 -0.40 0.00 0.00 41.96 40.20 2gbx s TYR 71 CO 0.70 0.25 1.22 -1.71 -1.57 0.00 0.00 175.55 174.44 2gbx n ASN 72 N 2.38 -2.00 -4.65 2.29 2.85 -1.00 -1.11 115.26 114.03 2gbx n ASN 72 Ca -0.18 -2.98 -0.26 0.00 -0.11 0.00 0.00 54.58 51.05 2gbx n ASN 72 Cb 0.53 1.51 -0.08 0.00 1.24 0.00 0.00 39.78 42.98 2gbx n ASN 72 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2gbx s ASP 73 N -1.05 4.66 0.17 1.20 1.01 -0.08 -4.95 116.67 117.64 2gbx s ASP 73 Ca 0.21 -0.45 0.03 0.00 0.71 0.00 0.00 52.55 53.04 2gbx s ASP 73 Cb 0.31 -0.95 0.03 0.00 1.01 0.00 0.00 42.92 43.32 2gbx s ASP 73 CO -0.08 0.08 0.24 -0.90 0.21 0.00 0.00 175.17 174.72 2gbx n ASP 74 N -0.18 0.62 -0.27 0.27 5.75 -1.26 -1.41 116.55 120.07 2gbx n ASP 74 Ca -0.10 -1.45 -0.06 0.00 -0.01 0.00 0.00 54.79 53.17 2gbx n ASP 74 Cb 0.56 -0.13 0.05 0.00 -1.03 0.00 0.00 41.12 40.57 2gbx n ASP 74 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2gbx h PHE 75 N 0.03 1.10 -0.49 2.11 3.57 -1.77 -0.97 116.94 120.52 2gbx h PHE 75 Ca -0.08 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 2gbx h PHE 75 Cb 0.37 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2gbx h PHE 75 CO 0.00 0.83 0.05 0.78 -2.23 0.00 0.00 178.31 177.74 2gbx h GLY 76 N 1.05 0.83 1.92 2.40 0.00 -1.94 -1.90 103.07 105.43 2gbx h GLY 76 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2gbx h GLY 76 CO -0.02 0.48 -0.08 0.83 0.00 0.00 0.00 176.54 177.74 2gbx h GLU 77 N 0.73 0.00 -0.05 4.80 5.08 -1.89 -2.99 114.58 120.25 2gbx h GLU 77 Ca 0.15 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 2gbx h GLU 77 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2gbx h GLU 77 CO 0.01 0.00 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.14 2gbx h LEU 78 N 0.00 0.53 -0.83 1.33 3.38 -0.87 -3.05 115.31 115.80 2gbx h LEU 78 Ca 0.00 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2gbx h LEU 78 Cb 1.00 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2gbx h LEU 78 CO 0.00 1.14 0.55 0.11 0.09 0.00 0.00 178.44 180.33 2gbx h LYS 79 N 0.28 1.07 -0.86 1.13 1.57 -1.29 -1.13 116.57 117.34 2gbx h LYS 79 Ca -0.05 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2gbx h LYS 79 Cb 1.41 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 2gbx h LYS 79 CO 0.14 0.71 0.54 1.96 -0.57 0.00 0.00 179.45 182.23 2gbx h GLN 80 N 1.11 0.98 -0.14 3.15 4.20 -1.52 0.13 115.11 123.02 2gbx h GLN 80 Ca 0.31 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.81 2gbx h GLN 80 Cb -0.10 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 2gbx h GLN 80 CO -0.08 0.65 -0.55 0.00 -0.67 0.00 0.00 178.83 178.18 2gbx h ARG 81 N 1.01 0.41 -0.12 1.46 3.08 -1.35 -3.03 114.38 115.84 2gbx h ARG 81 Ca 0.36 -0.26 -0.21 0.00 0.07 0.00 0.00 59.98 59.94 2gbx h ARG 81 Cb 0.11 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.20 2gbx h ARG 81 CO -0.15 0.85 -0.76 0.28 -1.07 0.00 0.00 179.97 179.12 2gbx h VAL 82 N 0.31 1.30 0.00 2.04 2.07 -0.74 -3.27 116.25 117.96 2gbx h VAL 82 Ca 0.00 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 2gbx h VAL 82 Cb 1.07 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2gbx h VAL 82 CO 0.10 0.62 -0.10 -0.33 0.02 0.00 0.00 177.57 177.87 2gbx h GLU 83 N 0.43 0.00 -0.67 1.57 4.39 -0.77 -2.52 114.58 117.01 2gbx h GLU 83 Ca -0.06 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2gbx h GLU 83 Cb 1.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.02 2gbx h GLU 83 CO 0.16 0.10 0.23 -0.09 -1.16 0.00 0.00 179.01 178.25 2gbx h ARG 84 N 0.00 1.02 -0.04 2.33 2.43 -1.58 -2.52 114.38 116.03 2gbx h ARG 84 Ca -0.00 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 58.81 2gbx h ARG 84 Cb 0.48 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2gbx h ARG 84 CO 0.01 0.88 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.63 2gbx h LEU 85 N 0.96 0.19 0.00 3.80 3.38 -1.57 -3.04 115.31 119.02 2gbx h LEU 85 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gbx h LEU 85 Cb 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2gbx h LEU 85 CO -0.01 0.78 0.00 -1.22 0.09 0.00 0.00 178.44 178.08 2gbx n TYR 86 N -3.82 0.00 0.20 1.13 4.02 -1.12 -4.59 117.16 112.98 2gbx n TYR 86 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.96 2gbx n TYR 86 Cb 0.64 -0.11 0.32 0.00 -0.02 0.00 0.00 39.34 40.17 2gbx n TYR 86 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2gbx h SER 87 N 0.00 0.00 -4.03 7.72 4.64 -1.67 -3.46 113.55 116.76 2gbx h SER 87 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2gbx h SER 87 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2gbx h SER 87 CO 0.00 0.25 0.43 -0.83 -0.87 0.00 0.00 176.83 175.81 2gbx s GLY 88 N -4.31 2.66 -1.06 -0.77 0.00 -1.15 -4.98 107.32 97.71 2gbx s GLY 88 Ca 0.02 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.47 2gbx s GLY 88 CO 0.66 1.15 1.43 -1.06 0.00 0.00 0.00 173.10 175.28 2gbx n GLN 89 N -0.68 4.34 -2.57 2.90 1.13 -1.26 -4.84 117.38 116.40 2gbx n GLN 89 Ca 0.08 -4.56 -0.42 0.00 -1.94 0.00 0.00 57.00 50.16 2gbx n GLN 89 Cb 0.50 -2.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.33 2gbx n GLN 89 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2gbx s VAL 90 N -2.72 4.47 -0.17 5.09 1.01 -1.26 -4.94 120.40 121.88 2gbx s VAL 90 Ca 0.31 1.77 0.16 0.00 0.00 0.00 0.00 61.98 64.23 2gbx s VAL 90 Cb 0.05 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2gbx s VAL 90 CO 0.09 0.10 1.25 -0.50 0.00 0.00 0.00 175.10 176.04 2gbx h TRP 91 N 6.96 0.00 0.00 5.22 -0.00 -1.95 -3.04 115.95 123.13 2gbx h TRP 91 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.50 2gbx h TRP 91 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 2gbx h TRP 91 CO 0.69 0.46 0.00 0.52 -0.00 0.00 0.00 178.44 180.11 2gbx h MET 92 N 0.00 0.00 -0.48 0.49 2.86 -1.94 -2.53 114.93 113.34 2gbx h MET 92 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2gbx h MET 92 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.06 2gbx h MET 92 CO 0.05 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.41 2gbx n GLU 93 N -2.38 2.97 -3.48 1.72 -0.58 -1.15 -4.68 120.64 113.06 2gbx n GLU 93 Ca 0.01 -2.40 -0.43 0.00 -0.42 0.00 0.00 57.16 53.93 2gbx n GLU 93 Cb 0.21 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 2gbx n GLU 93 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2gbx s ASP 94 N -1.08 6.04 0.39 1.62 2.15 -0.95 0.40 116.67 125.24 2gbx s ASP 94 Ca 0.35 -2.35 0.00 0.00 0.43 0.00 0.00 52.55 50.99 2gbx s ASP 94 Cb 0.20 -2.08 -0.02 0.00 -0.30 0.00 0.00 42.92 40.73 2gbx s ASP 94 CO 0.21 -0.61 0.61 -2.16 -0.17 0.00 0.00 175.17 173.04 2gbx s PRO 95 N 0.70 3.31 0.34 4.34 0.04 -1.26 -5.03 135.00 137.44 2gbx s PRO 95 Ca 0.12 -0.39 -0.27 0.00 0.04 0.00 0.00 61.00 60.50 2gbx s PRO 95 Cb -0.20 -2.61 -0.13 0.00 0.04 0.00 0.00 34.50 31.60 2gbx s PRO 95 CO -0.03 -0.04 1.02 -0.35 0.04 0.00 0.00 177.00 177.64 2gbx n PRO 96 N -1.92 1.40 -3.39 0.56 -0.04 1.33 -4.93 135.00 128.01 2gbx n PRO 96 Ca -0.02 0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 63.60 2gbx n PRO 96 Cb 0.57 -1.94 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 2gbx n PRO 96 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2gbx s SER 97 N -0.61 6.72 0.13 3.54 1.04 -1.26 -5.01 113.70 118.25 2gbx s SER 97 Ca 0.60 1.00 -0.26 0.00 0.48 0.00 0.00 55.95 57.76 2gbx s SER 97 Cb -0.64 -2.26 -0.07 0.00 0.10 0.00 0.00 66.02 63.16 2gbx s SER 97 CO 0.59 0.02 0.81 -0.54 0.98 0.00 0.00 173.24 175.09 2gbx s LYS 98 N -2.38 4.58 0.06 4.02 -0.14 0.95 -4.93 119.74 121.89 2gbx s LYS 98 Ca 0.42 1.19 0.03 0.00 -1.36 0.00 0.00 55.97 56.26 2gbx s LYS 98 Cb -0.13 -3.31 -0.03 0.00 -1.68 0.00 0.00 37.83 32.68 2gbx s LYS 98 CO 0.20 0.44 -0.11 -1.50 -0.76 0.00 0.00 175.35 173.62 2gbx s ILE 99 N -0.68 0.80 -0.18 2.17 2.07 -1.26 -0.90 121.20 123.23 2gbx s ILE 99 Ca 0.38 -1.21 -0.05 0.00 -1.41 0.00 0.00 60.65 58.36 2gbx s ILE 99 Cb -0.23 -0.85 0.09 0.00 0.13 0.00 0.00 42.46 41.60 2gbx s ILE 99 CO 0.26 -0.33 0.33 -0.60 -1.91 0.00 0.00 174.94 172.69 2gbx s ARG 100 N -1.74 0.24 0.15 3.50 3.52 0.13 -4.76 118.95 119.99 2gbx s ARG 100 Ca -0.06 0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 56.26 2gbx s ARG 100 Cb -0.09 -0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.16 2gbx s ARG 100 CO 0.01 -0.36 0.40 0.71 -0.81 0.00 0.00 175.30 175.25 2gbx s TYR 101 N 2.50 3.47 -0.49 5.12 2.02 -1.26 -0.83 117.35 127.87 2gbx s TYR 101 Ca 0.03 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.35 2gbx s TYR 101 Cb -0.13 -2.03 0.16 0.00 -0.40 0.00 0.00 41.96 39.56 2gbx s TYR 101 CO -0.11 0.41 0.36 -0.06 -1.57 0.00 0.00 175.55 174.58 2gbx s PHE 102 N -1.68 1.87 0.10 2.71 0.08 -0.38 -4.98 117.98 115.70 2gbx s PHE 102 Ca 0.42 -2.57 -0.30 0.00 0.12 0.00 0.00 56.93 54.59 2gbx s PHE 102 Cb -0.12 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.72 2gbx s PHE 102 CO 0.24 -0.74 1.20 0.08 -0.10 0.00 0.00 175.22 175.90 2gbx s VAL 103 N -0.25 3.91 0.15 -0.44 1.01 -1.26 -3.02 120.40 120.50 2gbx s VAL 103 Ca 0.27 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.59 2gbx s VAL 103 Cb -0.04 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 2gbx s VAL 103 CO -0.15 0.15 0.29 -0.55 0.00 0.00 0.00 175.10 174.83 2gbx s SER 104 N 0.78 0.03 -1.21 3.32 0.15 0.04 -4.95 113.70 111.86 2gbx s SER 104 Ca 0.57 -0.80 -0.06 0.00 0.70 0.00 0.00 55.95 56.36 2gbx s SER 104 Cb -0.30 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 2gbx s SER 104 CO 0.31 -0.87 0.78 -3.20 1.20 0.00 0.00 173.24 171.46 2gbx n ASN 105 N -0.20 -5.55 -4.64 5.45 5.15 -1.26 -0.01 115.26 114.20 2gbx n ASN 105 Ca -0.09 -0.36 -0.43 0.00 -0.60 0.00 0.00 54.58 53.10 2gbx n ASN 105 Cb 0.63 -4.26 -0.02 0.00 -0.53 0.00 0.00 39.78 35.60 2gbx n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2gbx s VAL 106 N -3.18 4.12 -0.15 3.44 1.01 -1.26 -4.12 120.40 120.26 2gbx s VAL 106 Ca 0.39 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 2gbx s VAL 106 Cb -0.17 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.23 2gbx s VAL 106 CO 0.48 -0.31 -0.04 -1.61 0.00 0.00 0.00 175.10 173.62 2gbx s GLU 107 N 3.98 1.22 0.06 2.72 2.02 0.36 -5.01 118.70 124.05 2gbx s GLU 107 Ca 0.58 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.20 2gbx s GLU 107 Cb -0.20 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 2gbx s GLU 107 CO 0.21 -0.42 0.14 0.00 0.02 0.00 0.00 175.26 175.21 2gbx s ALA 108 N 1.72 3.79 0.00 5.21 0.00 -1.26 -1.09 121.76 130.14 2gbx s ALA 108 Ca 0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 2gbx s ALA 108 Cb -0.15 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.31 2gbx s ALA 108 CO -0.07 0.78 -0.00 -0.06 0.00 0.00 0.00 175.76 176.40 2gbx s PHE 109 N -1.42 0.06 -0.44 0.00 0.08 0.11 -2.33 117.98 114.04 2gbx s PHE 109 Ca 0.31 -0.11 -0.28 0.00 0.12 0.00 0.00 56.93 56.96 2gbx s PHE 109 Cb -0.13 -0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.29 2gbx s PHE 109 CO 0.24 -0.05 1.48 -1.21 -0.10 0.00 0.00 175.22 175.58 2gbx s GLU 110 N -0.33 3.46 -0.09 0.44 0.41 -0.58 -0.37 118.70 121.64 2gbx s GLU 110 Ca -0.04 0.90 -0.16 0.00 -0.41 0.00 0.00 54.97 55.26 2gbx s GLU 110 Cb -0.02 -4.08 -0.13 0.00 -1.78 0.00 0.00 34.13 28.12 2gbx s GLU 110 CO -0.00 -1.72 0.56 0.00 -0.49 0.00 0.00 175.26 173.61 2gbx h ALA 111 N 11.22 -0.13 0.00 5.21 0.00 -1.59 -3.38 119.26 130.59 2gbx h ALA 111 Ca -0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2gbx h ALA 111 Cb 1.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2gbx h ALA 111 CO 1.10 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.60 2gbx n GLY 112 N 1.18 4.45 3.38 0.00 0.00 -1.21 -4.99 105.19 107.99 2gbx n GLY 112 Ca -0.06 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 2gbx n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gbx n ASN 113 N 0.00 -5.57 -2.29 1.61 2.85 -1.26 -2.94 115.26 107.67 2gbx n ASN 113 Ca 0.00 -0.50 -0.14 0.00 -0.11 0.00 0.00 54.58 53.83 2gbx n ASN 113 Cb 0.00 -4.62 0.04 0.00 1.24 0.00 0.00 39.78 36.44 2gbx n ASN 113 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2gbx n GLY 114 N -1.79 0.03 3.28 8.20 0.00 -1.26 -5.00 105.19 108.65 2gbx n GLY 114 Ca -0.02 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2gbx n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gbx s GLU 115 N -5.69 1.13 -0.15 1.61 2.02 -1.15 -3.13 118.70 113.35 2gbx s GLU 115 Ca 0.32 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 2gbx s GLU 115 Cb -0.14 -1.22 0.04 0.00 0.10 0.00 0.00 34.13 32.91 2gbx s GLU 115 CO 0.40 0.26 -0.01 -0.51 0.02 0.00 0.00 175.26 175.42 2gbx s LEU 116 N -2.29 1.17 -0.28 1.80 1.43 -0.33 -1.46 118.68 118.73 2gbx s LEU 116 Ca 0.10 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 2gbx s LEU 116 Cb -0.07 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.47 2gbx s LEU 116 CO 0.05 -0.22 1.23 -1.81 0.23 0.00 0.00 176.35 175.83 2gbx s ASP 117 N 1.80 6.80 -0.13 2.29 1.01 0.51 -0.98 116.67 127.97 2gbx s ASP 117 Ca 0.02 1.26 0.02 0.00 0.71 0.00 0.00 52.55 54.56 2gbx s ASP 117 Cb -0.15 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.26 2gbx s ASP 117 CO -0.07 -0.96 -0.17 -0.69 0.21 0.00 0.00 175.17 173.49 2gbx s VAL 118 N 4.00 1.71 -0.04 -1.27 1.01 0.75 0.06 120.40 126.62 2gbx s VAL 118 Ca 0.53 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2gbx s VAL 118 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2gbx s VAL 118 CO 0.19 0.48 -0.04 -0.76 0.00 0.00 0.00 175.10 174.98 2gbx s LEU 119 N 1.02 3.34 -0.05 3.92 1.43 -0.25 -0.32 118.68 127.76 2gbx s LEU 119 Ca -0.04 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 2gbx s LEU 119 Cb -0.15 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.34 2gbx s LEU 119 CO -0.04 0.33 0.74 -0.94 0.23 0.00 0.00 176.35 176.68 2gbx s SER 120 N -1.12 -0.58 -0.08 2.29 1.04 -0.76 -0.49 113.70 114.00 2gbx s SER 120 Ca 0.15 0.58 -0.10 0.00 0.48 0.00 0.00 55.95 57.05 2gbx s SER 120 Cb -0.11 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 2gbx s SER 120 CO 0.05 -0.58 0.25 0.20 0.98 0.00 0.00 173.24 174.14 2gbx s ASN 121 N -1.34 6.55 -0.07 7.02 -0.87 0.99 -0.80 114.94 126.42 2gbx s ASN 121 Ca -0.08 0.66 0.01 0.00 -1.57 0.00 0.00 52.86 51.89 2gbx s ASN 121 Cb -0.00 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 39.10 2gbx s ASN 121 CO 0.06 0.36 -0.10 -0.63 -2.57 0.00 0.00 177.10 174.22 2gbx s ILE 122 N -0.94 0.99 -0.31 0.60 1.01 -0.34 -0.78 121.20 121.43 2gbx s ILE 122 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2gbx s ILE 122 Cb -0.14 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.46 2gbx s ILE 122 CO 0.07 0.33 0.00 -0.22 0.00 0.00 0.00 174.94 175.13 2gbx s LEU 123 N 0.93 4.05 -0.23 2.97 2.96 -1.17 -1.48 118.68 126.72 2gbx s LEU 123 Ca -0.10 -1.52 -0.14 0.00 -0.22 0.00 0.00 54.13 52.16 2gbx s LEU 123 Cb -0.15 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2gbx s LEU 123 CO 0.01 -0.29 0.31 -0.69 -1.32 0.00 0.00 176.35 174.36 2gbx s VAL 124 N 1.15 5.25 -0.23 1.68 1.01 0.84 -1.25 120.40 128.86 2gbx s VAL 124 Ca -0.02 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 2gbx s VAL 124 Cb -0.20 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2gbx s VAL 124 CO -0.03 0.27 -0.06 -0.31 0.00 0.00 0.00 175.10 174.97 2gbx s TYR 125 N 1.36 2.97 -0.08 5.22 2.02 -0.01 -1.05 117.35 127.79 2gbx s TYR 125 Ca 0.14 -1.15 0.02 0.00 -0.37 0.00 0.00 57.07 55.71 2gbx s TYR 125 Cb -0.15 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 2gbx s TYR 125 CO 0.07 -0.62 -0.14 1.03 -1.57 0.00 0.00 175.55 174.33 2gbx s ARG 126 N 1.43 2.84 -0.00 -0.62 0.52 -0.54 -0.69 118.95 121.88 2gbx s ARG 126 Ca 0.04 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 2gbx s ARG 126 Cb -0.15 -2.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 2gbx s ARG 126 CO -0.04 0.47 -0.09 -0.80 0.02 0.00 0.00 175.30 174.86 2gbx s ASN 127 N -0.33 1.06 0.07 0.23 -0.87 -0.07 -2.00 114.94 113.03 2gbx s ASN 127 Ca 0.03 -0.18 -0.19 0.00 -1.57 0.00 0.00 52.86 50.95 2gbx s ASN 127 Cb -0.13 -0.11 0.04 0.00 -0.02 0.00 0.00 41.25 41.03 2gbx s ASN 127 CO 0.02 0.10 0.44 0.00 -2.57 0.00 0.00 177.10 175.09 2gbx s ARG 128 N -0.28 1.00 5.42 -0.60 1.70 -0.97 -0.03 118.95 125.19 2gbx s ARG 128 Ca 0.03 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 2gbx s ARG 128 Cb -0.04 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2gbx s ARG 128 CO -0.00 -0.37 0.00 0.54 -1.08 0.00 0.00 175.30 174.39 2gbx n ARG 129 N 0.23 0.00 -0.07 3.89 5.12 -1.26 -3.05 116.66 121.53 2gbx n ARG 129 Ca -0.18 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.70 2gbx n ARG 129 Cb 0.61 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.90 2gbx n ARG 129 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2gbx h GLN 130 N 0.00 0.00 0.00 5.56 1.08 -2.05 -3.44 115.11 116.26 2gbx h GLN 130 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2gbx h GLN 130 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2gbx h GLN 130 CO 0.00 0.00 -0.05 0.25 -0.95 0.00 0.00 178.83 178.08 2gbx n THR 131 N -4.54 0.87 -2.85 -0.54 -2.24 -1.26 -5.04 114.28 98.68 2gbx n THR 131 Ca -0.07 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 2gbx n THR 131 Cb 0.25 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 2gbx n THR 131 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2gbx s GLU 132 N -1.08 4.22 -0.01 -0.78 2.12 -1.17 -5.03 118.70 116.97 2gbx s GLU 132 Ca 0.07 1.03 0.01 0.00 0.36 0.00 0.00 54.97 56.44 2gbx s GLU 132 Cb 0.06 -3.63 0.01 0.00 0.26 0.00 0.00 34.13 30.83 2gbx s GLU 132 CO 0.01 -0.50 -0.01 0.08 -0.54 0.00 0.00 175.26 174.30 2gbx s VAL 133 N 2.75 0.15 0.01 3.70 1.01 -1.26 -2.29 120.40 124.47 2gbx s VAL 133 Ca 0.37 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2gbx s VAL 133 Cb -0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2gbx s VAL 133 CO 0.08 0.09 -0.04 0.42 0.00 0.00 0.00 175.10 175.66 2gbx s THR 134 N 0.49 0.25 0.03 3.92 -4.23 -0.85 -5.04 115.64 110.21 2gbx s THR 134 Ca -0.05 -0.48 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 2gbx s THR 134 Cb -0.07 -0.28 -0.02 0.00 1.34 0.00 0.00 72.50 73.47 2gbx s THR 134 CO -0.01 -0.15 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.99 2gbx s VAL 135 N -0.63 1.89 -0.02 2.29 1.01 -1.26 -1.47 120.40 122.21 2gbx s VAL 135 Ca -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2gbx s VAL 135 Cb -0.05 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2gbx s VAL 135 CO -0.00 0.36 0.02 -1.00 0.00 0.00 0.00 175.10 174.47 2gbx s HIS 136 N -0.72 0.13 -0.07 5.22 3.76 -0.21 -4.96 115.29 118.43 2gbx s HIS 136 Ca 0.10 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.12 2gbx s HIS 136 Cb -0.09 -0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.31 2gbx s HIS 136 CO 0.01 -0.09 -0.21 0.95 -0.85 0.00 0.00 174.74 174.55 2gbx s THR 137 N 0.92 2.44 -0.04 1.30 -4.23 -1.26 -0.11 115.64 114.66 2gbx s THR 137 Ca -0.08 -0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 59.25 2gbx s THR 137 Cb -0.12 -1.93 0.05 0.00 1.34 0.00 0.00 72.50 71.84 2gbx s THR 137 CO -0.02 0.57 0.55 -1.48 -0.54 0.00 0.00 174.62 173.69 2gbx s LEU 138 N -0.15 -0.13 -0.10 4.79 2.34 -0.55 -2.97 118.68 121.92 2gbx s LEU 138 Ca -0.03 0.51 -0.11 0.00 0.06 0.00 0.00 54.13 54.55 2gbx s LEU 138 Cb -0.14 2.09 -0.05 0.00 -0.56 0.00 0.00 46.19 47.53 2gbx s LEU 138 CO 0.04 -0.55 0.26 -0.83 -1.06 0.00 0.00 176.35 174.21 2gbx s GLY 139 N -1.21 2.26 -0.15 -3.48 0.00 -0.53 -1.19 107.32 103.01 2gbx s GLY 139 Ca -0.12 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.14 2gbx s GLY 139 CO 0.08 0.03 -0.17 -1.60 0.00 0.00 0.00 173.10 171.44 2gbx s ARG 140 N -0.56 3.19 -0.26 2.90 3.52 0.02 -0.15 118.95 127.62 2gbx s ARG 140 Ca 0.18 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 54.98 2gbx s ARG 140 Cb -0.14 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 2gbx s ARG 140 CO 0.06 0.04 -0.03 -1.21 -0.81 0.00 0.00 175.30 173.35 2gbx s GLU 141 N 0.76 2.95 0.11 5.12 2.02 -0.03 -1.83 118.70 127.79 2gbx s GLU 141 Ca -0.07 -0.91 0.10 0.00 0.02 0.00 0.00 54.97 54.11 2gbx s GLU 141 Cb -0.16 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 2gbx s GLU 141 CO 0.01 -0.39 -0.25 -0.51 0.02 0.00 0.00 175.26 174.14 2gbx s ASP 142 N 1.38 3.04 -0.47 -0.19 1.01 0.56 -1.01 116.67 121.00 2gbx s ASP 142 Ca 0.01 -0.70 -0.00 0.00 0.71 0.00 0.00 52.55 52.57 2gbx s ASP 142 Cb -0.16 -0.21 0.12 0.00 1.01 0.00 0.00 42.92 43.68 2gbx s ASP 142 CO -0.03 0.16 0.24 -0.54 0.21 0.00 0.00 175.17 175.21 2gbx s LYS 143 N -1.85 2.04 0.59 8.23 1.02 -0.56 -0.17 119.74 129.03 2gbx s LYS 143 Ca 0.11 -2.14 -0.11 0.00 0.02 0.00 0.00 55.97 53.85 2gbx s LYS 143 Cb -0.10 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 2gbx s LYS 143 CO 0.05 -1.08 0.99 -0.51 -0.92 0.00 0.00 175.35 173.88 2gbx s LEU 144 N 0.56 3.34 -0.05 3.17 1.43 -0.16 -2.32 118.68 124.65 2gbx s LEU 144 Ca 0.12 1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 54.58 2gbx s LEU 144 Cb -0.22 -4.40 0.03 0.00 0.03 0.00 0.00 46.19 41.63 2gbx s LEU 144 CO -0.04 -0.79 0.11 -0.60 0.23 0.00 0.00 176.35 175.26 2gbx s ARG 145 N -4.96 0.08 0.43 1.70 3.52 -0.64 -1.18 118.95 117.90 2gbx s ARG 145 Ca 0.55 0.26 -0.22 0.00 -0.13 0.00 0.00 55.73 56.19 2gbx s ARG 145 Cb -0.11 -0.11 -0.09 0.00 -1.56 0.00 0.00 34.95 33.08 2gbx s ARG 145 CO 0.50 -0.12 1.03 1.03 -0.81 0.00 0.00 175.30 176.93 2gbx s ARG 146 N 0.78 4.06 0.39 5.12 0.52 -1.18 -0.82 118.95 127.82 2gbx s ARG 146 Ca -0.06 1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 56.39 2gbx s ARG 146 Cb -0.08 -2.34 0.06 0.00 0.52 0.00 0.00 34.95 33.11 2gbx s ARG 146 CO -0.03 -0.21 0.79 0.16 0.02 0.00 0.00 175.30 176.02 2gbx s ASP 147 N -1.81 0.04 0.23 0.23 -4.77 -1.18 -4.91 116.67 104.50 2gbx s ASP 147 Ca 0.62 -1.19 -0.10 0.00 -3.30 0.00 0.00 52.55 48.58 2gbx s ASP 147 Cb -0.18 0.86 0.34 0.00 -1.09 0.00 0.00 42.92 42.85 2gbx s ASP 147 CO 0.22 -1.71 1.36 0.61 0.70 0.00 0.00 175.17 176.36 2gbx n GLY 148 N -0.54 -1.58 0.13 2.12 0.00 -1.26 -2.73 105.19 101.34 2gbx n GLY 148 Ca -0.09 0.95 -0.04 0.00 0.00 0.00 0.00 46.02 46.84 2gbx n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2gbx h ASN 149 N 0.00 -0.24 0.00 1.61 4.21 -1.98 -3.50 115.58 115.69 2gbx h ASN 149 Ca 0.38 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.90 2gbx h ASN 149 Cb 0.60 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 2gbx h ASN 149 CO -0.89 0.06 0.00 0.61 -1.29 0.00 0.00 177.43 175.92 2gbx n GLY 150 N 0.83 -2.02 3.12 2.83 0.00 -1.10 -5.17 105.19 103.67 2gbx n GLY 150 Ca -0.03 0.64 -0.07 0.00 0.00 0.00 0.00 46.02 46.55 2gbx n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gbx s PHE 151 N 0.00 0.47 -0.17 1.61 0.08 -1.26 -3.10 117.98 115.62 2gbx s PHE 151 Ca 0.00 -0.99 -0.05 0.00 0.12 0.00 0.00 56.93 56.01 2gbx s PHE 151 Cb 0.00 -0.33 0.08 0.00 -0.57 0.00 0.00 43.02 42.20 2gbx s PHE 151 CO 0.00 -0.42 0.33 0.15 -0.10 0.00 0.00 175.22 175.18 2gbx s LYS 152 N -3.92 0.24 -0.02 0.44 1.02 0.00 -4.66 119.74 112.84 2gbx s LYS 152 Ca 0.08 0.81 -0.30 0.00 0.02 0.00 0.00 55.97 56.58 2gbx s LYS 152 Cb 0.07 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2gbx s LYS 152 CO -0.09 -0.33 1.16 0.54 -0.92 0.00 0.00 175.35 175.72 2gbx s VAL 153 N 2.50 4.29 -0.31 3.17 0.11 -1.03 -1.62 120.40 127.51 2gbx s VAL 153 Ca 0.02 1.63 0.07 0.00 -2.93 0.00 0.00 61.98 60.76 2gbx s VAL 153 Cb -0.13 -4.05 -0.08 0.00 -1.53 0.00 0.00 36.38 30.60 2gbx s VAL 153 CO -0.11 0.05 0.29 2.22 -3.33 0.00 0.00 175.10 174.22 2gbx n PHE 154 N 4.72 0.00 -3.89 1.54 -1.74 -0.98 -2.14 117.46 114.97 2gbx n PHE 154 Ca 0.10 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.82 2gbx n PHE 154 Cb 0.47 -0.01 -0.16 0.00 1.52 0.00 0.00 39.48 41.30 2gbx n PHE 154 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2gbx s ARG 155 N -1.71 0.22 -0.25 3.97 1.81 -1.24 -2.32 118.95 119.43 2gbx s ARG 155 Ca 0.02 0.10 -0.04 0.00 -1.72 0.00 0.00 55.73 54.10 2gbx s ARG 155 Cb 0.05 -0.43 0.09 0.00 -0.45 0.00 0.00 34.95 34.22 2gbx s ARG 155 CO 0.29 -0.14 0.14 0.50 -0.68 0.00 0.00 175.30 175.41 2gbx s ARG 156 N 1.03 0.17 -0.33 3.54 3.52 -1.14 -1.49 118.95 124.24 2gbx s ARG 156 Ca -0.10 -0.32 -0.10 0.00 -0.13 0.00 0.00 55.73 55.09 2gbx s ARG 156 Cb -0.13 -1.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.98 2gbx s ARG 156 CO -0.02 -0.90 0.17 0.21 -0.81 0.00 0.00 175.30 173.95 2gbx s LYS 157 N 2.16 3.12 -0.17 5.12 2.20 -0.18 -1.22 119.74 130.76 2gbx s LYS 157 Ca 0.07 -0.87 -0.09 0.00 -0.36 0.00 0.00 55.97 54.73 2gbx s LYS 157 Cb -0.16 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 2gbx s LYS 157 CO -0.27 -0.53 0.12 -0.51 -0.36 0.00 0.00 175.35 173.79 2gbx s LEU 158 N 1.58 4.16 -0.28 5.43 1.43 -0.01 -0.85 118.68 130.15 2gbx s LEU 158 Ca 0.03 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2gbx s LEU 158 Cb -0.18 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.05 2gbx s LEU 158 CO 0.06 0.24 -0.06 -0.63 0.23 0.00 0.00 176.35 176.19 2gbx s ILE 159 N 0.01 2.41 0.33 -0.59 1.01 0.79 -3.91 121.20 121.25 2gbx s ILE 159 Ca 0.09 -1.65 -0.27 0.00 0.00 0.00 0.00 60.65 58.81 2gbx s ILE 159 Cb -0.11 -2.45 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 2gbx s ILE 159 CO -0.00 -0.12 1.08 -0.76 0.00 0.00 0.00 174.94 175.14 2gbx s LEU 160 N 1.12 4.37 -0.12 2.97 1.43 -1.26 -1.45 118.68 125.74 2gbx s LEU 160 Ca -0.06 2.17 -0.13 0.00 -1.03 0.00 0.00 54.13 55.09 2gbx s LEU 160 Cb -0.20 -3.87 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 2gbx s LEU 160 CO -0.04 -0.30 0.30 0.44 0.23 0.00 0.00 176.35 176.98 2gbx h ASP 161 N 3.24 0.00 -3.60 2.29 3.32 -1.94 -3.46 116.42 116.27 2gbx h ASP 161 Ca -0.47 -0.41 -0.52 0.00 0.02 0.00 0.00 57.03 55.65 2gbx h ASP 161 Cb 1.21 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.79 2gbx h ASP 161 CO 0.65 0.75 0.54 0.00 -1.72 0.00 0.00 179.24 179.46 2gbx s ALA 162 N -2.42 3.43 -0.04 3.45 0.00 -1.26 -4.97 121.76 119.95 2gbx s ALA 162 Ca -0.09 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 2gbx s ALA 162 Cb -0.01 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 2gbx s ALA 162 CO 0.30 -0.34 0.99 -0.09 0.00 0.00 0.00 175.76 176.62 2gbx h ARG 163 N 4.73 -0.17 -5.33 0.00 9.65 -1.93 -3.42 114.38 117.90 2gbx h ARG 163 Ca -0.45 0.01 -0.62 0.00 -1.10 0.00 0.00 59.98 57.82 2gbx h ARG 163 Cb 1.21 0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 29.71 2gbx h ARG 163 CO 0.72 0.28 -0.09 0.08 2.80 0.00 0.00 179.97 183.76 2gbx s VAL 164 N -3.66 5.11 -0.35 0.20 1.01 -1.26 -5.03 120.40 116.42 2gbx s VAL 164 Ca -0.14 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 2gbx s VAL 164 Cb 0.01 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2gbx s VAL 164 CO 0.53 0.13 1.39 -0.89 0.00 0.00 0.00 175.10 176.27 2gbx s THR 165 N 2.07 3.97 -1.41 3.92 2.01 -1.26 -4.92 115.64 120.01 2gbx s THR 165 Ca 0.20 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 63.13 2gbx s THR 165 Cb -0.16 -4.14 0.07 0.00 0.01 0.00 0.00 72.50 68.29 2gbx s THR 165 CO 0.09 -0.61 2.25 0.00 -0.69 0.00 0.00 174.62 175.66 2gbx n GLN 166 N 7.76 3.47 -3.50 4.92 6.02 -1.26 -4.83 117.38 129.96 2gbx n GLN 166 Ca 0.16 -2.96 -0.09 0.00 -0.01 0.00 0.00 57.00 54.10 2gbx n GLN 166 Cb 0.47 -3.01 -0.02 0.00 1.02 0.00 0.00 30.24 28.70 2gbx n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2gbx s ASP 167 N 1.88 -0.40 0.24 1.08 -1.08 -1.26 -4.77 116.67 112.36 2gbx s ASP 167 Ca 0.49 0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 52.49 2gbx s ASP 167 Cb 0.14 0.41 0.23 0.00 -1.46 0.00 0.00 42.92 42.25 2gbx s ASP 167 CO -0.05 -0.66 1.85 0.11 0.52 0.00 0.00 175.17 176.94 2gbx h LYS 168 N 2.05 1.22 -3.23 4.34 1.57 -2.02 -3.46 116.57 117.03 2gbx h LYS 168 Ca -0.24 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2gbx h LYS 168 Cb 1.25 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 2gbx h LYS 168 CO 0.32 0.90 0.13 0.54 -0.57 0.00 0.00 179.45 180.77 2gbx s ASN 169 N -6.28 -0.08 -0.34 0.86 2.20 -1.26 -5.05 114.94 104.99 2gbx s ASN 169 Ca -0.12 -0.86 0.06 0.00 -0.94 0.00 0.00 52.86 51.00 2gbx s ASN 169 Cb 0.17 0.72 0.46 0.00 -2.00 0.00 0.00 41.25 40.60 2gbx s ASN 169 CO 0.83 -1.37 1.38 0.18 -2.94 0.00 0.00 177.10 175.18 2gbx n LEU 170 N -0.46 4.99 -4.43 3.54 4.77 -1.26 -4.95 117.00 119.19 2gbx n LEU 170 Ca -0.04 -4.42 -0.43 0.00 -0.03 0.00 0.00 56.01 51.09 2gbx n LEU 170 Cb 0.60 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2gbx n LEU 170 CO 0.20 1.79 1.83 0.00 -1.33 0.00 0.00 177.39 179.88 2gbx n TYR 171 N -0.86 4.58 -3.56 -1.77 9.36 -1.26 -4.85 117.16 118.79 2gbx n TYR 171 Ca 0.42 -3.03 -0.16 0.00 3.32 0.00 0.00 57.90 58.45 2gbx n TYR 171 Cb 0.90 -2.43 -0.06 0.00 -0.63 0.00 0.00 39.34 37.12 2gbx n TYR 171 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 2gbx s PHE 172 N 2.96 -0.67 -0.04 2.98 -0.71 -1.26 -5.15 117.98 116.08 2gbx s PHE 172 Ca 0.49 1.34 -0.26 0.00 -1.04 0.00 0.00 56.93 57.45 2gbx s PHE 172 Cb 0.03 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 2gbx s PHE 172 CO 0.03 -0.51 0.82 -0.06 -1.34 0.00 0.00 175.22 174.17 2gbx s PHE 173 N -0.66 3.60 0.00 3.49 0.08 -1.26 -5.21 117.98 118.03 2gbx s PHE 173 Ca -0.06 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.42 2gbx s PHE 173 Cb -0.02 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 2gbx s PHE 173 CO 0.06 0.03 0.00 0.00 -0.10 0.00 0.00 175.22 175.21