#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bhb s SER 2 N 0.00 6.52 0.14 1.61 0.01 -1.26 -4.41 113.70 116.31 3bhb s SER 2 Ca 0.00 0.82 0.04 0.00 1.31 0.00 0.00 55.95 58.13 3bhb s SER 2 Cb 0.00 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 3bhb s SER 2 CO 0.00 -0.16 -0.10 -1.00 0.41 0.00 0.00 173.24 172.39 3bhb s HIS 3 N -2.00 1.22 0.06 2.43 0.09 -0.91 -5.00 115.29 111.19 3bhb s HIS 3 Ca 0.46 -0.76 -0.08 0.00 -0.00 0.00 0.00 55.06 54.68 3bhb s HIS 3 Cb -0.11 -0.63 -0.00 0.00 -0.00 0.00 0.00 32.58 31.84 3bhb s HIS 3 CO 0.27 0.06 0.16 -1.54 -0.00 0.00 0.00 174.74 173.69 3bhb s SER 4 N -3.08 0.12 -0.06 1.40 1.04 -1.26 -0.77 113.70 111.09 3bhb s SER 4 Ca 0.15 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.05 3bhb s SER 4 Cb 0.02 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.45 3bhb s SER 4 CO 0.00 -0.61 -0.06 -0.32 0.98 0.00 0.00 173.24 173.22 3bhb s MET 5 N -3.14 1.11 0.09 4.02 -2.45 -0.71 -1.26 119.30 116.97 3bhb s MET 5 Ca -0.01 -0.18 0.04 0.00 -1.25 0.00 0.00 55.69 54.29 3bhb s MET 5 Cb 0.02 -1.08 -0.03 0.00 1.25 0.00 0.00 34.83 34.98 3bhb s MET 5 CO -0.07 -0.09 -0.11 1.03 1.05 0.00 0.00 175.02 176.83 3bhb s ARG 6 N 1.03 0.84 -0.06 4.11 0.52 -0.60 -2.04 118.95 122.75 3bhb s ARG 6 Ca -0.09 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3bhb s ARG 6 Cb -0.14 -0.61 0.02 0.00 0.52 0.00 0.00 34.95 34.74 3bhb s ARG 6 CO -0.00 0.11 -0.04 0.71 0.02 0.00 0.00 175.30 176.09 3bhb s TYR 7 N -2.11 0.83 -0.10 -0.53 2.02 -0.27 -0.87 117.35 116.33 3bhb s TYR 7 Ca 0.03 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 3bhb s TYR 7 Cb -0.05 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.73 3bhb s TYR 7 CO 0.01 -0.26 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.50 3bhb s PHE 8 N 1.23 2.69 -0.04 2.71 0.40 -0.13 -2.06 117.98 122.78 3bhb s PHE 8 Ca -0.06 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 55.64 3bhb s PHE 8 Cb -0.14 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.64 3bhb s PHE 8 CO -0.02 -0.19 -0.14 -0.06 0.70 0.00 0.00 175.22 175.51 3bhb s PHE 9 N 0.11 1.41 -0.07 0.36 0.40 0.60 -1.27 117.98 119.52 3bhb s PHE 9 Ca -0.08 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 3bhb s PHE 9 Cb -0.15 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.42 3bhb s PHE 9 CO 0.05 -0.16 -0.08 0.99 0.70 0.00 0.00 175.22 176.72 3bhb s THR 10 N 0.21 0.86 -0.18 0.64 2.01 -0.34 -0.97 115.64 117.87 3bhb s THR 10 Ca -0.06 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3bhb s THR 10 Cb -0.11 -0.84 0.04 0.00 0.01 0.00 0.00 72.50 71.60 3bhb s THR 10 CO 0.02 0.31 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.63 3bhb s SER 11 N 1.00 3.15 -0.21 3.53 0.15 0.12 -1.54 113.70 119.90 3bhb s SER 11 Ca -0.09 -0.79 -0.02 0.00 0.70 0.00 0.00 55.95 55.74 3bhb s SER 11 Cb -0.15 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.09 3bhb s SER 11 CO -0.00 -0.17 -0.09 -0.69 1.20 0.00 0.00 173.24 173.49 3bhb s VAL 12 N 1.51 2.92 0.47 4.45 1.01 -0.08 -1.06 120.40 129.62 3bhb s VAL 12 Ca -0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 3bhb s VAL 12 Cb -0.16 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 3bhb s VAL 12 CO -0.08 0.41 1.23 -0.94 0.00 0.00 0.00 175.10 175.72 3bhb s SER 13 N 1.40 5.99 -0.68 3.32 1.04 -0.57 -0.44 113.70 123.76 3bhb s SER 13 Ca 0.05 2.46 0.04 0.00 0.48 0.00 0.00 55.95 58.98 3bhb s SER 13 Cb -0.14 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 63.53 3bhb s SER 13 CO -0.06 -1.05 0.46 -0.13 0.98 0.00 0.00 173.24 173.44 3bhb s ARG 14 N -2.67 2.43 0.52 4.02 3.00 -1.26 -4.47 118.95 120.52 3bhb s ARG 14 Ca 0.64 -3.15 0.23 0.00 0.00 0.00 0.00 55.73 53.45 3bhb s ARG 14 Cb -0.33 -3.46 1.41 0.00 0.00 0.00 0.00 34.95 32.58 3bhb s ARG 14 CO 0.40 -1.24 2.11 -1.00 0.00 0.00 0.00 175.30 175.57 3bhb h PRO 15 N 5.76 0.00 -0.15 3.54 0.13 -1.86 -3.04 132.00 136.37 3bhb h PRO 15 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 3bhb h PRO 15 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3bhb h PRO 15 CO 0.72 0.09 -0.13 0.78 -0.23 0.00 0.00 178.00 179.23 3bhb h GLY 16 N 0.41 0.39 -5.18 1.56 0.00 -1.91 -3.47 103.07 94.87 3bhb h GLY 16 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 46.97 3bhb h GLY 16 CO 0.01 0.35 0.12 -1.60 0.00 0.00 0.00 176.54 175.42 3bhb s ARG 17 N -4.36 0.66 1.70 4.80 3.52 -1.15 -5.17 118.95 118.96 3bhb s ARG 17 Ca -0.14 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 3bhb s ARG 17 Cb 0.05 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 3bhb s ARG 17 CO 0.75 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 3bhb n GLY 18 N 3.89 -1.41 3.80 8.12 0.00 -1.26 -4.82 105.19 113.51 3bhb n GLY 18 Ca -0.19 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3bhb n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bhb s GLU 19 N 0.00 3.69 0.73 1.61 2.02 -1.26 -4.57 118.70 120.92 3bhb s GLU 19 Ca 0.00 1.31 -0.14 0.00 0.02 0.00 0.00 54.97 56.16 3bhb s GLU 19 Cb 0.00 -2.08 0.04 0.00 0.10 0.00 0.00 34.13 32.19 3bhb s GLU 19 CO 0.00 -0.52 1.15 -1.25 0.02 0.00 0.00 175.26 174.66 3bhb s PRO 20 N -3.48 2.24 -0.02 0.39 0.04 -1.26 -4.56 135.00 128.35 3bhb s PRO 20 Ca 0.66 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 3bhb s PRO 20 Cb -0.16 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3bhb s PRO 20 CO 0.25 -1.70 1.08 0.50 0.04 0.00 0.00 177.00 177.16 3bhb s ARG 21 N -4.20 4.45 -0.13 4.56 6.06 0.41 -4.87 118.95 125.23 3bhb s ARG 21 Ca 0.69 1.54 -0.00 0.00 -2.50 0.00 0.00 55.73 55.46 3bhb s ARG 21 Cb -0.24 -3.48 0.03 0.00 0.06 0.00 0.00 34.95 31.32 3bhb s ARG 21 CO 0.47 -0.25 -0.11 0.12 -2.50 0.00 0.00 175.30 173.04 3bhb s PHE 22 N 1.53 1.83 -0.12 5.12 5.36 -1.26 -0.90 117.98 129.54 3bhb s PHE 22 Ca 0.53 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 3bhb s PHE 22 Cb -0.23 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 3bhb s PHE 22 CO 0.24 -0.60 -0.13 0.42 -1.46 0.00 0.00 175.22 173.69 3bhb s ILE 23 N 1.60 1.44 -0.05 3.12 1.01 -0.59 -1.32 121.20 126.41 3bhb s ILE 23 Ca 0.05 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.17 3bhb s ILE 23 Cb -0.13 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3bhb s ILE 23 CO -0.09 0.43 -0.21 0.00 0.00 0.00 0.00 174.94 175.07 3bhb s ALA 24 N 1.29 1.84 0.02 9.38 0.00 -0.53 -1.20 121.76 132.56 3bhb s ALA 24 Ca -0.00 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3bhb s ALA 24 Cb -0.14 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3bhb s ALA 24 CO -0.06 0.36 -0.05 0.14 0.00 0.00 0.00 175.76 176.15 3bhb s VAL 25 N -0.11 0.31 0.01 0.00 -7.23 -0.40 -1.14 120.40 111.84 3bhb s VAL 25 Ca -0.02 -0.72 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 3bhb s VAL 25 Cb -0.12 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 3bhb s VAL 25 CO 0.03 -0.27 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.49 3bhb s GLY 26 N -1.05 1.42 0.04 2.32 0.00 -0.97 -0.96 107.32 108.13 3bhb s GLY 26 Ca -0.08 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.56 3bhb s GLY 26 CO -0.00 -0.99 -0.20 -0.19 0.00 0.00 0.00 173.10 171.71 3bhb s TYR 27 N -0.76 1.78 -0.24 1.90 2.02 -0.05 -1.30 117.35 120.70 3bhb s TYR 27 Ca 0.12 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 3bhb s TYR 27 Cb -0.10 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 3bhb s TYR 27 CO 0.01 0.09 -0.08 0.08 -1.57 0.00 0.00 175.55 174.08 3bhb s VAL 28 N -0.81 2.72 0.00 0.71 1.01 0.47 -1.56 120.40 122.93 3bhb s VAL 28 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3bhb s VAL 28 Cb -0.09 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3bhb s VAL 28 CO 0.02 0.20 0.00 0.47 0.00 0.00 0.00 175.10 175.79 3bhb n ASP 29 N 4.64 0.00 -1.94 3.32 8.00 -0.39 -1.39 116.55 128.79 3bhb n ASP 29 Ca -0.17 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 3bhb n ASP 29 Cb 0.47 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.83 3bhb n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bhb n ASP 30 N 4.63 4.31 -4.14 -2.24 8.00 -1.26 -4.87 116.55 120.98 3bhb n ASP 30 Ca 0.00 -3.37 -0.33 0.00 0.71 0.00 0.00 54.79 51.80 3bhb n ASP 30 Cb 0.00 -0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 40.20 3bhb n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3bhb s THR 31 N -3.09 2.45 0.14 -3.53 2.01 -0.49 -5.04 115.64 108.09 3bhb s THR 31 Ca 0.54 -1.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 3bhb s THR 31 Cb 0.44 -2.24 -0.07 0.00 0.01 0.00 0.00 72.50 70.65 3bhb s THR 31 CO 0.11 0.24 1.10 -1.58 -0.69 0.00 0.00 174.62 173.81 3bhb s GLN 32 N 1.26 4.56 0.00 4.92 0.74 -1.26 -0.40 119.66 129.48 3bhb s GLN 32 Ca -0.01 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.10 3bhb s GLN 32 Cb -0.16 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.64 3bhb s GLN 32 CO -0.07 0.00 0.00 1.97 -0.55 0.00 0.00 175.29 176.64 3bhb n PHE 33 N 2.83 0.00 -4.16 1.67 -1.74 -0.42 -4.18 117.46 111.46 3bhb n PHE 33 Ca 0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.83 3bhb n PHE 33 Cb 0.47 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.37 3bhb n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3bhb s VAL 34 N -1.80 0.54 0.12 1.97 -7.23 -1.25 0.10 120.40 112.84 3bhb s VAL 34 Ca 0.00 -1.91 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 3bhb s VAL 34 Cb 0.00 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.24 3bhb s VAL 34 CO 0.00 -0.80 0.46 0.00 -0.31 0.00 0.00 175.10 174.45 3bhb s ARG 35 N -3.88 1.10 -0.13 4.82 1.04 -0.42 -2.29 118.95 119.19 3bhb s ARG 35 Ca 0.14 -0.56 -0.06 0.00 -1.04 0.00 0.00 55.73 54.21 3bhb s ARG 35 Cb 0.06 0.49 0.06 0.00 -2.04 0.00 0.00 34.95 33.52 3bhb s ARG 35 CO -0.04 -0.44 0.28 0.12 -0.04 0.00 0.00 175.30 175.19 3bhb s PHE 36 N -3.49 -0.43 -0.14 5.89 2.19 -0.29 -0.68 117.98 121.03 3bhb s PHE 36 Ca 0.01 0.96 -0.00 0.00 0.33 0.00 0.00 56.93 58.23 3bhb s PHE 36 Cb 0.01 0.06 0.03 0.00 -1.31 0.00 0.00 43.02 41.81 3bhb s PHE 36 CO -0.10 -0.31 -0.09 0.34 1.83 0.00 0.00 175.22 176.89 3bhb s ASP 37 N 1.77 2.57 0.63 6.13 -1.08 -1.26 -1.45 116.67 123.98 3bhb s ASP 37 Ca -0.05 -0.48 0.39 0.00 -0.52 0.00 0.00 52.55 51.88 3bhb s ASP 37 Cb -0.11 -0.99 2.10 0.00 -1.46 0.00 0.00 42.92 42.46 3bhb s ASP 37 CO -0.09 -0.12 2.28 0.77 0.52 0.00 0.00 175.17 178.53 3bhb h SER 38 N 8.11 0.00 0.60 -0.34 4.64 -1.60 -1.67 113.55 123.30 3bhb h SER 38 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3bhb h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3bhb h SER 38 CO 0.45 0.01 -0.52 0.47 -0.87 0.00 0.00 176.83 176.38 3bhb n ASP 39 N -3.29 0.52 -4.81 4.97 9.92 -1.26 -4.93 116.55 117.67 3bhb n ASP 39 Ca -0.02 -0.13 -0.32 0.00 -0.53 0.00 0.00 54.79 53.78 3bhb n ASP 39 Cb 0.12 0.21 0.01 0.00 -0.64 0.00 0.00 41.12 40.82 3bhb n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bhb s ALA 40 N -3.04 2.76 0.06 2.24 0.00 -0.63 -5.00 121.76 118.15 3bhb s ALA 40 Ca 0.10 0.34 0.13 0.00 0.00 0.00 0.00 51.96 52.53 3bhb s ALA 40 Cb 0.17 -3.22 0.20 0.00 0.00 0.00 0.00 23.12 20.27 3bhb s ALA 40 CO 0.70 -0.81 1.50 0.00 0.00 0.00 0.00 175.76 177.15 3bhb h ALA 41 N 0.35 0.72 -0.42 0.00 0.00 -1.92 -3.34 119.26 114.66 3bhb h ALA 41 Ca -0.46 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 53.75 3bhb h ALA 41 Cb 1.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3bhb h ALA 41 CO 0.58 0.77 -0.27 0.66 0.00 0.00 0.00 179.25 180.99 3bhb h SER 42 N 0.00 0.92 -4.05 0.00 4.64 -1.94 -3.47 113.55 109.65 3bhb h SER 42 Ca -0.01 -0.36 -0.40 0.00 -0.47 0.00 0.00 61.79 60.55 3bhb h SER 42 Cb 1.32 -0.25 0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3bhb h SER 42 CO 0.08 1.13 -0.57 0.00 -0.87 0.00 0.00 176.83 176.60 3bhb n GLN 43 N -4.09 -3.69 -4.34 4.77 1.13 -1.25 -5.00 117.38 104.90 3bhb n GLN 43 Ca -0.01 0.90 -0.18 0.00 -1.94 0.00 0.00 57.00 55.78 3bhb n GLN 43 Cb 0.48 -5.69 -0.10 0.00 0.11 0.00 0.00 30.24 25.04 3bhb n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3bhb s ARG 44 N -5.49 1.32 -0.22 -1.09 1.81 -1.26 -5.04 118.95 108.99 3bhb s ARG 44 Ca 0.20 -1.61 -0.29 0.00 -1.72 0.00 0.00 55.73 52.31 3bhb s ARG 44 Cb -0.09 -0.98 -0.00 0.00 -0.45 0.00 0.00 34.95 33.43 3bhb s ARG 44 CO 0.25 0.10 1.18 1.41 -0.68 0.00 0.00 175.30 177.56 3bhb s MET 45 N -3.71 4.19 -0.07 3.54 -2.45 -1.26 -4.69 119.30 114.85 3bhb s MET 45 Ca 0.23 1.46 -0.03 0.00 -1.25 0.00 0.00 55.69 56.10 3bhb s MET 45 Cb 0.01 -3.74 -0.04 0.00 1.25 0.00 0.00 34.83 32.32 3bhb s MET 45 CO 0.07 -0.75 0.07 -1.21 1.05 0.00 0.00 175.02 174.25 3bhb s GLU 46 N 3.50 3.15 0.32 4.11 2.02 0.14 -4.93 118.70 127.01 3bhb s GLU 46 Ca 0.50 -0.35 -0.28 0.00 0.02 0.00 0.00 54.97 54.87 3bhb s GLU 46 Cb -0.18 -2.93 -0.09 0.00 0.10 0.00 0.00 34.13 31.02 3bhb s GLU 46 CO 0.13 0.71 1.11 -1.25 0.02 0.00 0.00 175.26 175.97 3bhb s PRO 47 N -1.20 4.47 0.00 0.39 0.04 -1.26 -1.30 135.00 136.14 3bhb s PRO 47 Ca 0.17 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3bhb s PRO 47 Cb -0.12 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3bhb s PRO 47 CO 0.07 0.07 0.63 0.54 0.04 0.00 0.00 177.00 178.34 3bhb n ARG 48 N 0.81 0.87 -3.86 4.56 5.12 0.11 -4.90 116.66 119.37 3bhb n ARG 48 Ca 0.01 -0.82 -0.12 0.00 -1.93 0.00 0.00 57.85 54.99 3bhb n ARG 48 Cb 0.46 -0.84 -0.13 0.00 -1.16 0.00 0.00 32.46 30.78 3bhb n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bhb s ALA 49 N -0.39 -0.10 0.53 7.54 0.00 -1.23 -4.69 121.76 123.42 3bhb s ALA 49 Ca 0.00 0.08 0.17 0.00 0.00 0.00 0.00 51.96 52.21 3bhb s ALA 49 Cb 0.00 -0.05 1.32 0.00 0.00 0.00 0.00 23.12 24.39 3bhb s ALA 49 CO 0.00 -0.03 2.16 -1.00 0.00 0.00 0.00 175.76 176.89 3bhb h PRO 50 N 5.97 0.00 0.00 0.00 0.13 -1.95 -3.02 132.00 133.13 3bhb h PRO 50 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3bhb h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3bhb h PRO 50 CO 0.48 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.58 3bhb n TRP 51 N -4.47 0.00 0.23 1.56 4.27 -1.26 -3.10 117.44 114.67 3bhb n TRP 51 Ca -0.03 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.69 3bhb n TRP 51 Cb 0.09 -0.45 -0.12 0.00 -1.36 0.00 0.00 31.31 29.48 3bhb n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3bhb n ILE 52 N -1.45 0.09 0.32 -1.67 0.13 -1.14 -4.38 119.36 111.27 3bhb n ILE 52 Ca 0.08 -0.40 0.21 0.00 -1.10 0.00 0.00 62.75 61.54 3bhb n ILE 52 Cb 0.27 0.14 1.06 0.00 -0.84 0.00 0.00 39.64 40.27 3bhb n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3bhb h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.65 -2.28 114.58 125.24 3bhb h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bhb h GLU 53 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3bhb h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3bhb n GLN 54 N -3.04 0.00 -2.43 2.33 10.64 -1.26 -4.79 117.38 118.83 3bhb n GLN 54 Ca -0.02 0.12 -0.41 0.00 -1.83 0.00 0.00 57.00 54.86 3bhb n GLN 54 Cb 0.13 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 27.97 3bhb n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3bhb s GLU 55 N -3.00 4.57 1.11 2.61 0.41 -0.86 -5.04 118.70 118.50 3bhb s GLU 55 Ca 0.11 1.83 -0.18 0.00 -0.41 0.00 0.00 54.97 56.32 3bhb s GLU 55 Cb 0.14 -3.22 0.25 0.00 -1.78 0.00 0.00 34.13 29.53 3bhb s GLU 55 CO 0.40 0.06 1.18 0.20 -0.49 0.00 0.00 175.26 176.62 3bhb s GLY 56 N -0.37 1.65 0.41 -1.39 0.00 -1.26 -4.86 107.32 101.49 3bhb s GLY 56 Ca 0.48 -1.01 0.13 0.00 0.00 0.00 0.00 44.72 44.32 3bhb s GLY 56 CO 0.39 -0.18 1.93 -2.55 0.00 0.00 0.00 173.10 172.69 3bhb h PRO 57 N -2.23 0.50 -0.69 2.90 0.11 -1.99 -2.36 132.00 128.23 3bhb h PRO 57 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3bhb h PRO 57 Cb 1.28 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3bhb h PRO 57 CO 0.37 0.33 0.35 0.93 -0.21 0.00 0.00 178.00 179.77 3bhb h GLU 58 N 0.51 0.99 0.26 1.05 3.07 -1.99 -2.10 114.58 116.37 3bhb h GLU 58 Ca 0.35 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 3bhb h GLU 58 Cb 0.67 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3bhb h GLU 58 CO -0.12 0.76 -0.13 -0.92 -1.40 0.00 0.00 179.01 177.21 3bhb h TYR 59 N 0.96 -0.33 0.00 4.33 5.03 -1.79 -1.81 116.97 123.37 3bhb h TYR 59 Ca 0.24 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.51 3bhb h TYR 59 Cb 0.09 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.47 3bhb h TYR 59 CO 0.00 -0.04 -0.16 -1.49 -1.32 0.00 0.00 178.16 175.16 3bhb h TRP 60 N -0.60 0.00 0.14 -3.82 4.06 -1.48 0.35 115.95 114.59 3bhb h TRP 60 Ca -0.04 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.63 3bhb h TRP 60 Cb 0.43 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.61 3bhb h TRP 60 CO 0.01 0.16 -1.25 -0.44 -3.56 0.00 0.00 178.44 173.35 3bhb h ASP 61 N 0.00 0.61 -0.32 -3.49 3.32 -1.38 -2.41 116.42 112.75 3bhb h ASP 61 Ca -0.00 -0.61 -0.07 0.00 0.02 0.00 0.00 57.03 56.37 3bhb h ASP 61 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3bhb h ASP 61 CO 0.02 1.45 -0.09 1.23 -1.72 0.00 0.00 179.24 180.14 3bhb h GLY 62 N 1.02 0.68 1.90 2.75 0.00 -0.74 -2.17 103.07 106.50 3bhb h GLY 62 Ca -0.16 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.48 3bhb h GLY 62 CO 0.22 0.52 -0.54 0.83 0.00 0.00 0.00 176.54 177.57 3bhb h GLU 63 N 0.40 0.10 -0.15 4.80 4.39 -1.02 -2.29 114.58 120.82 3bhb h GLU 63 Ca 0.08 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 3bhb h GLU 63 Cb 0.59 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3bhb h GLU 63 CO 0.03 0.62 -0.38 1.15 -1.16 0.00 0.00 179.01 179.27 3bhb h THR 64 N 0.08 1.36 -0.22 1.13 2.02 -1.42 -2.52 112.91 113.34 3bhb h THR 64 Ca -0.00 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 3bhb h THR 64 Cb 0.98 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3bhb h THR 64 CO 0.08 0.50 0.14 -0.09 0.37 0.00 0.00 175.52 176.51 3bhb h ARG 65 N 0.14 0.29 -0.51 6.66 2.43 -1.34 -1.72 114.38 120.33 3bhb h ARG 65 Ca -0.01 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3bhb h ARG 65 Cb 1.00 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3bhb h ARG 65 CO 0.08 0.22 0.02 0.87 -1.51 0.00 0.00 179.97 179.65 3bhb h LYS 66 N 0.27 0.85 0.00 0.20 1.57 -1.46 -1.61 116.57 116.40 3bhb h LYS 66 Ca 0.08 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.45 3bhb h LYS 66 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3bhb h LYS 66 CO -0.02 0.84 -0.83 -0.24 -0.57 0.00 0.00 179.45 178.63 3bhb h VAL 67 N 0.79 1.53 -0.12 0.50 3.04 -1.35 -2.12 116.25 118.53 3bhb h VAL 67 Ca 0.15 -2.91 -0.18 0.00 -1.01 0.00 0.00 66.70 62.76 3bhb h VAL 67 Cb 0.45 2.60 -0.00 0.00 -2.01 0.00 0.00 31.29 32.33 3bhb h VAL 67 CO 0.02 0.81 -0.67 0.11 -1.01 0.00 0.00 177.57 176.83 3bhb h LYS 68 N 0.00 0.48 -0.46 4.17 1.57 -1.15 -1.91 116.57 119.27 3bhb h LYS 68 Ca -0.01 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 3bhb h LYS 68 Cb 1.53 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 3bhb h LYS 68 CO 0.11 0.98 0.01 0.00 -0.57 0.00 0.00 179.45 179.98 3bhb h ALA 69 N 0.92 0.62 -0.38 3.86 0.00 -1.23 -2.83 119.26 120.22 3bhb h ALA 69 Ca -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3bhb h ALA 69 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3bhb h ALA 69 CO 0.12 0.42 0.02 0.45 0.00 0.00 0.00 179.25 180.26 3bhb h HIS 70 N 0.67 0.62 -0.23 0.00 3.86 -1.26 -2.22 115.15 116.59 3bhb h HIS 70 Ca 0.13 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 3bhb h HIS 70 Cb 0.49 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 3bhb h HIS 70 CO 0.04 0.58 0.02 0.66 0.86 0.00 0.00 177.93 180.09 3bhb h SER 71 N 0.57 0.30 0.63 2.45 4.64 -1.10 -1.93 113.55 119.11 3bhb h SER 71 Ca 0.12 -0.04 -0.27 0.00 -0.47 0.00 0.00 61.79 61.13 3bhb h SER 71 Cb 0.33 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3bhb h SER 71 CO 0.01 0.34 -1.34 1.56 -0.87 0.00 0.00 176.83 176.53 3bhb h GLN 72 N 0.32 0.19 -0.00 4.77 1.08 -1.29 -3.03 115.11 117.14 3bhb h GLN 72 Ca 0.08 -0.32 -0.15 0.00 -1.45 0.00 0.00 58.65 56.81 3bhb h GLN 72 Cb 0.19 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 3bhb h GLN 72 CO 0.00 1.08 -0.69 1.79 -0.95 0.00 0.00 178.83 180.06 3bhb h THR 73 N 0.05 1.49 0.00 -0.54 1.35 -1.09 -2.72 112.91 111.45 3bhb h THR 73 Ca -0.16 -2.36 -0.05 0.00 -0.55 0.00 0.00 66.41 63.29 3bhb h THR 73 Cb 1.95 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 70.63 3bhb h THR 73 CO 0.16 0.67 -0.24 0.45 -0.25 0.00 0.00 175.52 176.31 3bhb h HIS 74 N 0.01 0.00 -0.24 4.73 3.86 -1.45 0.30 115.15 122.36 3bhb h HIS 74 Ca -0.01 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 3bhb h HIS 74 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3bhb h HIS 74 CO 0.00 0.24 -0.45 -0.09 0.86 0.00 0.00 177.93 178.49 3bhb h ARG 75 N 0.00 0.74 -0.39 2.45 2.43 -1.42 -1.60 114.38 116.59 3bhb h ARG 75 Ca -0.00 -0.47 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 3bhb h ARG 75 Cb 1.06 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3bhb h ARG 75 CO 0.03 1.09 -0.13 0.28 -1.51 0.00 0.00 179.97 179.74 3bhb h VAL 76 N 0.47 1.28 -0.62 0.20 2.07 -1.31 -2.94 116.25 115.40 3bhb h VAL 76 Ca 0.01 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.35 3bhb h VAL 76 Cb 1.06 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 3bhb h VAL 76 CO 0.10 0.41 0.35 0.44 0.02 0.00 0.00 177.57 178.89 3bhb h ASP 77 N 0.58 0.54 -0.52 0.57 3.32 -0.81 0.80 116.42 120.90 3bhb h ASP 77 Ca 0.09 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3bhb h ASP 77 Cb 0.66 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3bhb h ASP 77 CO 0.05 0.36 0.34 -0.07 -1.72 0.00 0.00 179.24 178.20 3bhb h LEU 78 N 0.67 0.59 -0.06 1.55 3.38 -1.21 0.71 115.31 120.94 3bhb h LEU 78 Ca 0.27 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.97 3bhb h LEU 78 Cb 0.12 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.74 3bhb h LEU 78 CO -0.15 0.43 -1.00 1.23 0.09 0.00 0.00 178.44 179.03 3bhb h GLY 79 N 0.70 0.71 1.16 0.83 0.00 -1.13 -2.83 103.07 102.51 3bhb h GLY 79 Ca 0.19 -1.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.15 3bhb h GLY 79 CO -0.04 1.08 -0.33 -0.84 0.00 0.00 0.00 176.54 176.40 3bhb h THR 80 N 0.36 1.27 0.00 4.70 2.02 -0.15 -3.00 112.91 118.11 3bhb h THR 80 Ca -0.11 -1.50 -0.12 0.00 0.77 0.00 0.00 66.41 65.44 3bhb h THR 80 Cb 1.65 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 3bhb h THR 80 CO 0.19 0.51 -0.57 -0.07 0.37 0.00 0.00 175.52 175.95 3bhb h LEU 81 N 0.77 0.00 -1.03 2.58 3.38 -0.97 -1.81 115.31 118.23 3bhb h LEU 81 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3bhb h LEU 81 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3bhb h LEU 81 CO 0.09 0.57 -0.25 -0.09 0.09 0.00 0.00 178.44 178.84 3bhb h ARG 82 N 0.00 0.39 -0.03 1.13 2.43 -1.45 -1.79 114.38 115.06 3bhb h ARG 82 Ca -0.01 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 58.85 3bhb h ARG 82 Cb 1.12 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3bhb h ARG 82 CO 0.07 0.62 -0.65 0.78 -1.51 0.00 0.00 179.97 179.28 3bhb h GLY 83 N 1.01 0.55 1.02 2.80 0.00 -1.36 -0.48 103.07 106.61 3bhb h GLY 83 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3bhb h GLY 83 CO 0.05 0.80 0.46 -0.97 0.00 0.00 0.00 176.54 176.87 3bhb h TYR 84 N 0.05 1.11 -0.01 5.60 0.05 -1.19 -2.86 116.97 119.72 3bhb h TYR 84 Ca -0.07 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3bhb h TYR 84 Cb 1.33 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.71 3bhb h TYR 84 CO 0.13 0.77 -0.13 0.66 -1.05 0.00 0.00 178.16 178.54 3bhb n TYR 85 N -4.41 0.00 -3.63 4.88 4.01 -0.69 -4.97 117.16 112.36 3bhb n TYR 85 Ca 0.08 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 3bhb n TYR 85 Cb 0.09 -0.06 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 3bhb n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3bhb n ASN 86 N -0.22 -2.20 -4.95 7.72 5.15 -0.85 -5.00 115.26 114.91 3bhb n ASN 86 Ca 0.15 -0.73 -0.23 0.00 -0.60 0.00 0.00 54.58 53.17 3bhb n ASN 86 Cb 0.36 -4.46 -0.02 0.00 -0.53 0.00 0.00 39.78 35.13 3bhb n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3bhb s GLN 87 N -5.87 3.47 0.54 1.20 -0.21 -0.25 -5.05 119.66 113.50 3bhb s GLN 87 Ca 0.11 -0.47 -0.20 0.00 0.02 0.00 0.00 55.36 54.82 3bhb s GLN 87 Cb -0.05 -2.74 -0.06 0.00 1.00 0.00 0.00 33.01 31.16 3bhb s GLN 87 CO 0.78 0.25 1.16 0.45 -2.12 0.00 0.00 175.29 175.81 3bhb s SER 88 N -3.97 5.67 0.06 5.90 0.15 -1.26 -4.82 113.70 115.43 3bhb s SER 88 Ca 0.38 2.26 0.27 0.00 0.70 0.00 0.00 55.95 59.55 3bhb s SER 88 Cb -0.09 -2.59 0.88 0.00 -1.71 0.00 0.00 66.02 62.50 3bhb s SER 88 CO 0.33 -1.26 1.71 1.21 1.20 0.00 0.00 173.24 176.44 3bhb n GLU 89 N -1.23 0.10 0.10 5.44 2.13 -1.26 -3.66 120.64 122.26 3bhb n GLU 89 Ca 0.11 0.06 0.12 0.00 0.66 0.00 0.00 57.16 58.12 3bhb n GLU 89 Cb 0.50 -1.60 0.25 0.00 0.27 0.00 0.00 31.44 30.87 3bhb n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3bhb h ALA 90 N 2.82 0.79 -2.41 4.31 0.00 -1.93 -3.45 119.26 119.39 3bhb h ALA 90 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3bhb h ALA 90 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3bhb h ALA 90 CO 0.00 0.00 -0.11 0.20 0.00 0.00 0.00 179.25 179.34 3bhb s GLY 91 N -3.75 1.86 -0.20 0.00 0.00 -1.24 -4.83 107.32 99.16 3bhb s GLY 91 Ca 0.08 -0.52 -0.13 0.00 0.00 0.00 0.00 44.72 44.15 3bhb s GLY 91 CO 0.67 -0.40 0.25 -0.45 0.00 0.00 0.00 173.10 173.16 3bhb s SER 92 N -3.17 6.30 0.25 1.64 0.15 -1.26 -4.68 113.70 112.94 3bhb s SER 92 Ca 0.45 0.35 0.08 0.00 0.70 0.00 0.00 55.95 57.52 3bhb s SER 92 Cb -0.11 -2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 3bhb s SER 92 CO 0.30 0.07 -0.11 -1.00 1.20 0.00 0.00 173.24 173.70 3bhb s HIS 93 N 0.79 1.91 -0.08 3.44 3.76 -1.26 -4.95 115.29 118.90 3bhb s HIS 93 Ca 0.13 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 3bhb s HIS 93 Cb -0.13 -0.99 -0.00 0.00 1.11 0.00 0.00 32.58 32.57 3bhb s HIS 93 CO 0.04 0.37 -0.22 0.99 -0.85 0.00 0.00 174.74 175.07 3bhb s THR 94 N -2.93 1.85 -0.16 1.30 2.01 -1.26 -1.50 115.64 114.95 3bhb s THR 94 Ca 0.27 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.36 3bhb s THR 94 Cb 0.01 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.93 3bhb s THR 94 CO 0.10 0.52 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.67 3bhb s VAL 95 N 0.25 2.23 0.05 3.82 1.01 -0.22 -0.86 120.40 126.68 3bhb s VAL 95 Ca -0.13 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.03 3bhb s VAL 95 Cb -0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3bhb s VAL 95 CO 0.06 0.53 -0.23 -1.10 0.00 0.00 0.00 175.10 174.36 3bhb s GLN 96 N 1.04 1.85 -0.00 2.72 -0.21 -0.38 -0.70 119.66 123.98 3bhb s GLN 96 Ca -0.01 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.27 3bhb s GLN 96 Cb -0.14 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.82 3bhb s GLN 96 CO -0.06 0.51 0.00 0.50 -2.12 0.00 0.00 175.29 174.13 3bhb s ARG 97 N -1.42 0.00 -0.05 2.91 3.52 -0.14 -1.31 118.95 122.47 3bhb s ARG 97 Ca 0.13 0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.70 3bhb s ARG 97 Cb -0.10 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 3bhb s ARG 97 CO 0.04 -0.01 0.12 1.41 -0.81 0.00 0.00 175.30 176.05 3bhb s MET 98 N 0.06 0.13 0.09 5.12 1.75 -0.30 -0.29 119.30 125.85 3bhb s MET 98 Ca -0.00 0.19 -0.13 0.00 -1.25 0.00 0.00 55.69 54.50 3bhb s MET 98 Cb -0.01 0.03 0.02 0.00 2.84 0.00 0.00 34.83 37.71 3bhb s MET 98 CO -0.00 -0.04 0.31 1.52 -0.65 0.00 0.00 175.02 176.16 3bhb s TYR 99 N 0.24 -0.06 0.00 4.11 -0.85 -0.88 -0.66 117.35 119.25 3bhb s TYR 99 Ca -0.01 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 3bhb s TYR 99 Cb -0.03 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.43 3bhb s TYR 99 CO -0.01 -0.60 0.00 0.41 -1.52 0.00 0.00 175.55 173.83 3bhb n GLY 100 N 0.01 0.89 3.22 5.49 0.00 -0.93 -1.11 105.19 112.76 3bhb n GLY 100 Ca -0.16 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 3bhb n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bhb s ASP 102 N -2.54 3.22 -0.05 0.00 1.01 0.29 -1.73 116.67 116.86 3bhb s ASP 102 Ca 0.09 -0.66 0.05 0.00 0.71 0.00 0.00 52.55 52.74 3bhb s ASP 102 Cb -0.03 -0.25 -0.02 0.00 1.01 0.00 0.00 42.92 43.63 3bhb s ASP 102 CO 0.02 0.22 -0.21 0.68 0.21 0.00 0.00 175.17 176.08 3bhb s VAL 103 N -0.92 2.42 0.17 -1.27 -7.23 0.05 -1.44 120.40 112.18 3bhb s VAL 103 Ca 0.13 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 3bhb s VAL 103 Cb -0.10 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 34.97 3bhb s VAL 103 CO 0.04 0.57 0.23 0.61 -0.31 0.00 0.00 175.10 176.24 3bhb n GLY 104 N 2.72 -1.01 0.30 2.32 0.00 -0.05 -2.13 105.19 107.34 3bhb n GLY 104 Ca -0.17 -1.70 0.19 0.00 0.00 0.00 0.00 46.02 44.33 3bhb n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bhb h SER 105 N -0.29 0.00 -0.08 1.61 4.64 -1.89 -0.79 113.55 116.75 3bhb h SER 105 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3bhb h SER 105 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3bhb h SER 105 CO 0.05 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.14 3bhb n ASP 106 N -3.27 1.45 0.00 4.97 5.75 -1.26 -4.65 116.55 119.54 3bhb n ASP 106 Ca -0.02 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 3bhb n ASP 106 Cb 0.17 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3bhb n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3bhb n TRP 107 N 0.15 0.00 -3.50 2.11 7.02 -0.30 -5.02 117.44 117.90 3bhb n TRP 107 Ca 0.18 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.43 3bhb n TRP 107 Cb 0.32 -0.75 0.02 0.00 -2.42 0.00 0.00 31.31 28.48 3bhb n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3bhb s ARG 108 N -0.65 2.33 0.18 -0.99 0.52 -1.26 -4.77 118.95 114.31 3bhb s ARG 108 Ca 0.00 -1.79 -0.33 0.00 -0.52 0.00 0.00 55.73 53.09 3bhb s ARG 108 Cb 0.00 -2.36 -0.15 0.00 0.52 0.00 0.00 34.95 32.96 3bhb s ARG 108 CO 0.00 -0.64 1.23 0.34 0.02 0.00 0.00 175.30 176.25 3bhb n PHE 109 N -1.92 1.52 0.01 -0.53 7.35 -1.26 -0.87 117.46 121.76 3bhb n PHE 109 Ca 0.06 0.61 -0.01 0.00 -0.76 0.00 0.00 57.45 57.35 3bhb n PHE 109 Cb 0.63 -2.33 -0.00 0.00 0.35 0.00 0.00 39.48 38.13 3bhb n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3bhb n LEU 110 N 2.08 0.82 -3.56 -2.13 -0.00 -0.52 -4.61 117.00 109.08 3bhb n LEU 110 Ca 0.14 0.11 -0.13 0.00 -0.00 0.00 0.00 56.01 56.14 3bhb n LEU 110 Cb 0.26 -0.31 -0.04 0.00 -0.00 0.00 0.00 43.42 43.32 3bhb n LEU 110 CO 0.61 -0.59 0.27 0.00 -0.00 0.00 0.00 177.39 177.69 3bhb s ARG 111 N -1.75 1.09 0.12 1.96 1.70 -1.23 -5.01 118.95 115.84 3bhb s ARG 111 Ca -0.04 -0.40 0.07 0.00 -0.47 0.00 0.00 55.73 54.89 3bhb s ARG 111 Cb 0.01 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 3bhb s ARG 111 CO 0.06 -0.42 -0.17 0.20 -1.08 0.00 0.00 175.30 173.89 3bhb s GLY 112 N -2.33 1.21 0.06 3.88 0.00 -1.26 -0.55 107.32 108.33 3bhb s GLY 112 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3bhb s GLY 112 CO -0.06 -1.35 -0.05 -0.19 0.00 0.00 0.00 173.10 171.45 3bhb s TYR 113 N -1.72 0.64 -0.31 1.90 2.02 0.08 -4.82 117.35 115.13 3bhb s TYR 113 Ca 0.09 -0.92 -0.05 0.00 -0.37 0.00 0.00 57.07 55.82 3bhb s TYR 113 Cb -0.07 -0.42 0.19 0.00 -0.40 0.00 0.00 41.96 41.26 3bhb s TYR 113 CO 0.04 -0.26 0.90 -1.58 -1.57 0.00 0.00 175.55 173.09 3bhb s HIS 114 N -3.39 -0.91 0.09 2.71 2.46 -1.26 -2.18 115.29 112.81 3bhb s HIS 114 Ca 0.05 0.45 0.02 0.00 0.47 0.00 0.00 55.06 56.05 3bhb s HIS 114 Cb 0.04 0.16 -0.04 0.00 -0.13 0.00 0.00 32.58 32.61 3bhb s HIS 114 CO -0.07 -0.55 -0.08 1.14 -2.47 0.00 0.00 174.74 172.72 3bhb s GLN 115 N 2.70 0.77 0.16 2.88 -2.07 0.17 -1.57 119.66 122.70 3bhb s GLN 115 Ca 0.21 -1.17 0.07 0.00 -1.82 0.00 0.00 55.36 52.64 3bhb s GLN 115 Cb -0.03 -0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 31.55 3bhb s GLN 115 CO -0.21 0.02 -0.15 0.71 -1.32 0.00 0.00 175.29 174.33 3bhb s TYR 116 N -2.89 1.62 0.00 9.60 2.02 0.32 -1.15 117.35 126.87 3bhb s TYR 116 Ca 0.06 -0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 56.16 3bhb s TYR 116 Cb 0.00 -0.81 -0.00 0.00 -0.40 0.00 0.00 41.96 40.75 3bhb s TYR 116 CO -0.03 0.26 0.10 0.00 -1.57 0.00 0.00 175.55 174.32 3bhb s ALA 117 N -2.36 -0.24 -0.09 3.71 0.00 -0.42 -1.63 121.76 120.74 3bhb s ALA 117 Ca 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3bhb s ALA 117 Cb -0.04 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3bhb s ALA 117 CO 0.05 -0.19 -0.14 -0.47 0.00 0.00 0.00 175.76 175.01 3bhb s TYR 118 N -1.33 1.70 -1.27 0.00 5.04 -0.55 -1.25 117.35 119.69 3bhb s TYR 118 Ca -0.14 -0.72 -0.07 0.00 -2.44 0.00 0.00 57.07 53.70 3bhb s TYR 118 Cb -0.08 -1.24 0.05 0.00 0.35 0.00 0.00 41.96 41.04 3bhb s TYR 118 CO 0.01 -0.38 0.42 -0.25 -1.34 0.00 0.00 175.55 174.02 3bhb n ASP 119 N 4.04 -4.04 0.00 4.32 8.00 -0.04 -1.71 116.55 127.11 3bhb n ASP 119 Ca -0.20 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3bhb n ASP 119 Cb 0.51 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 3bhb n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bhb n GLY 120 N -1.15 0.82 3.43 0.44 0.00 -1.26 -5.02 105.19 102.45 3bhb n GLY 120 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3bhb n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bhb s LYS 121 N -0.29 1.61 0.24 1.61 1.02 -0.69 -5.09 119.74 118.14 3bhb s LYS 121 Ca 0.00 -1.25 -0.31 0.00 0.02 0.00 0.00 55.97 54.43 3bhb s LYS 121 Cb 0.00 -2.01 -0.14 0.00 -0.52 0.00 0.00 37.83 35.17 3bhb s LYS 121 CO 0.00 0.47 1.33 -0.25 -0.92 0.00 0.00 175.35 175.98 3bhb n ASP 122 N 0.92 2.42 0.00 2.83 8.00 -1.26 -1.48 116.55 127.97 3bhb n ASP 122 Ca -0.17 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3bhb n ASP 122 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 3bhb n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bhb n TYR 123 N 1.58 0.00 -4.08 1.24 9.36 -0.64 -4.72 117.16 119.89 3bhb n TYR 123 Ca 0.11 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.19 3bhb n TYR 123 Cb 0.31 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.89 3bhb n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3bhb s ILE 124 N -0.56 0.38 -0.04 2.97 2.07 -1.20 -1.19 121.20 123.63 3bhb s ILE 124 Ca 0.00 -0.54 -0.07 0.00 -1.41 0.00 0.00 60.65 58.64 3bhb s ILE 124 Cb 0.00 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.21 3bhb s ILE 124 CO 0.00 -0.11 0.16 0.00 -1.91 0.00 0.00 174.94 173.08 3bhb s ALA 125 N -0.63 -0.40 -0.03 1.50 0.00 -0.67 -0.52 121.76 121.00 3bhb s ALA 125 Ca -0.04 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 3bhb s ALA 125 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3bhb s ALA 125 CO -0.00 -0.12 0.87 -1.17 0.00 0.00 0.00 175.76 175.34 3bhb s LEU 126 N -0.38 4.34 1.14 0.00 2.96 -0.61 -0.27 118.68 125.86 3bhb s LEU 126 Ca -0.05 1.46 -0.17 0.00 -0.22 0.00 0.00 54.13 55.16 3bhb s LEU 126 Cb -0.03 -3.38 0.26 0.00 0.50 0.00 0.00 46.19 43.54 3bhb s LEU 126 CO 0.01 -0.22 1.11 -0.54 -1.32 0.00 0.00 176.35 175.39 3bhb s LYS 127 N 0.99 -0.72 0.39 1.98 1.02 -0.80 -4.62 119.74 117.99 3bhb s LYS 127 Ca 0.46 0.10 0.10 0.00 0.02 0.00 0.00 55.97 56.65 3bhb s LYS 127 Cb -0.20 -1.64 0.78 0.00 -0.52 0.00 0.00 37.83 36.25 3bhb s LYS 127 CO 0.24 -3.41 1.90 1.49 -0.92 0.00 0.00 175.35 174.64 3bhb h GLU 128 N -2.37 0.17 0.00 1.68 4.81 -1.90 -2.61 114.58 114.35 3bhb h GLU 128 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3bhb h GLU 128 Cb 1.31 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3bhb h GLU 128 CO 0.42 0.37 0.00 -0.40 -0.73 0.00 0.00 179.01 178.66 3bhb n ASP 129 N -4.24 0.18 -1.97 1.04 5.75 -1.26 -4.78 116.55 111.27 3bhb n ASP 129 Ca -0.01 0.54 -0.20 0.00 -0.01 0.00 0.00 54.79 55.10 3bhb n ASP 129 Cb 0.30 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 39.76 3bhb n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3bhb n LEU 130 N -1.69 -1.68 0.00 -2.12 4.77 -0.99 -4.81 117.00 110.48 3bhb n LEU 130 Ca 0.04 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3bhb n LEU 130 Cb 0.21 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 3bhb n LEU 130 CO 0.17 -0.67 -0.45 0.54 -1.33 0.00 0.00 177.39 175.65 3bhb n ARG 131 N -2.65 3.10 -4.47 3.23 1.74 -1.26 -4.60 116.66 111.74 3bhb n ARG 131 Ca -0.22 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.58 3bhb n ARG 131 Cb 0.68 -0.95 -0.09 0.00 -1.02 0.00 0.00 32.46 31.08 3bhb n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3bhb s SER 132 N -2.62 4.08 0.13 0.55 1.04 -1.26 -4.88 113.70 110.73 3bhb s SER 132 Ca 0.00 -1.30 0.10 0.00 0.48 0.00 0.00 55.95 55.22 3bhb s SER 132 Cb 0.00 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 3bhb s SER 132 CO 0.00 -0.52 -0.23 0.26 0.98 0.00 0.00 173.24 173.72 3bhb s TRP 133 N -2.69 2.04 -0.34 5.02 0.52 -1.26 -1.90 118.94 120.33 3bhb s TRP 133 Ca 0.35 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 56.03 3bhb s TRP 133 Cb 0.07 -1.09 0.06 0.00 -1.15 0.00 0.00 33.47 31.36 3bhb s TRP 133 CO 0.18 0.30 0.08 0.99 0.02 0.00 0.00 176.95 178.52 3bhb s THR 134 N -1.25 3.28 -0.24 2.01 2.01 0.62 -4.90 115.64 117.16 3bhb s THR 134 Ca 0.12 -1.50 -0.10 0.00 0.31 0.00 0.00 61.69 60.52 3bhb s THR 134 Cb -0.09 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 3bhb s THR 134 CO 0.06 -0.29 0.14 0.00 -0.69 0.00 0.00 174.62 173.84 3bhb s ALA 135 N 1.26 3.52 0.06 7.40 0.00 -1.26 -1.67 121.76 131.07 3bhb s ALA 135 Ca -0.01 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 3bhb s ALA 135 Cb -0.21 -2.26 -0.13 0.00 0.00 0.00 0.00 23.12 20.53 3bhb s ALA 135 CO -0.01 -0.22 1.34 0.00 0.00 0.00 0.00 175.76 176.88 3bhb h ALA 136 N 7.58 0.28 -3.66 0.00 0.00 -1.44 -3.46 119.26 118.56 3bhb h ALA 136 Ca -0.37 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 3bhb h ALA 136 Cb 1.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3bhb h ALA 136 CO 0.64 0.26 -0.09 -0.40 0.00 0.00 0.00 179.25 179.65 3bhb n ASP 137 N -4.41 0.69 0.22 0.00 5.68 -1.26 -5.04 116.55 112.43 3bhb n ASP 137 Ca -0.06 -1.44 0.10 0.00 -0.50 0.00 0.00 54.79 52.89 3bhb n ASP 137 Cb 0.44 0.24 0.45 0.00 -1.14 0.00 0.00 41.12 41.11 3bhb n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3bhb h MET 138 N 0.00 0.00 -0.20 0.11 2.86 -1.99 -0.83 114.93 114.89 3bhb h MET 138 Ca -0.06 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.38 3bhb h MET 138 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3bhb h MET 138 CO 0.09 0.24 -0.66 0.00 1.06 0.00 0.00 176.91 177.64 3bhb h ALA 139 N 1.76 0.45 0.00 6.32 0.00 -1.97 -2.94 119.26 122.88 3bhb h ALA 139 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 3bhb h ALA 139 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3bhb h ALA 139 CO 0.03 0.69 -0.62 0.00 0.00 0.00 0.00 179.25 179.35 3bhb h ALA 140 N 0.71 0.92 -0.18 0.00 0.00 -1.81 -2.98 119.26 115.92 3bhb h ALA 140 Ca -0.02 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3bhb h ALA 140 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3bhb h ALA 140 CO 0.14 0.77 -0.26 0.37 0.00 0.00 0.00 179.25 180.27 3bhb h GLN 141 N 0.00 0.33 -0.65 0.00 5.75 -1.09 -1.02 115.11 118.44 3bhb h GLN 141 Ca -0.01 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.29 3bhb h GLN 141 Cb 1.13 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 3bhb h GLN 141 CO 0.08 0.57 0.06 1.15 -2.65 0.00 0.00 178.83 178.03 3bhb h THR 142 N 0.29 1.27 -0.44 2.39 2.02 -1.36 -1.47 112.91 115.60 3bhb h THR 142 Ca 0.05 -1.10 -0.14 0.00 0.77 0.00 0.00 66.41 65.98 3bhb h THR 142 Cb 0.61 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3bhb h THR 142 CO 0.04 0.41 -0.29 0.74 0.37 0.00 0.00 175.52 176.79 3bhb h THR 143 N 1.01 1.27 -0.39 3.16 2.02 -1.39 -3.01 112.91 115.58 3bhb h THR 143 Ca 0.19 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 3bhb h THR 143 Cb 0.50 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3bhb h THR 143 CO 0.02 0.50 0.19 0.50 0.37 0.00 0.00 175.52 177.10 3bhb h LYS 144 N 0.82 0.57 -0.93 6.66 3.64 -0.92 -0.54 116.57 125.87 3bhb h LYS 144 Ca 0.09 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3bhb h LYS 144 Cb 0.88 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 3bhb h LYS 144 CO 0.08 0.50 0.62 0.45 -2.27 0.00 0.00 179.45 178.82 3bhb h HIS 145 N 0.50 1.17 -0.15 1.91 3.86 -1.28 -0.65 115.15 120.50 3bhb h HIS 145 Ca 0.14 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3bhb h HIS 145 Cb 0.11 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 3bhb h HIS 145 CO -0.01 0.72 -0.21 -0.22 0.86 0.00 0.00 177.93 179.07 3bhb h LYS 146 N 1.25 0.41 -0.04 2.45 3.64 -1.38 -2.78 116.57 120.13 3bhb h LYS 146 Ca 0.35 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 3bhb h LYS 146 Cb -0.12 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3bhb h LYS 146 CO -0.08 0.82 -0.44 -1.49 -2.27 0.00 0.00 179.45 175.98 3bhb h TRP 147 N 0.03 0.09 -0.00 1.91 4.06 -0.85 -1.68 115.95 119.52 3bhb h TRP 147 Ca 0.02 -0.03 -0.18 0.00 2.06 0.00 0.00 58.89 60.76 3bhb h TRP 147 Cb 0.77 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.89 3bhb h TRP 147 CO 0.09 0.51 -0.82 0.93 -3.56 0.00 0.00 178.44 175.60 3bhb h GLU 148 N 0.07 0.13 -0.01 0.49 5.08 -1.16 -2.13 114.58 117.04 3bhb h GLU 148 Ca 0.00 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 3bhb h GLU 148 Cb 0.81 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3bhb h GLU 148 CO 0.06 0.87 -0.81 0.00 -1.00 0.00 0.00 179.01 178.13 3bhb h ALA 149 N 1.09 0.61 -0.00 3.43 0.00 -1.24 -3.16 119.26 119.98 3bhb h ALA 149 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3bhb h ALA 149 Cb 1.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3bhb h ALA 149 CO 0.12 0.89 -0.14 0.00 0.00 0.00 0.00 179.25 180.12 3bhb n ALA 150 N -2.45 2.80 -3.60 0.00 0.00 -0.65 -4.95 120.51 111.66 3bhb n ALA 150 Ca -0.03 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 3bhb n ALA 150 Cb 0.76 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.97 3bhb n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3bhb n HIS 151 N -1.00 -2.56 -0.16 0.00 -0.00 -0.93 -4.95 115.22 105.62 3bhb n HIS 151 Ca 0.13 0.97 -0.09 0.00 -0.00 0.00 0.00 57.72 58.73 3bhb n HIS 151 Cb 0.29 -4.88 0.00 0.00 -0.00 0.00 0.00 29.99 25.40 3bhb n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3bhb h VAL 152 N -2.35 1.24 -0.95 1.59 2.07 -1.70 -3.21 116.25 112.93 3bhb h VAL 152 Ca -0.58 -0.82 0.16 0.00 0.82 0.00 0.00 66.70 66.28 3bhb h VAL 152 Cb 1.36 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 3bhb h VAL 152 CO 0.56 0.29 0.60 0.00 0.02 0.00 0.00 177.57 179.04 3bhb h ALA 153 N 0.98 1.77 -0.36 1.67 0.00 -1.89 -1.66 119.26 119.77 3bhb h ALA 153 Ca 0.15 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3bhb h ALA 153 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3bhb h ALA 153 CO 0.00 -0.06 -0.01 0.93 0.00 0.00 0.00 179.25 180.11 3bhb h GLU 154 N 0.74 0.57 -0.06 0.00 3.07 -1.80 0.92 114.58 118.01 3bhb h GLU 154 Ca 0.50 -0.13 -0.21 0.00 -0.50 0.00 0.00 59.36 59.02 3bhb h GLU 154 Cb 0.79 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 3bhb h GLU 154 CO -0.27 0.60 -0.81 1.96 -1.40 0.00 0.00 179.01 179.09 3bhb h GLN 155 N 0.54 0.48 -0.05 2.33 1.08 -1.43 -2.82 115.11 115.25 3bhb h GLN 155 Ca 0.11 -0.43 -0.19 0.00 -1.45 0.00 0.00 58.65 56.69 3bhb h GLN 155 Cb 0.36 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3bhb h GLN 155 CO 0.01 1.07 -0.79 -0.07 -0.95 0.00 0.00 178.83 178.10 3bhb h LEU 156 N 0.31 0.47 -0.77 1.46 3.38 -1.04 -3.23 115.31 115.88 3bhb h LEU 156 Ca -0.05 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3bhb h LEU 156 Cb 1.42 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3bhb h LEU 156 CO 0.15 1.09 0.25 -0.09 0.09 0.00 0.00 178.44 179.92 3bhb h ARG 157 N 0.25 1.18 -0.74 1.13 2.43 -0.80 -1.24 114.38 116.59 3bhb h ARG 157 Ca -0.04 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3bhb h ARG 157 Cb 1.39 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 3bhb h ARG 157 CO 0.13 0.99 0.29 0.00 -1.51 0.00 0.00 179.97 179.87 3bhb h ALA 158 N 1.13 1.12 0.17 2.80 0.00 -1.54 -2.19 119.26 120.76 3bhb h ALA 158 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3bhb h ALA 158 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3bhb h ALA 158 CO -0.01 0.63 -0.08 -0.92 0.00 0.00 0.00 179.25 178.87 3bhb h TYR 159 N 1.07 -0.21 -0.89 0.00 3.20 -1.51 -1.85 116.97 116.77 3bhb h TYR 159 Ca 0.25 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.19 3bhb h TYR 159 Cb 0.21 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3bhb h TYR 159 CO 0.02 0.23 0.58 -0.07 -1.64 0.00 0.00 178.16 177.27 3bhb h LEU 160 N -0.84 0.85 0.00 2.82 3.38 -1.21 0.18 115.31 120.49 3bhb h LEU 160 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3bhb h LEU 160 Cb 0.53 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3bhb h LEU 160 CO 0.04 0.53 -0.96 -0.62 0.09 0.00 0.00 178.44 177.52 3bhb n GLU 161 N -4.51 0.36 0.00 1.13 1.02 -0.83 -4.22 120.64 113.60 3bhb n GLU 161 Ca 0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3bhb n GLU 161 Cb 0.25 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3bhb n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bhb n GLY 162 N 1.32 0.31 0.34 0.62 0.00 -0.70 -4.76 105.19 102.32 3bhb n GLY 162 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3bhb n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bhb h THR 163 N 0.00 1.02 -0.27 2.61 2.02 -1.51 -1.98 112.91 114.79 3bhb h THR 163 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3bhb h THR 163 Cb 0.00 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 3bhb h THR 163 CO 0.00 0.18 0.18 0.00 0.37 0.00 0.00 175.52 176.25 3bhb h VAL 165 N 0.36 1.26 -0.74 0.00 2.07 -1.68 -2.01 116.25 115.52 3bhb h VAL 165 Ca 0.10 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 3bhb h VAL 165 Cb -0.04 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3bhb h VAL 165 CO -0.02 0.38 0.29 -0.33 0.02 0.00 0.00 177.57 177.91 3bhb h GLU 166 N 0.74 1.11 0.00 1.57 4.39 -1.12 -2.25 114.58 119.01 3bhb h GLU 166 Ca 0.14 -0.20 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 3bhb h GLU 166 Cb 0.53 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3bhb h GLU 166 CO 0.03 0.91 -0.61 -1.49 -1.16 0.00 0.00 179.01 176.68 3bhb h TRP 167 N 1.06 0.00 -0.24 4.33 4.06 -1.22 -2.79 115.95 121.16 3bhb h TRP 167 Ca 0.25 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.11 3bhb h TRP 167 Cb 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 3bhb h TRP 167 CO 0.02 0.61 -0.17 1.25 -3.56 0.00 0.00 178.44 176.59 3bhb h LEU 168 N 0.00 0.57 -1.26 -4.49 5.85 -1.21 -2.19 115.31 112.57 3bhb h LEU 168 Ca -0.01 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 3bhb h LEU 168 Cb 1.45 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3bhb h LEU 168 CO 0.08 0.89 0.03 0.03 -0.34 0.00 0.00 178.44 179.13 3bhb h ARG 169 N 0.25 0.53 -0.16 1.25 3.08 -1.43 -0.88 114.38 117.03 3bhb h ARG 169 Ca 0.05 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3bhb h ARG 169 Cb 0.71 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3bhb h ARG 169 CO 0.05 0.53 0.00 -0.09 -1.07 0.00 0.00 179.97 179.39 3bhb h ARG 170 N 0.51 0.28 -0.48 0.04 2.43 -1.37 -2.41 114.38 113.37 3bhb h ARG 170 Ca 0.11 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3bhb h ARG 170 Cb 0.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3bhb h ARG 170 CO 0.01 0.50 0.21 1.88 -1.51 0.00 0.00 179.97 181.05 3bhb h TYR 171 N 0.03 0.72 -0.22 2.20 0.05 -1.07 -0.29 116.97 118.39 3bhb h TYR 171 Ca 0.05 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3bhb h TYR 171 Cb 0.37 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3bhb h TYR 171 CO 0.03 0.60 0.15 -0.07 -1.05 0.00 0.00 178.16 177.82 3bhb h LEU 172 N 0.64 0.21 0.06 3.88 3.38 -1.14 0.59 115.31 122.93 3bhb h LEU 172 Ca 0.16 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 3bhb h LEU 172 Cb 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3bhb h LEU 172 CO -0.02 0.15 -0.56 -0.08 0.09 0.00 0.00 178.44 178.02 3bhb h GLU 173 N 0.24 0.13 -0.01 1.13 4.57 -0.94 -2.40 114.58 117.30 3bhb h GLU 173 Ca 0.09 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3bhb h GLU 173 Cb 0.06 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3bhb h GLU 173 CO -0.02 1.11 -0.18 -0.91 -1.18 0.00 0.00 179.01 177.83 3bhb h ASN 174 N -0.70 0.02 -0.29 1.04 2.35 -0.78 -2.63 115.58 114.58 3bhb h ASN 174 Ca -0.12 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3bhb h ASN 174 Cb 1.34 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 3bhb h ASN 174 CO 0.04 0.21 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 3bhb n GLY 175 N -0.99 3.97 0.42 2.83 0.00 0.17 -4.79 105.19 106.80 3bhb n GLY 175 Ca -0.02 -1.04 0.25 0.00 0.00 0.00 0.00 46.02 45.21 3bhb n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bhb h LYS 176 N 1.99 0.32 -0.81 1.61 2.10 -1.03 0.11 116.57 120.86 3bhb h LYS 176 Ca 0.01 -0.02 0.19 0.00 -2.00 0.00 0.00 60.65 58.83 3bhb h LYS 176 Cb 1.51 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 32.71 3bhb h LYS 176 CO 0.26 0.21 0.55 1.49 -2.00 0.00 0.00 179.45 179.96 3bhb h GLU 177 N 0.33 0.30 0.00 0.07 4.81 -1.86 -1.98 114.58 116.25 3bhb h GLU 177 Ca 0.60 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.68 3bhb h GLU 177 Cb 1.64 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.93 3bhb h GLU 177 CO -0.27 0.20 -1.26 0.25 -0.73 0.00 0.00 179.01 177.20 3bhb n THR 178 N -4.45 0.85 -0.04 0.32 -2.24 -0.76 -4.47 114.28 103.49 3bhb n THR 178 Ca 0.17 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 3bhb n THR 178 Cb 0.67 -1.73 0.52 0.00 -2.10 0.00 0.00 70.33 67.68 3bhb n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3bhb h LEU 179 N -0.41 0.32 -2.98 3.22 3.38 -0.83 -1.85 115.31 116.16 3bhb h LEU 179 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3bhb h LEU 179 Cb 0.99 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3bhb h LEU 179 CO -0.12 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3bhb n GLN 180 N -4.47 3.05 -3.47 1.13 6.02 -0.75 -4.92 117.38 113.98 3bhb n GLN 180 Ca 0.08 -2.46 -0.38 0.00 -0.01 0.00 0.00 57.00 54.23 3bhb n GLN 180 Cb 0.32 -1.55 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 3bhb n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3bhb s ARG 181 N -1.48 4.15 -0.27 -1.09 3.52 -0.70 -5.02 118.95 118.07 3bhb s ARG 181 Ca 0.36 0.07 -0.11 0.00 -0.13 0.00 0.00 55.73 55.92 3bhb s ARG 181 Cb 0.22 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 3bhb s ARG 181 CO 0.19 0.01 0.20 0.95 -0.81 0.00 0.00 175.30 175.85 3bhb s THR 182 N 1.17 5.31 -0.48 4.11 -4.23 -1.26 -4.87 115.64 115.39 3bhb s THR 182 Ca 0.16 0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.73 3bhb s THR 182 Cb -0.14 -3.54 0.08 0.00 1.34 0.00 0.00 72.50 70.24 3bhb s THR 182 CO 0.07 0.26 0.40 -1.81 -0.54 0.00 0.00 174.62 173.00 3bhb s ASP 183 N 1.59 6.09 0.38 3.99 1.01 -0.64 -4.86 116.67 124.24 3bhb s ASP 183 Ca 0.08 -1.44 -0.27 0.00 0.71 0.00 0.00 52.55 51.62 3bhb s ASP 183 Cb -0.15 -2.16 -0.09 0.00 1.01 0.00 0.00 42.92 41.52 3bhb s ASP 183 CO 0.10 -0.67 1.33 0.00 0.21 0.00 0.00 175.17 176.13 3bhb s ALA 184 N 1.60 3.37 0.35 5.23 0.00 -1.26 -1.76 121.76 129.29 3bhb s ALA 184 Ca 0.04 1.29 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 3bhb s ALA 184 Cb -0.25 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.25 3bhb s ALA 184 CO 0.05 -0.81 1.49 -1.25 0.00 0.00 0.00 175.76 175.23 3bhb s PRO 185 N -2.10 4.15 -0.43 0.00 0.04 -1.26 -4.70 135.00 130.70 3bhb s PRO 185 Ca 0.54 2.52 -0.23 0.00 0.04 0.00 0.00 61.00 63.86 3bhb s PRO 185 Cb -0.40 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.16 3bhb s PRO 185 CO 0.52 -0.51 0.80 0.15 0.04 0.00 0.00 177.00 178.00 3bhb s LYS 186 N -1.63 3.50 0.05 4.56 1.02 0.12 -4.82 119.74 122.54 3bhb s LYS 186 Ca 0.55 0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.60 3bhb s LYS 186 Cb -0.46 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 32.91 3bhb s LYS 186 CO 0.58 -1.07 -0.02 0.95 -0.92 0.00 0.00 175.35 174.86 3bhb s THR 187 N 3.30 3.90 0.14 2.17 -4.23 -1.26 -0.96 115.64 118.70 3bhb s THR 187 Ca 0.31 -0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 59.69 3bhb s THR 187 Cb -0.12 -2.80 0.07 0.00 1.34 0.00 0.00 72.50 70.99 3bhb s THR 187 CO 0.22 0.23 0.69 -1.38 -0.54 0.00 0.00 174.62 173.84 3bhb s HIS 188 N -1.18 -0.44 -0.04 3.99 -3.43 -1.19 -5.02 115.29 107.97 3bhb s HIS 188 Ca 0.22 0.21 0.07 0.00 -0.80 0.00 0.00 55.06 54.76 3bhb s HIS 188 Cb -0.11 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.60 3bhb s HIS 188 CO 0.14 -0.84 -0.24 1.41 -2.00 0.00 0.00 174.74 173.21 3bhb s MET 189 N -3.63 2.25 0.24 -0.38 1.75 -1.26 -1.06 119.30 117.22 3bhb s MET 189 Ca 0.03 -0.87 0.08 0.00 -1.25 0.00 0.00 55.69 53.69 3bhb s MET 189 Cb -0.02 -2.01 -0.04 0.00 2.84 0.00 0.00 34.83 35.60 3bhb s MET 189 CO -0.09 0.43 0.06 0.95 -0.65 0.00 0.00 175.02 175.72 3bhb s THR 190 N -0.31 3.82 -0.08 10.11 -4.23 -0.41 -4.96 115.64 119.58 3bhb s THR 190 Ca 0.02 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3bhb s THR 190 Cb -0.12 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.71 3bhb s THR 190 CO 0.02 -0.32 -0.07 -2.28 -0.54 0.00 0.00 174.62 171.42 3bhb s HIS 191 N -2.16 1.22 -0.12 3.99 2.46 -1.26 -1.81 115.29 117.61 3bhb s HIS 191 Ca 0.31 -0.50 -0.00 0.00 0.47 0.00 0.00 55.06 55.34 3bhb s HIS 191 Cb -0.07 -1.01 0.02 0.00 -0.13 0.00 0.00 32.58 31.39 3bhb s HIS 191 CO 0.21 -0.36 -0.09 -1.01 -2.47 0.00 0.00 174.74 171.03 3bhb s HIS 192 N 1.29 1.61 -0.07 3.88 3.76 -0.18 -5.00 115.29 120.58 3bhb s HIS 192 Ca -0.04 -0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 53.75 3bhb s HIS 192 Cb -0.14 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 3bhb s HIS 192 CO -0.03 -0.54 1.16 0.00 -0.85 0.00 0.00 174.74 174.49 3bhb s ALA 193 N 1.66 3.49 -0.11 -1.40 0.00 -1.26 -0.11 121.76 124.02 3bhb s ALA 193 Ca 0.05 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.61 3bhb s ALA 193 Cb -0.13 -3.51 -0.24 0.00 0.00 0.00 0.00 23.12 19.25 3bhb s ALA 193 CO -0.09 -0.76 0.38 0.28 0.00 0.00 0.00 175.76 175.57 3bhb n VAL 194 N 4.66 1.64 -3.24 0.00 0.31 -0.93 -4.93 118.33 115.85 3bhb n VAL 194 Ca 0.11 -0.72 -0.02 0.00 -0.01 0.00 0.00 64.34 63.69 3bhb n VAL 194 Cb 0.47 -1.30 0.01 0.00 -0.91 0.00 0.00 33.84 32.10 3bhb n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3bhb n SER 195 N -3.21 -0.56 0.24 4.52 3.41 -0.98 -4.98 113.62 112.05 3bhb n SER 195 Ca -0.28 -1.41 0.13 0.00 -0.26 0.00 0.00 58.87 57.06 3bhb n SER 195 Cb 1.06 0.94 0.39 0.00 -0.26 0.00 0.00 64.21 66.34 3bhb n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bhb h ASP 196 N 0.50 0.00 0.00 4.04 3.32 -2.03 -3.31 116.42 118.94 3bhb h ASP 196 Ca -0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3bhb h ASP 196 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3bhb h ASP 196 CO 0.11 0.04 -1.86 0.00 -1.72 0.00 0.00 179.24 175.81 3bhb n HIS 197 N -3.12 0.00 -4.24 4.55 1.44 -1.26 -4.81 115.22 107.77 3bhb n HIS 197 Ca 0.02 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.56 3bhb n HIS 197 Cb 0.44 -0.49 -0.11 0.00 0.12 0.00 0.00 29.99 29.96 3bhb n HIS 197 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3bhb s GLU 198 N -2.98 1.03 0.03 -1.40 -1.05 -1.25 -0.56 118.70 112.51 3bhb s GLU 198 Ca -0.07 -1.29 -0.09 0.00 -0.15 0.00 0.00 54.97 53.38 3bhb s GLU 198 Cb 0.09 -0.83 0.00 0.00 -0.44 0.00 0.00 34.13 32.96 3bhb s GLU 198 CO 0.70 0.15 0.18 0.00 0.95 0.00 0.00 175.26 177.23 3bhb s ALA 199 N -2.43 -0.34 -0.22 -0.84 0.00 0.16 -2.18 121.76 115.91 3bhb s ALA 199 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 3bhb s ALA 199 Cb -0.03 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3bhb s ALA 199 CO 0.02 -0.31 0.07 0.99 0.00 0.00 0.00 175.76 176.53 3bhb s THR 200 N -2.22 4.53 -0.21 0.00 2.01 0.85 -0.50 115.64 120.10 3bhb s THR 200 Ca -0.08 -0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 3bhb s THR 200 Cb -0.03 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3bhb s THR 200 CO -0.02 0.39 0.02 -0.76 -0.69 0.00 0.00 174.62 173.56 3bhb s LEU 201 N 1.05 3.31 -0.21 4.42 1.02 -0.46 -1.01 118.68 126.80 3bhb s LEU 201 Ca 0.04 -0.20 -0.02 0.00 0.02 0.00 0.00 54.13 53.98 3bhb s LEU 201 Cb -0.14 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.22 3bhb s LEU 201 CO 0.03 0.04 -0.11 -0.60 0.02 0.00 0.00 176.35 175.73 3bhb s ARG 202 N 1.15 3.16 -0.37 1.70 3.52 -0.75 -1.32 118.95 126.04 3bhb s ARG 202 Ca 0.03 -0.75 -0.17 0.00 -0.13 0.00 0.00 55.73 54.71 3bhb s ARG 202 Cb -0.14 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 3bhb s ARG 202 CO 0.02 -0.22 0.45 0.00 -0.81 0.00 0.00 175.30 174.74 3bhb s TRP 204 N 2.23 3.55 -0.20 0.00 0.52 -0.22 -1.77 118.94 123.04 3bhb s TRP 204 Ca 0.15 0.48 -0.03 0.00 0.02 0.00 0.00 56.10 56.72 3bhb s TRP 204 Cb -0.16 -1.93 0.06 0.00 -1.15 0.00 0.00 33.47 30.30 3bhb s TRP 204 CO 0.13 0.59 0.06 0.00 0.02 0.00 0.00 176.95 177.75 3bhb s ALA 205 N -1.38 0.90 0.20 0.98 0.00 -0.49 -3.19 121.76 118.78 3bhb s ALA 205 Ca 0.30 -0.70 0.10 0.00 0.00 0.00 0.00 51.96 51.66 3bhb s ALA 205 Cb -0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3bhb s ALA 205 CO 0.19 -1.23 -0.21 -0.51 0.00 0.00 0.00 175.76 174.00 3bhb s LEU 206 N 1.91 2.47 -1.45 0.00 1.43 -0.14 -1.98 118.68 120.94 3bhb s LEU 206 Ca 0.01 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.13 3bhb s LEU 206 Cb -0.17 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.07 3bhb s LEU 206 CO -0.11 0.04 0.77 -0.24 0.23 0.00 0.00 176.35 177.04 3bhb n SER 207 N 0.07 -2.61 -4.82 2.29 2.88 -1.14 0.10 113.62 110.38 3bhb n SER 207 Ca -0.11 -0.85 -0.24 0.00 -1.33 0.00 0.00 58.87 56.34 3bhb n SER 207 Cb 0.57 -3.71 -0.05 0.00 -0.75 0.00 0.00 64.21 60.27 3bhb n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3bhb s PHE 208 N -3.54 3.15 -0.19 0.66 -0.12 -1.03 -4.76 117.98 112.15 3bhb s PHE 208 Ca 0.32 -0.05 -0.10 0.00 -0.05 0.00 0.00 56.93 57.05 3bhb s PHE 208 Cb -0.16 -1.47 0.06 0.00 -0.63 0.00 0.00 43.02 40.82 3bhb s PHE 208 CO 0.84 0.52 0.44 -0.47 -0.05 0.00 0.00 175.22 176.50 3bhb s TYR 209 N -1.93 -0.68 1.09 3.49 5.04 -0.72 -0.77 117.35 122.88 3bhb s TYR 209 Ca 0.32 1.41 -0.15 0.00 -2.44 0.00 0.00 57.07 56.21 3bhb s TYR 209 Cb -0.09 0.32 0.23 0.00 0.35 0.00 0.00 41.96 42.77 3bhb s TYR 209 CO 0.24 -0.38 1.11 -1.25 -1.34 0.00 0.00 175.55 173.93 3bhb s PRO 210 N 1.52 -0.30 0.49 4.97 0.04 -1.26 -1.62 135.00 138.84 3bhb s PRO 210 Ca -0.09 0.23 0.23 0.00 0.04 0.00 0.00 61.00 61.40 3bhb s PRO 210 Cb -0.08 -1.68 1.26 0.00 0.04 0.00 0.00 34.50 34.04 3bhb s PRO 210 CO -0.14 -3.16 2.02 0.00 0.04 0.00 0.00 177.00 175.77 3bhb h ALA 211 N -2.19 1.39 -2.24 8.56 0.00 -1.96 -3.44 119.26 119.36 3bhb h ALA 211 Ca -0.50 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 53.71 3bhb h ALA 211 Cb 1.32 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3bhb h ALA 211 CO 0.48 0.20 1.31 -2.00 0.00 0.00 0.00 179.25 179.24 3bhb s GLU 212 N -4.29 3.84 0.05 0.00 2.56 -1.26 -4.97 118.70 114.63 3bhb s GLU 212 Ca -0.03 2.44 -0.21 0.00 0.00 0.00 0.00 54.97 57.17 3bhb s GLU 212 Cb 0.14 -4.23 0.05 0.00 2.00 0.00 0.00 34.13 32.09 3bhb s GLU 212 CO 0.63 -1.30 0.48 -1.50 -0.56 0.00 0.00 175.26 173.01 3bhb s ILE 213 N 5.62 0.04 -0.08 -3.70 2.07 -1.26 -4.65 121.20 119.23 3bhb s ILE 213 Ca 0.92 -0.32 -0.00 0.00 -1.41 0.00 0.00 60.65 59.84 3bhb s ILE 213 Cb -0.40 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.24 3bhb s ILE 213 CO 0.40 -0.18 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.32 3bhb s THR 214 N -2.53 0.65 -0.21 4.00 2.01 -0.87 -5.01 115.64 113.68 3bhb s THR 214 Ca -0.05 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3bhb s THR 214 Cb -0.01 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.81 3bhb s THR 214 CO -0.02 0.29 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.28 3bhb s LEU 215 N 1.57 2.54 0.02 4.42 1.02 -1.26 -1.34 118.68 125.65 3bhb s LEU 215 Ca -0.00 -0.80 0.05 0.00 0.02 0.00 0.00 54.13 53.40 3bhb s LEU 215 Cb -0.13 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 3bhb s LEU 215 CO -0.04 -0.05 -0.16 0.42 0.02 0.00 0.00 176.35 176.53 3bhb s THR 216 N 1.27 1.30 -0.11 5.49 -4.23 -0.47 -4.99 115.64 113.89 3bhb s THR 216 Ca 0.02 -0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 3bhb s THR 216 Cb -0.15 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 3bhb s THR 216 CO -0.10 0.18 0.04 0.26 -0.54 0.00 0.00 174.62 174.46 3bhb s TRP 217 N -0.65 3.25 0.02 3.99 0.52 -1.26 -0.17 118.94 124.63 3bhb s TRP 217 Ca 0.05 0.21 0.05 0.00 0.02 0.00 0.00 56.10 56.43 3bhb s TRP 217 Cb -0.07 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3bhb s TRP 217 CO 0.01 0.44 -0.15 -0.65 0.02 0.00 0.00 176.95 176.62 3bhb s GLN 218 N -0.64 1.07 -0.17 4.98 -0.21 0.22 -1.61 119.66 123.29 3bhb s GLN 218 Ca 0.11 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.83 3bhb s GLN 218 Cb -0.12 -1.07 0.02 0.00 1.00 0.00 0.00 33.01 32.85 3bhb s GLN 218 CO 0.02 0.28 -0.16 0.50 -2.12 0.00 0.00 175.29 173.81 3bhb s ARG 219 N -0.79 2.50 -1.52 2.91 3.52 0.52 -1.10 118.95 124.99 3bhb s ARG 219 Ca 0.04 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.83 3bhb s ARG 219 Cb -0.07 -2.30 0.08 0.00 -1.56 0.00 0.00 34.95 31.10 3bhb s ARG 219 CO 0.01 -0.25 0.86 -0.25 -0.81 0.00 0.00 175.30 174.85 3bhb n ASP 220 N 4.71 -3.63 0.00 -2.12 8.00 -0.65 -1.90 116.55 120.95 3bhb n ASP 220 Ca -0.18 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.48 3bhb n ASP 220 Cb 0.50 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 3bhb n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bhb n GLY 221 N -1.65 2.03 3.54 0.44 0.00 -1.26 -5.04 105.19 103.25 3bhb n GLY 221 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3bhb n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bhb s GLU 222 N -0.26 1.97 0.50 1.61 2.12 -0.80 -5.06 118.70 118.78 3bhb s GLU 222 Ca 0.00 -1.11 -0.23 0.00 0.36 0.00 0.00 54.97 53.99 3bhb s GLU 222 Cb 0.00 -2.21 -0.06 0.00 0.26 0.00 0.00 34.13 32.11 3bhb s GLU 222 CO 0.00 0.49 1.36 -0.51 -0.54 0.00 0.00 175.26 176.06 3bhb s ASP 223 N -2.23 5.61 -0.12 -1.70 1.01 -1.26 -0.35 116.67 117.63 3bhb s ASP 223 Ca 0.20 2.77 0.00 0.00 0.71 0.00 0.00 52.55 56.24 3bhb s ASP 223 Cb -0.11 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.21 3bhb s ASP 223 CO 0.12 -1.34 -0.11 -1.58 0.21 0.00 0.00 175.17 172.48 3bhb s GLN 224 N -2.69 1.83 -0.24 8.23 0.74 -0.64 -4.77 119.66 122.12 3bhb s GLN 224 Ca 0.66 -0.39 -0.00 0.00 0.05 0.00 0.00 55.36 55.68 3bhb s GLN 224 Cb -0.40 -1.73 -0.18 0.00 1.10 0.00 0.00 33.01 31.79 3bhb s GLN 224 CO 0.50 -0.20 -0.16 2.41 -0.55 0.00 0.00 175.29 177.29 3bhb n THR 225 N 4.68 1.53 -1.96 -0.34 -1.04 -1.26 -4.64 114.28 111.25 3bhb n THR 225 Ca -0.16 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.05 60.88 3bhb n THR 225 Cb 0.50 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.51 3bhb n THR 225 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3bhb s GLN 226 N -2.52 4.23 -1.46 -2.82 1.11 -1.26 -3.60 119.66 113.34 3bhb s GLN 226 Ca -0.34 2.39 -0.09 0.00 0.01 0.00 0.00 55.36 57.34 3bhb s GLN 226 Cb 0.09 -3.03 0.03 0.00 -1.01 0.00 0.00 33.01 29.10 3bhb s GLN 226 CO 0.62 -0.37 0.87 -0.25 0.01 0.00 0.00 175.29 176.17 3bhb n ASP 227 N 0.78 -5.62 -4.51 5.90 8.00 -1.26 -4.90 116.55 114.94 3bhb n ASP 227 Ca 0.01 -0.50 -0.24 0.00 0.71 0.00 0.00 54.79 54.77 3bhb n ASP 227 Cb 0.40 -4.50 -0.09 0.00 -0.02 0.00 0.00 41.12 36.91 3bhb n ASP 227 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3bhb s THR 228 N -3.22 2.70 -0.05 -3.53 -4.23 -1.24 -1.77 115.64 104.30 3bhb s THR 228 Ca 0.50 -2.28 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 3bhb s THR 228 Cb -0.23 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.20 3bhb s THR 228 CO 0.61 -0.39 0.14 -0.70 -0.54 0.00 0.00 174.62 173.75 3bhb s GLU 229 N -3.52 0.15 -0.14 3.99 2.12 -0.91 -4.99 118.70 115.40 3bhb s GLU 229 Ca 0.30 0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.80 3bhb s GLU 229 Cb -0.05 0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.45 3bhb s GLU 229 CO 0.16 -0.04 0.19 -1.17 -0.54 0.00 0.00 175.26 173.86 3bhb s LEU 230 N 0.20 -0.08 0.49 2.70 2.96 -1.26 -0.63 118.68 123.07 3bhb s LEU 230 Ca -0.01 0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.85 3bhb s LEU 230 Cb -0.02 0.32 -0.07 0.00 0.50 0.00 0.00 46.19 46.92 3bhb s LEU 230 CO -0.01 -0.28 0.92 0.68 -1.32 0.00 0.00 176.35 176.34 3bhb s VAL 231 N 2.31 4.64 0.62 1.68 -7.23 -1.16 -5.05 120.40 116.21 3bhb s VAL 231 Ca 0.04 0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 61.04 3bhb s VAL 231 Cb -0.14 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 3bhb s VAL 231 CO -0.09 -0.70 1.06 -1.83 -0.31 0.00 0.00 175.10 173.23 3bhb s GLU 232 N -4.16 3.21 0.13 4.82 -1.05 -1.26 -4.54 118.70 115.86 3bhb s GLU 232 Ca 0.56 1.15 -0.31 0.00 -0.15 0.00 0.00 54.97 56.22 3bhb s GLU 232 Cb -0.10 -2.02 -0.10 0.00 -0.44 0.00 0.00 34.13 31.46 3bhb s GLU 232 CO 0.34 -0.89 1.83 0.99 0.95 0.00 0.00 175.26 178.48 3bhb s THR 233 N -2.59 2.49 0.10 1.83 2.01 -1.26 -4.82 115.64 113.40 3bhb s THR 233 Ca 0.62 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.75 3bhb s THR 233 Cb -0.16 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3bhb s THR 233 CO 0.41 0.00 -0.23 0.00 -0.69 0.00 0.00 174.62 174.11 3bhb s ARG 234 N 2.66 1.28 0.17 4.92 1.70 -0.50 -4.96 118.95 124.22 3bhb s ARG 234 Ca 0.81 -1.21 -0.29 0.00 -0.47 0.00 0.00 55.73 54.57 3bhb s ARG 234 Cb -0.46 -1.62 -0.08 0.00 -0.57 0.00 0.00 34.95 32.22 3bhb s ARG 234 CO 0.36 0.38 0.90 -1.25 -1.08 0.00 0.00 175.30 174.61 3bhb s PRO 235 N -1.87 4.72 0.42 3.89 0.04 -1.26 0.08 135.00 141.01 3bhb s PRO 235 Ca 0.10 1.37 0.23 0.00 0.04 0.00 0.00 61.00 62.74 3bhb s PRO 235 Cb -0.10 -3.31 0.59 0.00 0.04 0.00 0.00 34.50 31.72 3bhb s PRO 235 CO 0.05 0.42 1.69 0.00 0.04 0.00 0.00 177.00 179.19 3bhb h ALA 236 N 4.74 0.92 0.00 8.56 0.00 -1.16 -3.46 119.26 128.85 3bhb h ALA 236 Ca -0.45 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3bhb h ALA 236 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3bhb h ALA 236 CO 0.69 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.60 3bhb n GLY 237 N 0.70 1.92 1.35 0.00 0.00 -1.26 -4.92 105.19 102.97 3bhb n GLY 237 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3bhb n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bhb n ASP 238 N 0.00 4.46 0.00 1.61 5.75 -1.26 -4.92 116.55 122.19 3bhb n ASP 238 Ca 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 3bhb n ASP 238 Cb 0.00 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 3bhb n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bhb n GLY 239 N 0.62 2.16 4.00 6.12 0.00 -1.26 -5.07 105.19 111.77 3bhb n GLY 239 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 3bhb n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bhb s THR 240 N -2.60 2.61 0.19 2.61 -4.23 -1.26 -4.91 115.64 108.05 3bhb s THR 240 Ca 0.00 -0.84 0.08 0.00 -1.18 0.00 0.00 61.69 59.75 3bhb s THR 240 Cb 0.00 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3bhb s THR 240 CO 0.00 0.00 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.56 3bhb s PHE 241 N -2.65 1.78 0.13 3.99 0.40 0.05 -0.59 117.98 121.10 3bhb s PHE 241 Ca 0.59 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.45 3bhb s PHE 241 Cb -0.09 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 3bhb s PHE 241 CO 0.37 0.37 -0.12 -0.65 0.70 0.00 0.00 175.22 175.89 3bhb s GLN 242 N -3.31 1.04 -0.10 0.44 -0.21 0.11 -2.47 119.66 115.15 3bhb s GLN 242 Ca 0.20 -1.34 -0.30 0.00 0.02 0.00 0.00 55.36 53.95 3bhb s GLN 242 Cb -0.03 -0.76 0.12 0.00 1.00 0.00 0.00 33.01 33.34 3bhb s GLN 242 CO 0.07 0.12 0.97 0.21 -2.12 0.00 0.00 175.29 174.55 3bhb s LYS 243 N -3.18 0.66 0.04 2.91 2.20 -0.84 -1.41 119.74 120.11 3bhb s LYS 243 Ca 0.12 -0.05 -0.13 0.00 -0.36 0.00 0.00 55.97 55.55 3bhb s LYS 243 Cb -0.01 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 3bhb s LYS 243 CO 0.02 -0.25 0.28 1.67 -0.36 0.00 0.00 175.35 176.72 3bhb s TRP 244 N -2.00 -0.08 -0.04 4.03 1.48 -1.26 -1.39 118.94 119.67 3bhb s TRP 244 Ca 0.02 -0.04 0.01 0.00 -1.06 0.00 0.00 56.10 55.03 3bhb s TRP 244 Cb -0.01 0.07 0.02 0.00 -1.16 0.00 0.00 33.47 32.40 3bhb s TRP 244 CO -0.03 -0.47 -0.03 0.00 -4.06 0.00 0.00 176.95 172.36 3bhb s ALA 245 N -2.39 0.55 0.32 2.67 0.00 -0.73 -2.98 121.76 119.20 3bhb s ALA 245 Ca -0.06 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.02 3bhb s ALA 245 Cb -0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 3bhb s ALA 245 CO -0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 175.76 175.60 3bhb s ALA 246 N 0.93 2.93 -0.14 0.00 0.00 0.20 -0.19 121.76 125.50 3bhb s ALA 246 Ca -0.11 -2.00 -0.12 0.00 0.00 0.00 0.00 51.96 49.73 3bhb s ALA 246 Cb -0.14 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.84 3bhb s ALA 246 CO -0.00 0.15 0.36 0.54 0.00 0.00 0.00 175.76 176.81 3bhb s VAL 247 N -2.56 -0.00 -0.25 0.00 0.11 -0.43 -2.15 120.40 115.12 3bhb s VAL 247 Ca 0.32 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.23 3bhb s VAL 247 Cb -0.00 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 3bhb s VAL 247 CO 0.16 0.01 0.43 -0.69 -3.33 0.00 0.00 175.10 171.69 3bhb s VAL 248 N 0.39 5.14 0.18 2.04 1.01 -0.73 -1.36 120.40 127.07 3bhb s VAL 248 Ca -0.02 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.77 3bhb s VAL 248 Cb -0.04 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3bhb s VAL 248 CO -0.02 0.15 -0.17 0.68 0.00 0.00 0.00 175.10 175.75 3bhb s VAL 249 N 1.97 1.80 0.20 2.92 -7.23 0.34 -4.94 120.40 115.46 3bhb s VAL 249 Ca 0.18 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 3bhb s VAL 249 Cb -0.15 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 3bhb s VAL 249 CO 0.09 -0.41 1.06 -2.84 -0.31 0.00 0.00 175.10 172.69 3bhb s PRO 250 N -3.07 4.65 0.15 4.82 0.02 -1.26 -0.67 135.00 139.65 3bhb s PRO 250 Ca 0.18 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 3bhb s PRO 250 Cb -0.04 -3.27 -0.11 0.00 0.02 0.00 0.00 34.50 31.10 3bhb s PRO 250 CO 0.07 0.18 1.73 0.45 -0.33 0.00 0.00 177.00 179.10 3bhb s SER 251 N -0.40 6.46 0.00 2.53 0.15 0.27 -1.83 113.70 120.88 3bhb s SER 251 Ca 0.47 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.86 3bhb s SER 251 Cb -0.29 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 3bhb s SER 251 CO 0.35 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.45 3bhb n GLY 252 N 4.03 0.35 0.58 9.45 0.00 -1.26 -4.93 105.19 113.42 3bhb n GLY 252 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3bhb n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bhb n GLN 253 N -1.57 2.54 -0.10 1.61 1.13 -0.76 -4.73 117.38 115.49 3bhb n GLN 253 Ca 0.00 -2.53 0.13 0.00 -1.94 0.00 0.00 57.00 52.65 3bhb n GLN 253 Cb 0.00 -1.60 0.50 0.00 0.11 0.00 0.00 30.24 29.25 3bhb n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3bhb h GLU 254 N 1.27 0.41 -0.29 -1.09 3.07 -1.92 -2.68 114.58 113.34 3bhb h GLU 254 Ca 0.00 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3bhb h GLU 254 Cb 1.14 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 3bhb h GLU 254 CO 0.11 0.27 0.20 0.37 -1.40 0.00 0.00 179.01 178.56 3bhb h GLN 255 N 0.42 0.20 0.00 2.33 4.15 -1.95 -2.16 115.11 118.11 3bhb h GLN 255 Ca 0.30 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 3bhb h GLN 255 Cb 0.60 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 3bhb h GLN 255 CO -0.09 0.13 -0.10 0.00 -1.93 0.00 0.00 178.83 176.85 3bhb h ARG 256 N 0.21 0.00 -5.66 1.69 3.08 -1.87 -3.45 114.38 108.38 3bhb h ARG 256 Ca 0.13 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.59 3bhb h ARG 256 Cb 0.24 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 3bhb h ARG 256 CO -0.02 0.10 -0.23 0.71 -1.07 0.00 0.00 179.97 179.46 3bhb s TYR 257 N -3.84 3.52 -0.02 3.04 1.51 -0.81 -1.64 117.35 119.11 3bhb s TYR 257 Ca -0.01 0.77 0.03 0.00 -1.01 0.00 0.00 57.07 56.86 3bhb s TYR 257 Cb 0.11 -2.42 -0.00 0.00 -0.11 0.00 0.00 41.96 39.53 3bhb s TYR 257 CO 0.57 0.27 -0.12 0.95 -1.11 0.00 0.00 175.55 176.11 3bhb s THR 258 N 0.32 0.96 -0.22 -0.71 -4.23 -0.25 -4.38 115.64 107.12 3bhb s THR 258 Ca 0.21 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.15 3bhb s THR 258 Cb -0.14 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 3bhb s THR 258 CO 0.08 0.28 0.08 0.00 -0.54 0.00 0.00 174.62 174.52 3bhb s HIS 260 N 0.94 3.00 -0.17 0.00 3.76 0.76 -1.29 115.29 122.29 3bhb s HIS 260 Ca 0.05 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.34 3bhb s HIS 260 Cb -0.14 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.46 3bhb s HIS 260 CO 0.03 -0.32 -0.08 0.08 -0.85 0.00 0.00 174.74 173.60 3bhb s VAL 261 N 1.10 3.35 -0.14 -0.90 1.01 -0.32 -1.37 120.40 123.12 3bhb s VAL 261 Ca 0.02 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3bhb s VAL 261 Cb -0.14 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3bhb s VAL 261 CO 0.01 0.48 -0.22 -1.10 0.00 0.00 0.00 175.10 174.27 3bhb s GLN 262 N 0.77 2.99 0.00 2.72 -0.21 -0.45 -1.77 119.66 123.71 3bhb s GLN 262 Ca -0.03 -0.85 -0.24 0.00 0.02 0.00 0.00 55.36 54.26 3bhb s GLN 262 Cb -0.15 -2.41 0.05 0.00 1.00 0.00 0.00 33.01 31.50 3bhb s GLN 262 CO 0.02 -0.01 0.53 -1.58 -2.12 0.00 0.00 175.29 172.13 3bhb s HIS 263 N 0.80 -0.46 0.53 0.91 2.46 -1.26 -2.06 115.29 116.21 3bhb s HIS 263 Ca -0.08 0.66 0.39 0.00 0.47 0.00 0.00 55.06 56.50 3bhb s HIS 263 Cb -0.16 0.32 2.07 0.00 -0.13 0.00 0.00 32.58 34.68 3bhb s HIS 263 CO -0.01 -0.58 2.26 1.49 -2.47 0.00 0.00 174.74 175.42 3bhb h GLU 264 N 3.07 0.00 -0.00 2.88 4.81 -1.94 -1.61 114.58 121.79 3bhb h GLU 264 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3bhb h GLU 264 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3bhb h GLU 264 CO 0.40 0.01 -0.20 0.41 -0.73 0.00 0.00 179.01 178.90 3bhb n GLY 265 N -0.85 -1.39 3.40 1.92 0.00 -1.26 -4.71 105.19 102.29 3bhb n GLY 265 Ca -0.02 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3bhb n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bhb s LEU 266 N -2.99 4.15 0.62 0.99 1.43 -0.61 -4.55 118.68 117.72 3bhb s LEU 266 Ca 0.13 -0.67 0.38 0.00 -1.03 0.00 0.00 54.13 52.94 3bhb s LEU 266 Cb 0.18 -1.97 2.09 0.00 0.03 0.00 0.00 46.19 46.53 3bhb s LEU 266 CO 0.60 -0.23 2.29 1.55 0.23 0.00 0.00 176.35 180.79 3bhb h PRO 267 N 8.33 0.00 -3.12 1.29 0.13 -1.84 -3.43 132.00 133.37 3bhb h PRO 267 Ca -0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 3bhb h PRO 267 Cb 1.13 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.03 3bhb h PRO 267 CO 0.62 0.01 -0.37 -1.59 -0.23 0.00 0.00 178.00 176.44 3bhb s LYS 268 N -4.28 0.45 0.44 0.86 0.00 -1.26 -5.15 119.74 110.79 3bhb s LYS 268 Ca -0.04 0.11 -0.24 0.00 0.00 0.00 0.00 55.97 55.79 3bhb s LYS 268 Cb 0.13 0.20 -0.09 0.00 0.00 0.00 0.00 37.83 38.08 3bhb s LYS 268 CO 0.48 -0.09 1.19 -2.30 0.00 0.00 0.00 175.35 174.62 3bhb n PRO 269 N 2.24 1.69 -3.53 1.78 -0.02 -1.26 -5.00 135.00 130.90 3bhb n PRO 269 Ca -0.17 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 3bhb n PRO 269 Cb 0.57 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 3bhb n PRO 269 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3bhb s LEU 270 N -1.53 4.44 -0.16 2.45 0.20 -0.73 -4.94 118.68 118.42 3bhb s LEU 270 Ca 0.63 0.88 0.01 0.00 0.69 0.00 0.00 54.13 56.34 3bhb s LEU 270 Cb -0.51 -2.53 0.02 0.00 -0.43 0.00 0.00 46.19 42.74 3bhb s LEU 270 CO 0.56 0.30 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.85 3bhb s THR 271 N -0.86 1.88 -0.06 3.68 2.01 -1.26 -1.18 115.64 119.85 3bhb s THR 271 Ca 0.23 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3bhb s THR 271 Cb -0.16 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3bhb s THR 271 CO 0.12 0.51 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.64 3bhb s LEU 272 N 1.23 2.63 -0.00 4.42 1.43 -0.41 -4.96 118.68 123.00 3bhb s LEU 272 Ca 0.02 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3bhb s LEU 272 Cb -0.14 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 3bhb s LEU 272 CO -0.09 0.30 0.03 -0.60 0.23 0.00 0.00 176.35 176.21 3bhb s ARG 273 N -0.46 0.13 0.00 1.70 3.52 -1.26 -1.13 118.95 121.45 3bhb s ARG 273 Ca 0.05 -0.13 0.28 0.00 -0.13 0.00 0.00 55.73 55.80 3bhb s ARG 273 Cb -0.12 0.05 1.66 0.00 -1.56 0.00 0.00 34.95 34.98 3bhb s ARG 273 CO 0.02 -0.02 2.00 1.87 -0.81 0.00 0.00 175.30 178.36