#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 5.24 0.45 1.69 1.01 -1.26 -4.95 121.20 123.38 2gbx s ILE 6 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 2gbx s ILE 6 Cb 0.00 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.86 2gbx s ILE 6 CO 0.00 0.21 1.39 -2.84 0.00 0.00 0.00 174.94 173.70 2gbx s PRO 7 N 1.74 3.68 0.72 2.79 0.02 -1.26 -0.20 135.00 142.49 2gbx s PRO 7 Ca 0.07 2.34 -0.12 0.00 0.02 0.00 0.00 61.00 63.31 2gbx s PRO 7 Cb -0.16 -2.63 0.03 0.00 0.02 0.00 0.00 34.50 31.76 2gbx s PRO 7 CO 0.10 -0.79 1.08 0.14 -0.33 0.00 0.00 177.00 177.20 2gbx s VAL 8 N -1.23 3.58 0.68 3.83 -7.23 -1.12 -4.81 120.40 114.10 2gbx s VAL 8 Ca 0.61 0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 61.22 2gbx s VAL 8 Cb -0.42 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.39 2gbx s VAL 8 CO 0.54 -0.63 1.07 0.42 -0.31 0.00 0.00 175.10 176.19 2gbx s THR 9 N -2.84 3.69 0.41 5.32 -4.23 -1.26 -4.79 115.64 111.94 2gbx s THR 9 Ca 0.61 0.65 0.15 0.00 -1.18 0.00 0.00 61.69 61.92 2gbx s THR 9 Cb -0.16 -3.24 0.35 0.00 1.34 0.00 0.00 72.50 70.79 2gbx s THR 9 CO 0.52 -0.61 1.90 -0.65 -0.54 0.00 0.00 174.62 175.24 2gbx h PRO 10 N -0.37 0.45 -0.51 3.99 0.11 -1.99 0.33 132.00 134.01 2gbx h PRO 10 Ca -0.45 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 2gbx h PRO 10 Cb 1.22 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2gbx h PRO 10 CO 0.55 0.30 -0.14 -0.44 -0.21 0.00 0.00 178.00 178.06 2gbx h ASP 11 N 0.46 1.01 0.23 -2.05 3.32 -2.01 -2.71 116.42 114.68 2gbx h ASP 11 Ca 0.40 -0.37 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 2gbx h ASP 11 Cb 0.87 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2gbx h ASP 11 CO -0.14 1.15 -0.67 0.58 -1.72 0.00 0.00 179.24 178.44 2gbx h VAL 12 N 0.87 1.37 -0.80 -1.35 2.07 -1.68 -3.16 116.25 113.57 2gbx h VAL 12 Ca 0.13 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 2gbx h VAL 12 Cb 0.71 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 2gbx h VAL 12 CO 0.05 0.62 0.46 -0.74 0.02 0.00 0.00 177.57 177.98 2gbx h HIS 13 N 0.29 1.08 -0.55 1.57 -0.00 -0.87 -2.12 115.15 114.54 2gbx h HIS 13 Ca -0.02 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.24 2gbx h HIS 13 Cb 1.23 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 28.27 2gbx h HIS 13 CO 0.04 0.74 -0.04 -0.92 -0.00 0.00 0.00 177.93 177.75 2gbx h TYR 14 N 1.11 1.10 -0.54 5.26 3.20 -1.50 -0.50 116.97 125.10 2gbx h TYR 14 Ca 0.29 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2gbx h TYR 14 Cb -0.00 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 2gbx h TYR 14 CO 0.01 1.00 0.12 -0.44 -1.64 0.00 0.00 178.16 177.21 2gbx h ASP 15 N 0.88 0.79 -0.04 -2.11 5.19 -1.43 0.53 116.42 120.22 2gbx h ASP 15 Ca 0.15 -0.14 -0.22 0.00 -0.62 0.00 0.00 57.03 56.20 2gbx h ASP 15 Cb 0.59 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.90 2gbx h ASP 15 CO 0.04 0.78 -0.77 0.40 -3.12 0.00 0.00 179.24 176.56 2gbx h ILE 16 N 0.81 1.30 -0.26 0.35 2.04 -1.32 -1.67 117.51 118.75 2gbx h ILE 16 Ca 0.18 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.00 2gbx h ILE 16 Cb 0.31 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2gbx h ILE 16 CO -0.00 0.63 0.12 -0.33 0.00 0.00 0.00 178.15 178.57 2gbx h GLU 17 N 0.48 0.39 -0.01 2.37 4.39 -0.63 -1.93 114.58 119.63 2gbx h GLU 17 Ca -0.05 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2gbx h GLU 17 Cb 1.39 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 2gbx h GLU 17 CO 0.15 0.40 -0.30 0.00 -1.16 0.00 0.00 179.01 178.10 2gbx h ALA 18 N 0.97 1.49 -0.16 3.43 0.00 0.01 -1.65 119.26 123.35 2gbx h ALA 18 Ca 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2gbx h ALA 18 Cb 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2gbx h ALA 18 CO -0.01 0.38 -0.06 1.25 0.00 0.00 0.00 179.25 180.81 2gbx h HIS 19 N 0.01 0.38 -0.20 0.00 -0.00 -1.08 -1.52 115.15 112.73 2gbx h HIS 19 Ca -0.00 -0.09 -0.08 0.00 -0.00 0.00 0.00 60.37 60.20 2gbx h HIS 19 Cb 0.54 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 2gbx h HIS 19 CO 0.00 0.63 -0.20 1.88 -0.00 0.00 0.00 177.93 180.24 2gbx h TYR 20 N 0.02 0.39 -0.43 5.26 0.05 -1.20 0.37 116.97 121.43 2gbx h TYR 20 Ca 0.04 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 2gbx h TYR 20 Cb 0.53 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2gbx h TYR 20 CO 0.06 0.55 -0.08 0.00 -1.05 0.00 0.00 178.16 177.64 2gbx h ARG 21 N 0.33 0.82 -0.09 4.88 3.08 -1.25 0.21 114.38 122.36 2gbx h ARG 21 Ca 0.06 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 2gbx h ARG 21 Cb 0.55 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2gbx h ARG 21 CO 0.04 0.93 -0.38 0.00 -1.07 0.00 0.00 179.97 179.49 2gbx h ALA 22 N 0.87 1.19 -0.40 0.04 0.00 -1.07 -2.41 119.26 117.48 2gbx h ALA 22 Ca 0.11 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2gbx h ALA 22 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2gbx h ALA 22 CO 0.04 0.55 -0.19 1.49 0.00 0.00 0.00 179.25 181.14 2gbx h GLU 23 N 0.17 0.84 -0.81 0.00 4.81 -0.69 -2.97 114.58 115.92 2gbx h GLU 23 Ca 0.02 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 2gbx h GLU 23 Cb 0.75 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2gbx h GLU 23 CO 0.06 1.00 0.35 0.28 -0.73 0.00 0.00 179.01 179.97 2gbx h VAL 24 N 0.65 1.26 -0.67 0.32 2.07 -0.83 -2.86 116.25 116.21 2gbx h VAL 24 Ca 0.09 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2gbx h VAL 24 Cb 0.75 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2gbx h VAL 24 CO 0.06 0.33 0.39 -0.09 0.02 0.00 0.00 177.57 178.28 2gbx h ARG 25 N 1.17 0.90 -0.25 1.57 2.43 -1.38 -2.06 114.38 116.76 2gbx h ARG 25 Ca 0.27 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 2gbx h ARG 25 Cb 0.18 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2gbx h ARG 25 CO -0.03 0.64 -0.39 0.52 -1.51 0.00 0.00 179.97 179.20 2gbx h MET 26 N 0.92 0.58 -0.35 0.20 2.86 -1.35 -0.30 114.93 117.48 2gbx h MET 26 Ca 0.24 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 2gbx h MET 26 Cb -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2gbx h MET 26 CO -0.04 0.87 -0.25 0.74 1.06 0.00 0.00 176.91 179.29 2gbx h PHE 27 N 0.48 0.93 -0.37 -0.22 0.04 -1.32 0.42 116.94 116.89 2gbx h PHE 27 Ca 0.04 -0.25 -0.16 0.00 2.80 0.00 0.00 57.97 60.40 2gbx h PHE 27 Cb 0.89 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2gbx h PHE 27 CO 0.04 1.01 -0.39 1.96 -0.60 0.00 0.00 178.31 180.33 2gbx h GLN 28 N 0.57 0.91 0.00 1.51 4.20 -1.29 -3.02 115.11 117.99 2gbx h GLN 28 Ca 0.07 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2gbx h GLN 28 Cb 0.81 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2gbx h GLN 28 CO 0.07 1.13 -0.07 0.25 -0.67 0.00 0.00 178.83 179.54 2gbx n THR 29 N -4.05 0.50 -2.49 -0.54 -2.24 -0.13 -4.86 114.28 100.47 2gbx n THR 29 Ca -0.02 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.50 2gbx n THR 29 Cb 0.55 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2gbx n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbx n GLY 30 N 1.33 0.88 2.83 3.38 0.00 -0.29 -5.00 105.19 108.32 2gbx n GLY 30 Ca 0.05 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.65 3.93 0.09 1.61 6.02 0.13 -4.85 117.38 123.65 2gbx n GLN 31 Ca -0.00 -4.60 -0.08 0.00 -0.01 0.00 0.00 57.00 52.31 2gbx n GLN 31 Cb 0.50 -2.43 -0.03 0.00 1.02 0.00 0.00 30.24 29.29 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 5.03 0.18 -0.43 1.08 0.05 -1.95 -3.06 116.97 117.87 2gbx h TYR 32 Ca 0.20 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 2gbx h TYR 32 Cb 0.62 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 2gbx h TYR 32 CO 0.93 0.97 0.02 0.00 -1.05 0.00 0.00 178.16 179.03 2gbx h ARG 33 N 0.06 0.75 -0.32 4.88 3.08 -1.93 0.05 114.38 120.95 2gbx h ARG 33 Ca -0.04 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 2gbx h ARG 33 Cb 1.58 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 2gbx h ARG 33 CO 0.13 0.81 -0.19 1.49 -1.07 0.00 0.00 179.97 181.14 2gbx h GLU 34 N 0.59 0.60 -0.38 0.04 4.81 -1.98 -2.74 114.58 115.52 2gbx h GLU 34 Ca 0.12 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2gbx h GLU 34 Cb 0.46 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2gbx h GLU 34 CO 0.02 0.76 0.01 2.35 -0.73 0.00 0.00 179.01 181.42 2gbx h TRP 35 N 0.54 0.73 -0.33 0.92 7.01 -1.41 -0.73 115.95 122.67 2gbx h TRP 35 Ca 0.08 -0.12 -0.04 0.00 2.11 0.00 0.00 58.89 60.92 2gbx h TRP 35 Cb 0.63 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 2gbx h TRP 35 CO 0.03 0.75 0.03 1.25 -2.79 0.00 0.00 178.44 177.70 2gbx h LEU 36 N 0.49 0.46 0.03 0.65 5.85 -0.77 -1.15 115.31 120.87 2gbx h LEU 36 Ca 0.11 -0.07 -0.37 0.00 0.84 0.00 0.00 57.88 58.39 2gbx h LEU 36 Cb 0.45 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2gbx h LEU 36 CO 0.02 0.51 -2.25 0.00 -0.34 0.00 0.00 178.44 176.37 2gbx n GLN 37 N -4.31 0.68 0.02 1.25 10.64 -1.05 -4.02 117.38 120.60 2gbx n GLN 37 Ca 0.01 0.16 -0.10 0.00 -1.83 0.00 0.00 57.00 55.24 2gbx n GLN 37 Cb 0.22 -1.60 -0.13 0.00 -0.86 0.00 0.00 30.24 27.86 2gbx n GLN 37 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2gbx h GLY 38 N 2.35 0.07 -0.11 2.61 0.00 -1.14 -3.39 103.07 103.46 2gbx h GLY 38 Ca -0.50 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2gbx h GLY 38 CO -0.00 0.16 0.00 1.03 0.00 0.00 0.00 176.54 177.73 2gbx n MET 39 N -3.23 1.91 -4.21 4.80 2.81 -0.44 -4.78 117.12 113.98 2gbx n MET 39 Ca -0.13 -1.28 -0.19 0.00 -1.81 0.00 0.00 57.70 54.29 2gbx n MET 39 Cb 1.02 -1.02 -0.16 0.00 -0.71 0.00 0.00 33.22 32.35 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 -0.75 0.56 0.74 2.03 1.01 -1.16 -2.46 120.40 120.37 2gbx s VAL 40 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 2gbx s VAL 40 Cb 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.88 2gbx s VAL 40 CO 0.01 0.21 1.08 0.00 0.00 0.00 0.00 175.10 176.40 2gbx s ALA 41 N 0.59 2.54 -0.97 5.51 0.00 -0.42 -4.60 121.76 124.41 2gbx s ALA 41 Ca -0.08 -0.12 0.29 0.00 0.00 0.00 0.00 51.96 52.04 2gbx s ALA 41 Cb -0.11 -3.12 1.18 0.00 0.00 0.00 0.00 23.12 21.07 2gbx s ALA 41 CO 0.00 -1.41 1.90 0.39 0.00 0.00 0.00 175.76 176.64 2gbx n GLU 42 N -3.23 0.03 -1.44 0.00 1.02 -1.26 -2.96 120.64 112.79 2gbx n GLU 42 Ca 0.07 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.98 2gbx n GLU 42 Cb 0.55 -1.53 0.09 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.58 5.66 -4.77 1.62 5.75 -1.26 -4.47 116.55 117.49 2gbx n ASP 43 Ca 0.07 -3.76 -0.37 0.00 -0.01 0.00 0.00 54.79 50.71 2gbx n ASP 43 Cb 0.35 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 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 -4.36 3.50 -0.41 2.12 1.10 -1.16 -4.78 121.20 117.22 2gbx s ILE 44 Ca 0.57 1.21 0.02 0.00 -0.51 0.00 0.00 60.65 61.94 2gbx s ILE 44 Cb 0.46 -3.66 0.12 0.00 0.15 0.00 0.00 42.46 39.53 2gbx s ILE 44 CO 0.02 0.07 0.18 -2.28 -2.11 0.00 0.00 174.94 170.81 2gbx s HIS 45 N -1.53 2.51 -0.39 3.50 5.65 -0.93 -3.82 115.29 120.29 2gbx s HIS 45 Ca 0.57 -2.55 -0.27 0.00 0.25 0.00 0.00 55.06 53.06 2gbx s HIS 45 Cb -0.26 -2.25 0.02 0.00 -1.18 0.00 0.00 32.58 28.91 2gbx s HIS 45 CO 0.32 -0.83 1.00 -0.47 -0.65 0.00 0.00 174.74 174.12 2gbx s TYR 46 N 0.60 3.02 -0.04 3.88 5.04 -0.67 -2.29 117.35 126.89 2gbx s TYR 46 Ca 0.15 0.80 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 2gbx s TYR 46 Cb -0.22 -3.87 0.01 0.00 0.35 0.00 0.00 41.96 38.23 2gbx s TYR 46 CO -0.07 -0.94 -0.08 -0.46 -1.34 0.00 0.00 175.55 172.66 2gbx s TRP 47 N 3.76 0.95 -0.37 4.97 -0.00 -0.12 -0.77 118.94 127.36 2gbx s TRP 47 Ca 0.42 -0.28 0.01 0.00 -0.00 0.00 0.00 56.10 56.25 2gbx s TRP 47 Cb -0.11 -0.73 0.15 0.00 -0.00 0.00 0.00 33.47 32.78 2gbx s TRP 47 CO 0.22 -0.16 0.24 1.41 -0.00 0.00 0.00 176.95 178.66 2gbx s MET 48 N 0.54 0.70 0.68 5.86 -2.45 -0.09 -0.90 119.30 123.62 2gbx s MET 48 Ca -0.09 -1.55 -0.13 0.00 -1.25 0.00 0.00 55.69 52.67 2gbx s MET 48 Cb -0.12 -1.43 0.01 0.00 1.25 0.00 0.00 34.83 34.54 2gbx s MET 48 CO 0.01 -1.24 1.09 -1.25 1.05 0.00 0.00 175.02 174.67 2gbx s PRO 49 N 0.79 2.81 -0.67 4.11 0.04 -1.26 -1.11 135.00 139.71 2gbx s PRO 49 Ca 0.21 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 2gbx s PRO 49 Cb -0.18 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.53 2gbx s PRO 49 CO -0.03 -1.22 0.75 0.42 0.04 0.00 0.00 177.00 176.96 2gbx s ILE 50 N -2.60 4.98 0.29 0.56 1.01 -1.19 -4.79 121.20 119.47 2gbx s ILE 50 Ca 0.63 -1.38 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 2gbx s ILE 50 Cb -0.18 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.69 2gbx s ILE 50 CO 0.46 -1.14 1.05 -0.31 0.00 0.00 0.00 174.94 174.99 2gbx s TYR 51 N 2.15 3.63 0.21 3.97 2.02 -1.26 -4.91 117.35 123.15 2gbx s TYR 51 Ca 0.15 1.75 0.11 0.00 -0.37 0.00 0.00 57.07 58.71 2gbx s TYR 51 Cb -0.20 -3.17 -0.05 0.00 -0.40 0.00 0.00 41.96 38.15 2gbx s TYR 51 CO 0.01 -0.29 -0.23 -1.83 -1.57 0.00 0.00 175.55 171.64 2gbx s GLU 52 N -1.60 1.54 -0.43 -0.62 -1.05 -1.26 -4.96 118.70 110.32 2gbx s GLU 52 Ca 0.46 -1.56 -0.29 0.00 -0.15 0.00 0.00 54.97 53.44 2gbx s GLU 52 Cb -0.28 -1.84 0.01 0.00 -0.44 0.00 0.00 34.13 31.58 2gbx s GLU 52 CO 0.36 0.39 1.43 -0.65 0.95 0.00 0.00 175.26 177.73 2gbx s GLN 53 N -2.79 3.52 0.36 -4.83 -1.52 -1.26 -4.99 119.66 108.15 2gbx s GLN 53 Ca 0.22 0.87 0.08 0.00 -1.95 0.00 0.00 55.36 54.59 2gbx s GLN 53 Cb -0.07 -4.05 -0.05 0.00 -0.22 0.00 0.00 33.01 28.62 2gbx s GLN 53 CO 0.11 -1.64 0.11 1.03 -0.25 0.00 0.00 175.29 174.64 2gbx s ARG 54 N 5.07 2.22 0.53 2.91 0.52 -1.26 -5.14 118.95 123.80 2gbx s ARG 54 Ca 0.61 -1.72 -0.13 0.00 -0.52 0.00 0.00 55.73 53.97 2gbx s ARG 54 Cb -0.13 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.25 2gbx s ARG 54 CO 0.32 0.05 0.95 -0.51 0.02 0.00 0.00 175.30 176.13 2gbx s LEU 55 N -3.82 3.53 0.36 2.53 1.43 -1.26 -4.98 118.68 116.47 2gbx s LEU 55 Ca 0.38 1.42 0.12 0.00 -1.03 0.00 0.00 54.13 55.02 2gbx s LEU 55 Cb 0.01 -4.38 0.68 0.00 0.03 0.00 0.00 46.19 42.52 2gbx s LEU 55 CO 0.21 -0.65 1.80 0.74 0.23 0.00 0.00 176.35 178.69 2gbx h THR 56 N 0.52 1.28 0.00 5.49 2.02 -2.04 -2.47 112.91 117.71 2gbx h THR 56 Ca -0.46 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.36 2gbx h THR 56 Cb 1.19 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 2gbx h THR 56 CO 0.62 0.39 0.00 -2.11 0.37 0.00 0.00 175.52 174.79 2gbx n ARG 57 N -4.07 0.20 -2.00 6.66 1.85 -1.26 -4.79 116.66 113.25 2gbx n ARG 57 Ca -0.02 0.33 -0.42 0.00 -1.00 0.00 0.00 57.85 56.75 2gbx n ARG 57 Cb 0.43 -1.82 -0.02 0.00 -1.05 0.00 0.00 32.46 29.99 2gbx n ARG 57 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2gbx s ASP 58 N -4.25 6.64 -0.09 2.89 -1.08 -0.93 -4.94 116.67 114.91 2gbx s ASP 58 Ca 0.07 2.65 0.13 0.00 -0.52 0.00 0.00 52.55 54.87 2gbx s ASP 58 Cb 0.11 -2.61 0.30 0.00 -1.46 0.00 0.00 42.92 39.25 2gbx s ASP 58 CO 0.46 -0.73 1.22 0.54 0.52 0.00 0.00 175.17 177.18 2gbx n ARG 59 N 2.79 2.45 -2.39 4.34 1.74 -1.26 -4.98 116.66 119.35 2gbx n ARG 59 Ca 0.09 -2.32 -0.37 0.00 -0.77 0.00 0.00 57.85 54.48 2gbx n ARG 59 Cb 0.40 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 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 -2.09 3.92 0.59 5.56 0.52 -1.26 -5.02 118.95 121.17 2gbx s ARG 60 Ca 0.26 1.64 -0.16 0.00 -0.52 0.00 0.00 55.73 56.96 2gbx s ARG 60 Cb 0.21 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 2gbx s ARG 60 CO 0.07 -0.39 1.05 -1.25 0.02 0.00 0.00 175.30 174.80 2gbx s PRO 61 N -2.66 3.40 0.75 3.54 0.04 -1.26 -5.02 135.00 133.78 2gbx s PRO 61 Ca 0.62 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2gbx s PRO 61 Cb -0.25 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.29 2gbx s PRO 61 CO 0.31 -0.74 1.13 -0.51 0.04 0.00 0.00 177.00 177.23 2gbx s ASP 62 N -2.90 4.36 0.23 6.66 1.11 -1.26 -4.92 116.67 119.95 2gbx s ASP 62 Ca 0.62 2.07 -0.31 0.00 0.18 0.00 0.00 52.55 55.11 2gbx s ASP 62 Cb -0.15 -2.55 -0.14 0.00 1.07 0.00 0.00 42.92 41.14 2gbx s ASP 62 CO 0.37 -2.14 1.20 -2.65 1.18 0.00 0.00 175.17 173.14 2gbx n PRO 63 N -3.09 1.49 -4.12 8.23 -0.02 -1.26 -5.02 135.00 131.21 2gbx n PRO 63 Ca 0.11 0.53 -0.24 0.00 -2.02 0.00 0.00 63.50 61.88 2gbx n PRO 63 Cb 0.52 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.39 2.54 0.59 3.45 -4.23 -1.26 -5.02 115.64 111.31 2gbx s THR 64 Ca 0.68 -1.72 0.29 0.00 -1.18 0.00 0.00 61.69 59.76 2gbx s THR 64 Cb -0.75 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 70.48 2gbx s THR 64 CO 0.54 -0.07 2.15 -0.65 -0.54 0.00 0.00 174.62 176.04 2gbx h PRO 65 N 1.49 0.00 0.00 3.99 0.11 -1.95 -1.16 132.00 134.47 2gbx h PRO 65 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 2gbx h PRO 65 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2gbx h PRO 65 CO 0.67 0.00 -0.38 0.22 -0.21 0.00 0.00 178.00 178.30 2gbx h ASP 66 N 0.00 0.00 -3.98 -2.05 3.58 -2.01 -3.45 116.42 108.51 2gbx h ASP 66 Ca 0.06 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.06 2gbx h ASP 66 Cb 0.33 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.55 2gbx h ASP 66 CO -0.00 0.38 0.42 -1.81 -2.88 0.00 0.00 179.24 175.35 2gbx s ASP 67 N -6.70 3.09 0.48 2.28 1.01 -0.44 -5.02 116.67 111.38 2gbx s ASP 67 Ca -0.02 0.24 -0.23 0.00 0.71 0.00 0.00 52.55 53.25 2gbx s ASP 67 Cb 0.13 -0.27 -0.07 0.00 1.01 0.00 0.00 42.92 43.72 2gbx s ASP 67 CO 0.70 -2.75 1.27 0.00 0.21 0.00 0.00 175.17 174.61 2gbx s ALA 68 N -3.89 2.97 -0.21 5.23 0.00 -1.26 -4.90 121.76 119.70 2gbx s ALA 68 Ca 0.74 1.15 -0.27 0.00 0.00 0.00 0.00 51.96 53.59 2gbx s ALA 68 Cb -0.04 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.69 2gbx s ALA 68 CO 0.53 -0.97 0.75 0.00 0.00 0.00 0.00 175.76 176.07 2gbx s ALA 69 N -1.39 -1.80 0.12 0.00 0.00 -1.26 -3.14 121.76 114.28 2gbx s ALA 69 Ca 0.65 1.81 -0.16 0.00 0.00 0.00 0.00 51.96 54.26 2gbx s ALA 69 Cb -0.35 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2gbx s ALA 69 CO 0.43 -0.34 1.59 0.82 0.00 0.00 0.00 175.76 178.26 2gbx h ILE 70 N 3.64 1.24 -4.14 0.00 2.04 -1.42 -3.42 117.51 115.45 2gbx h ILE 70 Ca -0.28 -0.87 -0.69 0.00 1.00 0.00 0.00 64.86 64.02 2gbx h ILE 70 Cb 1.16 1.11 -0.26 0.00 -0.74 0.00 0.00 36.82 38.08 2gbx h ILE 70 CO 0.16 0.29 -0.82 -0.31 0.00 0.00 0.00 178.15 177.47 2gbx s TYR 71 N -5.15 2.57 -0.43 1.37 2.02 -1.22 -4.96 117.35 111.56 2gbx s TYR 71 Ca -0.13 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.29 2gbx s TYR 71 Cb 0.09 -1.61 0.33 0.00 -0.40 0.00 0.00 41.96 40.38 2gbx s TYR 71 CO 0.77 0.05 1.20 -1.71 -1.57 0.00 0.00 175.55 174.29 2gbx n ASN 72 N 2.51 -2.09 -4.67 2.29 2.85 -1.09 -0.91 115.26 114.15 2gbx n ASN 72 Ca -0.17 -3.16 -0.30 0.00 -0.11 0.00 0.00 54.58 50.84 2gbx n ASN 72 Cb 0.52 1.62 -0.08 0.00 1.24 0.00 0.00 39.78 43.07 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 -1.10 4.92 0.35 1.20 1.01 0.05 -4.95 116.67 118.14 2gbx s ASP 73 Ca 0.21 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.27 2gbx s ASP 73 Cb 0.31 -1.15 0.00 0.00 1.01 0.00 0.00 42.92 43.09 2gbx s ASP 73 CO -0.07 0.19 0.00 -0.90 0.21 0.00 0.00 175.17 174.59 2gbx n ASP 74 N 0.67 0.00 -0.08 0.27 5.68 -1.26 -1.67 116.55 120.16 2gbx n ASP 74 Ca -0.12 -0.82 -0.11 0.00 -0.50 0.00 0.00 54.79 53.24 2gbx n ASP 74 Cb 0.52 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.46 2gbx n ASP 74 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2gbx h PHE 75 N -0.35 0.41 -0.39 2.11 3.57 -1.78 -1.71 116.94 118.80 2gbx h PHE 75 Ca 0.00 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 2gbx h PHE 75 Cb 0.00 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2gbx h PHE 75 CO 0.00 0.52 -0.03 0.78 -2.23 0.00 0.00 178.31 177.35 2gbx h GLY 76 N 0.19 0.68 2.00 2.40 0.00 -1.95 -0.80 103.07 105.59 2gbx h GLY 76 Ca 0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2gbx h GLY 76 CO 0.01 0.41 -0.39 0.83 0.00 0.00 0.00 176.54 177.39 2gbx h GLU 77 N 0.60 0.00 -0.11 4.80 5.08 -1.92 -0.63 114.58 122.40 2gbx h GLU 77 Ca 0.12 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 2gbx h GLU 77 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2gbx h GLU 77 CO 0.02 0.39 -0.84 -0.07 -1.00 0.00 0.00 179.01 177.51 2gbx h LEU 78 N 0.00 0.88 -1.45 1.33 3.38 -0.98 -2.99 115.31 115.48 2gbx h LEU 78 Ca -0.00 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 2gbx h LEU 78 Cb 1.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2gbx h LEU 78 CO 0.05 1.41 -0.18 0.50 0.09 0.00 0.00 178.44 180.30 2gbx h LYS 79 N 0.47 0.13 -0.75 1.13 3.64 -0.95 -0.48 116.57 119.77 2gbx h LYS 79 Ca -0.07 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2gbx h LYS 79 Cb 1.47 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.24 2gbx h LYS 79 CO 0.17 0.32 0.27 0.37 -2.27 0.00 0.00 179.45 178.30 2gbx h GLN 80 N 0.12 1.14 -0.01 1.90 4.15 -1.10 -2.53 115.11 118.78 2gbx h GLN 80 Ca 0.02 -0.22 -0.24 0.00 0.77 0.00 0.00 58.65 58.98 2gbx h GLN 80 Cb 0.40 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 27.92 2gbx h GLN 80 CO 0.03 0.94 -0.97 0.00 -1.93 0.00 0.00 178.83 176.89 2gbx h ARG 81 N 1.10 0.53 -0.29 1.69 3.08 -1.25 -3.28 114.38 115.96 2gbx h ARG 81 Ca 0.25 -0.57 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 2gbx h ARG 81 Cb 0.25 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2gbx h ARG 81 CO -0.02 1.19 -0.19 0.28 -1.07 0.00 0.00 179.97 180.17 2gbx h VAL 82 N 0.30 1.30 0.00 2.04 2.07 -1.07 -3.18 116.25 117.71 2gbx h VAL 82 Ca -0.10 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2gbx h VAL 82 Cb 1.61 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2gbx h VAL 82 CO 0.18 0.42 0.00 -0.33 0.02 0.00 0.00 177.57 177.86 2gbx h GLU 83 N 0.38 0.00 -0.20 1.57 4.39 -1.58 -2.62 114.58 116.52 2gbx h GLU 83 Ca 0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2gbx h GLU 83 Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2gbx h GLU 83 CO 0.05 0.00 0.05 -0.09 -1.16 0.00 0.00 179.01 177.86 2gbx h ARG 84 N 0.00 0.31 -0.08 2.33 2.43 -1.61 -2.23 114.38 115.54 2gbx h ARG 84 Ca 0.00 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 2gbx h ARG 84 Cb 0.49 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2gbx h ARG 84 CO 0.00 0.43 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.42 2gbx h LEU 85 N 0.14 0.17 0.00 3.80 3.38 -1.58 -3.03 115.31 118.19 2gbx h LEU 85 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gbx h LEU 85 Cb 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2gbx h LEU 85 CO -0.00 0.56 -0.09 0.22 0.09 0.00 0.00 178.44 179.23 2gbx h TYR 86 N 0.14 0.00 0.00 1.13 3.20 -1.40 -3.41 116.97 116.63 2gbx h TYR 86 Ca 0.01 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.67 2gbx h TYR 86 Cb 0.78 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2gbx h TYR 86 CO 0.01 0.00 -1.29 0.66 -1.64 0.00 0.00 178.16 175.90 2gbx h SER 87 N -0.45 0.00 -3.82 -2.11 4.64 -1.60 -3.47 113.55 106.74 2gbx h SER 87 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 2gbx h SER 87 Cb 0.09 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.34 2gbx h SER 87 CO 0.00 0.81 0.19 -0.83 -0.87 0.00 0.00 176.83 176.13 2gbx s GLY 88 N -4.84 1.57 -0.60 -0.77 0.00 -1.14 -5.03 107.32 96.51 2gbx s GLY 88 Ca -0.02 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.26 2gbx s GLY 88 CO 0.81 0.16 0.59 0.61 0.00 0.00 0.00 173.10 175.27 2gbx n GLN 89 N -4.27 1.77 -2.45 2.90 10.64 -1.26 -4.89 117.38 119.81 2gbx n GLN 89 Ca 0.07 -4.22 -0.42 0.00 -1.83 0.00 0.00 57.00 50.59 2gbx n GLN 89 Cb 0.58 -2.04 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 2gbx n GLN 89 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2gbx s VAL 90 N -1.68 4.24 0.25 -0.39 1.01 -1.26 -4.93 120.40 117.63 2gbx s VAL 90 Ca 0.34 1.57 0.12 0.00 0.00 0.00 0.00 61.98 64.00 2gbx s VAL 90 Cb 0.08 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2gbx s VAL 90 CO -0.10 0.00 1.62 -0.50 0.00 0.00 0.00 175.10 176.12 2gbx h TRP 91 N 7.44 0.00 0.00 5.22 4.06 -1.97 -2.79 115.95 127.91 2gbx h TRP 91 Ca -0.34 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.56 2gbx h TRP 91 Cb 1.16 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 2gbx h TRP 91 CO 0.73 0.59 -0.21 1.98 -3.56 0.00 0.00 178.44 177.97 2gbx h MET 92 N 0.00 0.00 -0.80 0.49 4.05 -1.91 -2.84 114.93 113.91 2gbx h MET 92 Ca -0.01 0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.84 2gbx h MET 92 Cb 1.09 0.00 -0.38 0.00 -0.80 0.00 0.00 31.60 31.51 2gbx h MET 92 CO 0.08 0.21 -0.35 0.39 0.23 0.00 0.00 176.91 177.47 2gbx n GLU 93 N -3.52 3.32 -3.76 0.39 1.02 -1.06 -4.81 120.64 112.23 2gbx n GLU 93 Ca -0.01 -3.91 -0.29 0.00 -0.02 0.00 0.00 57.16 52.93 2gbx n GLU 93 Cb 0.37 -2.27 -0.15 0.00 -0.02 0.00 0.00 31.44 29.36 2gbx n GLU 93 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2gbx s ASP 94 N -3.10 3.81 0.00 1.62 2.15 -1.07 -3.61 116.67 116.47 2gbx s ASP 94 Ca 0.55 -1.45 0.00 0.00 0.43 0.00 0.00 52.55 52.08 2gbx s ASP 94 Cb 0.44 -0.85 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 2gbx s ASP 94 CO 0.03 -0.38 0.00 -0.81 -0.17 0.00 0.00 175.17 173.84 2gbx n PRO 95 N 4.86 2.34 -5.03 4.34 -0.04 -1.26 -4.98 135.00 135.23 2gbx n PRO 95 Ca -0.04 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.11 2gbx n PRO 95 Cb 0.43 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.75 2gbx n PRO 95 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2gbx s PRO 96 N 0.00 2.11 0.26 0.54 0.02 -1.24 -4.90 135.00 131.80 2gbx s PRO 96 Ca 0.00 -0.93 -0.30 0.00 0.02 0.00 0.00 61.00 59.79 2gbx s PRO 96 Cb 0.00 -2.12 -0.11 0.00 0.02 0.00 0.00 34.50 32.30 2gbx s PRO 96 CO 0.00 0.56 1.53 -1.54 -0.33 0.00 0.00 177.00 177.22 2gbx s SER 97 N -0.91 6.51 -0.12 2.53 1.04 -1.26 -4.95 113.70 116.53 2gbx s SER 97 Ca 0.11 2.80 -0.30 0.00 0.48 0.00 0.00 55.95 59.05 2gbx s SER 97 Cb -0.10 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 2gbx s SER 97 CO 0.01 -0.82 1.18 -0.54 0.98 0.00 0.00 173.24 174.05 2gbx s LYS 98 N -0.22 4.30 0.11 4.02 -0.14 0.11 -4.93 119.74 123.00 2gbx s LYS 98 Ca 0.63 1.60 0.09 0.00 -1.36 0.00 0.00 55.97 56.93 2gbx s LYS 98 Cb -0.45 -3.64 -0.04 0.00 -1.68 0.00 0.00 37.83 32.02 2gbx s LYS 98 CO 0.44 -0.55 -0.23 -1.50 -0.76 0.00 0.00 175.35 172.75 2gbx s ILE 99 N 2.78 1.87 -0.17 2.17 2.07 -1.26 0.45 121.20 129.10 2gbx s ILE 99 Ca 0.53 -1.59 -0.09 0.00 -1.41 0.00 0.00 60.65 58.09 2gbx s ILE 99 Cb -0.22 -1.68 0.06 0.00 0.13 0.00 0.00 42.46 40.75 2gbx s ILE 99 CO 0.17 -0.00 0.41 -0.60 -1.91 0.00 0.00 174.94 173.01 2gbx s ARG 100 N -1.91 0.38 0.09 3.50 3.52 -0.28 -4.75 118.95 119.50 2gbx s ARG 100 Ca 0.09 0.83 0.02 0.00 -0.13 0.00 0.00 55.73 56.54 2gbx s ARG 100 Cb -0.10 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 2gbx s ARG 100 CO 0.05 -0.17 0.16 0.71 -0.81 0.00 0.00 175.30 175.23 2gbx s TYR 101 N 1.60 3.34 -0.41 5.12 2.02 -1.26 -1.00 117.35 126.76 2gbx s TYR 101 Ca -0.08 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 2gbx s TYR 101 Cb -0.09 -1.67 0.15 0.00 -0.40 0.00 0.00 41.96 39.95 2gbx s TYR 101 CO -0.13 0.55 0.27 -0.06 -1.57 0.00 0.00 175.55 174.61 2gbx s PHE 102 N -1.51 1.37 0.27 2.71 0.08 -0.36 -4.99 117.98 115.55 2gbx s PHE 102 Ca 0.32 -2.14 -0.29 0.00 0.12 0.00 0.00 56.93 54.94 2gbx s PHE 102 Cb -0.12 -1.32 -0.09 0.00 -0.57 0.00 0.00 43.02 40.92 2gbx s PHE 102 CO 0.25 -0.80 1.05 0.08 -0.10 0.00 0.00 175.22 175.70 2gbx s VAL 103 N 0.45 3.67 0.18 -0.44 1.01 -1.26 -2.63 120.40 121.37 2gbx s VAL 103 Ca 0.22 1.67 -0.13 0.00 0.00 0.00 0.00 61.98 63.73 2gbx s VAL 103 Cb -0.16 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2gbx s VAL 103 CO -0.05 0.39 0.40 -0.55 0.00 0.00 0.00 175.10 175.29 2gbx s SER 104 N -0.99 -0.11 -1.33 3.32 0.15 0.75 -4.97 113.70 110.52 2gbx s SER 104 Ca 0.44 -0.66 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 2gbx s SER 104 Cb -0.30 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 2gbx s SER 104 CO 0.38 -0.97 0.81 0.59 1.20 0.00 0.00 173.24 175.25 2gbx n ASN 105 N -0.27 -2.09 -4.56 5.45 4.13 -1.26 0.48 115.26 117.14 2gbx n ASN 105 Ca -0.09 -0.77 -0.39 0.00 1.68 0.00 0.00 54.58 55.01 2gbx n ASN 105 Cb 0.63 -4.24 -0.03 0.00 -1.54 0.00 0.00 39.78 34.59 2gbx n ASN 105 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2gbx s VAL 106 N -3.55 3.83 -0.32 2.41 1.01 -1.26 -3.84 120.40 118.68 2gbx s VAL 106 Ca 0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2gbx s VAL 106 Cb -0.06 -4.87 0.02 0.00 0.00 0.00 0.00 36.38 31.48 2gbx s VAL 106 CO 0.80 -1.76 0.09 -1.61 0.00 0.00 0.00 175.10 172.62 2gbx s GLU 107 N 5.37 2.85 -0.00 2.72 2.02 -0.68 -4.99 118.70 125.99 2gbx s GLU 107 Ca 0.50 -1.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 2gbx s GLU 107 Cb -0.02 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2gbx s GLU 107 CO -0.07 -0.55 0.17 0.00 0.02 0.00 0.00 175.26 174.82 2gbx s ALA 108 N 1.45 3.90 0.00 5.21 0.00 -1.26 -1.15 121.76 129.90 2gbx s ALA 108 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2gbx s ALA 108 Cb -0.18 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 2gbx s ALA 108 CO 0.02 0.75 -0.07 -0.06 0.00 0.00 0.00 175.76 176.39 2gbx s PHE 109 N -1.32 0.66 0.18 0.00 0.08 0.15 -2.77 117.98 114.96 2gbx s PHE 109 Ca 0.27 -0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.84 2gbx s PHE 109 Cb -0.13 -0.42 -0.08 0.00 -0.57 0.00 0.00 43.02 41.83 2gbx s PHE 109 CO 0.19 -0.02 1.09 -1.21 -0.10 0.00 0.00 175.22 175.17 2gbx s GLU 110 N -0.41 4.61 0.44 0.44 0.41 0.72 0.02 118.70 124.93 2gbx s GLU 110 Ca 0.01 1.70 0.01 0.00 -0.41 0.00 0.00 54.97 56.28 2gbx s GLU 110 Cb -0.04 -3.28 -0.00 0.00 -1.78 0.00 0.00 34.13 29.03 2gbx s GLU 110 CO -0.00 0.11 0.02 0.00 -0.49 0.00 0.00 175.26 174.90 2gbx n ALA 111 N 2.29 0.41 -1.58 5.21 0.00 0.15 -4.28 120.51 122.71 2gbx n ALA 111 Ca 0.02 -2.03 -0.32 0.00 0.00 0.00 0.00 53.44 51.11 2gbx n ALA 111 Cb 0.46 1.15 0.03 0.00 0.00 0.00 0.00 19.45 21.09 2gbx n ALA 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gbx s GLY 112 N -3.47 2.02 -1.40 0.00 0.00 -1.26 -3.60 107.32 99.60 2gbx s GLY 112 Ca 0.03 0.37 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 2gbx s GLY 112 CO 0.02 0.69 0.55 -2.01 0.00 0.00 0.00 173.10 172.35 2gbx n ASN 113 N -2.43 -5.69 -2.55 1.64 5.15 -1.26 -2.73 115.26 107.39 2gbx n ASN 113 Ca 0.09 -0.26 -0.18 0.00 -0.60 0.00 0.00 54.58 53.63 2gbx n ASN 113 Cb 0.53 -4.52 0.03 0.00 -0.53 0.00 0.00 39.78 35.29 2gbx n ASN 113 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2gbx n GLY 114 N -1.45 -0.29 3.75 8.20 0.00 -1.25 -5.00 105.19 109.15 2gbx n GLY 114 Ca -0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.55 2.69 -0.15 1.61 2.02 -1.11 -4.10 118.70 114.11 2gbx s GLU 115 Ca 0.28 -1.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 2gbx s GLU 115 Cb -0.12 -2.47 0.04 0.00 0.10 0.00 0.00 34.13 31.68 2gbx s GLU 115 CO 0.34 0.43 -0.04 -0.51 0.02 0.00 0.00 175.26 175.50 2gbx s LEU 116 N -3.38 1.45 -0.34 1.80 1.43 0.11 0.33 118.68 120.08 2gbx s LEU 116 Ca 0.31 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.54 2gbx s LEU 116 Cb -0.09 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.31 2gbx s LEU 116 CO 0.22 -0.19 1.00 -1.81 0.23 0.00 0.00 176.35 175.80 2gbx s ASP 117 N 1.69 6.81 -0.14 2.29 1.11 0.10 -0.74 116.67 127.80 2gbx s ASP 117 Ca 0.01 0.85 0.02 0.00 0.18 0.00 0.00 52.55 53.61 2gbx s ASP 117 Cb -0.15 -2.50 0.01 0.00 1.07 0.00 0.00 42.92 41.35 2gbx s ASP 117 CO -0.08 -0.85 -0.20 -0.69 1.18 0.00 0.00 175.17 174.53 2gbx s VAL 118 N 3.54 1.95 0.03 -1.27 1.01 -0.26 0.32 120.40 125.72 2gbx s VAL 118 Ca 0.42 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2gbx s VAL 118 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2gbx s VAL 118 CO 0.16 0.53 0.21 -0.76 0.00 0.00 0.00 175.10 175.24 2gbx s LEU 119 N 0.92 4.36 -0.20 3.92 1.43 -0.30 -1.02 118.68 127.79 2gbx s LEU 119 Ca -0.05 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 2gbx s LEU 119 Cb -0.15 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.33 2gbx s LEU 119 CO -0.03 0.21 0.75 -0.55 0.23 0.00 0.00 176.35 176.95 2gbx s SER 120 N -2.22 -0.68 -0.12 2.29 0.15 -0.46 -1.69 113.70 110.97 2gbx s SER 120 Ca 0.32 1.14 -0.08 0.00 0.70 0.00 0.00 55.95 58.02 2gbx s SER 120 Cb -0.13 1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 65.23 2gbx s SER 120 CO 0.23 -0.35 0.17 0.20 1.20 0.00 0.00 173.24 174.69 2gbx s ASN 121 N -0.16 6.41 -0.04 5.45 -0.87 0.18 -0.20 114.94 125.70 2gbx s ASN 121 Ca -0.03 0.49 0.01 0.00 -1.57 0.00 0.00 52.86 51.76 2gbx s ASN 121 Cb -0.03 -2.09 0.02 0.00 -0.02 0.00 0.00 41.25 39.12 2gbx s ASN 121 CO 0.03 0.37 -0.06 -0.63 -2.57 0.00 0.00 177.10 174.24 2gbx s ILE 122 N -0.84 0.60 -0.22 0.60 1.01 0.40 -0.18 121.20 122.57 2gbx s ILE 122 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2gbx s ILE 122 Cb -0.12 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.78 2gbx s ILE 122 CO 0.04 0.23 -0.14 -0.22 0.00 0.00 0.00 174.94 174.85 2gbx s LEU 123 N 0.78 2.75 -0.26 2.97 2.96 -1.08 -0.54 118.68 126.25 2gbx s LEU 123 Ca -0.11 -0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 52.81 2gbx s LEU 123 Cb -0.14 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2gbx s LEU 123 CO 0.01 -0.08 0.07 -0.69 -1.32 0.00 0.00 176.35 174.33 2gbx s VAL 124 N 1.24 4.17 -0.25 1.68 1.01 -0.20 -1.23 120.40 126.82 2gbx s VAL 124 Ca -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 2gbx s VAL 124 Cb -0.16 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2gbx s VAL 124 CO -0.09 0.25 0.11 -0.31 0.00 0.00 0.00 175.10 175.07 2gbx s TYR 125 N 1.57 3.15 -0.12 5.22 2.02 -0.17 -1.63 117.35 127.39 2gbx s TYR 125 Ca 0.05 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 2gbx s TYR 125 Cb -0.16 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 2gbx s TYR 125 CO 0.03 -0.24 -0.17 1.03 -1.57 0.00 0.00 175.55 174.63 2gbx s ARG 126 N 1.55 3.25 0.03 -0.62 0.52 -0.70 -1.12 118.95 121.85 2gbx s ARG 126 Ca 0.06 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 2gbx s ARG 126 Cb -0.15 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 2gbx s ARG 126 CO 0.06 0.19 -0.20 -0.80 0.02 0.00 0.00 175.30 174.57 2gbx s ASN 127 N 0.36 2.35 0.01 0.23 0.01 0.17 -2.01 114.94 116.06 2gbx s ASN 127 Ca -0.14 -0.46 -0.23 0.00 -0.71 0.00 0.00 52.86 51.31 2gbx s ASN 127 Cb -0.17 -0.21 0.05 0.00 0.41 0.00 0.00 41.25 41.33 2gbx s ASN 127 CO 0.07 0.18 0.52 0.00 -1.51 0.00 0.00 177.10 176.36 2gbx s ARG 128 N -0.95 0.97 6.21 -0.60 1.70 -1.01 0.09 118.95 125.36 2gbx s ARG 128 Ca 0.07 -0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.25 2gbx s ARG 128 Cb -0.08 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 2gbx s ARG 128 CO 0.01 -0.32 0.00 0.54 -1.08 0.00 0.00 175.30 174.45 2gbx n ARG 129 N 0.73 0.00 -0.07 3.89 5.12 -1.26 -3.07 116.66 122.01 2gbx n ARG 129 Ca -0.19 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.68 2gbx n ARG 129 Cb 0.58 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.87 2gbx n ARG 129 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2gbx n GLN 130 N 14.00 0.43 -0.07 5.56 1.13 -1.26 -4.79 117.38 132.38 2gbx n GLN 130 Ca 0.00 0.51 0.02 0.00 -1.94 0.00 0.00 57.00 55.59 2gbx n GLN 130 Cb 0.00 -1.64 0.03 0.00 0.11 0.00 0.00 30.24 28.74 2gbx n GLN 130 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2gbx n THR 131 N -4.49 0.77 -2.93 5.09 -2.24 -1.26 -5.05 114.28 104.18 2gbx n THR 131 Ca -0.07 -0.84 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 2gbx n THR 131 Cb 0.25 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.95 4.28 -0.01 -0.78 2.12 -1.17 -5.03 118.70 117.16 2gbx s GLU 132 Ca 0.06 0.95 0.01 0.00 0.36 0.00 0.00 54.97 56.35 2gbx s GLU 132 Cb 0.05 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.87 2gbx s GLU 132 CO 0.01 -0.31 -0.02 0.08 -0.54 0.00 0.00 175.26 174.47 2gbx s VAL 133 N 2.11 0.22 -0.00 3.70 1.01 -1.26 -2.39 120.40 123.78 2gbx s VAL 133 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2gbx s VAL 133 Cb -0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 2gbx s VAL 133 CO 0.12 0.08 0.03 0.42 0.00 0.00 0.00 175.10 175.75 2gbx s THR 134 N 0.19 0.04 0.02 3.92 -4.23 -0.85 -5.04 115.64 109.69 2gbx s THR 134 Ca -0.02 -0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.22 2gbx s THR 134 Cb -0.04 -0.17 -0.02 0.00 1.34 0.00 0.00 72.50 73.61 2gbx s THR 134 CO -0.00 -0.20 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.94 2gbx s VAL 135 N -0.59 1.99 -0.14 2.29 1.01 -1.26 -1.73 120.40 121.97 2gbx s VAL 135 Ca -0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 2gbx s VAL 135 Cb -0.04 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2gbx s VAL 135 CO -0.00 0.41 0.05 -1.00 0.00 0.00 0.00 175.10 174.56 2gbx s HIS 136 N -0.71 0.54 0.01 5.22 3.76 -0.65 -4.95 115.29 118.50 2gbx s HIS 136 Ca 0.10 -0.37 -0.20 0.00 -0.15 0.00 0.00 55.06 54.44 2gbx s HIS 136 Cb -0.10 -0.79 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 2gbx s HIS 136 CO 0.01 -0.46 0.57 0.95 -0.85 0.00 0.00 174.74 174.96 2gbx s THR 137 N 2.02 4.89 -0.09 1.30 -4.23 -1.26 -1.03 115.64 117.24 2gbx s THR 137 Ca 0.02 1.19 -0.13 0.00 -1.18 0.00 0.00 61.69 61.60 2gbx s THR 137 Cb -0.15 -3.90 0.03 0.00 1.34 0.00 0.00 72.50 69.82 2gbx s THR 137 CO -0.07 0.46 0.32 -0.22 -0.54 0.00 0.00 174.62 174.57 2gbx s LEU 138 N -0.43 0.78 -0.16 4.79 0.20 0.30 -3.19 118.68 120.97 2gbx s LEU 138 Ca 0.30 0.46 -0.05 0.00 0.69 0.00 0.00 54.13 55.52 2gbx s LEU 138 Cb -0.18 1.18 -0.03 0.00 -0.43 0.00 0.00 46.19 46.72 2gbx s LEU 138 CO 0.17 -0.23 -0.00 -0.83 -0.29 0.00 0.00 176.35 175.16 2gbx s GLY 139 N -0.36 1.79 -0.09 7.98 0.00 -0.06 -0.45 107.32 116.13 2gbx s GLY 139 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.90 2gbx s GLY 139 CO 0.02 -0.04 -0.13 -1.60 0.00 0.00 0.00 173.10 171.35 2gbx s ARG 140 N 0.33 2.92 -0.18 2.90 3.52 0.72 0.18 118.95 129.34 2gbx s ARG 140 Ca -0.01 -0.67 -0.02 0.00 -0.13 0.00 0.00 55.73 54.90 2gbx s ARG 140 Cb -0.13 -2.52 0.05 0.00 -1.56 0.00 0.00 34.95 30.79 2gbx s ARG 140 CO 0.02 0.45 -0.00 -1.21 -0.81 0.00 0.00 175.30 173.75 2gbx s GLU 141 N -0.27 0.98 0.24 5.12 2.02 -0.48 -1.36 118.70 124.95 2gbx s GLU 141 Ca 0.02 -0.48 0.11 0.00 0.02 0.00 0.00 54.97 54.64 2gbx s GLU 141 Cb -0.13 -2.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.00 2gbx s GLU 141 CO 0.03 -0.55 -0.20 -0.51 0.02 0.00 0.00 175.26 174.05 2gbx s ASP 142 N 1.74 3.28 -0.25 -0.19 1.01 -0.18 -0.79 116.67 121.29 2gbx s ASP 142 Ca -0.01 -0.98 0.03 0.00 0.71 0.00 0.00 52.55 52.30 2gbx s ASP 142 Cb -0.16 -0.25 0.05 0.00 1.01 0.00 0.00 42.92 43.57 2gbx s ASP 142 CO -0.07 0.01 -0.12 -0.54 0.21 0.00 0.00 175.17 174.66 2gbx s LYS 143 N -3.29 2.36 -0.03 8.23 1.02 -0.77 -1.10 119.74 126.16 2gbx s LYS 143 Ca 0.25 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 2gbx s LYS 143 Cb -0.05 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2gbx s LYS 143 CO 0.12 -0.51 0.04 -0.51 -0.92 0.00 0.00 175.35 173.56 2gbx s LEU 144 N 1.13 3.74 0.24 3.17 1.43 0.08 -2.40 118.68 126.07 2gbx s LEU 144 Ca -0.07 0.12 0.11 0.00 -1.03 0.00 0.00 54.13 53.27 2gbx s LEU 144 Cb -0.19 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2gbx s LEU 144 CO -0.06 0.31 -0.21 0.00 0.23 0.00 0.00 176.35 176.62 2gbx s ARG 145 N -1.42 1.60 -1.01 1.70 1.70 -1.07 0.10 118.95 120.55 2gbx s ARG 145 Ca 0.19 -1.67 -0.18 0.00 -0.47 0.00 0.00 55.73 53.60 2gbx s ARG 145 Cb -0.12 -1.75 0.12 0.00 -0.57 0.00 0.00 34.95 32.64 2gbx s ARG 145 CO 0.09 0.34 1.25 1.03 -1.08 0.00 0.00 175.30 176.94 2gbx s ARG 146 N -3.22 3.70 -0.93 3.89 0.52 -1.26 -1.87 118.95 119.78 2gbx s ARG 146 Ca 0.26 -1.83 -0.24 0.00 -0.52 0.00 0.00 55.73 53.40 2gbx s ARG 146 Cb -0.06 -5.03 0.00 0.00 0.52 0.00 0.00 34.95 30.38 2gbx s ARG 146 CO 0.13 -1.85 1.69 0.34 0.02 0.00 0.00 175.30 175.62 2gbx s ASP 147 N 3.70 5.80 -0.85 0.23 -1.08 -1.04 -4.87 116.67 118.57 2gbx s ASP 147 Ca 0.37 -0.95 -0.27 0.00 -0.52 0.00 0.00 52.55 51.18 2gbx s ASP 147 Cb -0.03 -2.56 -0.19 0.00 -1.46 0.00 0.00 42.92 38.67 2gbx s ASP 147 CO -0.07 -2.13 2.31 0.61 0.52 0.00 0.00 175.17 176.41 2gbx n GLY 148 N 6.72 -0.41 2.67 2.66 0.00 -1.26 -3.45 105.19 112.13 2gbx n GLY 148 Ca 0.34 1.00 -0.06 0.00 0.00 0.00 0.00 46.02 47.30 2gbx n GLY 148 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gbx n ASN 149 N 8.95 -1.75 0.00 1.61 2.04 -1.26 -5.04 115.26 119.81 2gbx n ASN 149 Ca 0.57 -2.32 0.00 0.00 -0.44 0.00 0.00 54.58 52.39 2gbx n ASN 149 Cb 0.02 0.97 0.00 0.00 -2.53 0.00 0.00 39.78 38.24 2gbx n ASN 149 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2gbx n GLY 150 N -0.69 2.86 3.45 4.83 0.00 -1.22 -5.20 105.19 109.21 2gbx n GLY 150 Ca -0.07 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.19 2.18 -0.14 1.61 0.08 -1.26 -2.48 117.98 116.78 2gbx s PHE 151 Ca 0.00 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.62 2gbx s PHE 151 Cb 0.00 -0.95 0.07 0.00 -0.57 0.00 0.00 43.02 41.56 2gbx s PHE 151 CO 0.00 0.65 0.29 0.15 -0.10 0.00 0.00 175.22 176.21 2gbx s LYS 152 N -3.53 0.19 0.16 0.44 1.02 -0.78 -4.57 119.74 112.67 2gbx s LYS 152 Ca 0.28 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 56.75 2gbx s LYS 152 Cb -0.04 0.02 -0.07 0.00 -0.52 0.00 0.00 37.83 37.22 2gbx s LYS 152 CO 0.13 -0.26 1.05 0.54 -0.92 0.00 0.00 175.35 175.90 2gbx s VAL 153 N 2.28 4.08 0.00 3.17 0.11 -1.03 -2.60 120.40 126.41 2gbx s VAL 153 Ca -0.01 1.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.81 2gbx s VAL 153 Cb -0.12 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 2gbx s VAL 153 CO -0.09 0.29 0.17 2.22 -3.33 0.00 0.00 175.10 174.36 2gbx n PHE 154 N 2.52 0.00 -3.80 1.54 -1.74 -1.01 -1.30 117.46 113.67 2gbx n PHE 154 Ca 0.03 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.79 2gbx n PHE 154 Cb 0.47 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.34 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 -0.51 0.17 -0.26 3.97 0.52 -1.23 -2.19 118.95 119.42 2gbx s ARG 155 Ca 0.00 0.25 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 2gbx s ARG 155 Cb 0.00 0.04 0.14 0.00 0.52 0.00 0.00 34.95 35.65 2gbx s ARG 155 CO 0.00 -0.05 0.35 0.50 0.02 0.00 0.00 175.30 176.12 2gbx s ARG 156 N 0.28 0.34 -0.35 3.54 3.52 -0.97 -1.85 118.95 123.46 2gbx s ARG 156 Ca -0.02 0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.73 2gbx s ARG 156 Cb -0.03 -0.57 0.02 0.00 -1.56 0.00 0.00 34.95 32.81 2gbx s ARG 156 CO -0.01 -0.82 0.17 0.21 -0.81 0.00 0.00 175.30 174.04 2gbx s LYS 157 N 2.48 2.88 -0.22 5.12 2.20 0.03 -0.94 119.74 131.28 2gbx s LYS 157 Ca 0.10 -1.03 -0.12 0.00 -0.36 0.00 0.00 55.97 54.56 2gbx s LYS 157 Cb -0.14 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 2gbx s LYS 157 CO -0.22 -0.63 0.23 -0.51 -0.36 0.00 0.00 175.35 173.85 2gbx s LEU 158 N 1.53 4.14 -0.34 5.43 1.43 -0.08 -1.39 118.68 129.40 2gbx s LEU 158 Ca 0.02 0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 2gbx s LEU 158 Cb -0.19 -2.23 0.06 0.00 0.03 0.00 0.00 46.19 43.86 2gbx s LEU 158 CO 0.06 0.04 0.10 -0.63 0.23 0.00 0.00 176.35 176.15 2gbx s ILE 159 N 1.03 3.52 0.27 -0.59 1.09 0.13 -4.10 121.20 122.55 2gbx s ILE 159 Ca 0.11 -1.36 -0.29 0.00 -1.10 0.00 0.00 60.65 58.01 2gbx s ILE 159 Cb -0.14 -3.08 -0.09 0.00 -1.06 0.00 0.00 42.46 38.10 2gbx s ILE 159 CO 0.05 -0.26 1.00 -0.76 -0.10 0.00 0.00 174.94 174.87 2gbx s LEU 160 N 1.33 4.57 -0.12 2.97 1.02 -1.26 -0.88 118.68 126.31 2gbx s LEU 160 Ca -0.01 2.06 -0.14 0.00 0.02 0.00 0.00 54.13 56.06 2gbx s LEU 160 Cb -0.20 -3.67 -0.12 0.00 0.02 0.00 0.00 46.19 42.22 2gbx s LEU 160 CO 0.01 0.01 0.37 0.44 0.02 0.00 0.00 176.35 177.20 2gbx h ASP 161 N 3.90 -0.00 -3.63 2.29 5.19 -1.95 -3.46 116.42 118.76 2gbx h ASP 161 Ca -0.46 -0.47 -0.52 0.00 -0.62 0.00 0.00 57.03 54.96 2gbx h ASP 161 Cb 1.20 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.74 2gbx h ASP 161 CO 0.67 0.73 0.54 0.00 -3.12 0.00 0.00 179.24 178.06 2gbx s ALA 162 N -2.42 3.43 -0.05 3.45 0.00 -1.26 -4.97 121.76 119.93 2gbx s ALA 162 Ca -0.09 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 2gbx s ALA 162 Cb -0.01 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 2gbx s ALA 162 CO 0.33 -0.32 0.67 -0.09 0.00 0.00 0.00 175.76 176.35 2gbx h ARG 163 N 4.61 -0.30 -5.77 0.00 9.65 -1.93 -3.42 114.38 117.22 2gbx h ARG 163 Ca -0.46 0.02 -0.61 0.00 -1.10 0.00 0.00 59.98 57.84 2gbx h ARG 163 Cb 1.21 0.07 -0.11 0.00 -1.39 0.00 0.00 29.97 29.76 2gbx h ARG 163 CO 0.71 -0.00 0.38 0.08 2.80 0.00 0.00 179.97 183.94 2gbx s VAL 164 N -3.12 4.78 -0.40 0.20 1.01 -1.26 -5.01 120.40 116.61 2gbx s VAL 164 Ca -0.09 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 2gbx s VAL 164 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2gbx s VAL 164 CO 0.33 -0.29 1.54 -0.89 0.00 0.00 0.00 175.10 175.79 2gbx s THR 165 N 2.98 3.76 -1.45 3.92 2.01 -1.26 -4.91 115.64 120.69 2gbx s THR 165 Ca 0.32 0.76 -0.11 0.00 0.31 0.00 0.00 61.69 62.98 2gbx s THR 165 Cb -0.14 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.38 2gbx s THR 165 CO 0.14 -0.67 2.37 0.00 -0.69 0.00 0.00 174.62 175.76 2gbx n GLN 166 N 8.23 3.51 -3.50 4.92 6.02 -1.26 -4.82 117.38 130.48 2gbx n GLN 166 Ca 0.18 -2.83 -0.10 0.00 -0.01 0.00 0.00 57.00 54.25 2gbx n GLN 166 Cb 0.48 -2.98 -0.03 0.00 1.02 0.00 0.00 30.24 28.73 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 1.98 -0.42 0.22 1.08 -1.08 -1.26 -4.77 116.67 112.42 2gbx s ASP 167 Ca 0.53 0.13 -0.08 0.00 -0.52 0.00 0.00 52.55 52.60 2gbx s ASP 167 Cb 0.15 0.42 0.19 0.00 -1.46 0.00 0.00 42.92 42.22 2gbx s ASP 167 CO -0.06 -0.63 1.87 0.11 0.52 0.00 0.00 175.17 176.98 2gbx h LYS 168 N 2.18 1.15 -3.44 4.34 1.57 -2.02 -3.46 116.57 116.89 2gbx h LYS 168 Ca -0.24 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 2gbx h LYS 168 Cb 1.23 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 33.24 2gbx h LYS 168 CO 0.33 0.81 0.03 0.54 -0.57 0.00 0.00 179.45 180.58 2gbx s ASN 169 N -6.07 0.06 -0.35 0.86 2.20 -1.26 -5.05 114.94 105.33 2gbx s ASN 169 Ca -0.13 -0.99 0.06 0.00 -0.94 0.00 0.00 52.86 50.86 2gbx s ASN 169 Cb 0.16 0.69 0.45 0.00 -2.00 0.00 0.00 41.25 40.55 2gbx s ASN 169 CO 0.81 -1.33 1.27 0.18 -2.94 0.00 0.00 177.10 175.08 2gbx n LEU 170 N -0.46 5.18 -4.30 3.54 4.77 -1.26 -4.96 117.00 119.51 2gbx n LEU 170 Ca -0.03 -4.76 -0.43 0.00 -0.03 0.00 0.00 56.01 50.76 2gbx n LEU 170 Cb 0.61 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2gbx n LEU 170 CO 0.23 2.06 1.73 0.00 -1.33 0.00 0.00 177.39 180.08 2gbx n TYR 171 N -0.70 4.36 -3.63 -1.77 9.36 -1.26 -4.87 117.16 118.65 2gbx n TYR 171 Ca 0.45 -3.11 -0.14 0.00 3.32 0.00 0.00 57.90 58.42 2gbx n TYR 171 Cb 0.90 -2.25 -0.07 0.00 -0.63 0.00 0.00 39.34 37.29 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 1.93 -0.71 0.41 2.98 -0.71 -1.26 -5.17 117.98 115.44 2gbx s PHE 172 Ca 0.45 1.66 -0.15 0.00 -1.04 0.00 0.00 56.93 57.84 2gbx s PHE 172 Cb 0.03 0.27 -0.08 0.00 -1.21 0.00 0.00 43.02 42.02 2gbx s PHE 172 CO 0.01 -0.39 0.84 -0.06 -1.34 0.00 0.00 175.22 174.28 2gbx s PHE 173 N 0.08 3.41 0.00 3.49 0.08 -1.26 -5.22 117.98 118.56 2gbx s PHE 173 Ca -0.02 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.32 2gbx s PHE 173 Cb -0.04 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 2gbx s PHE 173 CO 0.02 -0.11 0.15 0.00 -0.10 0.00 0.00 175.22 175.19