#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bhb s GLU 2 N 0.00 1.63 -0.21 1.43 -1.05 -1.26 -4.87 118.70 114.37 2bhb s GLU 2 Ca 0.00 -1.71 -0.10 0.00 -0.15 0.00 0.00 54.97 53.01 2bhb s GLU 2 Cb 0.00 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 2bhb s GLU 2 CO 0.00 -0.63 0.15 0.42 0.95 0.00 0.00 175.26 176.15 2bhb s ILE 3 N -3.58 5.39 0.61 1.83 -1.09 -1.26 -4.90 121.20 118.20 2bhb s ILE 3 Ca 0.34 0.21 -0.13 0.00 -2.23 0.00 0.00 60.65 58.84 2bhb s ILE 3 Cb 0.02 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 2bhb s ILE 3 CO 0.18 0.41 1.03 -0.94 -1.23 0.00 0.00 174.94 174.39 2bhb s SER 4 N 0.56 6.04 0.26 3.58 1.04 -1.26 -4.95 113.70 118.97 2bhb s SER 4 Ca 0.08 1.55 -0.02 0.00 0.48 0.00 0.00 55.95 58.04 2bhb s SER 4 Cb -0.12 -2.49 0.52 0.00 0.10 0.00 0.00 66.02 64.03 2bhb s SER 4 CO 0.00 -0.99 1.72 0.03 0.98 0.00 0.00 173.24 174.97 2bhb h ARG 5 N -0.06 0.40 -0.75 4.02 3.08 -1.98 -2.33 114.38 116.76 2bhb h ARG 5 Ca -0.45 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 2bhb h ARG 5 Cb 1.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 2bhb h ARG 5 CO 0.60 0.27 0.38 1.96 -1.07 0.00 0.00 179.97 182.11 2bhb h GLN 6 N 0.41 1.06 -0.55 0.04 7.50 -1.99 -2.03 115.11 119.56 2bhb h GLN 6 Ca 0.45 -0.14 -0.04 0.00 0.50 0.00 0.00 58.65 59.42 2bhb h GLN 6 Cb 0.74 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.05 2bhb h GLN 6 CO -0.45 0.81 0.20 1.49 -1.50 0.00 0.00 178.83 179.38 2bhb h GLU 7 N 1.04 0.84 -0.89 1.46 4.81 -1.80 0.99 114.58 121.03 2bhb h GLU 7 Ca 0.26 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2bhb h GLU 7 Cb 0.08 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 2bhb h GLU 7 CO -0.04 0.75 0.52 0.74 -0.73 0.00 0.00 179.01 180.25 2bhb h PHE 8 N 0.76 1.19 -0.17 0.92 0.04 -1.22 -1.53 116.94 116.93 2bhb h PHE 8 Ca 0.18 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 2bhb h PHE 8 Cb 0.23 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2bhb h PHE 8 CO 0.01 0.80 0.08 0.37 -0.60 0.00 0.00 178.31 178.97 2bhb h GLN 9 N 1.23 0.24 -0.61 1.51 5.75 -1.01 -2.48 115.11 119.74 2bhb h GLN 9 Ca 0.32 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.87 2bhb h GLN 9 Cb -0.03 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.41 2bhb h GLN 9 CO -0.06 0.28 0.25 0.00 -2.65 0.00 0.00 178.83 176.65 2bhb h ARG 10 N 0.14 0.43 -0.38 1.69 3.08 -0.50 -1.51 114.38 117.34 2bhb h ARG 10 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2bhb h ARG 10 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2bhb h ARG 10 CO -0.01 0.28 0.19 0.00 -1.07 0.00 0.00 179.97 179.37 2bhb h ARG 11 N 0.44 0.54 -0.63 0.04 3.08 -1.19 0.01 114.38 116.66 2bhb h ARG 11 Ca 0.31 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.32 2bhb h ARG 11 Cb 0.36 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 2bhb h ARG 11 CO -0.29 0.46 0.38 0.00 -1.07 0.00 0.00 179.97 179.46 2bhb h ARG 12 N 0.48 0.72 -0.38 0.04 3.08 -1.20 -1.75 114.38 115.38 2bhb h ARG 12 Ca 0.13 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 2bhb h ARG 12 Cb 0.09 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2bhb h ARG 12 CO -0.02 0.48 -0.02 1.96 -1.07 0.00 0.00 179.97 181.30 2bhb h GLN 13 N 0.74 0.61 -0.33 0.04 1.08 -0.97 -0.58 115.11 115.71 2bhb h GLN 13 Ca 0.26 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 57.18 2bhb h GLN 13 Cb 0.05 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2bhb h GLN 13 CO -0.12 0.64 -0.33 0.00 -0.95 0.00 0.00 178.83 178.07 2bhb h ALA 14 N 1.41 0.80 0.08 3.87 0.00 -0.61 0.08 119.26 124.89 2bhb h ALA 14 Ca 0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bhb h ALA 14 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bhb h ALA 14 CO 0.02 0.65 -0.04 1.25 0.00 0.00 0.00 179.25 181.12 2bhb h LEU 15 N 0.61 -0.09 -1.34 0.00 5.85 -1.10 -3.17 115.31 116.06 2bhb h LEU 15 Ca 0.06 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2bhb h LEU 15 Cb 0.86 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 2bhb h LEU 15 CO 0.07 0.11 0.49 0.58 -0.34 0.00 0.00 178.44 179.36 2bhb h VAL 16 N -0.29 1.03 -0.94 1.05 2.07 -0.91 -1.14 116.25 117.11 2bhb h VAL 16 Ca -0.01 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.33 2bhb h VAL 16 Cb 0.25 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2bhb h VAL 16 CO 0.02 0.15 0.60 -0.08 0.02 0.00 0.00 177.57 178.28 2bhb h GLU 17 N 0.80 0.93 0.00 1.57 4.57 -0.96 -2.17 114.58 119.32 2bhb h GLU 17 Ca 0.32 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2bhb h GLU 17 Cb 0.24 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2bhb h GLU 17 CO -0.11 0.61 -0.27 1.04 -1.18 0.00 0.00 179.01 179.10 2bhb n GLN 18 N -4.55 0.20 -2.63 1.92 6.02 -0.46 -4.89 117.38 112.99 2bhb n GLN 18 Ca 0.16 0.11 -0.36 0.00 -0.01 0.00 0.00 57.00 56.91 2bhb n GLN 18 Cb 0.30 -1.68 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 2bhb n GLN 18 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2bhb s MET 19 N -3.10 4.21 0.57 -1.09 -1.94 -0.82 -5.03 119.30 112.11 2bhb s MET 19 Ca 0.10 1.39 -0.20 0.00 -1.71 0.00 0.00 55.69 55.27 2bhb s MET 19 Cb 0.14 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 2bhb s MET 19 CO 0.64 -0.08 1.27 -0.65 -0.01 0.00 0.00 175.02 176.18 2bhb s GLN 20 N -2.62 3.05 0.55 2.03 -0.21 -1.26 -5.01 119.66 116.20 2bhb s GLN 20 Ca 0.58 1.99 -0.20 0.00 0.02 0.00 0.00 55.36 57.75 2bhb s GLN 20 Cb -0.19 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.70 2bhb s GLN 20 CO 0.23 -1.19 1.22 -1.25 -2.12 0.00 0.00 175.29 172.19 2bhb s PRO 21 N -3.12 3.19 -0.71 2.91 0.04 -1.26 -3.60 135.00 132.45 2bhb s PRO 21 Ca 0.75 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 2bhb s PRO 21 Cb -0.35 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2bhb s PRO 21 CO 0.39 -1.04 0.60 0.41 0.04 0.00 0.00 177.00 177.40 2bhb n GLY 22 N 0.51 0.02 3.18 0.56 0.00 0.74 -4.82 105.19 105.38 2bhb n GLY 22 Ca 0.12 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2bhb n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bhb s SER 23 N -3.59 0.28 -0.01 1.61 1.04 -0.77 -0.43 113.70 111.82 2bhb s SER 23 Ca 0.10 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2bhb s SER 23 Cb -0.05 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2bhb s SER 23 CO 0.42 -0.73 -0.03 0.00 0.98 0.00 0.00 173.24 173.88 2bhb s ALA 24 N -3.97 0.29 -0.15 5.32 0.00 -0.99 -0.65 121.76 121.62 2bhb s ALA 24 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 2bhb s ALA 24 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2bhb s ALA 24 CO -0.04 0.05 0.05 0.00 0.00 0.00 0.00 175.76 175.82 2bhb s ALA 25 N 0.10 3.39 -0.25 0.00 0.00 0.29 -0.68 121.76 124.61 2bhb s ALA 25 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2bhb s ALA 25 Cb -0.03 -1.77 0.03 0.00 0.00 0.00 0.00 23.12 21.35 2bhb s ALA 25 CO -0.00 0.35 -0.06 -0.51 0.00 0.00 0.00 175.76 175.53 2bhb s LEU 26 N -0.14 3.24 -0.19 0.00 1.43 -0.07 -1.57 118.68 121.37 2bhb s LEU 26 Ca 0.06 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2bhb s LEU 26 Cb -0.12 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.47 2bhb s LEU 26 CO 0.01 -0.14 -0.18 -0.63 0.23 0.00 0.00 176.35 175.65 2bhb s ILE 27 N 1.30 2.14 0.02 -0.59 1.01 -0.36 -4.52 121.20 120.21 2bhb s ILE 27 Ca -0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 2bhb s ILE 27 Cb -0.17 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2bhb s ILE 27 CO -0.04 0.45 0.15 -0.36 0.00 0.00 0.00 174.94 175.14 2bhb s PHE 28 N 1.27 3.42 0.61 3.97 0.40 -1.26 -0.86 117.98 125.54 2bhb s PHE 28 Ca 0.03 0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 56.48 2bhb s PHE 28 Cb -0.14 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2bhb s PHE 28 CO -0.11 0.59 1.04 0.00 0.70 0.00 0.00 175.22 177.43 2bhb s ALA 29 N -1.35 2.88 0.37 5.36 0.00 -0.36 -4.61 121.76 124.04 2bhb s ALA 29 Ca 0.29 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 2bhb s ALA 29 Cb -0.12 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 2bhb s ALA 29 CO 0.21 -0.78 1.28 0.00 0.00 0.00 0.00 175.76 176.47 2bhb s ALA 30 N -2.84 3.35 0.69 0.00 0.00 -1.26 -4.81 121.76 116.89 2bhb s ALA 30 Ca 0.59 1.20 -0.13 0.00 0.00 0.00 0.00 51.96 53.62 2bhb s ALA 30 Cb -0.13 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.54 2bhb s ALA 30 CO 0.45 -0.70 1.10 -1.25 0.00 0.00 0.00 175.76 175.37 2bhb s PRO 31 N -2.05 2.64 0.64 0.00 0.04 -1.26 -4.47 135.00 130.55 2bhb s PRO 31 Ca 0.53 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 2bhb s PRO 31 Cb -0.38 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2bhb s PRO 31 CO 0.49 -1.36 1.10 -1.21 0.04 0.00 0.00 177.00 176.06 2bhb s GLU 32 N -4.37 2.92 -0.08 4.56 2.02 -1.26 -4.92 118.70 117.56 2bhb s GLU 32 Ca 0.65 1.36 -0.00 0.00 0.02 0.00 0.00 54.97 57.00 2bhb s GLU 32 Cb -0.19 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.09 2bhb s GLU 32 CO 0.46 -1.15 -0.05 0.08 0.02 0.00 0.00 175.26 174.62 2bhb s VAL 33 N -2.34 0.75 0.29 2.63 1.01 -1.26 -5.08 120.40 116.40 2bhb s VAL 33 Ca 0.67 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2bhb s VAL 33 Cb -0.20 -0.80 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 2bhb s VAL 33 CO 0.40 0.31 1.40 -0.89 0.00 0.00 0.00 175.10 176.32 2bhb s THR 34 N 1.53 2.63 -0.24 3.92 2.01 -1.26 -0.79 115.64 123.43 2bhb s THR 34 Ca -0.00 0.57 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 2bhb s THR 34 Cb -0.13 -3.36 -0.16 0.00 0.01 0.00 0.00 72.50 68.85 2bhb s THR 34 CO -0.04 0.11 -0.15 -1.14 -0.69 0.00 0.00 174.62 172.71 2bhb n ARG 35 N 1.67 0.62 -3.64 4.92 0.63 -0.06 -4.66 116.66 116.14 2bhb n ARG 35 Ca 0.04 0.28 -0.04 0.00 -0.92 0.00 0.00 57.85 57.21 2bhb n ARG 35 Cb 0.41 -1.57 -0.07 0.00 0.45 0.00 0.00 32.46 31.68 2bhb n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2bhb s SER 36 N -7.07 -0.48 1.04 6.15 0.15 -1.04 -5.03 113.70 107.42 2bhb s SER 36 Ca -0.34 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2bhb s SER 36 Cb 0.11 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 2bhb s SER 36 CO 0.57 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.88 2bhb n ALA 37 N 3.31 0.00 0.49 5.45 0.00 -1.26 -1.01 120.51 127.49 2bhb n ALA 37 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2bhb n ALA 37 Cb 0.57 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.29 2bhb n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bhb n ASP 38 N 5.40 2.85 -4.89 0.00 5.75 -1.26 -4.90 116.55 119.50 2bhb n ASP 38 Ca 0.00 -1.93 -0.35 0.00 -0.01 0.00 0.00 54.79 52.50 2bhb n ASP 38 Cb 0.00 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 2bhb n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bhb s SER 39 N -1.31 6.46 0.21 -1.12 1.04 -0.18 -5.03 113.70 113.77 2bhb s SER 39 Ca 0.37 0.50 0.11 0.00 0.48 0.00 0.00 55.95 57.42 2bhb s SER 39 Cb 0.20 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 2bhb s SER 39 CO 0.28 0.29 -0.23 -1.61 0.98 0.00 0.00 173.24 172.95 2bhb s GLU 40 N -1.63 1.55 0.70 4.02 2.02 -1.26 -0.88 118.70 123.21 2bhb s GLU 40 Ca 0.25 -1.58 -0.12 0.00 0.02 0.00 0.00 54.97 53.54 2bhb s GLU 40 Cb -0.13 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.32 2bhb s GLU 40 CO 0.14 0.38 1.08 0.71 0.02 0.00 0.00 175.26 177.59 2bhb s TYR 41 N -1.90 2.82 0.28 1.61 2.02 0.03 -4.68 117.35 117.52 2bhb s TYR 41 Ca 0.23 1.51 -0.30 0.00 -0.37 0.00 0.00 57.07 58.13 2bhb s TYR 41 Cb -0.07 -3.01 -0.13 0.00 -0.40 0.00 0.00 41.96 38.35 2bhb s TYR 41 CO 0.11 -1.49 1.43 -2.30 -1.57 0.00 0.00 175.55 171.73 2bhb n PRO 42 N -2.98 2.23 -2.08 -1.71 -0.02 -1.26 -4.74 135.00 124.44 2bhb n PRO 42 Ca 0.09 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 2bhb n PRO 42 Cb 0.53 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2bhb n PRO 42 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bhb s TYR 43 N -0.27 3.13 -0.21 6.00 5.04 -1.26 -5.00 117.35 124.78 2bhb s TYR 43 Ca 0.64 1.01 0.01 0.00 -2.44 0.00 0.00 57.07 56.29 2bhb s TYR 43 Cb -0.59 -3.75 0.05 0.00 0.35 0.00 0.00 41.96 38.01 2bhb s TYR 43 CO 0.52 -2.51 -0.09 0.50 -1.34 0.00 0.00 175.55 172.64 2bhb s ARG 44 N 0.16 1.90 0.55 4.97 6.06 -1.26 -5.13 118.95 126.20 2bhb s ARG 44 Ca 0.61 -0.88 -0.21 0.00 -2.50 0.00 0.00 55.73 52.75 2bhb s ARG 44 Cb -0.40 -2.46 -0.05 0.00 0.06 0.00 0.00 34.95 32.11 2bhb s ARG 44 CO 0.38 -0.48 1.28 -1.14 -2.50 0.00 0.00 175.30 172.84 2bhb s GLN 45 N 1.40 3.15 0.20 5.12 2.00 -1.26 -4.77 119.66 125.50 2bhb s GLN 45 Ca -0.03 2.03 -0.32 0.00 -2.00 0.00 0.00 55.36 55.04 2bhb s GLN 45 Cb -0.17 -2.16 -0.13 0.00 0.80 0.00 0.00 33.01 31.35 2bhb s GLN 45 CO -0.07 -1.12 1.66 -1.71 -0.50 0.00 0.00 175.29 173.55 2bhb n ASN 46 N -1.15 3.66 -0.23 6.67 2.85 -1.26 -4.89 115.26 120.92 2bhb n ASN 46 Ca 0.11 1.08 -0.03 0.00 -0.11 0.00 0.00 54.58 55.63 2bhb n ASN 46 Cb 0.47 -1.52 0.16 0.00 1.24 0.00 0.00 39.78 40.12 2bhb n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2bhb h SER 47 N 6.30 0.94 -0.25 1.20 0.02 -1.94 0.26 113.55 120.07 2bhb h SER 47 Ca -0.44 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.33 2bhb h SER 47 Cb 1.22 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2bhb h SER 47 CO 0.92 0.80 -0.12 0.44 -1.14 0.00 0.00 176.83 177.73 2bhb h ASP 48 N 1.02 0.54 -0.53 3.07 3.32 -1.95 -0.47 116.42 121.42 2bhb h ASP 48 Ca 0.25 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2bhb h ASP 48 Cb 0.12 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2bhb h ASP 48 CO -0.03 0.83 0.31 0.15 -1.72 0.00 0.00 179.24 178.77 2bhb h PHE 49 N 0.24 0.71 -0.43 4.55 3.57 -1.74 -2.86 116.94 120.99 2bhb h PHE 49 Ca 0.06 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2bhb h PHE 49 Cb 0.63 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2bhb h PHE 49 CO 0.06 0.51 0.22 2.35 -2.23 0.00 0.00 178.31 179.22 2bhb h TRP 50 N 0.71 0.40 -1.00 0.41 2.91 -0.92 -2.59 115.95 115.87 2bhb h TRP 50 Ca 0.19 0.02 0.21 0.00 1.13 0.00 0.00 58.89 60.44 2bhb h TRP 50 Cb 0.02 -0.12 -0.11 0.00 -0.51 0.00 0.00 29.16 28.44 2bhb h TRP 50 CO -0.02 0.21 0.61 -0.92 -1.03 0.00 0.00 178.44 177.29 2bhb h TYR 51 N 0.44 1.03 -0.00 2.65 3.20 -0.85 0.22 116.97 123.65 2bhb h TYR 51 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2bhb h TYR 51 Cb 0.08 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.04 2bhb h TYR 51 CO -0.10 0.17 -0.55 1.19 -1.64 0.00 0.00 178.16 177.23 2bhb n PHE 52 N -4.80 0.00 0.00 -3.82 3.72 -1.09 -4.69 117.46 106.79 2bhb n PHE 52 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 2bhb n PHE 52 Cb 0.65 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2bhb n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2bhb n THR 53 N -1.13 0.00 -2.26 4.37 -2.24 -0.81 -4.79 114.28 107.41 2bhb n THR 53 Ca 0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 2bhb n THR 53 Cb 0.35 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 2bhb n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bhb n GLY 54 N 1.75 -0.09 3.47 3.38 0.00 0.72 -4.96 105.19 109.47 2bhb n GLY 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2bhb n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bhb s PHE 55 N -2.94 3.10 -0.52 1.61 5.36 -1.26 -5.01 117.98 118.32 2bhb s PHE 55 Ca 0.00 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.64 2bhb s PHE 55 Cb 0.00 -2.19 0.53 0.00 -0.34 0.00 0.00 43.02 41.02 2bhb s PHE 55 CO 0.00 -0.26 1.84 -1.71 -1.46 0.00 0.00 175.22 173.63 2bhb n ASN 56 N 4.59 5.56 -4.53 6.13 5.15 -1.26 -4.77 115.26 126.13 2bhb n ASN 56 Ca -0.16 -3.73 -0.30 0.00 -0.60 0.00 0.00 54.58 49.79 2bhb n ASN 56 Cb 0.52 -0.83 -0.11 0.00 -0.53 0.00 0.00 39.78 38.83 2bhb n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bhb s GLU 57 N -3.57 2.02 0.99 1.20 2.02 -1.26 -4.93 118.70 115.16 2bhb s GLU 57 Ca 0.59 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 54.36 2bhb s GLU 57 Cb 0.48 -2.24 0.19 0.00 0.10 0.00 0.00 34.13 32.66 2bhb s GLU 57 CO 0.03 0.51 1.20 -1.25 0.02 0.00 0.00 175.26 175.77 2bhb s PRO 58 N -2.06 0.48 -1.15 0.39 0.04 -1.26 -4.54 135.00 126.88 2bhb s PRO 58 Ca 0.19 -0.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.04 2bhb s PRO 58 Cb -0.11 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2bhb s PRO 58 CO 0.11 -2.58 0.81 0.39 0.04 0.00 0.00 177.00 175.77 2bhb n GLU 59 N -3.96 -2.31 -3.86 4.56 1.02 -1.26 -4.63 120.64 110.19 2bhb n GLU 59 Ca 0.11 0.61 -0.11 0.00 -0.02 0.00 0.00 57.16 57.75 2bhb n GLU 59 Cb 0.60 -4.84 -0.11 0.00 -0.02 0.00 0.00 31.44 27.07 2bhb n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bhb s ALA 60 N -3.49 -0.31 -0.08 0.62 0.00 -1.26 -3.43 121.76 113.82 2bhb s ALA 60 Ca 0.37 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 2bhb s ALA 60 Cb -0.10 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2bhb s ALA 60 CO 0.82 -0.17 0.18 0.08 0.00 0.00 0.00 175.76 176.67 2bhb s VAL 61 N -0.98 -0.15 -0.17 0.00 1.01 -0.05 -1.23 120.40 118.84 2bhb s VAL 61 Ca -0.11 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 2bhb s VAL 61 Cb -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2bhb s VAL 61 CO 0.01 0.10 0.48 -0.22 0.00 0.00 0.00 175.10 175.47 2bhb s LEU 62 N 1.66 4.20 -0.22 3.92 2.96 -0.04 -0.47 118.68 130.69 2bhb s LEU 62 Ca -0.04 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2bhb s LEU 62 Cb -0.12 -2.68 0.04 0.00 0.50 0.00 0.00 46.19 43.94 2bhb s LEU 62 CO -0.07 -0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.04 2bhb s VAL 63 N 1.17 2.21 -0.25 1.68 1.01 0.12 -1.22 120.40 125.11 2bhb s VAL 63 Ca 0.24 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 2bhb s VAL 63 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2bhb s VAL 63 CO 0.10 0.25 0.09 -0.76 0.00 0.00 0.00 175.10 174.78 2bhb s LEU 64 N 1.21 3.56 -0.21 3.92 1.43 -0.61 -0.41 118.68 127.57 2bhb s LEU 64 Ca -0.02 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2bhb s LEU 64 Cb -0.16 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2bhb s LEU 64 CO -0.09 -0.03 -0.05 -0.63 0.23 0.00 0.00 176.35 175.79 2bhb s ILE 65 N 1.61 3.38 -0.35 -0.59 1.01 0.09 -0.55 121.20 125.81 2bhb s ILE 65 Ca 0.06 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2bhb s ILE 65 Cb -0.15 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.81 2bhb s ILE 65 CO 0.05 0.43 0.16 -0.75 0.00 0.00 0.00 174.94 174.83 2bhb s LYS 66 N 1.38 2.84 -0.02 2.79 2.20 0.18 -1.17 119.74 127.93 2bhb s LYS 66 Ca 0.05 -1.05 -0.21 0.00 -0.36 0.00 0.00 55.97 54.39 2bhb s LYS 66 Cb -0.14 -3.61 -0.26 0.00 -1.51 0.00 0.00 37.83 32.31 2bhb s LYS 66 CO -0.03 -0.64 1.03 0.77 -0.36 0.00 0.00 175.35 176.12 2bhb h SER 67 N 8.35 0.47 -0.98 1.43 0.02 -1.33 0.23 113.55 121.74 2bhb h SER 67 Ca -0.26 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.87 2bhb h SER 67 Cb 1.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2bhb h SER 67 CO 0.64 1.24 0.01 -0.90 -1.14 0.00 0.00 176.83 176.68 2bhb n ASP 68 N -4.23 -0.09 0.22 3.07 5.68 -0.96 -2.85 116.55 117.39 2bhb n ASP 68 Ca -0.11 -1.06 0.15 0.00 -0.50 0.00 0.00 54.79 53.27 2bhb n ASP 68 Cb 0.69 0.14 0.73 0.00 -1.14 0.00 0.00 41.12 41.55 2bhb n ASP 68 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bhb h ASP 69 N 0.08 0.00 0.00 -1.12 5.19 -1.97 -2.98 116.42 115.62 2bhb h ASP 69 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2bhb h ASP 69 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2bhb h ASP 69 CO 0.02 0.00 -0.07 0.35 -3.12 0.00 0.00 179.24 176.41 2bhb n THR 70 N -2.59 0.71 -3.62 0.35 -2.24 -1.26 -5.04 114.28 100.60 2bhb n THR 70 Ca -0.01 -0.78 -0.18 0.00 -2.27 0.00 0.00 64.05 60.82 2bhb n THR 70 Cb 0.13 0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 68.74 2bhb n THR 70 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2bhb s HIS 71 N -0.88 -0.16 0.11 4.78 5.65 -1.13 -5.12 115.29 118.54 2bhb s HIS 71 Ca 0.06 0.39 -0.21 0.00 0.25 0.00 0.00 55.06 55.55 2bhb s HIS 71 Cb 0.05 -0.34 0.05 0.00 -1.18 0.00 0.00 32.58 31.16 2bhb s HIS 71 CO 0.01 -0.39 0.51 0.54 -0.65 0.00 0.00 174.74 174.76 2bhb s ASN 72 N 2.28 -0.42 0.12 9.88 2.20 -1.26 -0.99 114.94 126.76 2bhb s ASN 72 Ca 0.04 -0.04 -0.10 0.00 -0.94 0.00 0.00 52.86 51.82 2bhb s ASN 72 Cb -0.13 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.64 2bhb s ASN 72 CO -0.08 -0.84 0.25 -1.38 -2.94 0.00 0.00 177.10 172.11 2bhb s HIS 73 N -3.29 0.17 -0.06 1.54 -3.43 -0.32 -5.00 115.29 104.90 2bhb s HIS 73 Ca -0.01 -0.57 0.04 0.00 -0.80 0.00 0.00 55.06 53.72 2bhb s HIS 73 Cb 0.00 -0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.12 2bhb s HIS 73 CO -0.09 -0.62 -0.17 -1.54 -2.00 0.00 0.00 174.74 170.32 2bhb s SER 74 N -2.88 3.80 -0.07 7.38 1.04 -1.26 -0.73 113.70 120.97 2bhb s SER 74 Ca 0.08 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.25 2bhb s SER 74 Cb 0.04 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.21 2bhb s SER 74 CO -0.08 0.29 -0.17 -0.69 0.98 0.00 0.00 173.24 173.58 2bhb s VAL 75 N -0.42 1.46 -0.16 5.02 1.01 0.46 -2.41 120.40 125.35 2bhb s VAL 75 Ca 0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2bhb s VAL 75 Cb -0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2bhb s VAL 75 CO 0.02 0.42 -0.04 -0.22 0.00 0.00 0.00 175.10 175.28 2bhb s LEU 76 N 0.37 3.17 -0.19 3.92 2.96 -0.14 0.14 118.68 128.91 2bhb s LEU 76 Ca -0.12 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 2bhb s LEU 76 Cb -0.15 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 2bhb s LEU 76 CO 0.04 0.14 0.29 -0.36 -1.32 0.00 0.00 176.35 175.14 2bhb s PHE 77 N 0.53 3.41 0.26 5.38 0.08 0.38 0.05 117.98 128.07 2bhb s PHE 77 Ca -0.03 0.52 -0.11 0.00 0.12 0.00 0.00 56.93 57.43 2bhb s PHE 77 Cb -0.14 -2.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 2bhb s PHE 77 CO 0.03 0.15 0.45 0.54 -0.10 0.00 0.00 175.22 176.29 2bhb s ASN 78 N 0.70 0.05 0.22 1.36 4.22 -0.37 -0.87 114.94 120.27 2bhb s ASN 78 Ca 0.15 -1.05 -0.30 0.00 -2.14 0.00 0.00 52.86 49.52 2bhb s ASN 78 Cb -0.13 0.58 -0.10 0.00 1.28 0.00 0.00 41.25 42.88 2bhb s ASN 78 CO 0.04 -1.15 1.41 -0.13 -2.04 0.00 0.00 177.10 175.24 2bhb s ARG 79 N -3.87 4.30 0.73 3.55 0.52 -1.22 -0.45 118.95 122.51 2bhb s ARG 79 Ca 0.25 2.22 -0.14 0.00 -0.52 0.00 0.00 55.73 57.54 2bhb s ARG 79 Cb -0.00 -3.14 0.04 0.00 0.52 0.00 0.00 34.95 32.37 2bhb s ARG 79 CO 0.11 -0.38 1.14 0.54 0.02 0.00 0.00 175.30 176.73 2bhb s VAL 80 N 0.15 2.80 0.44 3.52 0.11 -1.26 -3.62 120.40 122.54 2bhb s VAL 80 Ca 0.59 0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 59.77 2bhb s VAL 80 Cb -0.40 -2.81 -0.09 0.00 -1.53 0.00 0.00 36.38 31.55 2bhb s VAL 80 CO 0.40 -0.26 1.06 -0.13 -3.33 0.00 0.00 175.10 172.84 2bhb s ARG 81 N -4.23 3.97 -0.27 1.54 0.52 -1.26 -4.82 118.95 114.39 2bhb s ARG 81 Ca 0.68 1.47 -0.02 0.00 -0.52 0.00 0.00 55.73 57.34 2bhb s ARG 81 Cb -0.23 -2.34 0.16 0.00 0.52 0.00 0.00 34.95 33.06 2bhb s ARG 81 CO 0.47 -0.30 0.51 0.34 0.02 0.00 0.00 175.30 176.34 2bhb s ASP 82 N -1.72 -0.71 0.15 0.23 -1.08 -1.26 -5.06 116.67 107.22 2bhb s ASP 82 Ca 0.62 0.67 -0.16 0.00 -0.52 0.00 0.00 52.55 53.16 2bhb s ASP 82 Cb -0.20 1.74 0.05 0.00 -1.46 0.00 0.00 42.92 43.05 2bhb s ASP 82 CO 0.25 -0.27 1.77 0.25 0.52 0.00 0.00 175.17 177.68 2bhb h LEU 83 N 8.08 0.22 -0.09 -1.34 5.85 -1.99 -1.82 115.31 124.21 2bhb h LEU 83 Ca -0.21 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2bhb h LEU 83 Cb 1.15 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2bhb h LEU 83 CO 0.25 0.16 0.03 0.74 -0.34 0.00 0.00 178.44 179.28 2bhb h THR 84 N 0.34 1.18 0.00 1.05 2.02 -1.99 -1.20 112.91 114.31 2bhb h THR 84 Ca 0.16 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2bhb h THR 84 Cb 0.09 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2bhb h THR 84 CO -0.13 0.16 -0.02 0.00 0.37 0.00 0.00 175.52 175.90 2bhb h ALA 85 N 0.83 1.04 0.07 6.16 0.00 -1.94 -2.74 119.26 122.68 2bhb h ALA 85 Ca 0.03 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 2bhb h ALA 85 Cb 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2bhb h ALA 85 CO -0.00 0.02 -2.09 0.39 0.00 0.00 0.00 179.25 177.57 2bhb n GLU 86 N -3.16 0.71 -0.21 0.00 1.02 -0.70 -1.52 120.64 116.78 2bhb n GLU 86 Ca -0.01 0.22 0.15 0.00 -0.02 0.00 0.00 57.16 57.50 2bhb n GLU 86 Cb 0.19 -1.67 0.47 0.00 -0.02 0.00 0.00 31.44 30.42 2bhb n GLU 86 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bhb h ILE 87 N 0.04 0.78 0.00 -3.67 2.04 -1.16 -1.45 117.51 114.08 2bhb h ILE 87 Ca -0.45 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2bhb h ILE 87 Cb 2.02 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2bhb h ILE 87 CO 0.04 0.09 -0.14 -0.50 0.00 0.00 0.00 178.15 177.64 2bhb h TRP 88 N 0.49 0.00 -0.05 1.37 4.06 -1.58 -3.43 115.95 116.81 2bhb h TRP 88 Ca 0.42 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.37 2bhb h TRP 88 Cb 0.90 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 2bhb h TRP 88 CO -0.00 0.00 0.00 1.19 -3.56 0.00 0.00 178.44 176.07 2bhb n PHE 89 N -3.58 0.03 0.00 0.49 3.72 -0.57 -5.07 117.46 112.47 2bhb n PHE 89 Ca -0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2bhb n PHE 89 Cb 0.07 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2bhb n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bhb n GLY 90 N 1.10 2.22 3.76 1.37 0.00 -0.55 -4.99 105.19 108.10 2bhb n GLY 90 Ca 0.12 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 2bhb n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bhb s ARG 91 N -2.54 3.03 0.05 1.61 0.52 -1.26 -4.37 118.95 115.98 2bhb s ARG 91 Ca 0.00 1.80 0.08 0.00 -0.52 0.00 0.00 55.73 57.09 2bhb s ARG 91 Cb 0.00 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 2bhb s ARG 91 CO 0.00 -1.16 -0.22 1.03 0.02 0.00 0.00 175.30 174.97 2bhb s ARG 92 N -3.32 1.48 0.06 3.54 0.52 -1.26 -5.05 118.95 114.92 2bhb s ARG 92 Ca 0.77 -1.01 -0.25 0.00 -0.52 0.00 0.00 55.73 54.73 2bhb s ARG 92 Cb -0.30 -1.63 -0.16 0.00 0.52 0.00 0.00 34.95 33.38 2bhb s ARG 92 CO 0.32 0.41 1.61 1.25 0.02 0.00 0.00 175.30 178.91 2bhb h LEU 93 N 4.78 -0.08 0.00 2.53 5.85 -1.95 -3.47 115.31 122.97 2bhb h LEU 93 Ca -0.44 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.19 2bhb h LEU 93 Cb 1.16 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2bhb h LEU 93 CO 0.43 0.05 -0.02 0.61 -0.34 0.00 0.00 178.44 179.18 2bhb n GLY 94 N -0.81 -2.05 0.11 3.75 0.00 -1.24 -4.30 105.19 100.65 2bhb n GLY 94 Ca -0.08 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 2bhb n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bhb h GLN 95 N 0.00 0.19 -0.16 1.61 7.50 -1.89 -3.32 115.11 119.04 2bhb h GLN 95 Ca 0.00 -0.32 -0.00 0.00 0.50 0.00 0.00 58.65 58.82 2bhb h GLN 95 Cb 0.05 0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 2bhb h GLN 95 CO 0.00 0.98 0.08 -0.44 -1.50 0.00 0.00 178.83 177.95 2bhb h ASP 96 N 0.05 0.20 1.31 1.46 3.32 -1.91 -3.16 116.42 117.69 2bhb h ASP 96 Ca -0.32 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2bhb h ASP 96 Cb 2.02 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.52 2bhb h ASP 96 CO 0.11 0.25 -0.10 0.00 -1.72 0.00 0.00 179.24 177.78 2bhb n ALA 97 N -2.19 2.41 -0.04 3.45 0.00 -1.26 -4.41 120.51 118.47 2bhb n ALA 97 Ca -0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2bhb n ALA 97 Cb 0.08 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 2bhb n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bhb h ALA 98 N 2.59 0.16 -0.65 0.00 0.00 -1.65 -1.55 119.26 118.16 2bhb h ALA 98 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.78 2bhb h ALA 98 Cb 0.71 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 2bhb h ALA 98 CO 0.00 -0.05 0.03 -1.35 0.00 0.00 0.00 179.25 177.87 2bhb h PRO 99 N -0.13 0.13 -0.04 0.00 0.11 -1.76 0.16 132.00 130.48 2bhb h PRO 99 Ca 0.02 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2bhb h PRO 99 Cb 0.53 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2bhb h PRO 99 CO 0.02 0.09 -0.12 1.49 -0.21 0.00 0.00 178.00 179.27 2bhb h GLU 100 N 0.14 0.14 -0.11 1.05 4.22 -1.80 -0.02 114.58 118.20 2bhb h GLU 100 Ca 0.35 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.68 2bhb h GLU 100 Cb 0.57 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2bhb h GLU 100 CO -0.54 0.73 0.07 -0.22 -2.18 0.00 0.00 179.01 176.87 2bhb h LYS 101 N -0.41 0.15 -0.23 1.92 1.63 -0.97 -3.24 116.57 115.41 2bhb h LYS 101 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2bhb h LYS 101 Cb 0.74 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2bhb h LYS 101 CO 0.03 0.12 0.00 1.28 -3.45 0.00 0.00 179.45 177.42 2bhb n LEU 102 N -5.00 2.95 -2.40 5.20 4.77 0.54 -5.00 117.00 118.06 2bhb n LEU 102 Ca -0.05 -1.37 -0.18 0.00 -0.03 0.00 0.00 56.01 54.38 2bhb n LEU 102 Cb 0.04 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 2bhb n LEU 102 CO 0.34 0.61 -0.06 0.61 -1.33 0.00 0.00 177.39 177.55 2bhb n GLY 103 N 1.13 -0.33 3.90 -0.72 0.00 -0.05 -4.97 105.19 104.14 2bhb n GLY 103 Ca 0.14 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2bhb n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bhb s VAL 104 N -3.02 4.68 0.09 1.61 -7.23 -1.03 -5.01 120.40 110.49 2bhb s VAL 104 Ca 0.18 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2bhb s VAL 104 Cb -0.08 -3.58 -0.25 0.00 0.56 0.00 0.00 36.38 33.03 2bhb s VAL 104 CO 0.23 -0.31 1.18 0.44 -0.31 0.00 0.00 175.10 176.32 2bhb h ASP 105 N 1.29 0.26 -4.71 4.85 3.32 -1.79 -3.39 116.42 116.24 2bhb h ASP 105 Ca -0.49 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.15 2bhb h ASP 105 Cb 1.24 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.49 2bhb h ASP 105 CO 0.60 1.22 -0.33 -0.60 -1.72 0.00 0.00 179.24 178.41 2bhb s ARG 106 N -2.67 0.56 -0.03 3.56 3.52 -1.04 -4.95 118.95 117.91 2bhb s ARG 106 Ca -0.02 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 2bhb s ARG 106 Cb 0.08 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.75 2bhb s ARG 106 CO 0.86 -0.14 0.01 0.00 -0.81 0.00 0.00 175.30 175.22 2bhb s ALA 107 N -0.98 0.29 0.34 6.12 0.00 -1.26 -0.97 121.76 125.29 2bhb s ALA 107 Ca -0.11 0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.13 2bhb s ALA 107 Cb -0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 2bhb s ALA 107 CO 0.03 -0.13 -0.10 -0.51 0.00 0.00 0.00 175.76 175.05 2bhb s LEU 108 N 1.16 2.71 0.04 0.00 1.43 0.11 -4.86 118.68 119.27 2bhb s LEU 108 Ca -0.08 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 51.53 2bhb s LEU 108 Cb -0.13 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 2bhb s LEU 108 CO -0.02 -0.20 1.16 0.00 0.23 0.00 0.00 176.35 177.52 2bhb s ALA 109 N -2.63 3.37 0.51 4.21 0.00 -1.26 -1.23 121.76 124.72 2bhb s ALA 109 Ca 0.32 0.77 0.16 0.00 0.00 0.00 0.00 51.96 53.21 2bhb s ALA 109 Cb 0.02 -3.44 1.24 0.00 0.00 0.00 0.00 23.12 20.94 2bhb s ALA 109 CO 0.16 -0.44 2.11 0.35 0.00 0.00 0.00 175.76 177.94 2bhb h PHE 110 N 6.89 0.07 0.00 0.00 3.57 -1.05 0.25 116.94 126.66 2bhb h PHE 110 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2bhb h PHE 110 Cb 1.21 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2bhb h PHE 110 CO 0.68 0.04 0.00 0.66 -2.23 0.00 0.00 178.31 177.46 2bhb h SER 111 N 0.07 0.00 -0.60 0.41 4.64 -1.91 -2.32 113.55 113.83 2bhb h SER 111 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2bhb h SER 111 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2bhb h SER 111 CO -0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 2bhb n GLU 112 N -2.82 2.96 -0.07 4.77 -0.58 0.07 -4.73 120.64 120.25 2bhb n GLU 112 Ca -0.02 -2.56 -0.02 0.00 -0.42 0.00 0.00 57.16 54.15 2bhb n GLU 112 Cb 0.11 -1.56 0.23 0.00 -0.57 0.00 0.00 31.44 29.64 2bhb n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2bhb h ILE 113 N 3.59 1.22 0.00 -3.67 2.10 -1.44 -1.90 117.51 117.40 2bhb h ILE 113 Ca 0.00 -0.86 -0.06 0.00 1.08 0.00 0.00 64.86 65.03 2bhb h ILE 113 Cb 1.02 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.59 2bhb h ILE 113 CO 0.05 0.30 -0.26 0.78 -1.08 0.00 0.00 178.15 177.94 2bhb h ASN 114 N 0.65 0.00 1.44 2.19 2.35 -1.84 0.16 115.58 120.54 2bhb h ASN 114 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2bhb h ASN 114 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2bhb h ASN 114 CO 0.01 0.26 -0.41 1.56 -1.65 0.00 0.00 177.43 177.20 2bhb h GLN 115 N 0.00 0.00 0.00 0.81 7.50 -1.71 -3.41 115.11 118.29 2bhb h GLN 115 Ca -0.00 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 2bhb h GLN 115 Cb 0.75 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.26 2bhb h GLN 115 CO 0.03 0.00 -1.33 1.04 -1.50 0.00 0.00 178.83 177.07 2bhb n GLN 116 N -2.71 2.08 -0.21 1.46 1.13 -0.89 -4.71 117.38 113.54 2bhb n GLN 116 Ca 0.03 0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 55.03 2bhb n GLN 116 Cb 0.51 -1.12 0.03 0.00 0.11 0.00 0.00 30.24 29.77 2bhb n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2bhb h LEU 117 N 0.00 0.78 -1.39 1.08 5.85 -0.91 -2.21 115.31 118.51 2bhb h LEU 117 Ca -0.13 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2bhb h LEU 117 Cb 1.26 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2bhb h LEU 117 CO -0.00 0.71 0.16 0.10 -0.34 0.00 0.00 178.44 179.07 2bhb h TYR 118 N 0.79 0.57 -0.36 1.25 -0.00 -1.82 -1.51 116.97 115.89 2bhb h TYR 118 Ca 0.20 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.73 58.85 2bhb h TYR 118 Cb 0.16 -0.18 -0.02 0.00 -0.00 0.00 0.00 36.73 36.69 2bhb h TYR 118 CO 0.00 0.45 -0.03 1.96 -0.00 0.00 0.00 178.16 180.55 2bhb h GLN 119 N 0.58 0.58 0.00 0.10 4.20 -1.69 -0.03 115.11 118.85 2bhb h GLN 119 Ca 0.14 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2bhb h GLN 119 Cb 0.12 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2bhb h GLN 119 CO -0.01 0.63 -0.59 -0.07 -0.67 0.00 0.00 178.83 178.12 2bhb h LEU 120 N 0.55 0.00 0.00 1.46 3.38 -0.94 -3.24 115.31 116.53 2bhb h LEU 120 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bhb h LEU 120 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2bhb h LEU 120 CO 0.02 0.59 -0.79 -0.07 0.09 0.00 0.00 178.44 178.27 2bhb h LEU 121 N 0.00 0.00 -9.47 1.67 3.38 -0.92 -3.47 115.31 106.51 2bhb h LEU 121 Ca -0.01 -0.21 -0.58 0.00 0.09 0.00 0.00 57.88 57.18 2bhb h LEU 121 Cb 1.09 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.89 2bhb h LEU 121 CO 0.08 0.10 0.91 -3.20 0.09 0.00 0.00 178.44 176.42 2bhb n ASN 122 N -2.19 3.33 0.00 -0.43 5.15 -0.06 -2.38 115.26 118.67 2bhb n ASN 122 Ca 0.02 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 2bhb n ASN 122 Cb 0.46 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 2bhb n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bhb n GLY 123 N 3.75 1.64 3.86 8.20 0.00 -0.87 -4.97 105.19 116.79 2bhb n GLY 123 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2bhb n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bhb s LEU 124 N 0.00 3.00 -0.14 0.99 1.43 -1.00 -4.99 118.68 117.97 2bhb s LEU 124 Ca 0.00 1.32 0.17 0.00 -1.03 0.00 0.00 54.13 54.59 2bhb s LEU 124 Cb 0.00 -4.18 -0.25 0.00 0.03 0.00 0.00 46.19 41.79 2bhb s LEU 124 CO 0.00 -1.29 0.26 0.47 0.23 0.00 0.00 176.35 176.02 2bhb n ASP 125 N -3.00 0.21 -3.94 2.29 8.00 0.42 -3.35 116.55 117.19 2bhb n ASP 125 Ca 0.07 0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 2bhb n ASP 125 Cb 0.55 0.83 -0.14 0.00 -0.02 0.00 0.00 41.12 42.34 2bhb n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bhb s VAL 126 N -2.61 0.27 -0.10 2.53 1.01 -1.11 -2.85 120.40 117.54 2bhb s VAL 126 Ca -0.08 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2bhb s VAL 126 Cb 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2bhb s VAL 126 CO 0.83 0.01 -0.16 0.54 0.00 0.00 0.00 175.10 176.32 2bhb s VAL 127 N -0.26 1.53 -0.33 2.92 0.11 -0.37 -2.34 120.40 121.66 2bhb s VAL 127 Ca -0.01 -0.68 -0.18 0.00 -2.93 0.00 0.00 61.98 58.18 2bhb s VAL 127 Cb -0.02 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.44 2bhb s VAL 127 CO -0.00 0.44 0.51 -0.31 -3.33 0.00 0.00 175.10 172.41 2bhb s TYR 128 N 0.78 3.20 -0.10 1.54 1.51 0.15 -0.78 117.35 123.64 2bhb s TYR 128 Ca -0.11 0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 56.18 2bhb s TYR 128 Cb -0.16 -2.86 0.03 0.00 -0.11 0.00 0.00 41.96 38.86 2bhb s TYR 128 CO 0.02 -0.47 0.24 -1.58 -1.11 0.00 0.00 175.55 172.65 2bhb s HIS 129 N 2.36 -0.29 -1.18 2.71 2.46 -0.19 -0.89 115.29 120.27 2bhb s HIS 129 Ca 0.19 0.71 -0.18 0.00 0.47 0.00 0.00 55.06 56.25 2bhb s HIS 129 Cb -0.15 0.07 0.10 0.00 -0.13 0.00 0.00 32.58 32.46 2bhb s HIS 129 CO 0.12 -0.18 1.53 0.00 -2.47 0.00 0.00 174.74 173.74 2bhb s ALA 130 N 0.69 3.37 0.19 1.58 0.00 -1.26 -3.90 121.76 122.43 2bhb s ALA 130 Ca -0.05 -2.88 -0.31 0.00 0.00 0.00 0.00 51.96 48.73 2bhb s ALA 130 Cb -0.06 -4.42 -0.09 0.00 0.00 0.00 0.00 23.12 18.55 2bhb s ALA 130 CO -0.04 -3.19 1.42 -1.14 0.00 0.00 0.00 175.76 172.81 2bhb s GLN 131 N 3.52 4.30 0.00 0.00 0.74 -1.26 -2.49 119.66 124.47 2bhb s GLN 131 Ca 0.47 2.21 0.00 0.00 0.05 0.00 0.00 55.36 58.09 2bhb s GLN 131 Cb 0.00 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.95 2bhb s GLN 131 CO 0.00 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 2bhb n GLY 132 N 2.82 1.00 0.27 2.59 0.00 -1.26 -4.94 105.19 105.67 2bhb n GLY 132 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2bhb n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bhb h GLU 133 N 3.48 -0.58 -4.68 1.61 4.57 -1.93 -3.44 114.58 113.61 2bhb h GLU 133 Ca 0.00 0.04 -0.43 0.00 -1.18 0.00 0.00 59.36 57.79 2bhb h GLU 133 Cb 0.00 0.13 -0.30 0.00 -0.16 0.00 0.00 28.75 28.42 2bhb h GLU 133 CO 0.00 -0.28 -0.79 0.71 -1.18 0.00 0.00 179.01 177.47 2bhb s TYR 134 N -4.95 0.96 0.30 0.92 2.02 -1.26 -5.06 117.35 110.28 2bhb s TYR 134 Ca -0.15 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2bhb s TYR 134 Cb 0.02 -0.66 0.47 0.00 -0.40 0.00 0.00 41.96 41.39 2bhb s TYR 134 CO 0.53 -0.08 1.82 0.00 -1.57 0.00 0.00 175.55 176.25 2bhb h ALA 135 N 6.25 1.24 -0.37 3.71 0.00 -1.99 -2.34 119.26 125.76 2bhb h ALA 135 Ca -0.33 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2bhb h ALA 135 Cb 1.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2bhb h ALA 135 CO 0.49 0.51 -0.16 0.10 0.00 0.00 0.00 179.25 180.19 2bhb h TYR 136 N 0.62 0.74 -0.29 0.00 -0.00 -1.99 -1.84 116.97 114.21 2bhb h TYR 136 Ca 0.13 -0.14 -0.06 0.00 -0.00 0.00 0.00 58.73 58.66 2bhb h TYR 136 Cb 0.39 -0.19 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 2bhb h TYR 136 CO 0.02 0.79 -0.03 0.00 -0.00 0.00 0.00 178.16 178.93 2bhb h ALA 137 N 1.22 0.40 -0.82 0.10 0.00 -1.90 -2.34 119.26 115.91 2bhb h ALA 137 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2bhb h ALA 137 Cb 0.61 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2bhb h ALA 137 CO 0.04 0.18 0.47 -0.44 0.00 0.00 0.00 179.25 179.50 2bhb h ASP 138 N 0.31 1.01 -0.19 0.00 3.32 -1.30 -0.27 116.42 119.29 2bhb h ASP 138 Ca 0.08 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2bhb h ASP 138 Cb 0.49 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2bhb h ASP 138 CO 0.02 0.79 0.11 0.58 -1.72 0.00 0.00 179.24 179.02 2bhb h VAL 139 N 1.13 1.02 -0.51 -1.35 2.07 -1.27 -0.12 116.25 117.21 2bhb h VAL 139 Ca 0.29 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 2bhb h VAL 139 Cb -0.01 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2bhb h VAL 139 CO -0.05 0.04 0.30 0.40 0.02 0.00 0.00 177.57 178.28 2bhb h ILE 140 N 0.22 1.16 -0.17 4.57 2.04 -1.09 -1.72 117.51 122.51 2bhb h ILE 140 Ca 0.07 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 2bhb h ILE 140 Cb 0.00 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2bhb h ILE 140 CO -0.04 0.17 -0.43 0.58 0.00 0.00 0.00 178.15 178.43 2bhb h VAL 141 N 0.69 1.34 -0.20 1.67 2.07 -0.90 -2.32 116.25 118.59 2bhb h VAL 141 Ca 0.18 -1.68 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 2bhb h VAL 141 Cb 0.00 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2bhb h VAL 141 CO -0.03 0.52 -0.28 0.78 0.02 0.00 0.00 177.57 178.57 2bhb h ASN 142 N 0.25 0.39 -0.45 0.57 2.35 -1.03 -2.10 115.58 115.57 2bhb h ASN 142 Ca -0.00 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 2bhb h ASN 142 Cb 1.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2bhb h ASN 142 CO 0.09 0.67 -0.15 -1.28 -1.65 0.00 0.00 177.43 175.11 2bhb h SER 143 N 0.34 0.90 -0.60 5.81 0.87 -1.29 -1.67 113.55 117.92 2bhb h SER 143 Ca 0.05 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2bhb h SER 143 Cb 0.68 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 2bhb h SER 143 CO 0.05 1.08 0.31 0.00 -0.53 0.00 0.00 176.83 177.74 2bhb h ALA 144 N 0.86 0.77 -0.08 6.23 0.00 -1.16 -2.57 119.26 123.30 2bhb h ALA 144 Ca 0.11 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2bhb h ALA 144 Cb 0.71 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2bhb h ALA 144 CO 0.05 0.31 -0.69 -0.07 0.00 0.00 0.00 179.25 178.85 2bhb h LEU 145 N 0.81 0.42 -0.47 0.00 3.38 -1.32 -2.71 115.31 115.44 2bhb h LEU 145 Ca 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2bhb h LEU 145 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2bhb h LEU 145 CO -0.03 0.99 0.12 -0.33 0.09 0.00 0.00 178.44 179.27 2bhb h GLU 146 N 0.25 0.74 -0.62 1.13 4.39 -1.30 0.32 114.58 119.50 2bhb h GLU 146 Ca -0.02 -0.18 0.11 0.00 0.34 0.00 0.00 59.36 59.61 2bhb h GLU 146 Cb 1.24 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.71 2bhb h GLU 146 CO 0.12 0.73 0.18 0.87 -1.16 0.00 0.00 179.01 179.74 2bhb h LYS 147 N 0.62 0.32 -0.13 2.33 1.57 -1.39 -0.98 116.57 118.92 2bhb h LYS 147 Ca 0.15 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2bhb h LYS 147 Cb 0.32 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2bhb h LYS 147 CO 0.00 0.21 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.91 2bhb h LEU 148 N 0.32 0.32 -0.41 2.94 3.38 -1.29 -1.79 115.31 118.78 2bhb h LEU 148 Ca 0.33 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2bhb h LEU 148 Cb 0.47 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2bhb h LEU 148 CO -0.38 0.72 -0.01 0.03 0.09 0.00 0.00 178.44 178.90 2bhb h ARG 149 N -0.09 0.10 -0.01 1.13 3.08 -0.77 -2.75 114.38 115.08 2bhb h ARG 149 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2bhb h ARG 149 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2bhb h ARG 149 CO 0.03 0.06 -0.14 1.63 -1.07 0.00 0.00 179.97 180.48 2bhb n LYS 150 N -5.21 0.85 -1.36 0.04 5.02 -0.38 -4.28 118.16 112.84 2bhb n LYS 150 Ca 0.03 -0.38 -0.31 0.00 -2.02 0.00 0.00 58.31 55.63 2bhb n LYS 150 Cb 0.22 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2bhb n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bhb n GLY 151 N 1.28 5.65 0.21 0.72 0.00 -0.67 -4.66 105.19 107.72 2bhb n GLY 151 Ca 0.15 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 44.15 2bhb n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bhb h SER 152 N 1.80 0.00 1.21 1.61 4.64 -1.74 -0.99 113.55 120.09 2bhb h SER 152 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2bhb h SER 152 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2bhb h SER 152 CO 1.38 0.28 0.00 0.54 -0.87 0.00 0.00 176.83 178.16 2bhb n ARG 153 N -3.74 0.23 -0.74 4.77 1.74 -1.26 -1.62 116.66 116.04 2bhb n ARG 153 Ca -0.01 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.43 2bhb n ARG 153 Cb 0.38 -1.82 0.38 0.00 -1.02 0.00 0.00 32.46 30.39 2bhb n ARG 153 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2bhb n GLN 154 N -2.24 4.22 -3.73 5.56 3.00 -0.78 -4.96 117.38 118.45 2bhb n GLN 154 Ca 0.04 -3.01 -0.25 0.00 -0.01 0.00 0.00 57.00 53.77 2bhb n GLN 154 Cb 0.36 -2.05 0.05 0.00 0.00 0.00 0.00 30.24 28.60 2bhb n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2bhb n ASN 155 N 0.97 -4.43 -4.74 1.08 3.02 -0.64 -5.01 115.26 105.52 2bhb n ASN 155 Ca 0.27 -0.69 -0.33 0.00 -0.03 0.00 0.00 54.58 53.80 2bhb n ASN 155 Cb 1.02 -4.42 -0.08 0.00 -0.61 0.00 0.00 39.78 35.69 2bhb n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bhb s LEU 156 N -7.10 3.74 -0.01 3.41 1.43 -0.45 -5.00 118.68 114.71 2bhb s LEU 156 Ca 0.46 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2bhb s LEU 156 Cb -0.22 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2bhb s LEU 156 CO 0.78 0.29 -0.01 0.42 0.23 0.00 0.00 176.35 178.06 2bhb s THR 157 N -1.11 0.16 0.23 5.49 -4.23 -1.26 -3.83 115.64 111.09 2bhb s THR 157 Ca 0.20 -0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.53 2bhb s THR 157 Cb -0.12 -0.17 -0.08 0.00 1.34 0.00 0.00 72.50 73.47 2bhb s THR 157 CO 0.11 0.07 0.64 0.00 -0.54 0.00 0.00 174.62 174.90 2bhb s ALA 158 N 0.23 3.47 0.16 3.99 0.00 -1.26 -2.06 121.76 126.30 2bhb s ALA 158 Ca -0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 2bhb s ALA 158 Cb -0.04 -2.63 -0.10 0.00 0.00 0.00 0.00 23.12 20.35 2bhb s ALA 158 CO -0.01 0.41 1.53 -1.25 0.00 0.00 0.00 175.76 176.44 2bhb s PRO 159 N -2.41 4.24 0.39 0.00 0.04 -1.21 -4.90 135.00 131.14 2bhb s PRO 159 Ca 0.45 2.30 0.23 0.00 0.04 0.00 0.00 61.00 64.03 2bhb s PRO 159 Cb -0.13 -3.17 0.31 0.00 0.04 0.00 0.00 34.50 31.55 2bhb s PRO 159 CO 0.20 -0.56 1.53 0.00 0.04 0.00 0.00 177.00 178.21 2bhb h ALA 160 N 6.67 0.92 -3.29 8.56 0.00 -1.80 -3.45 119.26 126.87 2bhb h ALA 160 Ca -0.43 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 2bhb h ALA 160 Cb 1.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 2bhb h ALA 160 CO 0.90 0.00 -0.63 0.99 0.00 0.00 0.00 179.25 180.51 2bhb s THR 161 N -3.23 4.25 -0.09 0.00 2.01 -1.13 -5.07 115.64 112.38 2bhb s THR 161 Ca 0.06 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.87 2bhb s THR 161 Cb 0.06 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.69 2bhb s THR 161 CO 0.68 0.48 -0.22 -0.32 -0.69 0.00 0.00 174.62 174.55 2bhb s MET 162 N 0.36 2.77 -0.06 4.92 1.75 -1.26 -1.24 119.30 126.54 2bhb s MET 162 Ca -0.01 -0.80 0.04 0.00 -1.25 0.00 0.00 55.69 53.66 2bhb s MET 162 Cb -0.13 -2.13 0.00 0.00 2.84 0.00 0.00 34.83 35.41 2bhb s MET 162 CO 0.02 0.17 -0.18 0.42 -0.65 0.00 0.00 175.02 174.81 2bhb s ILE 163 N 0.34 1.52 -0.19 10.11 1.01 0.04 -4.97 121.20 129.05 2bhb s ILE 163 Ca -0.17 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 2bhb s ILE 163 Cb -0.17 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2bhb s ILE 163 CO 0.08 0.44 1.43 -0.62 0.00 0.00 0.00 174.94 176.26 2bhb s ASP 164 N 0.24 6.69 0.00 3.58 -1.08 -1.25 -1.03 116.67 123.81 2bhb s ASP 164 Ca -0.09 1.65 0.29 0.00 -0.52 0.00 0.00 52.55 53.88 2bhb s ASP 164 Cb -0.14 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.08 2bhb s ASP 164 CO 0.04 -0.99 1.92 -2.67 0.52 0.00 0.00 175.17 173.99 2bhb n TRP 165 N 7.42 0.00 -0.10 -5.34 4.27 -1.26 -4.31 117.44 118.12 2bhb n TRP 165 Ca 0.16 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.68 2bhb n TRP 165 Cb 0.45 -0.31 -0.01 0.00 -1.36 0.00 0.00 31.31 30.08 2bhb n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bhb h ARG 166 N 0.15 0.44 -0.73 -2.67 3.08 -1.91 -0.39 114.38 112.36 2bhb h ARG 166 Ca 0.00 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.17 2bhb h ARG 166 Cb 0.37 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.22 2bhb h ARG 166 CO 0.00 0.32 0.21 -1.35 -1.07 0.00 0.00 179.97 178.07 2bhb h PRO 167 N 0.44 0.30 -0.12 0.04 0.11 -1.99 0.23 132.00 131.01 2bhb h PRO 167 Ca 0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 2bhb h PRO 167 Cb -0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 2bhb h PRO 167 CO -0.02 0.20 -0.03 0.28 -0.21 0.00 0.00 178.00 178.21 2bhb h VAL 168 N 0.31 1.30 -0.11 3.15 2.07 -1.72 -2.22 116.25 119.03 2bhb h VAL 168 Ca 0.41 -0.99 -0.17 0.00 0.82 0.00 0.00 66.70 66.77 2bhb h VAL 168 Cb 0.67 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2bhb h VAL 168 CO -0.47 0.28 -0.65 0.58 0.02 0.00 0.00 177.57 177.33 2bhb h VAL 169 N -0.09 1.36 -0.07 2.57 2.07 -0.85 -2.18 116.25 119.07 2bhb h VAL 169 Ca 0.03 -2.00 -0.14 0.00 0.82 0.00 0.00 66.70 65.41 2bhb h VAL 169 Cb 0.46 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2bhb h VAL 169 CO 0.01 0.61 -0.57 0.45 0.02 0.00 0.00 177.57 178.09 2bhb h HIS 170 N 0.31 0.28 -0.41 1.57 3.86 -0.59 -1.29 115.15 118.88 2bhb h HIS 170 Ca -0.02 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.01 2bhb h HIS 170 Cb 1.21 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2bhb h HIS 170 CO 0.04 0.74 -0.07 1.49 0.86 0.00 0.00 177.93 180.99 2bhb h GLU 171 N 0.17 0.69 -0.03 2.45 4.57 -1.25 -1.19 114.58 119.99 2bhb h GLU 171 Ca -0.00 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2bhb h GLU 171 Cb 1.06 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2bhb h GLU 171 CO 0.09 0.76 0.01 0.52 -1.18 0.00 0.00 179.01 179.20 2bhb h MET 172 N 0.64 0.04 0.00 1.92 2.86 -1.13 -3.16 114.93 116.09 2bhb h MET 172 Ca 0.12 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2bhb h MET 172 Cb 0.50 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2bhb h MET 172 CO 0.03 0.25 -0.04 0.00 1.06 0.00 0.00 176.91 178.21 2bhb h ARG 173 N -0.17 0.00 0.00 1.72 3.08 -1.08 -2.55 114.38 115.38 2bhb h ARG 173 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2bhb h ARG 173 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2bhb h ARG 173 CO -0.00 0.04 -0.10 1.25 -1.07 0.00 0.00 179.97 180.08 2bhb h LEU 174 N 0.00 0.00 -8.25 3.04 5.85 -1.18 -3.39 115.31 111.38 2bhb h LEU 174 Ca -0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 2bhb h LEU 174 Cb 0.08 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 40.82 2bhb h LEU 174 CO 0.00 0.10 -0.64 -0.36 -0.34 0.00 0.00 178.44 177.21 2bhb s PHE 175 N -4.62 3.19 0.17 1.25 0.40 -0.96 -4.12 117.98 113.29 2bhb s PHE 175 Ca -0.04 -1.32 -0.24 0.00 -0.60 0.00 0.00 56.93 54.73 2bhb s PHE 175 Cb 0.15 -2.23 -0.08 0.00 0.51 0.00 0.00 43.02 41.38 2bhb s PHE 175 CO 0.64 -0.68 0.75 0.15 0.70 0.00 0.00 175.22 176.78 2bhb s LYS 176 N 1.42 4.49 0.75 0.44 3.01 -0.48 -4.97 119.74 124.39 2bhb s LYS 176 Ca -0.00 1.08 -0.12 0.00 -1.01 0.00 0.00 55.97 55.92 2bhb s LYS 176 Cb -0.18 -3.20 0.04 0.00 -1.01 0.00 0.00 37.83 33.48 2bhb s LYS 176 CO 0.01 0.55 1.13 -1.54 0.51 0.00 0.00 175.35 176.01 2bhb s SER 177 N -1.22 5.05 0.26 2.83 1.04 -1.26 -4.79 113.70 115.61 2bhb s SER 177 Ca 0.36 1.02 -0.02 0.00 0.48 0.00 0.00 55.95 57.79 2bhb s SER 177 Cb -0.22 -1.70 0.52 0.00 0.10 0.00 0.00 66.02 64.72 2bhb s SER 177 CO 0.25 -1.58 1.73 -0.65 0.98 0.00 0.00 173.24 173.97 2bhb h PRO 178 N -0.82 0.47 -0.41 4.02 0.11 -1.99 -0.75 132.00 132.63 2bhb h PRO 178 Ca -0.45 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2bhb h PRO 178 Cb 1.28 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2bhb h PRO 178 CO 0.64 0.31 0.24 0.93 -0.21 0.00 0.00 178.00 179.92 2bhb h GLU 179 N 0.49 0.48 -0.78 1.05 5.08 -1.93 -0.93 114.58 118.03 2bhb h GLU 179 Ca 0.45 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2bhb h GLU 179 Cb 0.70 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2bhb h GLU 179 CO -0.41 0.32 0.35 0.93 -1.00 0.00 0.00 179.01 179.19 2bhb h GLU 180 N 0.49 1.15 -0.44 2.33 5.08 -1.75 -2.07 114.58 119.37 2bhb h GLU 180 Ca 0.16 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2bhb h GLU 180 Cb 0.01 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2bhb h GLU 180 CO -0.07 0.91 -0.06 0.82 -1.00 0.00 0.00 179.01 179.61 2bhb h ILE 181 N 1.12 1.25 -0.73 3.13 2.04 -0.89 -0.67 117.51 122.76 2bhb h ILE 181 Ca 0.27 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 2bhb h ILE 181 Cb 0.16 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2bhb h ILE 181 CO -0.03 0.37 0.21 0.00 0.00 0.00 0.00 178.15 178.70 2bhb h ALA 182 N 1.24 0.95 -0.20 1.87 0.00 -0.82 0.90 119.26 123.20 2bhb h ALA 182 Ca 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2bhb h ALA 182 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2bhb h ALA 182 CO 0.03 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.21 2bhb h VAL 183 N 1.09 1.25 -0.34 0.00 2.07 -1.05 -2.49 116.25 116.78 2bhb h VAL 183 Ca 0.23 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 2bhb h VAL 183 Cb 0.33 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2bhb h VAL 183 CO -0.00 0.26 -0.01 -0.07 0.02 0.00 0.00 177.57 177.77 2bhb h LEU 184 N 0.11 0.50 -0.77 2.57 3.38 -1.00 -0.66 115.31 119.44 2bhb h LEU 184 Ca 0.06 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2bhb h LEU 184 Cb 0.39 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2bhb h LEU 184 CO 0.01 0.58 0.49 -0.09 0.09 0.00 0.00 178.44 179.52 2bhb h ARG 185 N 0.51 0.91 -0.15 1.13 2.43 -0.69 0.24 114.38 118.76 2bhb h ARG 185 Ca 0.11 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 2bhb h ARG 185 Cb 0.35 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2bhb h ARG 185 CO 0.01 0.60 -0.71 -0.09 -1.51 0.00 0.00 179.97 178.28 2bhb h ARG 186 N 0.94 0.67 -0.67 0.20 9.65 -0.96 -2.10 114.38 122.11 2bhb h ARG 186 Ca 0.31 -0.52 0.06 0.00 -1.10 0.00 0.00 59.98 58.73 2bhb h ARG 186 Cb 0.03 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 2bhb h ARG 186 CO -0.12 1.13 0.37 0.00 2.80 0.00 0.00 179.97 184.16 2bhb h ALA 187 N 0.73 0.89 -0.58 2.80 0.00 -0.87 -0.41 119.26 121.82 2bhb h ALA 187 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2bhb h ALA 187 Cb 1.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2bhb h ALA 187 CO 0.14 0.06 0.16 0.78 0.00 0.00 0.00 179.25 180.39 2bhb h GLY 188 N 0.69 0.94 0.80 0.00 0.00 -0.83 -0.58 103.07 104.09 2bhb h GLY 188 Ca 0.30 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2bhb h GLY 188 CO -0.18 0.50 -0.06 0.83 0.00 0.00 0.00 176.54 177.63 2bhb h GLU 189 N 0.85 0.38 -0.40 4.80 5.08 -1.08 -0.55 114.58 123.66 2bhb h GLU 189 Ca 0.19 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2bhb h GLU 189 Cb 0.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2bhb h GLU 189 CO -0.00 0.66 0.26 0.82 -1.00 0.00 0.00 179.01 179.74 2bhb h ILE 190 N 0.09 1.11 -0.64 3.13 2.04 -0.98 -1.10 117.51 121.15 2bhb h ILE 190 Ca 0.05 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2bhb h ILE 190 Cb 0.53 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2bhb h ILE 190 CO 0.02 0.10 0.06 0.74 0.00 0.00 0.00 178.15 179.08 2bhb h THR 191 N 0.53 1.26 -0.38 -0.27 2.02 -1.08 -2.17 112.91 112.83 2bhb h THR 191 Ca 0.14 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2bhb h THR 191 Cb -0.05 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2bhb h THR 191 CO -0.03 0.40 0.24 0.00 0.37 0.00 0.00 175.52 176.50 2bhb h ALA 192 N 1.02 0.48 -0.80 6.16 0.00 -0.91 -2.07 119.26 123.14 2bhb h ALA 192 Ca 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2bhb h ALA 192 Cb 0.49 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2bhb h ALA 192 CO 0.02 -0.04 0.53 0.52 0.00 0.00 0.00 179.25 180.28 2bhb h MET 193 N 0.50 0.96 -0.39 0.00 2.07 -0.97 -0.12 114.93 116.97 2bhb h MET 193 Ca 0.14 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.67 2bhb h MET 193 Cb -0.03 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.47 2bhb h MET 193 CO -0.03 0.63 0.10 0.00 1.07 0.00 0.00 176.91 178.69 2bhb h ALA 194 N 1.53 0.52 -0.48 6.32 0.00 -1.06 -1.99 119.26 124.11 2bhb h ALA 194 Ca 0.32 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2bhb h ALA 194 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2bhb h ALA 194 CO -0.09 0.19 -0.10 0.45 0.00 0.00 0.00 179.25 179.69 2bhb h HIS 195 N 0.49 1.02 -0.33 0.00 3.86 -0.94 -1.49 115.15 117.76 2bhb h HIS 195 Ca 0.12 -0.22 0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2bhb h HIS 195 Cb 0.29 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 2bhb h HIS 195 CO 0.02 0.99 -0.02 1.15 0.86 0.00 0.00 177.93 180.93 2bhb h THR 196 N 0.76 0.74 -0.74 2.45 2.02 -1.00 -2.29 112.91 114.85 2bhb h THR 196 Ca 0.12 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2bhb h THR 196 Cb 0.65 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2bhb h THR 196 CO 0.04 0.01 0.43 -0.09 0.37 0.00 0.00 175.52 176.29 2bhb h ARG 197 N 0.08 1.01 -0.62 6.66 2.43 -1.20 -1.52 114.38 121.22 2bhb h ARG 197 Ca 0.16 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2bhb h ARG 197 Cb 0.23 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2bhb h ARG 197 CO -0.28 0.73 0.39 0.00 -1.51 0.00 0.00 179.97 179.30 2bhb h ALA 198 N 1.23 0.80 -0.89 2.80 0.00 -1.06 -0.58 119.26 121.55 2bhb h ALA 198 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2bhb h ALA 198 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2bhb h ALA 198 CO -0.05 0.16 0.58 0.52 0.00 0.00 0.00 179.25 180.47 2bhb h MET 199 N 0.78 1.18 0.00 0.00 2.86 -1.05 -1.48 114.93 117.23 2bhb h MET 199 Ca 0.24 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 2bhb h MET 199 Cb -0.02 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 2bhb h MET 199 CO -0.08 0.79 -0.48 0.93 1.06 0.00 0.00 176.91 179.12 2bhb h GLU 200 N 1.21 0.00 0.00 1.72 5.08 -0.87 -3.25 114.58 118.48 2bhb h GLU 200 Ca 0.33 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 2bhb h GLU 200 Cb -0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2bhb h GLU 200 CO -0.07 0.48 -1.41 1.63 -1.00 0.00 0.00 179.01 178.64 2bhb n LYS 201 N -3.90 0.62 -1.68 2.33 4.76 -0.26 -4.71 118.16 115.32 2bhb n LYS 201 Ca -0.01 0.13 -0.46 0.00 -2.87 0.00 0.00 58.31 55.11 2bhb n LYS 201 Cb 0.51 -1.77 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 2bhb n LYS 201 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bhb s ARG 203 N 1.98 0.34 0.21 0.00 1.81 -1.26 -4.93 118.95 117.10 2bhb s ARG 203 Ca 0.82 -0.50 -0.32 0.00 -1.72 0.00 0.00 55.73 54.02 2bhb s ARG 203 Cb -0.63 -0.10 -0.14 0.00 -0.45 0.00 0.00 34.95 33.63 2bhb s ARG 203 CO 0.40 0.01 1.32 -2.30 -0.68 0.00 0.00 175.30 174.05 2bhb n PRO 204 N 1.98 1.71 0.00 3.54 -0.02 -1.26 -2.52 135.00 138.43 2bhb n PRO 204 Ca -0.20 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2bhb n PRO 204 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2bhb n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhb n GLY 205 N 2.12 3.34 3.76 -1.23 0.00 0.19 -4.97 105.19 108.40 2bhb n GLY 205 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2bhb n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bhb s MET 206 N -0.78 2.87 0.32 1.61 -1.94 -1.05 -4.70 119.30 115.64 2bhb s MET 206 Ca 0.00 1.53 -0.07 0.00 -1.71 0.00 0.00 55.69 55.44 2bhb s MET 206 Cb 0.00 -1.95 -0.06 0.00 2.01 0.00 0.00 34.83 34.83 2bhb s MET 206 CO 0.00 -1.22 0.63 -0.06 -0.01 0.00 0.00 175.02 174.36 2bhb s PHE 207 N -2.09 3.47 0.28 -0.03 0.40 -1.26 0.14 117.98 118.89 2bhb s PHE 207 Ca 0.70 0.80 0.02 0.00 -0.60 0.00 0.00 56.93 57.86 2bhb s PHE 207 Cb -0.23 -2.24 0.65 0.00 0.51 0.00 0.00 43.02 41.71 2bhb s PHE 207 CO 0.37 0.08 1.75 0.93 0.70 0.00 0.00 175.22 179.06 2bhb h GLU 208 N 1.61 0.59 0.00 0.44 5.08 -1.16 -1.07 114.58 120.07 2bhb h GLU 208 Ca -0.47 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2bhb h GLU 208 Cb 1.19 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2bhb h GLU 208 CO 0.66 0.39 -0.11 0.10 -1.00 0.00 0.00 179.01 179.04 2bhb h TYR 209 N 0.61 0.00 -0.85 4.33 -0.00 -1.48 -2.62 116.97 116.96 2bhb h TYR 209 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.24 2bhb h TYR 209 Cb 0.84 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.53 2bhb h TYR 209 CO -0.08 0.11 0.47 0.45 -0.00 0.00 0.00 178.16 179.11 2bhb h HIS 210 N 0.00 1.17 -0.21 0.10 3.86 -1.50 -0.98 115.15 117.59 2bhb h HIS 210 Ca -0.00 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 2bhb h HIS 210 Cb 0.31 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 2bhb h HIS 210 CO 0.00 0.81 -0.41 -0.07 0.86 0.00 0.00 177.93 179.12 2bhb h LEU 211 N 1.19 0.52 -0.84 2.43 3.38 -1.54 -2.19 115.31 118.26 2bhb h LEU 211 Ca 0.30 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2bhb h LEU 211 Cb 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2bhb h LEU 211 CO -0.05 0.88 0.52 -0.08 0.09 0.00 0.00 178.44 179.80 2bhb h GLU 212 N 0.41 0.94 -0.58 1.13 4.81 -1.37 -1.61 114.58 118.31 2bhb h GLU 212 Ca 0.03 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2bhb h GLU 212 Cb 0.89 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2bhb h GLU 212 CO 0.08 0.62 -0.01 0.78 -0.73 0.00 0.00 179.01 179.74 2bhb h GLY 213 N 0.97 1.11 0.95 1.92 0.00 -0.82 -1.38 103.07 105.82 2bhb h GLY 213 Ca 0.36 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2bhb h GLY 213 CO -0.16 0.75 0.18 0.83 0.00 0.00 0.00 176.54 178.14 2bhb h GLU 214 N 0.94 0.62 -0.20 4.80 4.39 -1.21 -1.84 114.58 122.09 2bhb h GLU 214 Ca 0.17 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2bhb h GLU 214 Cb 0.56 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2bhb h GLU 214 CO 0.03 0.57 0.09 0.82 -1.16 0.00 0.00 179.01 179.36 2bhb h ILE 215 N 0.53 1.15 -0.46 3.13 2.04 -1.15 -2.02 117.51 120.73 2bhb h ILE 215 Ca 0.14 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 2bhb h ILE 215 Cb 0.17 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2bhb h ILE 215 CO -0.01 0.14 -0.08 0.45 0.00 0.00 0.00 178.15 178.65 2bhb h HIS 216 N 0.18 0.88 -0.57 1.37 3.86 -1.25 -0.89 115.15 118.73 2bhb h HIS 216 Ca 0.07 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2bhb h HIS 216 Cb 0.14 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2bhb h HIS 216 CO -0.02 0.85 0.30 1.25 0.86 0.00 0.00 177.93 181.17 2bhb h HIS 217 N 0.74 0.80 -0.42 2.45 -0.00 -1.24 -1.49 115.15 115.99 2bhb h HIS 217 Ca 0.13 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 2bhb h HIS 217 Cb 0.55 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 2bhb h HIS 217 CO 0.03 0.59 0.11 1.49 -0.00 0.00 0.00 177.93 180.15 2bhb h GLU 218 N 0.77 0.66 -0.33 5.26 4.57 -1.07 -0.89 114.58 123.55 2bhb h GLU 218 Ca 0.20 -0.15 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 2bhb h GLU 218 Cb 0.07 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 2bhb h GLU 218 CO -0.03 0.67 -0.16 0.74 -1.18 0.00 0.00 179.01 179.05 2bhb h PHE 219 N 0.53 -0.39 -0.78 0.92 0.04 -1.00 -2.90 116.94 113.36 2bhb h PHE 219 Ca 0.13 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 2bhb h PHE 219 Cb 0.30 0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 2bhb h PHE 219 CO 0.02 -0.23 0.34 -0.97 -0.60 0.00 0.00 178.31 176.87 2bhb h ASN 220 N -0.11 1.03 0.67 2.17 -0.73 -0.93 -0.73 115.58 116.95 2bhb h ASN 220 Ca 0.17 -0.14 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 2bhb h ASN 220 Cb 0.36 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 2bhb h ASN 220 CO -0.40 0.89 -0.21 0.08 -0.37 0.00 0.00 177.43 177.43 2bhb h ARG 221 N 1.12 0.00 -0.33 6.67 0.11 -0.96 -1.20 114.38 119.78 2bhb h ARG 221 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2bhb h ARG 221 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2bhb h ARG 221 CO -0.03 0.21 0.00 0.72 0.10 0.00 0.00 179.97 180.97 2bhb n HIS 222 N -3.53 0.43 -0.44 4.08 8.25 -1.07 -4.93 115.22 118.01 2bhb n HIS 222 Ca -0.01 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2bhb n HIS 222 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2bhb n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bhb n GLY 223 N 1.19 0.76 3.27 -1.41 0.00 -0.45 -5.02 105.19 103.52 2bhb n GLY 223 Ca 0.15 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 2bhb n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhb s ALA 224 N -2.00 3.96 0.28 4.61 0.00 -0.30 -4.85 121.76 123.45 2bhb s ALA 224 Ca 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 51.96 48.60 2bhb s ALA 224 Cb 0.00 -3.29 0.37 0.00 0.00 0.00 0.00 23.12 20.20 2bhb s ALA 224 CO 0.00 -2.24 1.92 0.00 0.00 0.00 0.00 175.76 175.44 2bhb h ARG 225 N 7.54 1.11 -6.84 0.00 3.08 -1.79 -2.76 114.38 114.72 2bhb h ARG 225 Ca 0.08 -0.10 -0.69 0.00 0.07 0.00 0.00 59.98 59.34 2bhb h ARG 225 Cb 1.01 -0.23 -0.22 0.00 0.08 0.00 0.00 29.97 30.61 2bhb h ARG 225 CO 0.74 0.79 -0.86 0.71 -1.07 0.00 0.00 179.97 180.28 2bhb s TYR 226 N -5.81 2.36 0.70 3.04 2.02 -1.26 -4.75 117.35 113.64 2bhb s TYR 226 Ca -0.12 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 2bhb s TYR 226 Cb 0.17 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 2bhb s TYR 226 CO 0.81 0.31 1.09 -2.14 -1.57 0.00 0.00 175.55 174.05 2bhb s PRO 227 N -1.93 2.64 0.23 -1.71 0.02 -1.26 -0.96 135.00 132.03 2bhb s PRO 227 Ca 0.14 1.25 0.26 0.00 0.02 0.00 0.00 61.00 62.67 2bhb s PRO 227 Cb -0.10 -1.94 0.75 0.00 0.02 0.00 0.00 34.50 33.23 2bhb s PRO 227 CO 0.06 -1.35 1.75 0.66 -0.33 0.00 0.00 177.00 177.79 2bhb h SER 228 N -0.46 0.00 -4.98 2.53 4.64 -1.33 -3.40 113.55 110.55 2bhb h SER 228 Ca -0.45 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 60.92 2bhb h SER 228 Cb 1.23 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 2bhb h SER 228 CO 0.54 0.00 0.31 -0.72 -0.87 0.00 0.00 176.83 176.09 2bhb s TYR 229 N -3.11 -0.35 -0.03 4.77 1.13 -1.26 -4.69 117.35 113.80 2bhb s TYR 229 Ca 0.10 0.08 -0.30 0.00 -1.41 0.00 0.00 57.07 55.54 2bhb s TYR 229 Cb 0.12 0.61 -0.06 0.00 -1.10 0.00 0.00 41.96 41.52 2bhb s TYR 229 CO 0.61 -0.88 1.64 -0.80 -2.51 0.00 0.00 175.55 173.60 2bhb s ASN 230 N -2.77 6.67 0.32 -0.18 0.01 -1.26 -4.76 114.94 112.97 2bhb s ASN 230 Ca 0.06 2.28 -0.29 0.00 -0.71 0.00 0.00 52.86 54.19 2bhb s ASN 230 Cb -0.02 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 38.98 2bhb s ASN 230 CO -0.05 -0.90 1.58 -0.89 -1.51 0.00 0.00 177.10 175.33 2bhb s THR 231 N 3.67 2.00 -0.24 1.60 2.01 -1.26 -4.95 115.64 118.47 2bhb s THR 231 Ca 0.73 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.68 2bhb s THR 231 Cb -0.34 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 2bhb s THR 231 CO 0.30 0.00 0.02 -0.63 -0.69 0.00 0.00 174.62 173.62 2bhb s ILE 232 N -0.28 3.82 -0.53 1.82 1.01 -0.06 -4.61 121.20 122.36 2bhb s ILE 232 Ca 0.61 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.90 2bhb s ILE 232 Cb -0.48 -2.79 0.15 0.00 0.01 0.00 0.00 42.46 39.35 2bhb s ILE 232 CO 0.52 0.34 0.33 -0.69 0.00 0.00 0.00 174.94 175.44 2bhb s VAL 233 N 1.53 1.99 -0.55 2.92 1.01 -1.25 -1.07 120.40 124.98 2bhb s VAL 233 Ca 0.06 -3.23 -0.16 0.00 0.00 0.00 0.00 61.98 58.65 2bhb s VAL 233 Cb -0.15 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 34.01 2bhb s VAL 233 CO 0.00 -0.94 0.50 -0.83 0.00 0.00 0.00 175.10 173.84 2bhb s GLY 234 N -0.34 2.11 0.16 4.51 0.00 0.05 -4.57 107.32 109.25 2bhb s GLY 234 Ca 0.21 -2.57 -0.13 0.00 0.00 0.00 0.00 44.72 42.23 2bhb s GLY 234 CO -0.07 1.20 0.55 -1.35 0.00 0.00 0.00 173.10 173.43 2bhb s SER 235 N 3.51 6.78 1.80 1.64 1.04 -1.26 -1.42 113.70 125.80 2bhb s SER 235 Ca 0.04 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2bhb s SER 235 Cb -0.29 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2bhb s SER 235 CO 0.02 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2bhb n GLY 236 N 0.64 3.50 0.28 7.32 0.00 0.14 -2.17 105.19 114.90 2bhb n GLY 236 Ca -0.04 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.02 2bhb n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bhb h GLU 237 N 0.00 0.00 0.00 1.61 5.08 -1.91 -2.03 114.58 117.33 2bhb h GLU 237 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bhb h GLU 237 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bhb h GLU 237 CO 0.00 0.07 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.11 2bhb h ASN 238 N 0.00 0.00 0.33 1.42 2.35 -1.72 -1.87 115.58 116.09 2bhb h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bhb h ASN 238 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2bhb h ASN 238 CO 0.01 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 2bhb n GLY 239 N -1.02 -1.06 0.07 2.83 0.00 -0.76 -1.94 105.19 103.30 2bhb n GLY 239 Ca -0.02 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2bhb n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhb s ILE 241 N -2.66 5.29 0.14 0.00 1.01 -0.82 -5.00 121.20 119.17 2bhb s ILE 241 Ca 0.23 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.86 2bhb s ILE 241 Cb 0.19 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 39.09 2bhb s ILE 241 CO 0.52 0.18 1.71 -0.07 0.00 0.00 0.00 174.94 177.28 2bhb h LEU 242 N 8.43 0.58 -4.77 2.97 3.38 -1.85 -2.98 115.31 121.06 2bhb h LEU 242 Ca -0.34 -0.14 -0.65 0.00 0.09 0.00 0.00 57.88 56.84 2bhb h LEU 242 Cb 1.18 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 41.41 2bhb h LEU 242 CO 0.58 0.56 -0.12 1.41 0.09 0.00 0.00 178.44 180.96 2bhb n HIS 243 N -4.65 3.31 -1.98 1.13 8.25 -1.26 -5.01 115.22 115.01 2bhb n HIS 243 Ca 0.01 -2.92 -0.43 0.00 -0.26 0.00 0.00 57.72 54.12 2bhb n HIS 243 Cb 0.12 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 2bhb n HIS 243 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2bhb s TYR 244 N -3.73 1.78 -0.10 4.41 5.04 -1.13 -4.82 117.35 118.81 2bhb s TYR 244 Ca 0.49 0.61 0.01 0.00 -2.44 0.00 0.00 57.07 55.74 2bhb s TYR 244 Cb 0.40 -4.12 0.02 0.00 0.35 0.00 0.00 41.96 38.60 2bhb s TYR 244 CO -0.25 -3.01 0.78 0.25 -1.34 0.00 0.00 175.55 171.98 2bhb n THR 245 N 7.43 0.51 -0.11 4.34 -2.24 -1.26 -3.80 114.28 119.15 2bhb n THR 245 Ca 0.23 -0.76 -0.06 0.00 -2.27 0.00 0.00 64.05 61.19 2bhb n THR 245 Cb 0.47 0.75 0.11 0.00 -2.10 0.00 0.00 70.33 69.56 2bhb n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bhb h GLU 246 N 0.18 0.81 -6.96 -0.78 3.07 -1.89 -3.47 114.58 105.54 2bhb h GLU 246 Ca 0.00 -0.27 -0.59 0.00 -0.50 0.00 0.00 59.36 58.00 2bhb h GLU 246 Cb 0.29 -0.07 -0.26 0.00 -0.84 0.00 0.00 28.75 27.87 2bhb h GLU 246 CO 0.00 0.89 -0.89 0.09 -1.40 0.00 0.00 179.01 177.69 2bhb n ASN 247 N -4.16 -1.58 -0.38 1.42 3.02 -1.26 -4.83 115.26 107.49 2bhb n ASN 247 Ca 0.01 -1.15 0.06 0.00 -0.03 0.00 0.00 54.58 53.47 2bhb n ASN 247 Cb 0.37 -2.13 0.02 0.00 -0.61 0.00 0.00 39.78 37.43 2bhb n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bhb n GLU 248 N -4.31 1.46 -3.79 3.52 0.28 -1.26 -1.31 120.64 115.22 2bhb n GLU 248 Ca -0.03 -0.92 -0.33 0.00 -0.16 0.00 0.00 57.16 55.71 2bhb n GLU 248 Cb 0.54 -1.19 -0.05 0.00 1.43 0.00 0.00 31.44 32.17 2bhb n GLU 248 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bhb s GLU 250 N -2.06 4.17 -0.01 0.00 2.12 -1.26 -0.86 118.70 120.79 2bhb s GLU 250 Ca 0.31 2.47 -0.30 0.00 0.36 0.00 0.00 54.97 57.82 2bhb s GLU 250 Cb -0.13 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2bhb s GLU 250 CO 0.20 -0.72 0.97 -1.64 -0.54 0.00 0.00 175.26 173.54 2bhb s MET 251 N 1.70 4.54 -0.14 4.30 -1.94 0.12 -4.89 119.30 122.99 2bhb s MET 251 Ca 0.74 1.40 -0.04 0.00 -1.71 0.00 0.00 55.69 56.09 2bhb s MET 251 Cb -0.45 -3.47 -0.03 0.00 2.01 0.00 0.00 34.83 32.89 2bhb s MET 251 CO 0.33 -0.07 -0.02 1.03 -0.01 0.00 0.00 175.02 176.28 2bhb s ARG 252 N 1.10 3.51 0.15 2.03 1.81 -1.26 -0.64 118.95 125.65 2bhb s ARG 252 Ca 0.51 -0.47 -0.34 0.00 -1.72 0.00 0.00 55.73 53.71 2bhb s ARG 252 Cb -0.21 -2.91 -0.16 0.00 -0.45 0.00 0.00 34.95 31.23 2bhb s ARG 252 CO 0.27 0.38 1.25 -3.47 -0.68 0.00 0.00 175.30 173.05 2bhb n ASP 253 N 3.13 1.61 0.00 0.23 -0.08 -1.26 -1.88 116.55 118.31 2bhb n ASP 253 Ca -0.18 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.24 2bhb n ASP 253 Cb 0.53 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.75 2bhb n ASP 253 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bhb n GLY 254 N 2.23 3.14 3.91 0.27 0.00 -1.26 -5.02 105.19 108.46 2bhb n GLY 254 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2bhb n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bhb s ASP 255 N -0.38 6.36 0.38 1.61 1.01 -0.79 -4.98 116.67 119.88 2bhb s ASP 255 Ca 0.00 0.75 -0.03 0.00 0.71 0.00 0.00 52.55 53.98 2bhb s ASP 255 Cb 0.00 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 2bhb s ASP 255 CO 0.00 -0.35 0.63 -0.76 0.21 0.00 0.00 175.17 174.90 2bhb s LEU 256 N -4.13 3.90 -0.07 1.23 1.43 -1.26 -1.66 118.68 118.12 2bhb s LEU 256 Ca 0.45 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2bhb s LEU 256 Cb -0.10 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2bhb s LEU 256 CO 0.36 -0.36 -0.14 0.54 0.23 0.00 0.00 176.35 176.97 2bhb s VAL 257 N -2.39 1.30 -0.27 -1.59 0.11 0.56 -0.68 120.40 117.43 2bhb s VAL 257 Ca 0.44 -0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 58.82 2bhb s VAL 257 Cb -0.10 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2bhb s VAL 257 CO 0.37 0.39 0.12 -0.22 -3.33 0.00 0.00 175.10 172.43 2bhb s LEU 258 N 0.53 3.76 -0.25 2.54 0.20 -0.51 -1.11 118.68 123.85 2bhb s LEU 258 Ca -0.14 -0.26 -0.02 0.00 0.69 0.00 0.00 54.13 54.40 2bhb s LEU 258 Cb -0.15 -1.99 0.02 0.00 -0.43 0.00 0.00 46.19 43.64 2bhb s LEU 258 CO 0.04 -0.09 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.34 2bhb s ILE 259 N 1.64 3.03 -0.32 6.68 1.01 0.25 -0.77 121.20 132.72 2bhb s ILE 259 Ca 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 2bhb s ILE 259 Cb -0.16 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.85 2bhb s ILE 259 CO 0.06 0.24 0.05 -0.62 0.00 0.00 0.00 174.94 174.67 2bhb s ASP 260 N 1.37 5.11 -0.10 3.58 -1.08 -0.23 -1.29 116.67 124.03 2bhb s ASP 260 Ca 0.02 -1.21 -0.19 0.00 -0.52 0.00 0.00 52.55 50.64 2bhb s ASP 260 Cb -0.16 -1.79 0.04 0.00 -1.46 0.00 0.00 42.92 39.55 2bhb s ASP 260 CO -0.04 -0.30 0.46 0.00 0.52 0.00 0.00 175.17 175.81 2bhb s ALA 261 N 1.33 -1.16 -0.21 3.66 0.00 -0.30 -0.89 121.76 124.19 2bhb s ALA 261 Ca -0.03 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 2bhb s ALA 261 Cb -0.20 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.65 2bhb s ALA 261 CO 0.01 -0.27 0.55 0.20 0.00 0.00 0.00 175.76 176.25 2bhb s GLY 262 N -0.59 -0.41 0.53 0.00 0.00 -1.26 -2.04 107.32 103.56 2bhb s GLY 262 Ca -0.07 1.55 -0.04 0.00 0.00 0.00 0.00 44.72 46.16 2bhb s GLY 262 CO 0.04 1.34 0.82 0.00 0.00 0.00 0.00 173.10 175.30 2bhb s GLU 264 N -4.83 2.79 -0.19 0.00 2.12 -0.13 -0.96 118.70 117.49 2bhb s GLU 264 Ca 0.51 -1.03 0.01 0.00 0.36 0.00 0.00 54.97 54.82 2bhb s GLU 264 Cb -0.10 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.18 2bhb s GLU 264 CO 0.44 -0.47 -0.14 -0.47 -0.54 0.00 0.00 175.26 174.07 2bhb s TYR 265 N 1.35 2.53 -1.37 5.30 5.04 -0.10 -4.35 117.35 125.74 2bhb s TYR 265 Ca -0.01 -1.58 -0.11 0.00 -2.44 0.00 0.00 57.07 52.93 2bhb s TYR 265 Cb -0.18 -1.73 0.09 0.00 0.35 0.00 0.00 41.96 40.49 2bhb s TYR 265 CO -0.02 -0.75 0.58 1.63 -1.34 0.00 0.00 175.55 175.65 2bhb n LYS 266 N 4.67 -3.53 0.00 4.97 4.76 -1.26 -1.23 118.16 126.54 2bhb n LYS 266 Ca -0.17 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 2bhb n LYS 266 Cb 0.48 -5.19 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 2bhb n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bhb n GLY 267 N -1.25 2.46 3.89 0.72 0.00 -1.26 -4.99 105.19 104.76 2bhb n GLY 267 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2bhb n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bhb s TYR 268 N -2.31 3.59 -0.11 1.61 1.51 -0.36 -4.40 117.35 116.87 2bhb s TYR 268 Ca 0.00 0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 56.38 2bhb s TYR 268 Cb 0.00 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 2bhb s TYR 268 CO 0.00 0.70 0.41 0.00 -1.11 0.00 0.00 175.55 175.55 2bhb s ALA 269 N -1.14 3.55 0.45 3.71 0.00 0.03 -0.92 121.76 127.44 2bhb s ALA 269 Ca 0.20 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 2bhb s ALA 269 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2bhb s ALA 269 CO 0.09 0.11 0.76 0.20 0.00 0.00 0.00 175.76 176.93 2bhb s GLY 270 N 0.30 1.59 -0.37 0.00 0.00 -0.13 -4.69 107.32 104.02 2bhb s GLY 270 Ca 0.22 -0.47 0.05 0.00 0.00 0.00 0.00 44.72 44.53 2bhb s GLY 270 CO 0.09 -0.30 0.66 -0.35 0.00 0.00 0.00 173.10 173.20 2bhb s ASP 271 N -3.89 -1.44 0.03 1.64 2.15 -1.26 -3.87 116.67 110.03 2bhb s ASP 271 Ca 0.48 -0.43 0.09 0.00 0.43 0.00 0.00 52.55 53.12 2bhb s ASP 271 Cb -0.10 1.85 -0.03 0.00 -0.30 0.00 0.00 42.92 44.34 2bhb s ASP 271 CO 0.41 -0.19 -0.25 -0.63 -0.17 0.00 0.00 175.17 174.34 2bhb s ILE 272 N 2.18 2.04 -0.09 4.11 1.01 -0.86 -4.43 121.20 125.15 2bhb s ILE 272 Ca 0.15 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 59.53 2bhb s ILE 272 Cb -0.05 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2bhb s ILE 272 CO -0.14 0.39 -0.21 -0.89 0.00 0.00 0.00 174.94 174.09 2bhb s THR 273 N -0.76 1.81 -0.03 2.92 2.01 -1.15 -1.15 115.64 119.29 2bhb s THR 273 Ca 0.11 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.27 2bhb s THR 273 Cb -0.10 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 2bhb s THR 273 CO 0.01 0.51 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.18 2bhb s ARG 274 N 0.45 1.45 -0.08 4.92 1.81 -0.41 -1.27 118.95 125.82 2bhb s ARG 274 Ca -0.17 -0.50 0.02 0.00 -1.72 0.00 0.00 55.73 53.36 2bhb s ARG 274 Cb -0.17 -1.30 -0.02 0.00 -0.45 0.00 0.00 34.95 33.01 2bhb s ARG 274 CO 0.07 0.21 -0.13 0.99 -0.68 0.00 0.00 175.30 175.76 2bhb s THR 275 N 0.06 3.11 0.12 0.02 2.01 -1.22 -0.58 115.64 119.15 2bhb s THR 275 Ca -0.03 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 2bhb s THR 275 Cb -0.10 -2.26 0.05 0.00 0.01 0.00 0.00 72.50 70.20 2bhb s THR 275 CO 0.01 0.56 0.49 0.72 -0.69 0.00 0.00 174.62 175.71 2bhb s PHE 276 N -0.30 -0.35 0.11 4.92 -0.71 -0.27 -4.96 117.98 116.42 2bhb s PHE 276 Ca 0.03 0.14 -0.31 0.00 -1.04 0.00 0.00 56.93 55.75 2bhb s PHE 276 Cb -0.13 0.37 -0.07 0.00 -1.21 0.00 0.00 43.02 41.98 2bhb s PHE 276 CO 0.03 -0.73 1.31 -1.25 -1.34 0.00 0.00 175.22 173.23 2bhb s PRO 277 N -3.49 4.37 0.34 1.99 0.04 -1.26 -0.32 135.00 136.67 2bhb s PRO 277 Ca 0.01 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.08 2bhb s PRO 277 Cb 0.00 -3.28 0.76 0.00 0.04 0.00 0.00 34.50 32.03 2bhb s PRO 277 CO -0.10 -0.34 1.86 0.28 0.04 0.00 0.00 177.00 178.74 2bhb h VAL 278 N 4.27 0.85 -0.32 -0.36 2.07 -1.62 -1.46 116.25 119.67 2bhb h VAL 278 Ca -0.42 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2bhb h VAL 278 Cb 1.21 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2bhb h VAL 278 CO 0.83 0.14 0.00 -0.46 0.02 0.00 0.00 177.57 178.10 2bhb n ASN 279 N -4.58 2.38 0.00 0.57 0.23 -1.26 -4.10 115.26 108.50 2bhb n ASN 279 Ca 0.18 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 2bhb n ASN 279 Cb 0.45 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 2bhb n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bhb n GLY 280 N 1.26 0.87 2.72 4.83 0.00 -0.55 -5.01 105.19 109.31 2bhb n GLY 280 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2bhb n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bhb s LYS 281 N -0.21 0.44 0.31 1.61 2.47 -1.26 -4.52 119.74 118.58 2bhb s LYS 281 Ca 0.00 -0.05 -0.29 0.00 -1.56 0.00 0.00 55.97 54.07 2bhb s LYS 281 Cb 0.00 -1.41 -0.10 0.00 -1.46 0.00 0.00 37.83 34.86 2bhb s LYS 281 CO 0.00 -0.47 1.39 -0.06 0.16 0.00 0.00 175.35 176.37 2bhb s PHE 282 N 1.99 2.96 0.81 4.03 0.08 -1.26 -4.86 117.98 121.73 2bhb s PHE 282 Ca 0.03 1.22 -0.12 0.00 0.12 0.00 0.00 56.93 58.18 2bhb s PHE 282 Cb -0.14 -3.79 0.08 0.00 -0.57 0.00 0.00 43.02 38.59 2bhb s PHE 282 CO -0.06 -2.36 1.14 0.95 -0.10 0.00 0.00 175.22 174.78 2bhb s THR 283 N -0.70 2.51 0.14 0.64 -4.23 -1.26 -4.85 115.64 107.89 2bhb s THR 283 Ca 0.54 0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 61.02 2bhb s THR 283 Cb -0.42 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 2bhb s THR 283 CO 0.51 -0.22 1.70 -0.61 -0.54 0.00 0.00 174.62 175.46 2bhb h GLN 284 N -1.07 0.02 -0.81 3.99 4.15 -1.99 -0.04 115.11 119.37 2bhb h GLN 284 Ca -0.47 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2bhb h GLN 284 Cb 1.30 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.95 2bhb h GLN 284 CO 0.64 0.01 0.51 0.00 -1.93 0.00 0.00 178.83 178.06 2bhb h ALA 285 N 1.23 1.03 -0.37 3.38 0.00 -1.94 -0.70 119.26 121.90 2bhb h ALA 285 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bhb h ALA 285 Cb 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2bhb h ALA 285 CO -0.23 0.47 0.14 1.96 0.00 0.00 0.00 179.25 181.59 2bhb h GLN 286 N 1.10 0.56 -0.92 0.00 4.20 -1.83 -2.97 115.11 115.24 2bhb h GLN 286 Ca 0.29 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.93 2bhb h GLN 286 Cb -0.08 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 2bhb h GLN 286 CO -0.06 0.54 0.60 0.00 -0.67 0.00 0.00 178.83 179.24 2bhb h ARG 287 N 0.45 1.13 -0.99 1.46 2.47 -0.56 -0.15 114.38 118.18 2bhb h ARG 287 Ca 0.12 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2bhb h ARG 287 Cb 0.19 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 28.21 2bhb h ARG 287 CO -0.01 0.74 0.65 0.93 0.56 0.00 0.00 179.97 182.85 2bhb h GLU 288 N 1.16 1.31 0.09 0.04 5.08 -1.01 0.39 114.58 121.64 2bhb h GLU 288 Ca 0.37 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.49 2bhb h GLU 288 Cb 0.00 -0.29 0.02 0.00 0.50 0.00 0.00 28.75 28.98 2bhb h GLU 288 CO -0.12 0.87 -0.67 0.82 -1.00 0.00 0.00 179.01 178.91 2bhb h ILE 289 N 1.35 1.51 -0.80 3.13 1.08 -1.36 -3.32 117.51 119.09 2bhb h ILE 289 Ca 0.36 -2.37 0.08 0.00 -0.39 0.00 0.00 64.86 62.55 2bhb h ILE 289 Cb -0.15 3.03 -0.07 0.00 -3.07 0.00 0.00 36.82 36.56 2bhb h ILE 289 CO -0.08 0.67 0.46 0.22 -0.69 0.00 0.00 178.15 178.74 2bhb h TYR 290 N -0.35 0.84 -0.38 1.37 3.20 -0.80 -2.42 116.97 118.44 2bhb h TYR 290 Ca -0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 2bhb h TYR 290 Cb 1.48 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 2bhb h TYR 290 CO 0.19 0.37 0.07 -0.44 -1.64 0.00 0.00 178.16 176.70 2bhb h ASP 291 N 0.80 0.53 -0.14 -2.11 3.32 -1.05 0.11 116.42 117.88 2bhb h ASP 291 Ca 0.38 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2bhb h ASP 291 Cb 0.31 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2bhb h ASP 291 CO -0.23 0.55 0.02 0.40 -1.72 0.00 0.00 179.24 178.26 2bhb h ILE 292 N 0.56 1.23 -0.69 0.35 2.04 -1.54 -0.26 117.51 119.19 2bhb h ILE 292 Ca 0.13 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 2bhb h ILE 292 Cb 0.26 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2bhb h ILE 292 CO 0.00 0.22 0.32 0.58 0.00 0.00 0.00 178.15 179.27 2bhb h VAL 293 N 0.00 1.23 -0.35 1.67 2.07 -1.15 -1.48 116.25 118.25 2bhb h VAL 293 Ca 0.04 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2bhb h VAL 293 Cb 0.32 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2bhb h VAL 293 CO 0.00 0.28 -0.07 0.25 0.02 0.00 0.00 177.57 178.05 2bhb h LEU 294 N 0.97 0.66 -1.03 2.57 5.85 -0.73 -1.21 115.31 122.40 2bhb h LEU 294 Ca 0.24 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2bhb h LEU 294 Cb 0.15 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2bhb h LEU 294 CO -0.03 0.87 0.65 -0.08 -0.34 0.00 0.00 178.44 179.51 2bhb h GLU 295 N 0.45 1.26 -0.15 1.25 4.81 -0.95 0.16 114.58 121.40 2bhb h GLU 295 Ca 0.09 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2bhb h GLU 295 Cb 0.57 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2bhb h GLU 295 CO 0.03 0.83 0.04 0.77 -0.73 0.00 0.00 179.01 179.96 2bhb h SER 296 N 1.29 0.04 -0.08 1.04 0.02 -1.02 0.82 113.55 115.66 2bhb h SER 296 Ca 0.38 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2bhb h SER 296 Cb -0.06 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2bhb h SER 296 CO -0.10 0.05 0.03 0.25 -1.14 0.00 0.00 176.83 175.91 2bhb h LEU 297 N 0.11 0.11 -0.73 5.07 5.85 -0.82 -1.83 115.31 123.06 2bhb h LEU 297 Ca 0.06 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2bhb h LEU 297 Cb 0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2bhb h LEU 297 CO -0.07 0.24 0.11 -0.33 -0.34 0.00 0.00 178.44 178.05 2bhb h GLU 298 N -0.03 1.08 -0.61 1.25 5.08 -0.58 -0.28 114.58 120.48 2bhb h GLU 298 Ca 0.03 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2bhb h GLU 298 Cb 0.17 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2bhb h GLU 298 CO -0.00 0.98 0.13 1.15 -1.00 0.00 0.00 179.01 180.27 2bhb h THR 299 N 1.01 1.26 -0.67 1.13 2.02 -0.85 -2.54 112.91 114.26 2bhb h THR 299 Ca 0.20 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 2bhb h THR 299 Cb 0.43 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2bhb h THR 299 CO 0.01 0.35 0.24 0.28 0.37 0.00 0.00 175.52 176.78 2bhb h SER 300 N 0.90 0.95 0.00 4.18 0.02 -0.88 -1.49 113.55 117.23 2bhb h SER 300 Ca 0.19 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2bhb h SER 300 Cb 0.38 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2bhb h SER 300 CO 0.01 0.88 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.42 2bhb h LEU 301 N 0.96 0.19 -0.20 5.07 3.38 -0.95 -0.68 115.31 123.09 2bhb h LEU 301 Ca 0.22 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 2bhb h LEU 301 Cb 0.25 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2bhb h LEU 301 CO -0.01 0.31 -0.68 0.03 0.09 0.00 0.00 178.44 178.18 2bhb h ARG 302 N 0.20 0.80 0.06 1.13 3.08 -1.12 -3.36 114.38 115.18 2bhb h ARG 302 Ca 0.04 -0.60 -0.24 0.00 0.07 0.00 0.00 59.98 59.25 2bhb h ARG 302 Cb 0.28 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2bhb h ARG 302 CO 0.01 1.22 -1.09 -0.07 -1.07 0.00 0.00 179.97 178.98 2bhb h LEU 303 N 0.55 0.29 -9.41 3.04 3.38 -0.71 -3.46 115.31 108.99 2bhb h LEU 303 Ca -0.03 -0.29 -0.54 0.00 0.09 0.00 0.00 57.88 57.12 2bhb h LEU 303 Cb 1.30 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2bhb h LEU 303 CO 0.14 1.19 0.94 -0.31 0.09 0.00 0.00 178.44 180.49 2bhb s TYR 304 N -2.82 2.58 0.02 1.13 2.02 -0.31 -4.92 117.35 115.04 2bhb s TYR 304 Ca -0.03 0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 56.90 2bhb s TYR 304 Cb 0.09 -3.85 0.10 0.00 -0.40 0.00 0.00 41.96 37.90 2bhb s TYR 304 CO 0.86 -3.31 1.07 -0.98 -1.57 0.00 0.00 175.55 171.61 2bhb s ARG 305 N 2.58 0.76 0.27 -0.62 1.70 -1.26 -3.61 118.95 118.77 2bhb s ARG 305 Ca 0.70 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 55.28 2bhb s ARG 305 Cb -0.36 0.29 -0.12 0.00 -0.57 0.00 0.00 34.95 34.18 2bhb s ARG 305 CO 0.30 -0.34 1.50 -2.30 -1.08 0.00 0.00 175.30 173.38 2bhb n PRO 306 N -0.37 2.38 0.00 3.89 -0.02 -1.26 -3.15 135.00 136.47 2bhb n PRO 306 Ca -0.06 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2bhb n PRO 306 Cb 0.61 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2bhb n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhb n GLY 307 N 2.10 2.97 1.35 -1.23 0.00 -0.54 -4.96 105.19 104.87 2bhb n GLY 307 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2bhb n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bhb n THR 308 N -1.18 0.00 -4.07 2.61 5.66 -1.19 -4.76 114.28 111.35 2bhb n THR 308 Ca 0.00 -0.59 -0.10 0.00 -3.05 0.00 0.00 64.05 60.31 2bhb n THR 308 Cb 0.00 -1.08 -0.08 0.00 -1.55 0.00 0.00 70.33 67.62 2bhb n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bhb s SER 309 N -2.35 0.15 0.24 1.09 1.04 -1.26 -0.62 113.70 111.99 2bhb s SER 309 Ca 0.22 -1.09 -0.07 0.00 0.48 0.00 0.00 55.95 55.49 2bhb s SER 309 Cb -0.01 0.39 0.25 0.00 0.10 0.00 0.00 66.02 66.74 2bhb s SER 309 CO 0.15 -0.84 1.90 0.40 0.98 0.00 0.00 173.24 175.83 2bhb h ILE 310 N 2.66 1.20 -0.43 -1.02 2.04 -1.76 -2.28 117.51 117.92 2bhb h ILE 310 Ca -0.33 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.14 2bhb h ILE 310 Cb 1.22 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2bhb h ILE 310 CO 0.52 0.22 0.25 0.25 0.00 0.00 0.00 178.15 179.39 2bhb h LEU 311 N 1.21 0.39 -0.40 1.44 5.85 -1.51 0.31 115.31 122.59 2bhb h LEU 311 Ca 0.35 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.99 2bhb h LEU 311 Cb -0.09 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2bhb h LEU 311 CO -0.09 0.28 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.13 2bhb h GLU 312 N 0.50 0.77 -0.26 1.25 4.81 -1.79 -2.20 114.58 117.66 2bhb h GLU 312 Ca 0.18 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 2bhb h GLU 312 Cb 0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2bhb h GLU 312 CO -0.09 0.89 -0.42 0.28 -0.73 0.00 0.00 179.01 178.94 2bhb h VAL 313 N 0.58 1.30 -0.64 0.32 2.07 -1.33 -2.93 116.25 115.63 2bhb h VAL 313 Ca 0.10 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 66.07 2bhb h VAL 313 Cb 0.60 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2bhb h VAL 313 CO 0.04 0.51 0.42 0.74 0.02 0.00 0.00 177.57 179.30 2bhb h THR 314 N 0.51 1.04 -0.63 2.57 2.02 -0.75 -2.05 112.91 115.62 2bhb h THR 314 Ca 0.04 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 2bhb h THR 314 Cb 0.95 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2bhb h THR 314 CO 0.09 0.13 0.17 1.23 0.37 0.00 0.00 175.52 177.50 2bhb h GLY 315 N 0.69 1.06 1.17 2.16 0.00 -1.21 -1.01 103.07 105.93 2bhb h GLY 315 Ca 0.27 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2bhb h GLY 315 CO -0.08 0.59 0.03 0.83 0.00 0.00 0.00 176.54 177.91 2bhb h GLU 316 N 0.94 1.01 -0.33 4.80 4.39 -1.38 -2.49 114.58 121.52 2bhb h GLU 316 Ca 0.20 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 2bhb h GLU 316 Cb 0.32 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2bhb h GLU 316 CO -0.00 0.97 0.02 0.28 -1.16 0.00 0.00 179.01 179.11 2bhb h VAL 317 N 0.93 1.25 -0.70 3.13 2.07 -1.07 -1.62 116.25 120.24 2bhb h VAL 317 Ca 0.18 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.87 2bhb h VAL 317 Cb 0.49 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 2bhb h VAL 317 CO 0.02 0.30 0.36 0.58 0.02 0.00 0.00 177.57 178.85 2bhb h VAL 318 N 0.39 0.88 0.02 2.57 2.07 -1.15 0.92 116.25 121.94 2bhb h VAL 318 Ca 0.10 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2bhb h VAL 318 Cb 0.41 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2bhb h VAL 318 CO 0.01 0.11 -0.01 -0.09 0.02 0.00 0.00 177.57 177.62 2bhb h ARG 319 N 0.63 -0.03 -0.56 1.57 2.43 -1.20 0.39 114.38 117.61 2bhb h ARG 319 Ca 0.34 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.59 2bhb h ARG 319 Cb 0.32 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2bhb h ARG 319 CO -0.25 0.07 0.22 0.82 -1.51 0.00 0.00 179.97 179.33 2bhb h ILE 320 N -0.12 0.83 0.24 1.20 2.04 -0.92 -1.68 117.51 119.09 2bhb h ILE 320 Ca -0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2bhb h ILE 320 Cb 0.11 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2bhb h ILE 320 CO 0.01 0.08 -0.12 0.24 0.00 0.00 0.00 178.15 178.36 2bhb h MET 321 N 0.42 -0.31 -0.90 2.37 2.86 -0.58 -1.10 114.93 117.69 2bhb h MET 321 Ca 0.27 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.94 2bhb h MET 321 Cb 0.29 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 2bhb h MET 321 CO -0.26 -0.07 0.59 0.28 1.06 0.00 0.00 176.91 178.51 2bhb h VAL 322 N -0.52 1.24 -0.24 -2.22 2.07 -0.89 -0.88 116.25 114.81 2bhb h VAL 322 Ca -0.03 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2bhb h VAL 322 Cb 0.38 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2bhb h VAL 322 CO 0.05 0.23 0.10 0.28 0.02 0.00 0.00 177.57 178.25 2bhb h SER 323 N 1.23 0.33 -0.68 0.57 0.02 -1.25 -1.05 113.55 112.73 2bhb h SER 323 Ca 0.33 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2bhb h SER 323 Cb -0.13 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 2bhb h SER 323 CO -0.07 0.40 0.34 1.23 -1.14 0.00 0.00 176.83 177.59 2bhb h GLY 324 N 0.24 1.03 1.58 -3.77 0.00 -0.89 -2.08 103.07 99.18 2bhb h GLY 324 Ca 0.08 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 2bhb h GLY 324 CO -0.01 0.48 -0.49 1.41 0.00 0.00 0.00 176.54 177.93 2bhb h LEU 325 N 0.94 0.49 -0.47 3.11 3.38 -1.09 -2.52 115.31 119.15 2bhb h LEU 325 Ca 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2bhb h LEU 325 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2bhb h LEU 325 CO -0.03 0.90 0.18 0.58 0.09 0.00 0.00 178.44 180.16 2bhb h VAL 326 N 0.36 1.21 0.00 1.22 2.07 -1.06 -0.07 116.25 119.98 2bhb h VAL 326 Ca 0.02 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2bhb h VAL 326 Cb 0.99 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2bhb h VAL 326 CO 0.09 0.24 -0.10 0.11 0.02 0.00 0.00 177.57 177.94 2bhb h LYS 327 N 0.61 0.00 -0.00 1.57 1.57 -1.14 -1.76 116.57 117.41 2bhb h LYS 327 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2bhb h LYS 327 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2bhb h LYS 327 CO -0.01 0.10 -0.38 1.28 -0.57 0.00 0.00 179.45 179.86 2bhb n LEU 328 N -4.03 0.63 -0.01 2.94 4.77 -0.97 -4.95 117.00 115.38 2bhb n LEU 328 Ca -0.02 -0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2bhb n LEU 328 Cb 0.18 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2bhb n LEU 328 CO 0.32 0.14 -0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2bhb n GLY 329 N 1.44 0.46 0.14 -0.72 0.00 -0.66 -4.92 105.19 100.92 2bhb n GLY 329 Ca 0.08 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2bhb n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bhb h ILE 330 N 0.00 1.42 -3.18 -0.61 2.04 -1.26 -3.43 117.51 112.49 2bhb h ILE 330 Ca -0.00 -2.67 -0.64 0.00 1.00 0.00 0.00 64.86 62.55 2bhb h ILE 330 Cb 0.02 2.65 -0.14 0.00 -0.74 0.00 0.00 36.82 38.60 2bhb h ILE 330 CO 0.00 0.79 -0.72 -0.76 0.00 0.00 0.00 178.15 177.46 2bhb s LEU 331 N -7.53 3.01 -0.05 1.44 1.43 -0.95 -4.93 118.68 111.10 2bhb s LEU 331 Ca -0.05 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2bhb s LEU 331 Cb 0.08 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2bhb s LEU 331 CO 0.88 0.13 -0.11 -0.54 0.23 0.00 0.00 176.35 176.93 2bhb s LYS 332 N -2.64 1.47 0.00 1.70 1.02 -1.26 -4.20 119.74 115.82 2bhb s LYS 332 Ca 0.24 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2bhb s LYS 332 Cb -0.10 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 2bhb s LYS 332 CO 0.15 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 2bhb n GLY 333 N 3.70 0.78 3.71 -3.33 0.00 -1.26 -5.01 105.19 103.79 2bhb n GLY 333 Ca -0.22 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 2bhb n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bhb s ASP 334 N -4.00 7.31 0.13 1.61 2.15 -1.26 -4.96 116.67 117.65 2bhb s ASP 334 Ca 0.00 1.74 -0.19 0.00 0.43 0.00 0.00 52.55 54.53 2bhb s ASP 334 Cb 0.00 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.04 2bhb s ASP 334 CO 0.00 -0.30 1.71 0.58 -0.17 0.00 0.00 175.17 177.00 2bhb h VAL 335 N 4.70 0.82 -0.42 1.11 2.07 -1.96 0.70 116.25 123.26 2bhb h VAL 335 Ca -0.41 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2bhb h VAL 335 Cb 1.22 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2bhb h VAL 335 CO 0.76 0.01 -0.03 0.44 0.02 0.00 0.00 177.57 178.77 2bhb h ASP 336 N 0.05 0.66 -0.19 0.57 3.32 -1.99 0.11 116.42 118.95 2bhb h ASP 336 Ca 0.11 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 2bhb h ASP 336 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2bhb h ASP 336 CO -0.20 0.75 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.68 2bhb h GLU 337 N 0.64 0.38 -0.63 3.56 5.08 -1.89 -1.69 114.58 120.03 2bhb h GLU 337 Ca 0.13 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2bhb h GLU 337 Cb 0.44 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2bhb h GLU 337 CO 0.02 0.64 0.40 -0.07 -1.00 0.00 0.00 179.01 179.01 2bhb h LEU 338 N 0.09 0.67 -0.50 1.33 3.38 -0.55 0.32 115.31 120.05 2bhb h LEU 338 Ca 0.05 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2bhb h LEU 338 Cb 0.51 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2bhb h LEU 338 CO 0.02 0.47 0.22 0.40 0.09 0.00 0.00 178.44 179.65 2bhb h ILE 339 N 0.80 0.91 -0.20 1.22 2.04 -0.80 -0.51 117.51 120.96 2bhb h ILE 339 Ca 0.25 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 2bhb h ILE 339 Cb -0.02 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2bhb h ILE 339 CO -0.08 0.08 -0.06 0.00 0.00 0.00 0.00 178.15 178.08 2bhb h ALA 340 N 1.29 1.52 -0.06 1.87 0.00 -0.63 -1.83 119.26 121.42 2bhb h ALA 340 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bhb h ALA 340 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bhb h ALA 340 CO -0.19 0.34 0.00 1.04 0.00 0.00 0.00 179.25 180.44 2bhb n GLN 341 N -4.31 1.34 -3.90 0.00 6.02 0.04 -4.94 117.38 111.64 2bhb n GLN 341 Ca -0.00 -0.51 -0.25 0.00 -0.01 0.00 0.00 57.00 56.22 2bhb n GLN 341 Cb 0.24 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.12 2bhb n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bhb n ASN 342 N -0.29 -1.08 0.02 1.08 3.02 -0.69 -4.86 115.26 112.45 2bhb n ASN 342 Ca 0.16 -0.94 0.10 0.00 -0.03 0.00 0.00 54.58 53.87 2bhb n ASN 342 Cb 0.20 -3.37 0.42 0.00 -0.61 0.00 0.00 39.78 36.42 2bhb n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bhb n ALA 343 N -4.39 1.88 0.37 5.41 0.00 -0.28 -2.24 120.51 121.27 2bhb n ALA 343 Ca -0.25 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.28 2bhb n ALA 343 Cb 0.66 -1.33 0.49 0.00 0.00 0.00 0.00 19.45 19.27 2bhb n ALA 343 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2bhb h HIS 344 N 0.00 0.00 -0.02 0.00 2.07 -1.89 -3.39 115.15 111.92 2bhb h HIS 344 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2bhb h HIS 344 Cb 0.35 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.33 2bhb h HIS 344 CO 0.00 0.00 -0.26 0.00 -3.07 0.00 0.00 177.93 174.60 2bhb h ARG 345 N 0.00 0.03 0.00 5.12 3.08 -1.63 -0.23 114.38 120.75 2bhb h ARG 345 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2bhb h ARG 345 Cb 0.57 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2bhb h ARG 345 CO 0.00 0.29 -0.00 -1.35 -1.07 0.00 0.00 179.97 177.84 2bhb h PRO 346 N 0.03 0.00 0.00 0.04 0.11 -1.84 -3.31 132.00 127.03 2bhb h PRO 346 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2bhb h PRO 346 Cb 0.48 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 2bhb h PRO 346 CO 0.04 0.00 -1.64 1.19 -0.21 0.00 0.00 178.00 177.38 2bhb n PHE 347 N -3.12 0.00 -3.64 0.65 3.72 -0.35 -4.85 117.46 109.87 2bhb n PHE 347 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 2bhb n PHE 347 Cb 0.11 -0.44 -0.14 0.00 -0.94 0.00 0.00 39.48 38.08 2bhb n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bhb s PHE 348 N -2.35 1.33 -0.21 1.38 5.36 -0.25 -0.39 117.98 122.85 2bhb s PHE 348 Ca -0.05 -1.70 0.14 0.00 -0.96 0.00 0.00 56.93 54.36 2bhb s PHE 348 Cb 0.04 -1.46 0.30 0.00 -0.34 0.00 0.00 43.02 41.56 2bhb s PHE 348 CO 0.42 -0.84 1.20 0.00 -1.46 0.00 0.00 175.22 174.54 2bhb n MET 349 N 4.51 2.24 -4.44 10.12 0.00 -1.25 -4.27 117.12 124.04 2bhb n MET 349 Ca 0.02 -2.37 -0.22 0.00 0.00 0.00 0.00 57.70 55.13 2bhb n MET 349 Cb 0.40 -1.46 -0.09 0.00 0.00 0.00 0.00 33.22 32.06 2bhb n MET 349 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 2bhb s HIS 350 N -2.26 1.78 0.60 3.17 -3.43 -1.26 -5.13 115.29 108.75 2bhb s HIS 350 Ca 0.27 -1.17 -0.15 0.00 -0.80 0.00 0.00 55.06 53.21 2bhb s HIS 350 Cb 0.22 -1.12 -0.04 0.00 -1.43 0.00 0.00 32.58 30.21 2bhb s HIS 350 CO 0.05 -0.23 1.05 0.20 -2.00 0.00 0.00 174.74 173.81 2bhb s GLY 351 N -3.49 2.06 0.22 -1.38 0.00 -1.26 -4.98 107.32 98.49 2bhb s GLY 351 Ca 0.32 0.33 0.10 0.00 0.00 0.00 0.00 44.72 45.47 2bhb s GLY 351 CO 0.15 0.64 1.47 -2.00 0.00 0.00 0.00 173.10 173.37 2bhb h LEU 352 N 0.35 0.00 -7.30 0.66 5.85 -1.94 -3.46 115.31 109.47 2bhb h LEU 352 Ca -0.46 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 2bhb h LEU 352 Cb 1.21 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.99 2bhb h LEU 352 CO 0.58 0.75 -0.31 -0.44 -0.34 0.00 0.00 178.44 178.68 2bhb s SER 353 N -6.73 -0.42 0.15 1.25 0.01 -1.26 -0.31 113.70 106.39 2bhb s SER 353 Ca 0.00 0.78 0.08 0.00 1.31 0.00 0.00 55.95 58.12 2bhb s SER 353 Cb 0.11 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 2bhb s SER 353 CO 0.78 -0.16 -0.18 -1.38 0.41 0.00 0.00 173.24 172.72 2bhb s HIS 354 N 0.74 1.74 0.59 2.43 -3.43 -1.26 -4.91 115.29 111.20 2bhb s HIS 354 Ca -0.04 -0.48 -0.20 0.00 -0.80 0.00 0.00 55.06 53.53 2bhb s HIS 354 Cb -0.05 -0.88 -0.03 0.00 -1.43 0.00 0.00 32.58 30.18 2bhb s HIS 354 CO -0.05 0.29 1.30 0.91 -2.00 0.00 0.00 174.74 175.18 2bhb n TRP 355 N 0.40 2.03 -4.42 0.38 5.03 -1.26 -1.25 117.44 118.35 2bhb n TRP 355 Ca -0.14 0.43 -0.20 0.00 3.03 0.00 0.00 57.50 60.62 2bhb n TRP 355 Cb 0.57 -2.31 -0.15 0.00 -1.03 0.00 0.00 31.31 28.39 2bhb n TRP 355 CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 2bhb s LEU 356 N -3.66 1.92 0.00 -0.99 2.96 -0.41 -0.73 118.68 117.76 2bhb s LEU 356 Ca 0.76 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 2bhb s LEU 356 Cb -0.40 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 45.75 2bhb s LEU 356 CO 0.45 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 176.19 2bhb n GLY 357 N 3.03 0.24 0.25 7.98 0.00 -1.26 -4.61 105.19 110.81 2bhb n GLY 357 Ca -0.16 0.47 0.11 0.00 0.00 0.00 0.00 46.02 46.45 2bhb n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bhb h LEU 358 N 0.00 0.00 -8.85 0.99 3.38 -1.95 0.12 115.31 109.00 2bhb h LEU 358 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2bhb h LEU 358 Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 2bhb h LEU 358 CO 0.00 0.16 -0.83 -1.81 0.09 0.00 0.00 178.44 176.05 2bhb s ASP 359 N -6.23 3.60 0.13 -0.43 1.01 -1.26 -4.68 116.67 108.82 2bhb s ASP 359 Ca -0.02 -0.42 -0.18 0.00 0.71 0.00 0.00 52.55 52.64 2bhb s ASP 359 Cb 0.13 -0.55 -0.03 0.00 1.01 0.00 0.00 42.92 43.48 2bhb s ASP 359 CO 0.61 0.28 1.74 1.62 0.21 0.00 0.00 175.17 179.63 2bhb h VAL 360 N 4.16 1.13 -3.11 -1.27 3.04 -1.84 -3.01 116.25 115.36 2bhb h VAL 360 Ca -0.46 -0.33 -0.74 0.00 -1.01 0.00 0.00 66.70 64.16 2bhb h VAL 360 Cb 1.15 0.77 -0.22 0.00 -2.01 0.00 0.00 31.29 30.97 2bhb h VAL 360 CO 0.47 0.13 0.47 -1.00 -1.01 0.00 0.00 177.57 176.63 2bhb s HIS 361 N -5.90 3.44 0.63 3.17 3.76 -1.26 -4.31 115.29 114.83 2bhb s HIS 361 Ca -0.13 -1.69 -0.11 0.00 -0.15 0.00 0.00 55.06 52.98 2bhb s HIS 361 Cb 0.09 -4.05 -0.03 0.00 1.11 0.00 0.00 32.58 29.70 2bhb s HIS 361 CO 0.72 -1.24 1.04 0.34 -0.85 0.00 0.00 174.74 174.75 2bhb s ASP 362 N 2.90 6.09 0.88 1.40 2.15 0.09 -5.00 116.67 125.18 2bhb s ASP 362 Ca 0.25 1.36 -0.11 0.00 0.43 0.00 0.00 52.55 54.47 2bhb s ASP 362 Cb -0.07 -2.37 0.12 0.00 -0.30 0.00 0.00 42.92 40.30 2bhb s ASP 362 CO -0.09 -0.95 1.09 0.68 -0.17 0.00 0.00 175.17 175.73 2bhb s VAL 363 N -3.20 2.75 0.00 1.11 -7.23 -1.26 -4.61 120.40 107.96 2bhb s VAL 363 Ca 0.55 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 2bhb s VAL 363 Cb -0.11 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2bhb s VAL 363 CO 0.53 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2bhb n GLY 364 N -1.21 3.80 3.72 2.32 0.00 -1.26 -4.53 105.19 108.03 2bhb n GLY 364 Ca 0.07 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2bhb n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bhb s VAL 365 N -1.04 3.71 -0.20 1.61 1.01 -1.26 -4.94 120.40 119.29 2bhb s VAL 365 Ca 0.00 1.25 0.21 0.00 0.00 0.00 0.00 61.98 63.44 2bhb s VAL 365 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2bhb s VAL 365 CO 0.00 0.11 0.98 1.88 0.00 0.00 0.00 175.10 178.07 2bhb h TYR 366 N 6.59 0.00 -0.44 5.22 0.05 -1.98 -3.48 116.97 122.94 2bhb h TYR 366 Ca -0.42 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.40 2bhb h TYR 366 Cb 1.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 2bhb h TYR 366 CO 0.66 0.19 -0.15 0.41 -1.05 0.00 0.00 178.16 178.22 2bhb n GLY 367 N 1.25 -2.53 3.66 3.88 0.00 -1.26 -1.62 105.19 108.57 2bhb n GLY 367 Ca -0.03 -1.41 -0.49 0.00 0.00 0.00 0.00 46.02 44.09 2bhb n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bhb n GLN 368 N -2.42 1.90 -1.85 1.61 7.27 -1.26 -1.25 117.38 121.38 2bhb n GLN 368 Ca -0.01 0.69 -0.18 0.00 0.07 0.00 0.00 57.00 57.57 2bhb n GLN 368 Cb 0.09 -2.45 -0.05 0.00 2.41 0.00 0.00 30.24 30.23 2bhb n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2bhb n ASP 369 N 4.41 -4.94 -2.88 1.69 8.00 -1.26 -1.78 116.55 119.79 2bhb n ASP 369 Ca 0.20 0.30 -0.18 0.00 0.71 0.00 0.00 54.79 55.82 2bhb n ASP 369 Cb 0.26 -4.32 0.06 0.00 -0.02 0.00 0.00 41.12 37.10 2bhb n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bhb n ARG 370 N -2.47 -6.03 -0.01 -1.24 1.74 -0.38 -4.36 116.66 103.91 2bhb n ARG 370 Ca -0.19 0.64 0.14 0.00 -0.77 0.00 0.00 57.85 57.67 2bhb n ARG 370 Cb 0.62 -5.10 0.57 0.00 -1.02 0.00 0.00 32.46 27.52 2bhb n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bhb n SER 371 N -2.05 1.31 -4.73 0.55 3.41 -0.73 -1.64 113.62 109.73 2bhb n SER 371 Ca -0.02 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.72 2bhb n SER 371 Cb 0.56 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 2bhb n SER 371 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bhb s ARG 372 N -1.98 4.14 0.11 4.33 3.52 -0.64 -4.84 118.95 123.58 2bhb s ARG 372 Ca 0.39 2.56 -0.31 0.00 -0.13 0.00 0.00 55.73 58.24 2bhb s ARG 372 Cb 0.21 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 30.44 2bhb s ARG 372 CO 0.33 -0.68 1.65 0.42 -0.81 0.00 0.00 175.30 176.21 2bhb s ILE 373 N 0.71 2.83 0.36 4.11 -1.09 -1.26 -4.43 121.20 122.44 2bhb s ILE 373 Ca 0.70 0.41 -0.26 0.00 -2.23 0.00 0.00 60.65 59.27 2bhb s ILE 373 Cb -0.48 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.04 2bhb s ILE 373 CO 0.38 0.01 1.08 -0.76 -1.23 0.00 0.00 174.94 174.42 2bhb s LEU 374 N 2.19 4.27 0.11 2.97 1.43 0.21 -4.87 118.68 124.99 2bhb s LEU 374 Ca 0.74 2.16 0.03 0.00 -1.03 0.00 0.00 54.13 56.02 2bhb s LEU 374 Cb -0.42 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 2bhb s LEU 374 CO 0.32 -0.42 -0.08 -1.61 0.23 0.00 0.00 176.35 174.79 2bhb s GLU 375 N -2.15 0.90 0.25 1.70 2.02 -1.26 -1.47 118.70 118.70 2bhb s GLU 375 Ca 0.54 -1.33 -0.31 0.00 0.02 0.00 0.00 54.97 53.89 2bhb s GLU 375 Cb -0.26 -0.38 -0.13 0.00 0.10 0.00 0.00 34.13 33.46 2bhb s GLU 375 CO 0.33 0.03 1.50 -2.30 0.02 0.00 0.00 175.26 174.84 2bhb n PRO 376 N 0.03 2.31 0.00 0.39 -0.02 -1.26 -2.79 135.00 133.67 2bhb n PRO 376 Ca -0.12 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2bhb n PRO 376 Cb 0.60 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2bhb n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhb n GLY 377 N 2.29 2.32 3.75 -1.23 0.00 -0.24 -4.91 105.19 107.17 2bhb n GLY 377 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2bhb n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bhb s MET 378 N -0.68 4.50 -0.07 1.61 -1.94 -1.12 -1.39 119.30 120.21 2bhb s MET 378 Ca 0.00 1.95 0.05 0.00 -1.71 0.00 0.00 55.69 55.98 2bhb s MET 378 Cb 0.00 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.66 2bhb s MET 378 CO 0.00 -0.02 -0.24 0.08 -0.01 0.00 0.00 175.02 174.83 2bhb s VAL 379 N -0.70 1.99 0.19 -6.03 1.01 -1.26 -0.78 120.40 114.81 2bhb s VAL 379 Ca 0.49 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 2bhb s VAL 379 Cb -0.35 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.36 2bhb s VAL 379 CO 0.42 0.55 0.47 -1.48 0.00 0.00 0.00 175.10 175.06 2bhb s LEU 380 N 0.06 0.27 0.30 3.92 2.34 -0.17 -1.29 118.68 124.11 2bhb s LEU 380 Ca -0.09 -0.56 0.01 0.00 0.06 0.00 0.00 54.13 53.55 2bhb s LEU 380 Cb -0.15 1.94 -0.03 0.00 -0.56 0.00 0.00 46.19 47.38 2bhb s LEU 380 CO 0.05 -1.01 0.48 0.42 -1.06 0.00 0.00 176.35 175.23 2bhb s THR 381 N -3.89 5.16 -0.20 5.48 -4.23 -0.38 -0.04 115.64 117.53 2bhb s THR 381 Ca 0.11 -0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 2bhb s THR 381 Cb -0.00 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 70.05 2bhb s THR 381 CO -0.03 -0.45 0.02 -0.69 -0.54 0.00 0.00 174.62 172.93 2bhb s VAL 382 N -2.17 0.75 -0.40 2.29 1.01 -0.22 -4.03 120.40 117.64 2bhb s VAL 382 Ca 0.38 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2bhb s VAL 382 Cb -0.10 -1.20 0.29 0.00 0.00 0.00 0.00 36.38 35.37 2bhb s VAL 382 CO 0.33 -0.19 0.67 -1.84 0.00 0.00 0.00 175.10 174.07 2bhb n GLU 383 N 4.96 0.83 -1.85 2.72 0.28 0.58 -1.74 120.64 126.42 2bhb n GLU 383 Ca -0.10 -3.06 -0.36 0.00 -0.16 0.00 0.00 57.16 53.48 2bhb n GLU 383 Cb 0.46 -1.40 0.05 0.00 1.43 0.00 0.00 31.44 31.98 2bhb n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2bhb s PRO 384 N -1.38 2.75 0.12 3.44 0.04 -1.24 -4.77 135.00 133.97 2bhb s PRO 384 Ca 0.36 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 2bhb s PRO 384 Cb 0.25 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.92 2bhb s PRO 384 CO -0.11 -1.37 0.40 0.20 0.04 0.00 0.00 177.00 176.16 2bhb s GLY 385 N -1.72 -0.27 -0.05 0.56 0.00 -1.26 -2.47 107.32 102.11 2bhb s GLY 385 Ca 0.77 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 45.45 2bhb s GLY 385 CO 0.37 -0.31 -0.07 1.08 0.00 0.00 0.00 173.10 174.16 2bhb s LEU 386 N -2.80 1.46 -0.25 0.66 1.43 0.22 -4.46 118.68 114.94 2bhb s LEU 386 Ca 0.03 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2bhb s LEU 386 Cb 0.02 -0.57 0.07 0.00 0.03 0.00 0.00 46.19 45.74 2bhb s LEU 386 CO -0.12 -0.02 0.03 -0.31 0.23 0.00 0.00 176.35 176.16 2bhb s TYR 387 N 0.79 1.75 -0.38 0.29 1.51 0.48 -1.24 117.35 120.56 2bhb s TYR 387 Ca -0.13 -1.47 -0.14 0.00 -1.01 0.00 0.00 57.07 54.32 2bhb s TYR 387 Cb -0.15 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 2bhb s TYR 387 CO 0.01 -0.75 0.29 0.42 -1.11 0.00 0.00 175.55 174.41 2bhb s ILE 388 N 1.61 5.26 0.48 2.71 -1.09 0.55 -4.38 121.20 126.33 2bhb s ILE 388 Ca 0.01 -0.43 -0.23 0.00 -2.23 0.00 0.00 60.65 57.77 2bhb s ILE 388 Cb -0.18 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.78 2bhb s ILE 388 CO -0.12 -0.19 1.20 0.00 -1.23 0.00 0.00 174.94 174.60 2bhb n ALA 389 N 5.18 1.00 -0.39 9.38 0.00 -1.26 -0.22 120.51 134.19 2bhb n ALA 389 Ca -0.11 0.19 0.34 0.00 0.00 0.00 0.00 53.44 53.85 2bhb n ALA 389 Cb 0.48 -2.23 0.66 0.00 0.00 0.00 0.00 19.45 18.37 2bhb n ALA 389 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bhb h PRO 390 N 1.60 0.13 -0.23 0.00 0.11 -1.90 -1.32 132.00 130.39 2bhb h PRO 390 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bhb h PRO 390 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2bhb h PRO 390 CO 0.57 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 2bhb n ASP 391 N -4.40 3.67 -4.77 -2.05 5.75 -1.26 -4.57 116.55 108.93 2bhb n ASP 391 Ca 0.30 -3.02 -0.40 0.00 -0.01 0.00 0.00 54.79 51.66 2bhb n ASP 391 Cb 1.25 -0.53 -0.00 0.00 -1.03 0.00 0.00 41.12 40.82 2bhb n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bhb s ALA 392 N -2.82 3.38 -1.31 2.12 0.00 -0.51 -4.91 121.76 117.72 2bhb s ALA 392 Ca 0.41 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.59 2bhb s ALA 392 Cb 0.33 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 20.01 2bhb s ALA 392 CO 0.08 -0.93 1.80 0.39 0.00 0.00 0.00 175.76 177.10 2bhb n GLU 393 N 0.27 3.21 -4.11 0.00 1.02 -1.26 -4.87 120.64 114.89 2bhb n GLU 393 Ca 0.03 -3.28 -0.10 0.00 -0.02 0.00 0.00 57.16 53.78 2bhb n GLU 393 Cb 0.42 -3.29 -0.09 0.00 -0.02 0.00 0.00 31.44 28.45 2bhb n GLU 393 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bhb s VAL 394 N 3.01 0.05 0.32 2.62 -7.23 -1.26 -5.05 120.40 112.86 2bhb s VAL 394 Ca 0.49 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.59 2bhb s VAL 394 Cb 0.05 -2.19 -0.13 0.00 0.56 0.00 0.00 36.38 34.67 2bhb s VAL 394 CO 0.02 -0.21 1.10 -2.65 -0.31 0.00 0.00 175.10 173.06 2bhb n PRO 395 N -0.22 1.62 -0.33 4.82 -0.02 -1.26 -4.83 135.00 134.78 2bhb n PRO 395 Ca -0.03 0.57 0.16 0.00 -2.02 0.00 0.00 63.50 62.18 2bhb n PRO 395 Cb 0.64 -2.03 0.38 0.00 -0.02 0.00 0.00 33.50 32.47 2bhb n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bhb h GLU 396 N 2.12 0.63 0.00 -0.52 4.22 -1.99 -2.40 114.58 116.64 2bhb h GLU 396 Ca -0.42 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2bhb h GLU 396 Cb 1.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2bhb h GLU 396 CO 0.61 0.42 0.00 -0.56 -2.18 0.00 0.00 179.01 177.29 2bhb h GLN 397 N 0.65 0.00 0.00 1.92 -0.00 -2.02 -2.61 115.11 113.05 2bhb h GLN 397 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.22 2bhb h GLN 397 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.52 2bhb h GLN 397 CO -0.34 0.00 -1.11 0.66 -0.00 0.00 0.00 178.83 178.04 2bhb n TYR 398 N -2.88 0.08 -1.97 0.06 4.01 -0.90 -4.83 117.16 110.74 2bhb n TYR 398 Ca -0.01 0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 2bhb n TYR 398 Cb 0.17 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 38.93 2bhb n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2bhb s ARG 399 N -3.14 4.24 -0.12 -0.72 0.52 -0.99 -3.03 118.95 115.71 2bhb s ARG 399 Ca 0.05 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 2bhb s ARG 399 Cb 0.15 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.52 2bhb s ARG 399 CO 0.84 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2bhb n GLY 400 N 2.47 0.49 3.63 -3.53 0.00 0.69 -4.80 105.19 104.14 2bhb n GLY 400 Ca 0.08 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2bhb n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bhb s ILE 401 N -2.02 5.26 -0.17 -0.61 1.01 -1.08 -3.62 121.20 119.97 2bhb s ILE 401 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.07 2bhb s ILE 401 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.87 2bhb s ILE 401 CO 0.00 0.24 -0.19 -0.83 0.00 0.00 0.00 174.94 174.17 2bhb s GLY 402 N 1.40 1.33 -0.09 6.18 0.00 -1.26 -0.33 107.32 114.55 2bhb s GLY 402 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2bhb s GLY 402 CO 0.08 0.33 -0.07 -0.42 0.00 0.00 0.00 173.10 173.03 2bhb s ILE 403 N 1.33 0.90 -0.01 0.90 1.01 -0.37 -4.69 121.20 120.27 2bhb s ILE 403 Ca 0.05 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2bhb s ILE 403 Cb -0.13 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 2bhb s ILE 403 CO -0.12 0.33 -0.12 -0.60 0.00 0.00 0.00 174.94 174.43 2bhb s ARG 404 N 1.37 0.98 -0.08 2.79 3.52 -1.26 -0.61 118.95 125.66 2bhb s ARG 404 Ca -0.02 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 2bhb s ARG 404 Cb -0.14 -0.94 0.02 0.00 -1.56 0.00 0.00 34.95 32.33 2bhb s ARG 404 CO -0.04 0.26 -0.08 0.42 -0.81 0.00 0.00 175.30 175.05 2bhb s ILE 405 N -0.27 0.90 -0.03 4.11 1.01 -1.03 -3.45 121.20 122.43 2bhb s ILE 405 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2bhb s ILE 405 Cb -0.05 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.55 2bhb s ILE 405 CO -0.00 0.32 -0.01 -0.70 0.00 0.00 0.00 174.94 174.55 2bhb s GLU 406 N 1.24 0.45 0.20 2.79 2.12 -0.40 -3.67 118.70 121.43 2bhb s GLU 406 Ca -0.05 0.02 0.10 0.00 0.36 0.00 0.00 54.97 55.40 2bhb s GLU 406 Cb -0.14 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 2bhb s GLU 406 CO -0.02 -0.11 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.87 2bhb s ASP 407 N 0.93 3.13 -0.15 -1.70 1.01 -0.71 -2.93 116.67 116.25 2bhb s ASP 407 Ca -0.10 -0.91 -0.03 0.00 0.71 0.00 0.00 52.55 52.21 2bhb s ASP 407 Cb -0.13 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 2bhb s ASP 407 CO -0.01 0.03 -0.03 -1.81 0.21 0.00 0.00 175.17 173.55 2bhb s ASP 408 N -2.89 4.84 0.13 0.27 1.01 -1.26 -1.05 116.67 117.72 2bhb s ASP 408 Ca 0.21 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.42 2bhb s ASP 408 Cb -0.06 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.09 2bhb s ASP 408 CO 0.09 0.19 -0.12 0.27 0.21 0.00 0.00 175.17 175.82 2bhb s ILE 409 N 0.24 1.21 -0.07 0.77 -4.36 0.94 -0.78 121.20 119.16 2bhb s ILE 409 Ca -0.02 -1.83 0.06 0.00 -0.26 0.00 0.00 60.65 58.59 2bhb s ILE 409 Cb -0.14 -1.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.95 2bhb s ILE 409 CO 0.03 -0.56 -0.24 0.54 0.24 0.00 0.00 174.94 174.95 2bhb s VAL 410 N -2.61 2.13 0.02 8.37 0.11 -0.45 -1.00 120.40 126.97 2bhb s VAL 410 Ca 0.11 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.82 2bhb s VAL 410 Cb -0.02 -1.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.00 2bhb s VAL 410 CO 0.02 0.57 1.24 -0.63 -3.33 0.00 0.00 175.10 172.97 2bhb s ILE 411 N -0.09 4.01 0.56 7.04 -1.09 0.04 -0.64 121.20 131.03 2bhb s ILE 411 Ca -0.06 1.41 0.06 0.00 -2.23 0.00 0.00 60.65 59.83 2bhb s ILE 411 Cb -0.14 -3.91 0.05 0.00 -1.58 0.00 0.00 42.46 36.88 2bhb s ILE 411 CO 0.04 0.06 0.46 0.42 -1.23 0.00 0.00 174.94 174.69 2bhb s THR 412 N 1.63 1.63 0.38 2.92 -4.23 -0.36 -1.08 115.64 116.52 2bhb s THR 412 Ca 0.59 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 2bhb s THR 412 Cb -0.29 -2.07 0.30 0.00 1.34 0.00 0.00 72.50 71.79 2bhb s THR 412 CO 0.27 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.97 2bhb h GLU 413 N 0.65 0.66 0.00 3.99 4.39 -1.96 -3.22 114.58 119.08 2bhb h GLU 413 Ca -0.35 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2bhb h GLU 413 Cb 1.30 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2bhb h GLU 413 CO 0.55 0.44 -0.74 0.25 -1.16 0.00 0.00 179.01 178.34 2bhb n THR 414 N -4.48 0.00 0.00 1.13 -2.24 -1.26 -4.75 114.28 102.68 2bhb n THR 414 Ca 0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2bhb n THR 414 Cb 0.27 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2bhb n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bhb n GLY 415 N 1.51 0.18 3.19 3.38 0.00 -1.22 -4.82 105.19 107.42 2bhb n GLY 415 Ca 0.00 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 2bhb n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bhb s ASN 416 N 2.00 -0.01 -0.17 1.61 2.20 -1.24 -1.22 114.94 118.12 2bhb s ASN 416 Ca 0.00 -0.31 -0.05 0.00 -0.94 0.00 0.00 52.86 51.55 2bhb s ASN 416 Cb 0.00 0.30 -0.03 0.00 -2.00 0.00 0.00 41.25 39.52 2bhb s ASN 416 CO 0.00 -0.56 0.00 -0.70 -2.94 0.00 0.00 177.10 172.90 2bhb s GLU 417 N -2.49 3.79 -0.32 3.55 2.12 0.19 -4.86 118.70 120.69 2bhb s GLU 417 Ca -0.06 -0.45 -0.21 0.00 0.36 0.00 0.00 54.97 54.61 2bhb s GLU 417 Cb -0.01 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.33 2bhb s GLU 417 CO -0.03 0.24 0.67 1.21 -0.54 0.00 0.00 175.26 176.82 2bhb s ASN 418 N 0.39 6.52 0.00 -1.70 3.84 -1.26 -1.34 114.94 121.39 2bhb s ASN 418 Ca -0.01 0.42 0.27 0.00 0.21 0.00 0.00 52.86 53.75 2bhb s ASN 418 Cb -0.13 -2.35 0.93 0.00 -0.55 0.00 0.00 41.25 39.14 2bhb s ASN 418 CO 0.02 -0.54 1.71 0.18 -2.79 0.00 0.00 177.10 175.67 2bhb n LEU 419 N 6.01 0.23 -0.17 3.21 4.77 0.04 -4.28 117.00 126.81 2bhb n LEU 419 Ca 0.00 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2bhb n LEU 419 Cb 0.49 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2bhb n LEU 419 CO 0.48 0.06 0.42 0.35 -1.33 0.00 0.00 177.39 177.37 2bhb n THR 420 N -1.48 0.93 1.09 -5.08 -2.24 -1.25 -3.94 114.28 102.31 2bhb n THR 420 Ca 0.07 -1.09 0.12 0.00 -2.27 0.00 0.00 64.05 60.88 2bhb n THR 420 Cb 0.34 0.27 0.60 0.00 -2.10 0.00 0.00 70.33 69.44 2bhb n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bhb n ALA 421 N -0.66 2.23 0.91 6.98 0.00 -1.26 -3.17 120.51 125.54 2bhb n ALA 421 Ca 0.06 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2bhb n ALA 421 Cb 0.57 -1.40 0.51 0.00 0.00 0.00 0.00 19.45 19.13 2bhb n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bhb n SER 422 N -1.34 0.00 -4.62 0.00 3.41 -1.26 -4.49 113.62 105.32 2bhb n SER 422 Ca 0.10 0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.57 2bhb n SER 422 Cb 0.22 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 2bhb n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bhb s VAL 423 N -2.76 4.68 0.57 -3.33 0.11 -1.19 -4.90 120.40 113.58 2bhb s VAL 423 Ca 0.16 -0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 58.94 2bhb s VAL 423 Cb 0.15 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2bhb s VAL 423 CO 0.36 0.47 1.26 0.68 -3.33 0.00 0.00 175.10 174.54 2bhb s VAL 424 N 0.36 2.43 0.00 2.04 -7.23 -1.26 -4.97 120.40 111.77 2bhb s VAL 424 Ca 0.02 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 2bhb s VAL 424 Cb -0.13 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2bhb s VAL 424 CO 0.00 -0.03 0.00 2.29 -0.31 0.00 0.00 175.10 177.05 2bhb n LYS 425 N -1.29 4.48 -2.03 4.82 2.85 -1.26 -4.86 118.16 120.87 2bhb n LYS 425 Ca 0.12 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.97 2bhb n LYS 425 Cb 0.48 -0.62 -0.02 0.00 -0.65 0.00 0.00 35.03 34.21 2bhb n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2bhb s LYS 426 N -0.50 4.27 0.23 -1.58 1.02 -1.26 -4.88 119.74 117.04 2bhb s LYS 426 Ca 0.00 2.28 -0.07 0.00 0.02 0.00 0.00 55.97 58.20 2bhb s LYS 426 Cb 0.00 -3.12 0.29 0.00 -0.52 0.00 0.00 37.83 34.47 2bhb s LYS 426 CO 0.00 -0.42 1.85 -1.00 -0.92 0.00 0.00 175.35 174.86 2bhb h PRO 427 N 5.23 0.90 -0.24 -1.68 0.13 -1.99 -0.87 132.00 133.49 2bhb h PRO 427 Ca -0.46 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2bhb h PRO 427 Cb 1.22 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2bhb h PRO 427 CO 0.79 0.60 0.06 1.05 -0.23 0.00 0.00 178.00 180.26 2bhb h GLU 428 N 0.93 0.34 0.03 0.86 9.09 -1.99 -1.15 114.58 122.70 2bhb h GLU 428 Ca 0.34 -0.04 -0.26 0.00 0.05 0.00 0.00 59.36 59.45 2bhb h GLU 428 Cb 0.12 -0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.17 2bhb h GLU 428 CO -0.15 0.32 -1.06 0.93 0.05 0.00 0.00 179.01 179.10 2bhb h GLU 429 N 0.34 0.55 -0.12 1.06 5.08 -1.58 -2.18 114.58 117.74 2bhb h GLU 429 Ca 0.08 -0.64 0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2bhb h GLU 429 Cb 0.14 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2bhb h GLU 429 CO -0.00 1.25 -0.04 0.82 -1.00 0.00 0.00 179.01 180.04 2bhb h ILE 430 N 0.29 0.86 -0.79 3.13 2.04 -1.00 -1.77 117.51 120.28 2bhb h ILE 430 Ca -0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2bhb h ILE 430 Cb 1.72 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 2bhb h ILE 430 CO 0.20 0.00 0.40 -0.33 0.00 0.00 0.00 178.15 178.41 2bhb h GLU 431 N -0.02 1.13 -0.45 2.37 5.08 -1.20 -1.96 114.58 119.53 2bhb h GLU 431 Ca 0.06 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2bhb h GLU 431 Cb 0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2bhb h GLU 431 CO -0.13 0.86 -0.08 0.00 -1.00 0.00 0.00 179.01 178.66 2bhb h ALA 432 N 1.21 1.00 -0.54 3.43 0.00 -1.30 -1.28 119.26 121.77 2bhb h ALA 432 Ca 0.27 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2bhb h ALA 432 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2bhb h ALA 432 CO -0.04 0.60 0.15 1.25 0.00 0.00 0.00 179.25 181.21 2bhb h LEU 433 N 0.73 0.80 -0.21 0.00 5.85 -0.95 -1.20 115.31 120.33 2bhb h LEU 433 Ca 0.13 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 2bhb h LEU 433 Cb 0.57 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2bhb h LEU 433 CO 0.03 0.81 -0.51 0.24 -0.34 0.00 0.00 178.44 178.67 2bhb h MET 434 N 0.75 0.71 -0.39 1.25 2.86 -1.21 -1.96 114.93 116.94 2bhb h MET 434 Ca 0.17 -0.49 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 2bhb h MET 434 Cb 0.31 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 2bhb h MET 434 CO -0.00 1.11 0.21 0.28 1.06 0.00 0.00 176.91 179.56 2bhb h VAL 435 N 0.42 1.00 -0.85 -2.22 2.07 -1.22 -0.56 116.25 114.90 2bhb h VAL 435 Ca -0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2bhb h VAL 435 Cb 1.13 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2bhb h VAL 435 CO 0.11 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.22 2bhb h ALA 436 N 1.19 1.18 -0.40 1.67 0.00 -1.17 -2.75 119.26 118.97 2bhb h ALA 436 Ca 0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2bhb h ALA 436 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2bhb h ALA 436 CO -0.10 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.53 2bhb h ALA 437 N 1.29 0.79 0.00 0.00 0.00 -1.04 -2.79 119.26 117.50 2bhb h ALA 437 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2bhb h ALA 437 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bhb h ALA 437 CO -0.04 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.40 2bhb n ARG 438 N -4.09 0.17 -0.11 0.00 1.74 -0.24 -3.02 116.66 111.10 2bhb n ARG 438 Ca -0.00 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.07 2bhb n ARG 438 Cb 0.46 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 2bhb n ARG 438 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bhb n LYS 439 N -1.36 0.71 0.00 5.56 5.02 -1.09 -5.08 118.16 121.92 2bhb n LYS 439 Ca 0.07 0.08 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 2bhb n LYS 439 Cb 0.17 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 33.82 2bhb n LYS 439 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92