#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bzf n SER 2 N 0.00 2.58 -3.46 1.61 7.64 -1.26 -4.51 113.62 116.22 3bzf n SER 2 Ca 0.00 1.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.92 3bzf n SER 2 Cb 0.00 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 61.78 3bzf n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3bzf s HIS 3 N -0.02 -0.45 -0.03 1.43 0.09 -1.20 -4.99 115.29 110.12 3bzf s HIS 3 Ca 0.70 0.27 -0.18 0.00 -0.00 0.00 0.00 55.06 55.85 3bzf s HIS 3 Cb -0.68 0.55 0.03 0.00 -0.00 0.00 0.00 32.58 32.48 3bzf s HIS 3 CO 0.49 -0.71 0.39 -1.54 -0.00 0.00 0.00 174.74 173.37 3bzf s SER 4 N -2.63 -0.29 -0.21 1.40 1.04 -1.26 -1.74 113.70 110.01 3bzf s SER 4 Ca 0.03 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3bzf s SER 4 Cb -0.01 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.51 3bzf s SER 4 CO -0.11 -0.47 -0.14 -0.22 0.98 0.00 0.00 173.24 173.28 3bzf s LEU 5 N -1.24 2.62 -0.00 2.42 2.96 -0.79 -1.53 118.68 123.11 3bzf s LEU 5 Ca -0.13 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.02 3bzf s LEU 5 Cb -0.04 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3bzf s LEU 5 CO 0.05 -0.06 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.41 3bzf s LYS 6 N 1.28 0.62 0.06 1.98 1.02 0.71 -1.96 119.74 123.45 3bzf s LYS 6 Ca 0.02 -0.28 0.09 0.00 0.02 0.00 0.00 55.97 55.82 3bzf s LYS 6 Cb -0.15 -0.60 -0.03 0.00 -0.52 0.00 0.00 37.83 36.54 3bzf s LYS 6 CO -0.09 0.16 -0.26 0.71 -0.92 0.00 0.00 175.35 174.95 3bzf s TYR 7 N -0.20 2.30 -0.15 3.18 1.51 -0.63 -0.14 117.35 123.21 3bzf s TYR 7 Ca 0.03 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3bzf s TYR 7 Cb -0.03 -1.36 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3bzf s TYR 7 CO -0.00 0.15 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.42 3bzf s PHE 8 N -0.84 2.03 -0.12 2.71 0.40 -0.67 -2.87 117.98 118.63 3bzf s PHE 8 Ca 0.12 -1.18 0.02 0.00 -0.60 0.00 0.00 56.93 55.28 3bzf s PHE 8 Cb -0.10 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 3bzf s PHE 8 CO 0.03 -0.65 -0.18 -1.01 0.70 0.00 0.00 175.22 174.11 3bzf s HIS 9 N 1.53 2.71 -0.03 0.36 3.76 0.31 -1.81 115.29 122.12 3bzf s HIS 9 Ca 0.03 -0.87 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 3bzf s HIS 9 Cb -0.14 -1.80 -0.00 0.00 1.11 0.00 0.00 32.58 31.75 3bzf s HIS 9 CO -0.09 -0.33 -0.14 0.99 -0.85 0.00 0.00 174.74 174.31 3bzf s THR 10 N 0.42 1.19 -0.08 1.30 2.01 0.62 -1.29 115.64 119.82 3bzf s THR 10 Ca -0.13 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3bzf s THR 10 Cb -0.17 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.34 3bzf s THR 10 CO 0.06 0.35 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.71 3bzf s SER 11 N -0.00 1.70 -0.17 3.53 0.15 -0.24 -1.07 113.70 117.60 3bzf s SER 11 Ca -0.01 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3bzf s SER 11 Cb -0.09 -0.72 0.03 0.00 -1.71 0.00 0.00 66.02 63.53 3bzf s SER 11 CO 0.01 -0.05 -0.10 -0.69 1.20 0.00 0.00 173.24 173.60 3bzf s VAL 12 N 1.15 1.47 0.37 4.45 1.01 -0.25 -1.09 120.40 127.52 3bzf s VAL 12 Ca -0.06 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 3bzf s VAL 12 Cb -0.14 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 3bzf s VAL 12 CO -0.02 0.28 1.13 -0.94 0.00 0.00 0.00 175.10 175.56 3bzf s SER 13 N 1.50 6.72 -0.27 3.32 1.04 -0.36 -1.14 113.70 124.50 3bzf s SER 13 Ca 0.02 2.28 -0.01 0.00 0.48 0.00 0.00 55.95 58.72 3bzf s SER 13 Cb -0.15 -2.61 0.09 0.00 0.10 0.00 0.00 66.02 63.45 3bzf s SER 13 CO -0.09 -0.53 0.06 -0.13 0.98 0.00 0.00 173.24 173.53 3bzf s ARG 14 N -2.16 0.88 0.22 4.02 0.52 -1.26 -4.32 118.95 116.83 3bzf s ARG 14 Ca 0.55 -0.96 -0.09 0.00 -0.52 0.00 0.00 55.73 54.71 3bzf s ARG 14 Cb -0.29 -2.17 0.17 0.00 0.52 0.00 0.00 34.95 33.18 3bzf s ARG 14 CO 0.37 -0.85 1.84 -1.35 0.02 0.00 0.00 175.30 175.33 3bzf h PRO 15 N 8.08 1.13 -0.38 3.54 0.11 -1.86 -3.32 132.00 139.31 3bzf h PRO 15 Ca -0.14 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3bzf h PRO 15 Cb 1.05 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 3bzf h PRO 15 CO 0.44 0.83 0.04 0.41 -0.21 0.00 0.00 178.00 179.50 3bzf n GLY 16 N -1.11 4.07 1.58 -0.55 0.00 -1.26 -4.64 105.19 103.28 3bzf n GLY 16 Ca 0.08 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3bzf n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bzf n ARG 17 N -0.49 2.90 0.00 1.61 3.00 -1.25 -5.11 116.66 117.33 3bzf n ARG 17 Ca 0.27 -3.86 0.00 0.00 -0.01 0.00 0.00 57.85 54.25 3bzf n ARG 17 Cb 1.03 -2.03 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3bzf n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3bzf n GLY 18 N -0.83 -1.05 3.78 -0.13 0.00 -1.26 -4.88 105.19 100.83 3bzf n GLY 18 Ca 0.35 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 3bzf n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bzf s GLU 19 N 0.00 3.51 1.03 1.61 2.02 -1.26 -4.56 118.70 121.05 3bzf s GLU 19 Ca 0.00 1.63 -0.11 0.00 0.02 0.00 0.00 54.97 56.50 3bzf s GLU 19 Cb 0.00 -2.12 0.21 0.00 0.10 0.00 0.00 34.13 32.32 3bzf s GLU 19 CO 0.00 -0.72 1.09 -1.25 0.02 0.00 0.00 175.26 174.40 3bzf s PRO 20 N -3.12 0.12 0.22 0.39 0.04 -1.26 -4.76 135.00 126.64 3bzf s PRO 20 Ca 0.70 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 3bzf s PRO 20 Cb -0.24 -1.64 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 3bzf s PRO 20 CO 0.28 -3.15 0.72 0.50 0.04 0.00 0.00 177.00 175.39 3bzf s ARG 21 N -4.55 4.25 -0.04 4.56 3.00 -0.29 -4.85 118.95 121.02 3bzf s ARG 21 Ca 0.68 0.86 -0.01 0.00 -1.00 0.00 0.00 55.73 56.25 3bzf s ARG 21 Cb -0.24 -2.87 0.03 0.00 0.00 0.00 0.00 34.95 31.87 3bzf s ARG 21 CO 0.61 0.39 0.07 0.12 0.00 0.00 0.00 175.30 176.49 3bzf s PHE 22 N -1.53 0.00 -0.03 5.12 2.19 -1.26 -1.09 117.98 121.39 3bzf s PHE 22 Ca 0.43 0.27 0.04 0.00 0.33 0.00 0.00 56.93 58.00 3bzf s PHE 22 Cb -0.17 -0.33 -0.00 0.00 -1.31 0.00 0.00 43.02 41.21 3bzf s PHE 22 CO 0.21 -0.16 -0.14 0.42 1.83 0.00 0.00 175.22 177.38 3bzf s ILE 23 N 1.70 1.15 -0.06 3.12 1.01 -0.23 -2.10 121.20 125.78 3bzf s ILE 23 Ca -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.07 3bzf s ILE 23 Cb -0.12 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.38 3bzf s ILE 23 CO -0.04 0.33 -0.10 -0.44 0.00 0.00 0.00 174.94 174.70 3bzf s SER 24 N -0.05 1.60 -0.05 3.58 0.01 0.36 -0.27 113.70 118.87 3bzf s SER 24 Ca -0.00 -0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.05 3bzf s SER 24 Cb -0.09 -0.73 -0.00 0.00 0.21 0.00 0.00 66.02 65.41 3bzf s SER 24 CO 0.01 -0.00 -0.19 0.68 0.41 0.00 0.00 173.24 174.14 3bzf s VAL 25 N 0.82 1.60 -0.10 3.43 -7.23 -0.75 0.02 120.40 118.20 3bzf s VAL 25 Ca -0.12 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 3bzf s VAL 25 Cb -0.15 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 3bzf s VAL 25 CO 0.02 0.46 -0.14 -0.83 -0.31 0.00 0.00 175.10 174.30 3bzf s GLY 26 N 0.07 1.53 0.07 2.32 0.00 -0.23 -1.67 107.32 109.41 3bzf s GLY 26 Ca -0.06 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 43.83 3bzf s GLY 26 CO 0.03 -0.40 -0.25 -0.19 0.00 0.00 0.00 173.10 172.28 3bzf s TYR 27 N -0.05 2.21 -0.32 1.90 1.51 0.80 -0.63 117.35 122.77 3bzf s TYR 27 Ca -0.03 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.62 3bzf s TYR 27 Cb -0.14 -1.29 0.07 0.00 -0.11 0.00 0.00 41.96 40.49 3bzf s TYR 27 CO 0.04 0.17 0.03 0.08 -1.11 0.00 0.00 175.55 174.76 3bzf s VAL 28 N -0.87 2.83 0.00 0.71 1.01 0.12 -0.21 120.40 123.99 3bzf s VAL 28 Ca 0.11 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.40 3bzf s VAL 28 Cb -0.10 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3bzf s VAL 28 CO 0.03 -0.28 0.00 0.47 0.00 0.00 0.00 175.10 175.32 3bzf n ASP 29 N 4.54 0.00 -1.98 3.32 8.00 -0.58 -1.58 116.55 128.26 3bzf n ASP 29 Ca -0.09 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 3bzf n ASP 29 Cb 0.43 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.68 3bzf n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bzf n ASP 30 N 5.21 4.29 -4.12 -2.24 8.00 -1.26 -4.86 116.55 121.56 3bzf n ASP 30 Ca 0.00 -3.70 -0.32 0.00 0.71 0.00 0.00 54.79 51.48 3bzf n ASP 30 Cb 0.00 -0.79 -0.16 0.00 -0.02 0.00 0.00 41.12 40.14 3bzf n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3bzf s THR 31 N -3.67 1.94 0.39 -3.53 2.01 -0.61 -4.99 115.64 107.18 3bzf s THR 31 Ca 0.55 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 3bzf s THR 31 Cb 0.47 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 71.15 3bzf s THR 31 CO 0.05 0.52 0.82 -1.58 -0.69 0.00 0.00 174.62 173.74 3bzf s GLN 32 N 1.06 3.97 0.00 4.92 0.74 -1.26 -0.70 119.66 128.39 3bzf s GLN 32 Ca -0.02 0.73 0.00 0.00 0.05 0.00 0.00 55.36 56.12 3bzf s GLN 32 Cb -0.14 -2.34 0.00 0.00 1.10 0.00 0.00 33.01 31.63 3bzf s GLN 32 CO -0.06 0.01 0.00 1.97 -0.55 0.00 0.00 175.29 176.66 3bzf n PHE 33 N -0.85 0.00 -4.21 1.67 -1.74 0.19 -4.32 117.46 108.21 3bzf n PHE 33 Ca 0.04 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.81 3bzf n PHE 33 Cb 0.54 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.44 3bzf n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3bzf s VAL 34 N -1.00 0.44 -0.12 1.97 -7.23 -1.22 0.20 120.40 113.44 3bzf s VAL 34 Ca 0.00 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 57.94 3bzf s VAL 34 Cb 0.00 -2.10 0.07 0.00 0.56 0.00 0.00 36.38 34.91 3bzf s VAL 34 CO 0.00 -0.46 0.66 0.00 -0.31 0.00 0.00 175.10 174.99 3bzf s ARG 35 N -3.97 0.95 -0.05 4.82 1.04 -1.03 -1.06 118.95 119.65 3bzf s ARG 35 Ca 0.24 0.47 0.02 0.00 -1.04 0.00 0.00 55.73 55.42 3bzf s ARG 35 Cb 0.07 0.45 0.01 0.00 -2.04 0.00 0.00 34.95 33.44 3bzf s ARG 35 CO 0.03 -0.24 -0.10 0.12 -0.04 0.00 0.00 175.30 175.07 3bzf s PHE 36 N -0.67 1.20 -0.14 5.89 2.19 0.10 -1.97 117.98 124.58 3bzf s PHE 36 Ca -0.07 -0.39 -0.04 0.00 0.33 0.00 0.00 56.93 56.76 3bzf s PHE 36 Cb -0.02 -0.90 0.06 0.00 -1.31 0.00 0.00 43.02 40.85 3bzf s PHE 36 CO 0.07 -0.21 0.11 0.34 1.83 0.00 0.00 175.22 177.36 3bzf s ASP 37 N 0.57 1.77 0.00 6.13 -1.08 -1.26 -0.49 116.67 122.31 3bzf s ASP 37 Ca -0.11 -0.30 0.01 0.00 -0.52 0.00 0.00 52.55 51.63 3bzf s ASP 37 Cb -0.14 -0.08 0.07 0.00 -1.46 0.00 0.00 42.92 41.32 3bzf s ASP 37 CO 0.02 -0.31 0.57 -0.46 0.52 0.00 0.00 175.17 175.51 3bzf n ASN 38 N 5.29 0.00 -0.00 -0.34 0.23 -0.89 -1.23 115.26 118.32 3bzf n ASN 38 Ca -0.06 -0.98 0.04 0.00 -0.53 0.00 0.00 54.58 53.05 3bzf n ASN 38 Cb 0.49 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.14 3bzf n ASN 38 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3bzf n ASP 39 N -0.54 2.87 -4.58 0.53 9.92 -1.26 -4.89 116.55 118.60 3bzf n ASP 39 Ca 0.01 -0.08 -0.30 0.00 -0.53 0.00 0.00 54.79 53.89 3bzf n ASP 39 Cb 0.00 1.32 0.21 0.00 -0.64 0.00 0.00 41.12 42.01 3bzf n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bzf n ALA 40 N -1.70 -1.73 -0.29 2.24 0.00 -0.37 -4.87 120.51 113.79 3bzf n ALA 40 Ca -0.01 -0.82 0.02 0.00 0.00 0.00 0.00 53.44 52.62 3bzf n ALA 40 Cb 0.19 -2.11 0.21 0.00 0.00 0.00 0.00 19.45 17.75 3bzf n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bzf h ALA 41 N -2.23 1.45 -3.13 0.00 0.00 -1.97 -3.28 119.26 110.10 3bzf h ALA 41 Ca -0.51 -0.04 -0.70 0.00 0.00 0.00 0.00 54.91 53.66 3bzf h ALA 41 Cb 1.30 -0.31 -0.31 0.00 0.00 0.00 0.00 17.79 18.46 3bzf h ALA 41 CO 0.44 0.47 -0.57 0.45 0.00 0.00 0.00 179.25 180.04 3bzf s SER 42 N -6.15 5.29 -1.49 0.00 0.15 -1.26 -5.02 113.70 105.22 3bzf s SER 42 Ca -0.12 -1.56 -0.09 0.00 0.70 0.00 0.00 55.95 54.88 3bzf s SER 42 Cb 0.19 -1.85 -0.07 0.00 -1.71 0.00 0.00 66.02 62.57 3bzf s SER 42 CO 0.80 -0.44 2.93 -0.81 1.20 0.00 0.00 173.24 176.92 3bzf n PRO 43 N 4.73 3.72 -4.24 5.44 -0.05 -1.24 -4.76 135.00 138.60 3bzf n PRO 43 Ca -0.09 -2.30 -0.13 0.00 -0.05 0.00 0.00 63.50 60.93 3bzf n PRO 43 Cb 0.43 -2.73 -0.10 0.00 -0.05 0.00 0.00 33.50 31.05 3bzf n PRO 43 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 3bzf s ARG 44 N 1.64 1.13 0.12 0.54 0.52 -1.26 -4.84 118.95 116.80 3bzf s ARG 44 Ca 0.68 -1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 3bzf s ARG 44 Cb 0.19 -0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.42 3bzf s ARG 44 CO -0.06 -0.18 1.15 1.41 0.02 0.00 0.00 175.30 177.63 3bzf s MET 45 N -3.96 4.51 0.02 3.54 -2.45 -1.26 -4.32 119.30 115.38 3bzf s MET 45 Ca 0.27 1.74 -0.02 0.00 -1.25 0.00 0.00 55.69 56.43 3bzf s MET 45 Cb 0.07 -3.31 -0.02 0.00 1.25 0.00 0.00 34.83 32.82 3bzf s MET 45 CO 0.05 -0.09 0.01 0.14 1.05 0.00 0.00 175.02 176.19 3bzf s VAL 46 N 0.39 0.12 0.32 10.11 -7.23 -0.83 -4.80 120.40 118.48 3bzf s VAL 46 Ca 0.54 -1.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.43 3bzf s VAL 46 Cb -0.29 -0.52 -0.09 0.00 0.56 0.00 0.00 36.38 36.04 3bzf s VAL 46 CO 0.32 -0.55 1.05 -2.16 -0.31 0.00 0.00 175.10 173.45 3bzf s PRO 47 N -1.88 4.51 0.00 4.82 0.04 -1.26 -2.47 135.00 138.76 3bzf s PRO 47 Ca -0.12 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3bzf s PRO 47 Cb -0.06 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.51 3bzf s PRO 47 CO -0.02 0.14 0.90 0.54 0.04 0.00 0.00 177.00 178.60 3bzf n ARG 48 N 0.79 2.40 -4.02 4.56 5.12 0.52 -4.91 116.66 121.11 3bzf n ARG 48 Ca 0.01 -1.30 -0.13 0.00 -1.93 0.00 0.00 57.85 54.50 3bzf n ARG 48 Cb 0.47 -0.91 -0.13 0.00 -1.16 0.00 0.00 32.46 30.73 3bzf n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bzf s ALA 49 N -0.80 0.29 0.21 7.54 0.00 -1.16 -4.62 121.76 123.22 3bzf s ALA 49 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3bzf s ALA 49 Cb 0.00 0.02 0.30 0.00 0.00 0.00 0.00 23.12 23.44 3bzf s ALA 49 CO 0.00 -0.01 1.71 -1.35 0.00 0.00 0.00 175.76 176.11 3bzf h PRO 50 N 5.32 0.29 -0.06 0.00 0.11 -1.94 -1.99 132.00 133.73 3bzf h PRO 50 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3bzf h PRO 50 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3bzf h PRO 50 CO 0.46 0.19 0.00 -2.67 -0.21 0.00 0.00 178.00 175.77 3bzf n TRP 51 N -5.09 0.00 0.00 0.65 4.27 -1.26 -1.28 117.44 114.73 3bzf n TRP 51 Ca 0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.70 3bzf n TRP 51 Cb 0.32 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.26 3bzf n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 3bzf n MET 52 N -0.37 1.24 0.00 -2.67 2.81 -0.75 -4.68 117.12 112.70 3bzf n MET 52 Ca 0.00 -1.07 0.09 0.00 -1.81 0.00 0.00 57.70 54.92 3bzf n MET 52 Cb 0.02 -1.00 0.50 0.00 -0.71 0.00 0.00 33.22 32.03 3bzf n MET 52 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3bzf n GLU 53 N -0.27 0.41 -0.09 0.03 4.07 -0.40 -3.26 120.64 121.12 3bzf n GLU 53 Ca 0.00 0.06 -0.14 0.00 -0.06 0.00 0.00 57.16 57.03 3bzf n GLU 53 Cb 0.14 -1.50 -0.09 0.00 -0.06 0.00 0.00 31.44 29.94 3bzf n GLU 53 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3bzf n GLN 54 N -1.16 0.47 -0.75 5.31 0.00 -1.26 -5.06 117.38 114.93 3bzf n GLN 54 Ca 0.11 0.11 -0.29 0.00 0.00 0.00 0.00 57.00 56.94 3bzf n GLN 54 Cb 0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 30.24 28.95 3bzf n GLN 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3bzf n GLU 55 N -3.11 0.00 -0.76 2.61 -0.58 -1.20 -4.82 120.64 112.78 3bzf n GLU 55 Ca -0.34 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.08 3bzf n GLU 55 Cb 0.85 -0.72 0.14 0.00 -0.57 0.00 0.00 31.44 31.14 3bzf n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bzf n GLY 56 N 0.80 -1.73 0.38 0.62 0.00 -1.26 -4.81 105.19 99.19 3bzf n GLY 56 Ca 0.10 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.50 3bzf n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bzf h SER 57 N -1.68 0.56 0.21 1.61 0.02 -2.00 -2.89 113.55 109.37 3bzf h SER 57 Ca -0.44 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3bzf h SER 57 Cb 1.29 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 3bzf h SER 57 CO 0.36 0.28 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.94 3bzf h GLU 58 N 0.59 -0.57 -0.98 3.45 4.81 -2.00 0.78 114.58 120.67 3bzf h GLU 58 Ca 0.42 0.04 0.25 0.00 -0.13 0.00 0.00 59.36 59.94 3bzf h GLU 58 Cb 0.78 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.16 3bzf h GLU 58 CO -0.18 -0.38 0.55 -0.92 -0.73 0.00 0.00 179.01 177.35 3bzf h TYR 59 N -0.59 0.92 -0.08 0.92 3.20 -1.85 -1.25 116.97 118.26 3bzf h TYR 59 Ca 0.01 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3bzf h TYR 59 Cb 0.58 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.60 3bzf h TYR 59 CO -0.24 0.01 -0.47 -1.49 -1.64 0.00 0.00 178.16 174.33 3bzf h TRP 60 N 0.51 0.62 -0.85 -3.82 4.06 -1.23 -1.73 115.95 113.52 3bzf h TRP 60 Ca 0.64 -0.28 -0.03 0.00 2.06 0.00 0.00 58.89 61.28 3bzf h TRP 60 Cb 1.25 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 29.28 3bzf h TRP 60 CO -0.04 1.06 0.43 -0.44 -3.56 0.00 0.00 178.44 175.89 3bzf h ASP 61 N 0.01 1.10 -0.10 -3.49 3.32 -0.64 0.51 116.42 117.13 3bzf h ASP 61 Ca -0.04 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3bzf h ASP 61 Cb 1.13 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3bzf h ASP 61 CO 0.10 0.91 0.07 -0.09 -1.72 0.00 0.00 179.24 178.51 3bzf h ARG 62 N 1.21 0.14 -0.15 3.56 2.43 -1.11 -0.65 114.38 119.80 3bzf h ARG 62 Ca 0.29 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.31 3bzf h ARG 62 Cb 0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3bzf h ARG 62 CO -0.04 0.09 -0.54 0.93 -1.51 0.00 0.00 179.97 178.90 3bzf h GLU 63 N 0.14 0.43 -0.52 0.20 4.39 -0.92 -1.62 114.58 116.68 3bzf h GLU 63 Ca 0.04 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 3bzf h GLU 63 Cb -0.02 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3bzf h GLU 63 CO -0.01 0.86 0.20 1.15 -1.16 0.00 0.00 179.01 180.05 3bzf h THR 64 N 0.33 1.19 -0.33 1.13 2.02 0.50 -2.10 112.91 115.65 3bzf h THR 64 Ca 0.01 -0.61 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 3bzf h THR 64 Cb 1.05 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3bzf h THR 64 CO 0.09 0.24 -0.29 -0.09 0.37 0.00 0.00 175.52 175.84 3bzf h ARG 65 N 0.74 0.78 -0.35 6.66 9.65 -0.79 -0.61 114.38 130.45 3bzf h ARG 65 Ca 0.18 -0.40 -0.04 0.00 -1.10 0.00 0.00 59.98 58.62 3bzf h ARG 65 Cb 0.16 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3bzf h ARG 65 CO -0.02 1.02 0.07 1.03 2.80 0.00 0.00 179.97 184.88 3bzf h SER 66 N 0.55 0.55 -0.28 -3.80 0.87 -1.00 -0.42 113.55 110.02 3bzf h SER 66 Ca 0.06 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3bzf h SER 66 Cb 0.87 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3bzf h SER 66 CO 0.07 0.66 0.13 0.00 -0.53 0.00 0.00 176.83 177.17 3bzf h ALA 67 N 0.91 0.36 -0.69 6.23 0.00 -1.33 -1.37 119.26 123.38 3bzf h ALA 67 Ca 0.11 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3bzf h ALA 67 Cb 0.33 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3bzf h ALA 67 CO 0.00 -0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.56 3bzf h ARG 68 N 0.32 0.67 -0.32 0.00 3.08 -0.92 -0.08 114.38 117.13 3bzf h ARG 68 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3bzf h ARG 68 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3bzf h ARG 68 CO -0.01 0.44 0.08 -0.44 -1.07 0.00 0.00 179.97 178.97 3bzf h ASP 69 N 0.69 0.48 -0.77 7.04 3.32 -0.96 -1.91 116.42 124.30 3bzf h ASP 69 Ca 0.32 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3bzf h ASP 69 Cb 0.23 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3bzf h ASP 69 CO -0.20 0.58 0.51 0.74 -1.72 0.00 0.00 179.24 179.15 3bzf h THR 70 N 0.36 1.17 -0.57 0.35 2.02 -0.58 -1.85 112.91 113.81 3bzf h THR 70 Ca 0.10 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 67.03 3bzf h THR 70 Cb 0.28 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.69 3bzf h THR 70 CO -0.00 0.18 0.14 0.00 0.37 0.00 0.00 175.52 176.22 3bzf h ALA 71 N 1.53 0.68 -0.23 6.16 0.00 -0.27 0.42 119.26 127.56 3bzf h ALA 71 Ca 0.29 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3bzf h ALA 71 Cb -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3bzf h ALA 71 CO -0.07 -0.28 0.14 1.96 0.00 0.00 0.00 179.25 181.00 3bzf h GLN 72 N 0.29 0.31 -0.30 0.00 1.08 -0.84 0.54 115.11 116.19 3bzf h GLN 72 Ca 0.29 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.49 3bzf h GLN 72 Cb 0.40 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 3bzf h GLN 72 CO -0.35 0.26 0.11 0.82 -0.95 0.00 0.00 178.83 178.71 3bzf h ILE 73 N 0.28 0.92 -0.06 2.54 1.08 -0.45 -2.00 117.51 119.82 3bzf h ILE 73 Ca 0.08 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3bzf h ILE 73 Cb 0.03 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 3bzf h ILE 73 CO -0.02 0.04 -0.11 -0.26 -0.69 0.00 0.00 178.15 177.12 3bzf h PHE 74 N 0.24 0.09 -0.07 1.37 -1.00 0.26 0.51 116.94 118.35 3bzf h PHE 74 Ca 0.14 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 3bzf h PHE 74 Cb 0.10 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 3bzf h PHE 74 CO -0.13 0.20 0.04 -0.09 -1.61 0.00 0.00 178.31 176.72 3bzf h ARG 75 N 0.09 0.10 -0.88 1.51 2.43 0.80 -0.02 114.38 118.41 3bzf h ARG 75 Ca 0.02 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3bzf h ARG 75 Cb 0.25 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 3bzf h ARG 75 CO 0.02 0.11 0.58 0.28 -1.51 0.00 0.00 179.97 179.44 3bzf h VAL 76 N 0.07 1.19 -0.35 0.20 2.07 -0.93 -2.54 116.25 115.95 3bzf h VAL 76 Ca 0.03 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3bzf h VAL 76 Cb 0.03 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 3bzf h VAL 76 CO -0.01 0.21 0.18 0.78 0.02 0.00 0.00 177.57 178.76 3bzf h ASN 77 N 1.16 0.45 -0.84 0.57 2.35 -0.55 -1.54 115.58 117.17 3bzf h ASN 77 Ca 0.33 -0.10 0.17 0.00 -0.55 0.00 0.00 56.30 56.15 3bzf h ASN 77 Cb -0.08 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.11 3bzf h ASN 77 CO -0.09 0.43 0.55 -0.07 -1.65 0.00 0.00 177.43 176.60 3bzf h LEU 78 N 0.44 0.45 -0.46 1.61 3.38 -0.77 0.49 115.31 120.45 3bzf h LEU 78 Ca 0.12 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 3bzf h LEU 78 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3bzf h LEU 78 CO -0.02 0.21 -0.67 -0.09 0.09 0.00 0.00 178.44 177.97 3bzf h ARG 79 N 0.47 0.42 -0.26 1.13 2.43 -0.98 -2.89 114.38 114.71 3bzf h ARG 79 Ca 0.43 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 3bzf h ARG 79 Cb 0.95 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3bzf h ARG 79 CO -0.16 0.94 -0.31 1.15 -1.51 0.00 0.00 179.97 180.09 3bzf h THR 80 N 0.30 1.31 -0.54 0.20 2.02 -0.24 -3.17 112.91 112.79 3bzf h THR 80 Ca -0.02 -1.49 0.05 0.00 0.77 0.00 0.00 66.41 65.72 3bzf h THR 80 Cb 1.23 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 3bzf h THR 80 CO 0.12 0.47 0.36 -0.07 0.37 0.00 0.00 175.52 176.76 3bzf h LEU 81 N 0.39 0.48 -1.57 2.58 3.38 -0.07 0.20 115.31 120.69 3bzf h LEU 81 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3bzf h LEU 81 Cb 0.88 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3bzf h LEU 81 CO 0.07 0.32 -0.16 0.03 0.09 0.00 0.00 178.44 178.79 3bzf h ARG 82 N 0.55 0.00 0.17 1.13 3.08 -1.48 -2.73 114.38 115.10 3bzf h ARG 82 Ca 0.23 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.97 3bzf h ARG 82 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3bzf h ARG 82 CO -0.06 0.16 -1.40 0.78 -1.07 0.00 0.00 179.97 178.38 3bzf h GLY 83 N 1.40 0.42 1.31 0.04 0.00 -0.98 -1.33 103.07 103.93 3bzf h GLY 83 Ca -0.00 -1.07 0.02 0.00 0.00 0.00 0.00 47.33 46.28 3bzf h GLY 83 CO 0.02 0.94 0.43 -0.97 0.00 0.00 0.00 176.54 176.96 3bzf h TYR 84 N 0.10 0.79 -2.94 5.60 0.99 -1.22 -3.38 116.97 116.92 3bzf h TYR 84 Ca -0.20 0.02 -0.57 0.00 2.00 0.00 0.00 58.73 59.98 3bzf h TYR 84 Cb 2.05 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 39.49 3bzf h TYR 84 CO 0.09 0.49 -0.37 0.71 -0.00 0.00 0.00 178.16 179.07 3bzf s TYR 85 N -5.72 3.49 -1.14 4.88 1.51 -1.05 -4.98 117.35 114.34 3bzf s TYR 85 Ca -0.10 0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 56.27 3bzf s TYR 85 Cb 0.18 -1.87 0.27 0.00 -0.11 0.00 0.00 41.96 40.43 3bzf s TYR 85 CO 0.77 0.45 1.53 0.09 -1.11 0.00 0.00 175.55 177.27 3bzf n ASN 86 N -0.23 5.97 -4.62 2.29 3.02 -1.25 -4.60 115.26 115.83 3bzf n ASN 86 Ca -0.04 -3.28 -0.34 0.00 -0.03 0.00 0.00 54.58 50.89 3bzf n ASN 86 Cb 0.53 -1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.25 3bzf n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3bzf s GLN 87 N -1.70 2.81 0.64 3.52 -0.21 -0.50 -5.07 119.66 119.16 3bzf s GLN 87 Ca 0.33 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 55.24 3bzf s GLN 87 Cb 0.04 -2.66 0.11 0.00 1.00 0.00 0.00 33.01 31.50 3bzf s GLN 87 CO 0.06 0.67 0.89 -1.54 -2.12 0.00 0.00 175.29 173.24 3bzf s SER 88 N -0.95 4.73 -0.01 5.90 1.04 -1.26 -4.68 113.70 118.48 3bzf s SER 88 Ca 0.14 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.99 3bzf s SER 88 Cb -0.11 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.16 3bzf s SER 88 CO 0.03 -1.59 0.83 -0.62 0.98 0.00 0.00 173.24 172.86 3bzf n GLU 89 N -2.53 1.14 0.10 4.02 1.02 -1.26 -4.33 120.64 118.79 3bzf n GLU 89 Ca 0.15 -0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 3bzf n GLU 89 Cb 0.61 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.72 3bzf n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bzf h ALA 90 N 2.65 -0.55 -0.93 0.62 0.00 -2.00 -3.45 119.26 115.59 3bzf h ALA 90 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.32 3bzf h ALA 90 Cb 0.28 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3bzf h ALA 90 CO 0.01 -0.87 -0.32 0.20 0.00 0.00 0.00 179.25 178.27 3bzf s GLY 91 N -2.45 2.25 0.04 0.00 0.00 -1.26 -4.96 107.32 100.95 3bzf s GLY 91 Ca -0.16 -1.58 -0.07 0.00 0.00 0.00 0.00 44.72 42.91 3bzf s GLY 91 CO 0.65 -1.85 0.31 -1.35 0.00 0.00 0.00 173.10 170.85 3bzf s SER 92 N -4.24 6.53 0.14 1.64 1.04 -1.26 -4.76 113.70 112.78 3bzf s SER 92 Ca 0.41 0.61 0.06 0.00 0.48 0.00 0.00 55.95 57.51 3bzf s SER 92 Cb -0.02 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 3bzf s SER 92 CO 0.25 0.21 -0.14 -1.00 0.98 0.00 0.00 173.24 173.53 3bzf s HIS 93 N -1.36 1.48 -0.12 5.02 3.76 -1.26 -4.93 115.29 117.88 3bzf s HIS 93 Ca 0.30 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 3bzf s HIS 93 Cb -0.13 -0.76 -0.01 0.00 1.11 0.00 0.00 32.58 32.79 3bzf s HIS 93 CO 0.18 0.19 -0.17 0.99 -0.85 0.00 0.00 174.74 175.08 3bzf s THR 94 N -2.27 2.73 -0.20 1.30 2.01 -1.26 -1.23 115.64 116.73 3bzf s THR 94 Ca 0.12 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 3bzf s THR 94 Cb -0.04 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 3bzf s THR 94 CO 0.04 0.54 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.22 3bzf s LEU 95 N 0.35 2.90 0.13 4.42 2.96 -0.25 -0.38 118.68 128.81 3bzf s LEU 95 Ca -0.13 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 3bzf s LEU 95 Cb -0.17 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3bzf s LEU 95 CO 0.07 0.04 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.02 3bzf s GLN 96 N 1.15 2.45 -0.15 1.98 -0.21 0.10 -1.08 119.66 123.90 3bzf s GLN 96 Ca 0.02 -0.96 -0.07 0.00 0.02 0.00 0.00 55.36 54.37 3bzf s GLN 96 Cb -0.14 -2.44 0.07 0.00 1.00 0.00 0.00 33.01 31.49 3bzf s GLN 96 CO -0.01 0.50 0.34 -0.46 -2.12 0.00 0.00 175.29 173.54 3bzf s TRP 97 N -1.47 -0.55 0.07 0.91 -0.00 -0.41 -1.61 118.94 115.88 3bzf s TRP 97 Ca 0.26 1.17 0.04 0.00 -0.00 0.00 0.00 56.10 57.58 3bzf s TRP 97 Cb -0.11 0.16 -0.03 0.00 -0.00 0.00 0.00 33.47 33.49 3bzf s TRP 97 CO 0.18 -0.36 -0.13 0.00 -0.00 0.00 0.00 176.95 176.64 3bzf s MET 98 N 1.95 0.78 -0.16 5.86 0.23 -0.98 -0.53 119.30 126.45 3bzf s MET 98 Ca -0.05 -0.95 -0.27 0.00 -1.03 0.00 0.00 55.69 53.39 3bzf s MET 98 Cb -0.11 -0.71 0.07 0.00 -1.53 0.00 0.00 34.83 32.56 3bzf s MET 98 CO -0.11 0.15 0.68 -3.38 -2.03 0.00 0.00 175.02 170.33 3bzf s HIS 99 N -1.45 -0.70 0.06 3.16 -3.43 -1.14 -0.63 115.29 111.17 3bzf s HIS 99 Ca -0.02 1.48 -0.27 0.00 -0.80 0.00 0.00 55.06 55.45 3bzf s HIS 99 Cb -0.09 0.32 0.09 0.00 -1.43 0.00 0.00 32.58 31.47 3bzf s HIS 99 CO 0.02 -0.48 0.87 0.20 -2.00 0.00 0.00 174.74 173.35 3bzf s GLY 100 N -0.39 -0.42 0.09 -1.38 0.00 -0.18 -1.61 107.32 103.43 3bzf s GLY 100 Ca -0.05 0.70 0.09 0.00 0.00 0.00 0.00 44.72 45.45 3bzf s GLY 100 CO 0.05 0.22 -0.24 0.00 0.00 0.00 0.00 173.10 173.13 3bzf s GLU 102 N -1.71 1.19 0.02 0.00 2.02 0.75 -1.89 118.70 119.08 3bzf s GLU 102 Ca 0.10 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.64 3bzf s GLU 102 Cb -0.10 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.00 3bzf s GLU 102 CO 0.04 0.15 0.26 -0.51 0.02 0.00 0.00 175.26 175.22 3bzf s LEU 103 N 0.14 4.36 0.00 1.80 1.43 -0.71 0.40 118.68 126.11 3bzf s LEU 103 Ca -0.03 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.52 3bzf s LEU 103 Cb -0.09 -2.72 0.15 0.00 0.03 0.00 0.00 46.19 43.56 3bzf s LEU 103 CO 0.01 0.24 0.94 0.61 0.23 0.00 0.00 176.35 178.38 3bzf n GLY 104 N 0.98 -0.20 0.29 -3.19 0.00 0.11 -3.25 105.19 99.94 3bzf n GLY 104 Ca -0.10 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.18 3bzf n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bzf h PRO 105 N 0.00 0.00 0.00 1.61 0.11 -1.88 -0.16 132.00 131.68 3bzf h PRO 105 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3bzf h PRO 105 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3bzf h PRO 105 CO 0.28 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.72 3bzf n ASP 106 N -3.67 0.00 -0.18 -2.05 5.68 -1.26 -4.17 116.55 110.90 3bzf n ASP 106 Ca -0.02 -0.06 -0.02 0.00 -0.50 0.00 0.00 54.79 54.19 3bzf n ASP 106 Cb 0.15 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 39.90 3bzf n ASP 106 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3bzf n ARG 107 N -1.22 -0.18 -4.41 0.11 5.12 -0.07 -5.05 116.66 110.96 3bzf n ARG 107 Ca 0.08 0.54 -0.24 0.00 -1.93 0.00 0.00 57.85 56.30 3bzf n ARG 107 Cb 0.10 -4.11 -0.11 0.00 -1.16 0.00 0.00 32.46 27.18 3bzf n ARG 107 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3bzf s ARG 108 N -2.04 1.50 -0.04 5.56 0.52 -1.26 -4.89 118.95 118.30 3bzf s ARG 108 Ca 0.00 -1.58 -0.39 0.00 -0.52 0.00 0.00 55.73 53.24 3bzf s ARG 108 Cb 0.00 -1.65 -0.18 0.00 0.52 0.00 0.00 34.95 33.64 3bzf s ARG 108 CO 0.00 0.33 1.32 0.34 0.02 0.00 0.00 175.30 177.31 3bzf n PHE 109 N -0.05 1.31 -0.00 -0.53 7.35 -1.26 -0.71 117.46 123.56 3bzf n PHE 109 Ca -0.10 0.81 -0.00 0.00 -0.76 0.00 0.00 57.45 57.40 3bzf n PHE 109 Cb 0.58 -2.26 -0.00 0.00 0.35 0.00 0.00 39.48 38.15 3bzf n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3bzf n LEU 110 N 2.66 2.02 -3.58 -2.13 7.94 0.16 -4.69 117.00 119.37 3bzf n LEU 110 Ca 0.21 -0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.95 3bzf n LEU 110 Cb 0.12 -0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.00 3bzf n LEU 110 CO 0.67 0.34 0.39 -0.60 -1.11 0.00 0.00 177.39 177.07 3bzf s ARG 111 N -2.00 0.93 0.07 1.96 3.52 -0.80 -4.99 118.95 117.64 3bzf s ARG 111 Ca -0.00 0.48 0.06 0.00 -0.13 0.00 0.00 55.73 56.14 3bzf s ARG 111 Cb 0.00 0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 33.80 3bzf s ARG 111 CO 0.01 -0.23 -0.17 0.20 -0.81 0.00 0.00 175.30 174.30 3bzf s GLY 112 N -0.63 0.98 0.04 8.12 0.00 -1.26 -0.18 107.32 114.39 3bzf s GLY 112 Ca -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 3bzf s GLY 112 CO 0.06 -1.05 0.04 -2.52 0.00 0.00 0.00 173.10 169.63 3bzf s TYR 113 N -1.13 0.28 -0.20 1.90 -0.85 0.08 -4.97 117.35 112.47 3bzf s TYR 113 Ca 0.02 -0.64 -0.13 0.00 -0.52 0.00 0.00 57.07 55.80 3bzf s TYR 113 Cb -0.10 -0.21 0.06 0.00 0.38 0.00 0.00 41.96 42.10 3bzf s TYR 113 CO 0.03 -0.34 0.49 -2.00 -1.52 0.00 0.00 175.55 172.21 3bzf s GLU 114 N -2.70 0.50 0.18 -3.49 2.12 -1.26 -1.01 118.70 113.04 3bzf s GLU 114 Ca -0.04 0.86 -0.07 0.00 0.36 0.00 0.00 54.97 56.08 3bzf s GLU 114 Cb -0.01 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.45 3bzf s GLU 114 CO -0.05 -0.14 0.24 -0.65 -0.54 0.00 0.00 175.26 174.13 3bzf s GLN 115 N 1.18 1.18 0.00 4.30 -0.21 0.20 -1.58 119.66 124.73 3bzf s GLN 115 Ca -0.07 -1.31 0.07 0.00 0.02 0.00 0.00 55.36 54.07 3bzf s GLN 115 Cb -0.07 0.35 -0.02 0.00 1.00 0.00 0.00 33.01 34.27 3bzf s GLN 115 CO -0.11 -0.42 -0.23 -0.06 -2.12 0.00 0.00 175.29 172.35 3bzf s PHE 116 N -4.02 2.04 -0.00 0.91 0.40 0.11 -2.32 117.98 115.09 3bzf s PHE 116 Ca 0.23 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3bzf s PHE 116 Cb 0.04 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.28 3bzf s PHE 116 CO 0.04 0.01 -0.08 0.00 0.70 0.00 0.00 175.22 175.89 3bzf s ALA 117 N -0.62 0.67 -0.14 5.36 0.00 -0.63 -1.35 121.76 125.05 3bzf s ALA 117 Ca 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.69 3bzf s ALA 117 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3bzf s ALA 117 CO 0.00 0.16 -0.15 -0.47 0.00 0.00 0.00 175.76 175.30 3bzf s TYR 118 N -0.24 2.76 -1.65 0.00 5.04 -0.44 0.03 117.35 122.86 3bzf s TYR 118 Ca 0.03 -0.85 -0.14 0.00 -2.44 0.00 0.00 57.07 53.67 3bzf s TYR 118 Cb -0.03 -1.84 0.12 0.00 0.35 0.00 0.00 41.96 40.56 3bzf s TYR 118 CO -0.00 -0.34 0.63 -0.25 -1.34 0.00 0.00 175.55 174.24 3bzf n ASP 119 N 3.73 -2.18 0.00 4.32 8.00 0.49 -1.90 116.55 129.01 3bzf n ASP 119 Ca -0.19 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3bzf n ASP 119 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.03 3bzf n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bzf n GLY 120 N -1.58 0.86 3.36 0.44 0.00 -1.26 -5.01 105.19 101.99 3bzf n GLY 120 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3bzf n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bzf s LYS 121 N -0.17 1.84 0.46 1.61 2.20 -0.80 -5.08 119.74 119.80 3bzf s LYS 121 Ca 0.00 -1.09 -0.25 0.00 -0.36 0.00 0.00 55.97 54.27 3bzf s LYS 121 Cb 0.00 -2.00 -0.08 0.00 -1.51 0.00 0.00 37.83 34.23 3bzf s LYS 121 CO 0.00 0.52 1.33 -0.25 -0.36 0.00 0.00 175.35 176.59 3bzf n ASP 122 N 1.76 2.79 0.00 1.43 8.00 -1.26 -1.32 116.55 127.95 3bzf n ASP 122 Ca -0.17 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.42 3bzf n ASP 122 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3bzf n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bzf n TYR 123 N -0.38 0.00 -3.70 1.24 4.19 -0.45 -4.71 117.16 113.35 3bzf n TYR 123 Ca 0.07 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.17 3bzf n TYR 123 Cb 0.41 0.20 -0.11 0.00 0.49 0.00 0.00 39.34 40.33 3bzf n TYR 123 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 3bzf s LEU 124 N -5.55 -0.06 0.00 2.98 2.96 -1.02 -2.33 118.68 115.66 3bzf s LEU 124 Ca 0.00 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.84 3bzf s LEU 124 Cb 0.00 1.28 -0.02 0.00 0.50 0.00 0.00 46.19 47.95 3bzf s LEU 124 CO 0.00 -0.19 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.73 3bzf s THR 125 N 1.44 1.76 0.28 3.68 2.01 -1.01 0.07 115.64 123.88 3bzf s THR 125 Ca -0.09 -1.04 -0.28 0.00 0.31 0.00 0.00 61.69 60.58 3bzf s THR 125 Cb -0.09 -1.48 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 3bzf s THR 125 CO -0.12 0.41 0.95 -0.22 -0.69 0.00 0.00 174.62 174.95 3bzf s LEU 126 N -0.74 4.50 0.72 4.42 2.96 -0.61 -1.16 118.68 128.77 3bzf s LEU 126 Ca 0.09 1.92 -0.11 0.00 -0.22 0.00 0.00 54.13 55.81 3bzf s LEU 126 Cb -0.09 -3.80 0.02 0.00 0.50 0.00 0.00 46.19 42.83 3bzf s LEU 126 CO 0.00 0.03 1.07 0.20 -1.32 0.00 0.00 176.35 176.34 3bzf s ASN 127 N -1.36 5.09 0.37 3.68 0.01 -0.02 -4.75 114.94 117.96 3bzf s ASN 127 Ca 0.45 1.70 0.11 0.00 -0.71 0.00 0.00 52.86 54.42 3bzf s ASN 127 Cb -0.23 -2.51 0.89 0.00 0.41 0.00 0.00 41.25 39.82 3bzf s ASN 127 CO 0.29 -1.64 1.85 -0.08 -1.51 0.00 0.00 177.10 176.00 3bzf h GLU 128 N -0.81 0.59 -0.00 -0.60 4.57 -1.93 0.20 114.58 116.60 3bzf h GLU 128 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3bzf h GLU 128 Cb 1.22 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3bzf h GLU 128 CO 0.55 0.39 0.00 -0.40 -1.18 0.00 0.00 179.01 178.37 3bzf n ASP 129 N -4.58 0.21 -1.46 1.04 5.68 -1.26 -4.90 116.55 111.28 3bzf n ASP 129 Ca 0.19 -1.09 -0.16 0.00 -0.50 0.00 0.00 54.79 53.23 3bzf n ASP 129 Cb 0.57 -0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.50 3bzf n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3bzf n LEU 130 N -0.83 -1.38 -0.08 -2.12 4.77 0.71 -4.87 117.00 113.20 3bzf n LEU 130 Ca 0.23 0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 56.40 3bzf n LEU 130 Cb 0.14 -2.35 -0.15 0.00 -2.33 0.00 0.00 43.42 38.73 3bzf n LEU 130 CO 0.17 -0.60 -1.04 0.54 -1.33 0.00 0.00 177.39 175.13 3bzf n ARG 131 N -2.54 0.93 -4.04 3.23 5.12 -1.26 -4.50 116.66 113.60 3bzf n ARG 131 Ca -0.17 -0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.59 3bzf n ARG 131 Cb 0.57 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.35 3bzf n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3bzf s SER 132 N -5.11 0.35 0.12 0.55 1.04 -1.26 -4.70 113.70 104.70 3bzf s SER 132 Ca -0.09 -1.21 0.05 0.00 0.48 0.00 0.00 55.95 55.18 3bzf s SER 132 Cb 0.07 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 3bzf s SER 132 CO 0.77 -1.23 0.03 0.26 0.98 0.00 0.00 173.24 174.05 3bzf s TRP 133 N -3.50 3.00 -0.11 5.02 0.52 -1.26 -0.84 118.94 121.76 3bzf s TRP 133 Ca 0.27 -0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.34 3bzf s TRP 133 Cb -0.00 -1.50 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 3bzf s TRP 133 CO 0.14 0.50 -0.10 0.99 0.02 0.00 0.00 176.95 178.50 3bzf s THR 134 N -1.49 1.16 -0.44 2.01 2.01 -0.31 -4.92 115.64 113.66 3bzf s THR 134 Ca 0.27 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 3bzf s THR 134 Cb -0.11 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 3bzf s THR 134 CO 0.20 0.39 1.71 0.00 -0.69 0.00 0.00 174.62 176.22 3bzf s ALA 135 N 1.52 2.71 -0.57 7.40 0.00 -1.26 -2.41 121.76 129.15 3bzf s ALA 135 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3bzf s ALA 135 Cb -0.13 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 3bzf s ALA 135 CO -0.07 -2.95 2.99 0.28 0.00 0.00 0.00 175.76 176.01 3bzf n VAL 136 N 7.25 3.64 -3.81 0.00 0.31 -0.98 -4.63 118.33 120.10 3bzf n VAL 136 Ca 0.20 -2.72 0.00 0.00 -0.01 0.00 0.00 64.34 61.81 3bzf n VAL 136 Cb 0.49 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3bzf n VAL 136 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3bzf n ASP 137 N 1.77 0.00 0.00 4.52 -0.08 -1.26 -4.46 116.55 117.03 3bzf n ASP 137 Ca 0.52 -0.95 0.00 0.00 -1.51 0.00 0.00 54.79 52.85 3bzf n ASP 137 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 3bzf n ASP 137 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 3bzf n THR 138 N 0.00 0.00 1.06 5.18 5.66 -1.26 -4.71 114.28 120.21 3bzf n THR 138 Ca 0.00 -0.42 0.13 0.00 -3.05 0.00 0.00 64.05 60.71 3bzf n THR 138 Cb 0.00 1.04 0.45 0.00 -1.55 0.00 0.00 70.33 70.27 3bzf n THR 138 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bzf n ALA 139 N -0.64 2.95 1.11 1.79 0.00 -1.26 -3.21 120.51 121.25 3bzf n ALA 139 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.32 3bzf n ALA 139 Cb 0.01 -1.29 0.31 0.00 0.00 0.00 0.00 19.45 18.48 3bzf n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bzf n ALA 140 N -1.40 2.50 -0.12 0.00 0.00 -1.26 -4.56 120.51 115.67 3bzf n ALA 140 Ca 0.08 -0.62 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 3bzf n ALA 140 Cb 0.33 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.81 3bzf n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3bzf h GLN 141 N 3.46 -0.04 -0.99 0.00 4.20 -1.87 0.49 115.11 120.36 3bzf h GLN 141 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.89 3bzf h GLN 141 Cb 0.74 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.43 3bzf h GLN 141 CO 0.00 -0.02 0.62 0.82 -0.67 0.00 0.00 178.83 179.57 3bzf h ILE 142 N -0.04 0.76 -0.52 2.54 2.04 -1.86 0.25 117.51 120.68 3bzf h ILE 142 Ca 0.20 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 3bzf h ILE 142 Cb 0.35 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3bzf h ILE 142 CO -0.45 0.14 -0.14 0.28 0.00 0.00 0.00 178.15 177.99 3bzf h SER 143 N 0.79 1.03 0.07 1.72 0.02 -1.52 -2.31 113.55 113.34 3bzf h SER 143 Ca 0.55 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3bzf h SER 143 Cb 0.82 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3bzf h SER 143 CO -0.33 1.16 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.40 3bzf h GLU 144 N 0.89 -0.09 0.00 3.45 4.81 0.81 -1.91 114.58 122.53 3bzf h GLU 144 Ca 0.13 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3bzf h GLU 144 Cb 0.71 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3bzf h GLU 144 CO 0.05 0.19 -0.18 -0.56 -0.73 0.00 0.00 179.01 177.78 3bzf h GLN 145 N -0.37 0.00 0.19 1.92 -0.00 -0.57 -0.61 115.11 115.67 3bzf h GLN 145 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.32 3bzf h GLN 145 Cb 0.32 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.82 3bzf h GLN 145 CO 0.02 0.18 -1.49 -0.22 -0.00 0.00 0.00 178.83 177.31 3bzf h LYS 146 N 0.00 0.40 0.16 0.06 3.64 -1.29 -1.83 116.57 117.71 3bzf h LYS 146 Ca -0.00 -0.68 -0.30 0.00 -1.27 0.00 0.00 60.65 58.41 3bzf h LYS 146 Cb 0.38 0.25 0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3bzf h LYS 146 CO 0.02 1.30 -1.30 0.77 -2.27 0.00 0.00 179.45 177.98 3bzf h SER 147 N 0.11 0.65 -0.45 4.20 0.02 -1.17 -2.00 113.55 114.91 3bzf h SER 147 Ca -0.24 -0.66 -0.02 0.00 -0.84 0.00 0.00 61.79 60.02 3bzf h SER 147 Cb 2.08 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.39 3bzf h SER 147 CO 0.22 1.51 0.19 0.78 -1.14 0.00 0.00 176.83 178.38 3bzf h ASN 148 N 0.14 0.62 -0.16 3.07 2.35 -1.22 -0.79 115.58 119.59 3bzf h ASN 148 Ca -0.18 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.35 3bzf h ASN 148 Cb 2.00 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 40.19 3bzf h ASN 148 CO 0.23 0.61 -0.07 0.44 -1.65 0.00 0.00 177.43 176.99 3bzf h ASP 149 N 0.59 0.45 -0.04 5.81 3.32 -1.37 -2.31 116.42 122.86 3bzf h ASP 149 Ca 0.15 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3bzf h ASP 149 Cb 0.18 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3bzf h ASP 149 CO -0.01 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.07 3bzf n ALA 150 N -2.48 2.56 -2.21 3.45 0.00 -0.75 -4.91 120.51 116.17 3bzf n ALA 150 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 3bzf n ALA 150 Cb 0.28 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 3bzf n ALA 150 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bzf n SER 151 N 0.24 -4.15 0.27 0.00 2.88 -0.82 -4.89 113.62 107.14 3bzf n SER 151 Ca 0.18 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.84 3bzf n SER 151 Cb 0.36 -3.31 0.73 0.00 -0.75 0.00 0.00 64.21 61.24 3bzf n SER 151 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3bzf h GLU 152 N 0.00 0.00 -0.96 -1.46 4.39 -1.42 -2.83 114.58 112.30 3bzf h GLU 152 Ca -0.31 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.57 3bzf h GLU 152 Cb 1.21 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.76 3bzf h GLU 152 CO 0.37 0.09 0.55 0.00 -1.16 0.00 0.00 179.01 178.86 3bzf h ALA 153 N 1.91 1.56 -0.82 3.43 0.00 -1.84 -1.93 119.26 121.57 3bzf h ALA 153 Ca -0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3bzf h ALA 153 Cb 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3bzf h ALA 153 CO 0.01 -0.10 0.54 1.49 0.00 0.00 0.00 179.25 181.20 3bzf h GLU 154 N 0.69 1.02 -0.10 0.00 4.57 -1.73 0.13 114.58 119.16 3bzf h GLU 154 Ca 0.55 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 58.48 3bzf h GLU 154 Cb 0.87 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3bzf h GLU 154 CO -0.40 0.68 -0.75 0.45 -1.18 0.00 0.00 179.01 177.81 3bzf h HIS 155 N 1.05 0.70 -0.43 0.92 3.86 -1.52 -2.41 115.15 117.32 3bzf h HIS 155 Ca 0.32 -0.31 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 3bzf h HIS 155 Cb -0.03 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3bzf h HIS 155 CO -0.00 1.09 -0.18 1.96 0.86 0.00 0.00 177.93 181.66 3bzf h GLN 156 N 0.35 0.89 -0.81 2.45 1.08 -1.37 -2.14 115.11 115.57 3bzf h GLN 156 Ca -0.04 -0.38 0.02 0.00 -1.45 0.00 0.00 58.65 56.81 3bzf h GLN 156 Cb 1.34 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.69 3bzf h GLN 156 CO 0.14 1.02 0.52 -0.09 -0.95 0.00 0.00 178.83 179.47 3bzf h ARG 157 N 0.72 1.01 -0.30 1.46 2.43 -0.76 0.11 114.38 119.03 3bzf h ARG 157 Ca 0.10 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3bzf h ARG 157 Cb 0.74 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3bzf h ARG 157 CO 0.06 0.67 0.17 0.00 -1.51 0.00 0.00 179.97 179.36 3bzf h ALA 158 N 1.32 0.38 0.10 2.80 0.00 -1.31 -0.54 119.26 122.00 3bzf h ALA 158 Ca 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3bzf h ALA 158 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bzf h ALA 158 CO -0.09 -0.20 -0.05 -0.92 0.00 0.00 0.00 179.25 177.99 3bzf h TYR 159 N 0.36 -0.12 -0.45 0.00 3.20 -0.79 -0.82 116.97 118.34 3bzf h TYR 159 Ca 0.12 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 3bzf h TYR 159 Cb 0.01 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3bzf h TYR 159 CO -0.08 -0.00 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.27 3bzf h LEU 160 N -0.22 0.79 0.00 2.82 3.38 -0.75 0.38 115.31 121.71 3bzf h LEU 160 Ca -0.01 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3bzf h LEU 160 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3bzf h LEU 160 CO 0.02 0.91 -0.77 -0.33 0.09 0.00 0.00 178.44 178.36 3bzf h GLU 161 N 0.73 0.00 0.00 1.13 5.08 -1.13 -3.38 114.58 117.01 3bzf h GLU 161 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3bzf h GLU 161 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3bzf h GLU 161 CO 0.04 0.35 0.00 -0.25 -1.00 0.00 0.00 179.01 178.15 3bzf n ASP 162 N -3.07 0.00 0.05 1.42 9.92 -0.33 -4.57 116.55 119.98 3bzf n ASP 162 Ca -0.01 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.14 3bzf n ASP 162 Cb 0.73 -0.06 -0.04 0.00 -0.64 0.00 0.00 41.12 41.10 3bzf n ASP 162 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3bzf h THR 163 N 0.00 0.54 -0.42 -3.53 2.02 -1.31 0.40 112.91 110.61 3bzf h THR 163 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3bzf h THR 163 Cb 0.00 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3bzf h THR 163 CO 0.00 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.13 3bzf h VAL 165 N 0.49 0.94 -0.83 0.00 2.07 -1.45 0.00 116.25 117.49 3bzf h VAL 165 Ca 0.17 -0.32 0.18 0.00 0.82 0.00 0.00 66.70 67.55 3bzf h VAL 165 Cb 0.02 1.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 3bzf h VAL 165 CO -0.08 0.08 0.33 -0.33 0.02 0.00 0.00 177.57 177.59 3bzf h GLU 166 N -0.33 0.40 0.03 1.57 5.08 0.45 -1.08 114.58 120.70 3bzf h GLU 166 Ca -0.02 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 3bzf h GLU 166 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3bzf h GLU 166 CO 0.03 0.26 -0.97 -1.49 -1.00 0.00 0.00 179.01 175.84 3bzf h TRP 167 N 0.41 0.36 -0.98 4.33 4.06 -0.76 -2.80 115.95 120.57 3bzf h TRP 167 Ca 0.49 -0.22 0.13 0.00 2.06 0.00 0.00 58.89 61.35 3bzf h TRP 167 Cb 0.84 -0.03 -0.09 0.00 -1.00 0.00 0.00 29.16 28.88 3bzf h TRP 167 CO -0.17 1.07 0.60 1.25 -3.56 0.00 0.00 178.44 177.64 3bzf h LEU 168 N 0.11 0.86 -0.75 -4.49 5.85 0.30 0.16 115.31 117.35 3bzf h LEU 168 Ca -0.07 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3bzf h LEU 168 Cb 1.64 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 3bzf h LEU 168 CO 0.15 0.43 -0.42 0.45 -0.34 0.00 0.00 178.44 178.72 3bzf h HIS 169 N 0.92 0.54 -0.30 1.25 3.86 -1.32 -2.06 115.15 118.05 3bzf h HIS 169 Ca 0.50 -0.16 -0.19 0.00 -1.16 0.00 0.00 60.37 59.37 3bzf h HIS 169 Cb 0.55 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3bzf h HIS 169 CO -0.01 0.80 -0.54 0.87 0.86 0.00 0.00 177.93 179.91 3bzf h LYS 170 N 0.38 0.89 -0.35 2.45 1.57 -0.97 -1.91 116.57 118.63 3bzf h LYS 170 Ca 0.03 -0.56 -0.05 0.00 -1.87 0.00 0.00 60.65 58.20 3bzf h LYS 170 Cb 0.89 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3bzf h LYS 170 CO 0.08 1.20 0.03 1.88 -0.57 0.00 0.00 179.45 182.06 3bzf h TYR 171 N 0.69 0.64 -0.41 -1.35 0.05 -0.82 0.16 116.97 115.94 3bzf h TYR 171 Ca 0.02 -0.10 0.08 0.00 0.05 0.00 0.00 58.73 58.78 3bzf h TYR 171 Cb 1.15 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.64 3bzf h TYR 171 CO 0.07 0.68 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.67 3bzf h LEU 172 N 0.42 -0.44 0.35 3.88 3.38 -1.33 -1.31 115.31 120.26 3bzf h LEU 172 Ca 0.10 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3bzf h LEU 172 Cb 0.40 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3bzf h LEU 172 CO 0.01 -0.16 -0.41 -0.08 0.09 0.00 0.00 178.44 177.89 3bzf h GLU 173 N -0.03 -0.77 -0.37 1.13 4.57 -0.98 0.57 114.58 118.69 3bzf h GLU 173 Ca 0.20 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.54 3bzf h GLU 173 Cb 0.33 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3bzf h GLU 173 CO -0.43 -0.51 0.41 0.87 -1.18 0.00 0.00 179.01 178.17 3bzf h LYS 174 N -0.80 0.00 -0.08 1.92 1.57 -0.12 -2.15 116.57 116.92 3bzf h LYS 174 Ca -0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3bzf h LYS 174 Cb 0.73 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.89 3bzf h LYS 174 CO -0.11 0.00 -0.68 0.41 -0.57 0.00 0.00 179.45 178.50 3bzf n GLY 175 N -1.47 4.12 0.07 3.86 0.00 -0.54 -4.81 105.19 106.41 3bzf n GLY 175 Ca 0.06 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 3bzf n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bzf h LYS 176 N 1.16 0.12 -0.16 1.61 2.10 0.80 0.68 116.57 122.87 3bzf h LYS 176 Ca -0.03 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.63 3bzf h LYS 176 Cb 1.28 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 3bzf h LYS 176 CO 0.10 0.08 -0.09 -0.85 -2.00 0.00 0.00 179.45 176.68 3bzf n GLU 177 N -5.03 -0.07 -0.07 0.07 -0.00 -1.26 -2.37 120.64 111.91 3bzf n GLU 177 Ca -0.05 0.25 -0.09 0.00 -0.00 0.00 0.00 57.16 57.26 3bzf n GLU 177 Cb 0.03 -0.36 -0.08 0.00 -0.00 0.00 0.00 31.44 31.03 3bzf n GLU 177 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3bzf n THR 178 N -4.10 0.86 -0.01 3.84 -2.24 -1.06 -4.48 114.28 107.09 3bzf n THR 178 Ca 0.00 -0.38 0.14 0.00 -2.27 0.00 0.00 64.05 61.55 3bzf n THR 178 Cb 0.04 -0.94 0.58 0.00 -2.10 0.00 0.00 70.33 67.91 3bzf n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3bzf h LEU 179 N 0.00 0.19 -2.26 3.22 4.07 -0.75 -1.49 115.31 118.29 3bzf h LEU 179 Ca -0.34 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.63 3bzf h LEU 179 Cb 1.59 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.29 3bzf h LEU 179 CO -0.03 0.12 0.00 0.18 -1.08 0.00 0.00 178.44 177.62 3bzf n LEU 180 N -4.45 3.29 -4.74 1.67 4.77 -1.00 -4.92 117.00 111.63 3bzf n LEU 180 Ca 0.08 -1.45 -0.39 0.00 -0.03 0.00 0.00 56.01 54.23 3bzf n LEU 180 Cb 0.43 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3bzf n LEU 180 CO 0.35 0.69 0.35 -2.28 -1.33 0.00 0.00 177.39 175.18 3bzf s HIS 181 N -1.47 3.64 -0.39 -1.77 2.46 -0.56 -5.02 115.29 112.18 3bzf s HIS 181 Ca 0.35 1.24 -0.10 0.00 0.47 0.00 0.00 55.06 57.02 3bzf s HIS 181 Cb 0.21 -2.71 0.05 0.00 -0.13 0.00 0.00 32.58 30.00 3bzf s HIS 181 CO 0.29 0.23 0.22 -0.51 -2.47 0.00 0.00 174.74 172.50 3bzf s LEU 182 N 0.25 4.86 -0.51 8.88 1.43 -1.26 -4.77 118.68 127.56 3bzf s LEU 182 Ca 0.34 -1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 3bzf s LEU 182 Cb -0.18 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.10 3bzf s LEU 182 CO 0.18 -0.44 0.68 -0.70 0.23 0.00 0.00 176.35 176.29 3bzf s GLU 183 N 1.49 3.16 0.61 1.70 2.56 -0.98 -4.74 118.70 122.51 3bzf s GLU 183 Ca 0.02 -0.76 -0.18 0.00 0.00 0.00 0.00 54.97 54.05 3bzf s GLU 183 Cb -0.21 -4.08 -0.03 0.00 2.00 0.00 0.00 34.13 31.81 3bzf s GLU 183 CO 0.05 -1.25 1.17 -1.25 -0.56 0.00 0.00 175.26 173.41 3bzf s PRO 184 N 2.85 2.93 0.28 4.30 0.04 -1.26 -1.27 135.00 142.87 3bzf s PRO 184 Ca 0.18 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 3bzf s PRO 184 Cb -0.18 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3bzf s PRO 184 CO 0.13 -1.21 1.03 -1.25 0.04 0.00 0.00 177.00 175.75 3bzf s PRO 185 N -3.54 4.66 -0.42 0.56 0.04 -1.26 -4.51 135.00 130.52 3bzf s PRO 185 Ca 0.74 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 3bzf s PRO 185 Cb -0.27 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.16 3bzf s PRO 185 CO 0.35 0.28 0.94 0.15 0.04 0.00 0.00 177.00 178.75 3bzf s LYS 186 N -1.50 3.67 0.06 4.56 1.02 -0.14 -4.79 119.74 122.62 3bzf s LYS 186 Ca 0.45 0.35 -0.01 0.00 0.02 0.00 0.00 55.97 56.78 3bzf s LYS 186 Cb -0.28 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 3bzf s LYS 186 CO 0.36 -1.12 0.22 0.95 -0.92 0.00 0.00 175.35 174.84 3bzf s THR 187 N 3.68 5.37 -0.01 2.17 -4.23 -1.26 -1.66 115.64 119.70 3bzf s THR 187 Ca 0.38 -0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 60.27 3bzf s THR 187 Cb -0.11 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 70.21 3bzf s THR 187 CO 0.24 0.14 0.83 -1.38 -0.54 0.00 0.00 174.62 173.91 3bzf s HIS 188 N -1.51 -0.43 -0.11 3.99 -3.43 -1.00 -4.99 115.29 107.80 3bzf s HIS 188 Ca 0.35 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 55.04 3bzf s HIS 188 Cb -0.13 0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 31.51 3bzf s HIS 188 CO 0.27 -0.57 -0.11 0.08 -2.00 0.00 0.00 174.74 172.41 3bzf s VAL 189 N -2.59 3.24 0.24 -5.38 1.01 -1.26 -0.65 120.40 115.02 3bzf s VAL 189 Ca 0.01 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.47 3bzf s VAL 189 Cb -0.01 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3bzf s VAL 189 CO -0.05 0.54 -0.00 0.42 0.00 0.00 0.00 175.10 176.00 3bzf s THR 190 N 0.06 3.52 -0.17 3.92 -4.23 0.19 -4.72 115.64 114.22 3bzf s THR 190 Ca -0.04 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 3bzf s THR 190 Cb -0.14 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.86 3bzf s THR 190 CO 0.04 -0.31 -0.18 -2.28 -0.54 0.00 0.00 174.62 171.36 3bzf s HIS 191 N -2.16 2.54 -0.29 3.99 2.46 -1.26 -1.06 115.29 119.51 3bzf s HIS 191 Ca 0.30 -1.47 0.02 0.00 0.47 0.00 0.00 55.06 54.38 3bzf s HIS 191 Cb -0.07 -1.79 0.08 0.00 -0.13 0.00 0.00 32.58 30.67 3bzf s HIS 191 CO 0.19 -0.75 0.01 -1.01 -2.47 0.00 0.00 174.74 170.71 3bzf s HIS 192 N 1.36 2.88 0.41 3.88 3.76 -0.30 -4.97 115.29 122.31 3bzf s HIS 192 Ca 0.05 -2.29 -0.25 0.00 -0.15 0.00 0.00 55.06 52.41 3bzf s HIS 192 Cb -0.13 -2.16 -0.08 0.00 1.11 0.00 0.00 32.58 31.32 3bzf s HIS 192 CO -0.12 -0.87 1.22 -1.25 -0.85 0.00 0.00 174.74 172.87 3bzf s PRO 193 N 1.22 3.97 -0.15 8.40 0.04 -1.26 0.58 135.00 147.81 3bzf s PRO 193 Ca 0.03 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3bzf s PRO 193 Cb -0.19 -2.68 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 3bzf s PRO 193 CO -0.11 -0.42 -0.14 -0.89 0.04 0.00 0.00 177.00 175.48 3bzf n ILE 194 N 0.03 0.85 -2.79 0.56 5.41 -0.89 -4.80 119.36 117.73 3bzf n ILE 194 Ca 0.04 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3bzf n ILE 194 Cb 0.45 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.29 3bzf n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3bzf n SER 195 N -3.02 0.00 0.20 4.38 3.41 -0.32 -4.97 113.62 113.31 3bzf n SER 195 Ca -0.27 -0.59 0.09 0.00 -0.26 0.00 0.00 58.87 57.85 3bzf n SER 195 Cb 0.77 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.99 3bzf n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bzf h ASP 196 N 0.00 0.00 0.15 4.04 3.32 -2.02 -3.30 116.42 118.61 3bzf h ASP 196 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3bzf h ASP 196 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3bzf h ASP 196 CO 0.00 0.20 -1.55 0.45 -1.72 0.00 0.00 179.24 176.63 3bzf h HIS 197 N 0.00 0.58 -3.77 4.55 3.86 -1.95 -3.41 115.15 115.01 3bzf h HIS 197 Ca -0.00 -0.42 -0.27 0.00 -1.16 0.00 0.00 60.37 58.52 3bzf h HIS 197 Cb 0.99 -0.02 -0.15 0.00 1.06 0.00 0.00 27.41 29.29 3bzf h HIS 197 CO 0.00 1.60 -0.68 -1.21 0.86 0.00 0.00 177.93 178.51 3bzf s GLU 198 N -2.52 1.01 0.09 2.45 2.02 -1.24 0.70 118.70 121.21 3bzf s GLU 198 Ca -0.18 -1.46 -0.16 0.00 0.02 0.00 0.00 54.97 53.19 3bzf s GLU 198 Cb 0.05 -0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.05 3bzf s GLU 198 CO 0.81 -0.08 0.39 0.00 0.02 0.00 0.00 175.26 176.40 3bzf s ALA 199 N -3.63 -0.92 -0.15 5.21 0.00 -0.78 -1.17 121.76 120.32 3bzf s ALA 199 Ca 0.19 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 3bzf s ALA 199 Cb 0.06 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3bzf s ALA 199 CO 0.01 -0.55 0.24 0.99 0.00 0.00 0.00 175.76 176.45 3bzf s THR 200 N -3.19 5.33 -0.22 0.00 2.01 0.20 -1.29 115.64 118.48 3bzf s THR 200 Ca -0.01 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 3bzf s THR 200 Cb 0.01 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3bzf s THR 200 CO -0.08 0.46 0.08 -0.76 -0.69 0.00 0.00 174.62 173.63 3bzf s LEU 201 N 0.03 3.67 -0.16 4.42 1.43 -0.82 -1.15 118.68 126.10 3bzf s LEU 201 Ca 0.15 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3bzf s LEU 201 Cb -0.13 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3bzf s LEU 201 CO 0.04 0.06 -0.19 -0.60 0.23 0.00 0.00 176.35 175.89 3bzf s ARG 202 N 1.04 2.80 -0.32 1.70 3.52 -0.22 -1.67 118.95 125.79 3bzf s ARG 202 Ca 0.04 -0.76 -0.13 0.00 -0.13 0.00 0.00 55.73 54.75 3bzf s ARG 202 Cb -0.14 -2.41 -0.02 0.00 -1.56 0.00 0.00 34.95 30.82 3bzf s ARG 202 CO 0.03 -0.18 0.29 0.00 -0.81 0.00 0.00 175.30 174.63 3bzf s TRP 204 N 1.87 3.41 -0.27 0.00 0.52 0.18 -1.33 118.94 123.32 3bzf s TRP 204 Ca 0.09 0.32 -0.02 0.00 0.02 0.00 0.00 56.10 56.52 3bzf s TRP 204 Cb -0.17 -2.13 0.04 0.00 -1.15 0.00 0.00 33.47 30.06 3bzf s TRP 204 CO 0.11 0.32 -0.03 0.00 0.02 0.00 0.00 176.95 177.37 3bzf s ALA 205 N 0.21 2.76 0.03 0.98 0.00 -0.39 -2.38 121.76 122.97 3bzf s ALA 205 Ca 0.08 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.50 3bzf s ALA 205 Cb -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 3bzf s ALA 205 CO -0.01 -1.03 -0.15 -0.51 0.00 0.00 0.00 175.76 174.06 3bzf s LEU 206 N 1.30 2.15 -0.97 0.00 1.43 -0.66 -2.05 118.68 119.87 3bzf s LEU 206 Ca -0.02 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3bzf s LEU 206 Cb -0.18 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.35 3bzf s LEU 206 CO -0.03 0.08 0.38 0.61 0.23 0.00 0.00 176.35 177.62 3bzf n GLY 207 N 2.02 -0.07 3.87 -3.19 0.00 -0.76 -0.97 105.19 106.09 3bzf n GLY 207 Ca -0.17 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3bzf n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bzf s PHE 208 N -2.93 2.89 -0.27 1.61 -0.71 -0.93 -4.69 117.98 112.95 3bzf s PHE 208 Ca 0.19 -0.33 -0.21 0.00 -1.04 0.00 0.00 56.93 55.54 3bzf s PHE 208 Cb -0.08 -1.88 0.07 0.00 -1.21 0.00 0.00 43.02 39.92 3bzf s PHE 208 CO 0.23 0.11 0.69 -0.47 -1.34 0.00 0.00 175.22 174.44 3bzf s TYR 209 N -2.32 -0.87 1.17 3.49 6.14 -0.40 -0.59 117.35 123.97 3bzf s TYR 209 Ca 0.43 1.95 -0.20 0.00 0.64 0.00 0.00 57.07 59.89 3bzf s TYR 209 Cb -0.06 0.40 0.29 0.00 0.42 0.00 0.00 41.96 43.01 3bzf s TYR 209 CO 0.27 -0.43 0.93 -0.35 0.64 0.00 0.00 175.55 176.62 3bzf n PRO 210 N 3.32 -3.38 0.08 4.97 -0.04 -1.26 -2.31 135.00 136.38 3bzf n PRO 210 Ca -0.16 -1.51 -0.04 0.00 -0.04 0.00 0.00 63.50 61.75 3bzf n PRO 210 Cb 0.57 -1.54 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 3bzf n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bzf h ALA 211 N -2.88 0.99 -2.04 0.55 0.00 -1.94 -3.45 119.26 110.49 3bzf h ALA 211 Ca -0.37 -0.46 -0.62 0.00 0.00 0.00 0.00 54.91 53.46 3bzf h ALA 211 Cb 1.15 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.89 3bzf h ALA 211 CO 0.23 0.64 0.81 -1.91 0.00 0.00 0.00 179.25 179.03 3bzf n GLU 212 N -3.98 1.88 -3.47 0.00 4.07 -1.26 -4.97 120.64 112.92 3bzf n GLU 212 Ca -0.02 0.68 -0.11 0.00 -0.06 0.00 0.00 57.16 57.65 3bzf n GLU 212 Cb 0.53 -2.44 -0.03 0.00 -0.06 0.00 0.00 31.44 29.44 3bzf n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3bzf s ILE 213 N 1.78 0.00 -0.06 6.31 2.07 -1.26 -4.72 121.20 125.32 3bzf s ILE 213 Ca 0.85 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 60.08 3bzf s ILE 213 Cb -0.77 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.85 3bzf s ILE 213 CO 0.45 0.00 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.58 3bzf s THR 214 N -3.13 0.42 -0.15 4.00 2.01 -0.51 -5.00 115.64 113.29 3bzf s THR 214 Ca 0.01 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3bzf s THR 214 Cb -0.01 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.97 3bzf s THR 214 CO -0.08 0.24 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.14 3bzf s LEU 215 N 1.57 2.28 0.04 4.42 1.43 -1.26 -1.88 118.68 125.28 3bzf s LEU 215 Ca -0.01 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3bzf s LEU 215 Cb -0.13 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3bzf s LEU 215 CO -0.03 0.08 -0.03 0.42 0.23 0.00 0.00 176.35 177.01 3bzf s THR 216 N 0.83 0.22 0.09 5.49 -4.23 -0.72 -4.98 115.64 112.33 3bzf s THR 216 Ca -0.06 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 3bzf s THR 216 Cb -0.15 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 3bzf s THR 216 CO -0.01 -0.83 -0.11 0.26 -0.54 0.00 0.00 174.62 173.39 3bzf s TRP 217 N -3.11 2.73 0.04 3.99 0.52 -1.26 0.42 118.94 122.27 3bzf s TRP 217 Ca -0.00 -0.16 0.04 0.00 0.02 0.00 0.00 56.10 56.00 3bzf s TRP 217 Cb 0.02 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.87 3bzf s TRP 217 CO -0.07 0.40 -0.11 -0.65 0.02 0.00 0.00 176.95 176.55 3bzf s GLN 218 N -2.06 0.70 -0.20 4.98 -0.21 0.94 -2.58 119.66 121.22 3bzf s GLN 218 Ca 0.20 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 54.85 3bzf s GLN 218 Cb -0.11 -0.62 0.04 0.00 1.00 0.00 0.00 33.01 33.32 3bzf s GLN 218 CO 0.12 0.14 -0.12 1.14 -2.12 0.00 0.00 175.29 174.45 3bzf s GLN 219 N -1.33 2.22 -1.31 2.91 -2.07 -0.09 -1.09 119.66 118.91 3bzf s GLN 219 Ca -0.03 -0.90 -0.01 0.00 -1.82 0.00 0.00 55.36 52.59 3bzf s GLN 219 Cb -0.08 -2.49 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 3bzf s GLN 219 CO 0.01 -0.41 0.13 -0.25 -1.32 0.00 0.00 175.29 173.45 3bzf n ASP 220 N 4.64 -4.81 -0.41 12.60 10.43 0.74 -2.65 116.55 137.09 3bzf n ASP 220 Ca -0.16 -0.07 -0.05 0.00 2.57 0.00 0.00 54.79 57.08 3bzf n ASP 220 Cb 0.47 -3.86 -0.02 0.00 1.84 0.00 0.00 41.12 39.54 3bzf n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3bzf n GLY 221 N -1.11 0.78 3.35 0.44 0.00 -1.26 -5.05 105.19 102.34 3bzf n GLY 221 Ca -0.16 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3bzf n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bzf s GLU 222 N -2.18 2.54 0.15 1.61 0.41 -1.08 -5.07 118.70 115.08 3bzf s GLU 222 Ca 0.00 -0.82 -0.27 0.00 -0.41 0.00 0.00 54.97 53.47 3bzf s GLU 222 Cb 0.00 -2.25 -0.16 0.00 -1.78 0.00 0.00 34.13 29.94 3bzf s GLU 222 CO 0.00 0.47 0.55 0.41 -0.49 0.00 0.00 175.26 176.20 3bzf n GLY 223 N 2.72 -1.38 2.80 -1.39 0.00 -1.26 -0.91 105.19 105.77 3bzf n GLY 223 Ca -0.17 0.37 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 3bzf n GLY 223 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3bzf s HIS 224 N -0.77 -0.55 -2.02 1.61 2.46 -1.07 -4.68 115.29 110.28 3bzf s HIS 224 Ca 0.62 -0.26 0.24 0.00 0.47 0.00 0.00 55.06 56.13 3bzf s HIS 224 Cb -0.89 -0.37 0.18 0.00 -0.13 0.00 0.00 32.58 31.37 3bzf s HIS 224 CO 0.51 -0.95 1.21 2.41 -2.47 0.00 0.00 174.74 175.44 3bzf n THR 225 N 5.00 0.00 -2.29 0.89 -1.04 -1.26 -4.60 114.28 110.98 3bzf n THR 225 Ca 0.02 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.38 3bzf n THR 225 Cb 0.47 1.07 -0.03 0.00 -1.82 0.00 0.00 70.33 70.02 3bzf n THR 225 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3bzf s GLN 226 N -2.46 4.38 -1.49 -2.82 -0.21 -1.26 -2.54 119.66 113.25 3bzf s GLN 226 Ca 0.20 1.93 -0.12 0.00 0.02 0.00 0.00 55.36 57.39 3bzf s GLN 226 Cb 0.18 -3.29 0.07 0.00 1.00 0.00 0.00 33.01 30.97 3bzf s GLN 226 CO 0.55 -0.34 0.99 -0.25 -2.12 0.00 0.00 175.29 174.12 3bzf n ASP 227 N 3.84 -5.18 -4.87 5.90 8.00 -1.26 -4.75 116.55 118.23 3bzf n ASP 227 Ca 0.10 -0.69 -0.23 0.00 0.71 0.00 0.00 54.79 54.67 3bzf n ASP 227 Cb 0.44 -4.12 -0.04 0.00 -0.02 0.00 0.00 41.12 37.38 3bzf n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3bzf s THR 228 N -3.28 4.77 -0.27 -3.53 2.01 -1.05 -1.51 115.64 112.77 3bzf s THR 228 Ca 0.63 -1.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 3bzf s THR 228 Cb -0.31 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 68.76 3bzf s THR 228 CO 0.77 -0.24 0.73 -0.70 -0.69 0.00 0.00 174.62 174.50 3bzf s GLU 229 N -3.58 0.78 -0.05 4.92 2.12 -0.52 -4.98 118.70 117.38 3bzf s GLU 229 Ca 0.33 1.03 -0.02 0.00 0.36 0.00 0.00 54.97 56.66 3bzf s GLU 229 Cb -0.09 0.33 0.04 0.00 0.26 0.00 0.00 34.13 34.67 3bzf s GLU 229 CO 0.26 -0.11 0.10 -1.17 -0.54 0.00 0.00 175.26 173.80 3bzf s LEU 230 N 0.68 0.44 0.51 2.70 2.96 -1.26 -0.71 118.68 124.00 3bzf s LEU 230 Ca -0.02 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.01 3bzf s LEU 230 Cb -0.05 0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.73 3bzf s LEU 230 CO -0.05 -0.19 0.85 0.68 -1.32 0.00 0.00 176.35 176.32 3bzf s VAL 231 N 1.69 4.83 0.39 1.68 -7.23 -1.00 -5.03 120.40 115.74 3bzf s VAL 231 Ca -0.02 0.46 -0.27 0.00 -1.81 0.00 0.00 61.98 60.33 3bzf s VAL 231 Cb -0.12 -3.84 -0.09 0.00 0.56 0.00 0.00 36.38 32.88 3bzf s VAL 231 CO -0.05 -0.87 1.37 -1.61 -0.31 0.00 0.00 175.10 173.63 3bzf s GLU 232 N -4.71 4.02 0.22 4.82 2.02 -1.26 -4.66 118.70 119.15 3bzf s GLU 232 Ca 0.50 2.31 -0.32 0.00 0.02 0.00 0.00 54.97 57.48 3bzf s GLU 232 Cb -0.10 -2.85 -0.13 0.00 0.10 0.00 0.00 34.13 31.15 3bzf s GLU 232 CO 0.45 -0.50 1.51 2.41 0.02 0.00 0.00 175.26 179.14 3bzf n THR 233 N 0.27 0.63 -4.37 3.63 -1.04 -1.26 -4.84 114.28 107.30 3bzf n THR 233 Ca 0.03 -0.16 -0.23 0.00 -2.04 0.00 0.00 64.05 61.65 3bzf n THR 233 Cb 0.42 -1.60 -0.11 0.00 -1.82 0.00 0.00 70.33 67.22 3bzf n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bzf s ARG 234 N 0.05 1.38 0.02 -2.82 1.70 -0.95 -4.97 118.95 113.37 3bzf s ARG 234 Ca 0.71 -1.48 -0.30 0.00 -0.47 0.00 0.00 55.73 54.19 3bzf s ARG 234 Cb -0.62 -1.50 -0.04 0.00 -0.57 0.00 0.00 34.95 32.22 3bzf s ARG 234 CO 0.45 0.31 0.96 -1.25 -1.08 0.00 0.00 175.30 174.69 3bzf s PRO 235 N -2.87 4.59 0.37 3.89 0.04 -1.26 -0.93 135.00 138.83 3bzf s PRO 235 Ca 0.19 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.70 3bzf s PRO 235 Cb -0.06 -3.44 0.74 0.00 0.04 0.00 0.00 34.50 31.78 3bzf s PRO 235 CO 0.08 0.02 1.93 0.00 0.04 0.00 0.00 177.00 179.07 3bzf h ALA 236 N 6.50 1.50 0.00 8.56 0.00 -1.43 -3.46 119.26 130.92 3bzf h ALA 236 Ca -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3bzf h ALA 236 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3bzf h ALA 236 CO 0.74 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.76 3bzf n GLY 237 N -0.98 0.58 0.24 0.00 0.00 -1.26 -4.92 105.19 98.86 3bzf n GLY 237 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3bzf n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bzf n ASP 238 N 0.00 2.64 0.00 1.61 5.75 -1.26 -4.95 116.55 120.33 3bzf n ASP 238 Ca 0.00 -2.94 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 3bzf n ASP 238 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3bzf n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bzf n GLY 239 N -1.11 3.21 3.99 6.12 0.00 -1.26 -5.05 105.19 111.10 3bzf n GLY 239 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3bzf n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bzf s THR 240 N -2.98 2.28 0.26 2.61 -4.23 -1.26 -4.94 115.64 107.39 3bzf s THR 240 Ca 0.00 -0.68 0.06 0.00 -1.18 0.00 0.00 61.69 59.89 3bzf s THR 240 Cb 0.00 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.18 3bzf s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 3bzf s PHE 241 N -2.96 1.86 0.21 3.99 0.40 0.24 -1.15 117.98 120.57 3bzf s PHE 241 Ca 0.63 -0.73 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 3bzf s PHE 241 Cb -0.07 -1.05 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 3bzf s PHE 241 CO 0.42 0.22 -0.06 -0.65 0.70 0.00 0.00 175.22 175.85 3bzf s GLN 242 N -3.75 1.29 -0.27 0.44 -0.21 -0.10 -1.83 119.66 115.23 3bzf s GLN 242 Ca 0.29 -1.62 -0.29 0.00 0.02 0.00 0.00 55.36 53.76 3bzf s GLN 242 Cb 0.04 -0.77 0.18 0.00 1.00 0.00 0.00 33.01 33.46 3bzf s GLN 242 CO 0.11 0.01 1.32 0.21 -2.12 0.00 0.00 175.29 174.81 3bzf s LYS 243 N -3.78 0.13 0.01 2.91 2.20 -0.87 -2.23 119.74 118.12 3bzf s LYS 243 Ca 0.25 0.05 -0.13 0.00 -0.36 0.00 0.00 55.97 55.77 3bzf s LYS 243 Cb 0.04 0.06 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 3bzf s LYS 243 CO 0.07 -0.04 0.28 1.67 -0.36 0.00 0.00 175.35 176.96 3bzf s TRP 244 N -0.89 -0.10 0.02 4.03 1.48 -1.26 -1.26 118.94 120.95 3bzf s TRP 244 Ca 0.07 0.05 0.06 0.00 -1.06 0.00 0.00 56.10 55.23 3bzf s TRP 244 Cb -0.01 0.07 -0.02 0.00 -1.16 0.00 0.00 33.47 32.34 3bzf s TRP 244 CO -0.08 -0.43 -0.18 0.00 -4.06 0.00 0.00 176.95 172.21 3bzf s ALA 245 N -1.93 1.53 0.03 2.67 0.00 -0.44 -2.36 121.76 121.26 3bzf s ALA 245 Ca -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3bzf s ALA 245 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3bzf s ALA 245 CO 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 175.76 175.99 3bzf s ALA 246 N -0.66 1.00 -0.08 0.00 0.00 0.11 -0.12 121.76 122.01 3bzf s ALA 246 Ca 0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 3bzf s ALA 246 Cb -0.08 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.93 3bzf s ALA 246 CO 0.01 0.18 0.18 0.54 0.00 0.00 0.00 175.76 176.67 3bzf s VAL 247 N -0.80 -0.04 -0.28 0.00 0.11 -0.67 -1.44 120.40 117.28 3bzf s VAL 247 Ca 0.00 0.14 -0.25 0.00 -2.93 0.00 0.00 61.98 58.94 3bzf s VAL 247 Cb -0.07 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 3bzf s VAL 247 CO 0.01 0.06 0.85 -0.69 -3.33 0.00 0.00 175.10 172.00 3bzf s VAL 248 N 1.00 4.77 0.01 2.04 1.01 -0.57 -1.94 120.40 126.72 3bzf s VAL 248 Ca -0.07 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.43 3bzf s VAL 248 Cb -0.09 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3bzf s VAL 248 CO -0.06 -0.20 -0.23 -0.69 0.00 0.00 0.00 175.10 173.92 3bzf s VAL 249 N 3.01 2.39 0.33 2.92 1.01 -0.41 -4.95 120.40 124.70 3bzf s VAL 249 Ca 0.36 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 3bzf s VAL 249 Cb -0.14 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 3bzf s VAL 249 CO 0.10 0.46 1.19 -2.84 0.00 0.00 0.00 175.10 174.02 3bzf s PRO 250 N -1.00 4.37 0.08 2.72 0.02 -1.26 -1.87 135.00 138.06 3bzf s PRO 250 Ca 0.12 1.95 -0.37 0.00 0.02 0.00 0.00 61.00 62.72 3bzf s PRO 250 Cb -0.10 -2.99 -0.17 0.00 0.02 0.00 0.00 34.50 31.25 3bzf s PRO 250 CO 0.01 -0.08 1.22 0.43 -0.33 0.00 0.00 177.00 178.25 3bzf n SER 251 N 0.71 1.08 0.00 2.53 7.64 0.22 -0.77 113.62 125.03 3bzf n SER 251 Ca 0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.02 3bzf n SER 251 Cb 0.44 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 3bzf n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bzf n GLY 252 N 2.16 0.55 0.57 0.23 0.00 -1.26 -4.87 105.19 102.56 3bzf n GLY 252 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 3bzf n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bzf n GLU 253 N -2.04 0.98 -0.34 1.61 -0.58 0.05 -4.70 120.64 115.62 3bzf n GLU 253 Ca 0.00 -1.34 0.19 0.00 -0.42 0.00 0.00 57.16 55.59 3bzf n GLU 253 Cb 0.07 -1.27 0.42 0.00 -0.57 0.00 0.00 31.44 30.09 3bzf n GLU 253 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3bzf h GLU 254 N 2.77 0.51 0.00 3.49 3.07 -1.90 0.57 114.58 123.10 3bzf h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3bzf h GLU 254 Cb 0.59 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3bzf h GLU 254 CO 0.00 0.34 0.00 1.04 -1.40 0.00 0.00 179.01 178.99 3bzf n GLN 255 N -4.80 0.52 0.02 2.33 1.13 -1.26 -1.19 117.38 114.13 3bzf n GLN 255 Ca 0.26 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.44 3bzf n GLN 255 Cb 0.79 -1.43 0.23 0.00 0.11 0.00 0.00 30.24 29.93 3bzf n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3bzf n ARG 256 N -0.93 0.12 -4.08 -1.09 1.74 0.20 -4.86 116.66 107.76 3bzf n ARG 256 Ca 0.11 0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.87 3bzf n ARG 256 Cb 0.05 -1.57 -0.12 0.00 -1.02 0.00 0.00 32.46 29.80 3bzf n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3bzf s TYR 257 N -3.07 3.06 0.01 -1.55 1.51 -0.33 -0.18 117.35 116.79 3bzf s TYR 257 Ca 0.09 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 3bzf s TYR 257 Cb 0.16 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3bzf s TYR 257 CO 0.71 -0.19 -0.22 0.95 -1.11 0.00 0.00 175.55 175.68 3bzf s THR 258 N 0.93 1.76 -0.12 -0.71 -4.23 -0.25 -4.67 115.64 108.35 3bzf s THR 258 Ca 0.01 -1.06 -0.05 0.00 -1.18 0.00 0.00 61.69 59.42 3bzf s THR 258 Cb -0.14 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 3bzf s THR 258 CO 0.02 0.40 0.06 0.00 -0.54 0.00 0.00 174.62 174.56 3bzf s HIS 260 N -0.62 2.66 -0.21 0.00 3.76 0.17 -0.23 115.29 120.82 3bzf s HIS 260 Ca 0.11 -0.70 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 3bzf s HIS 260 Cb -0.12 -1.73 0.04 0.00 1.11 0.00 0.00 32.58 31.88 3bzf s HIS 260 CO 0.02 -0.21 -0.12 0.08 -0.85 0.00 0.00 174.74 173.66 3bzf s VAL 261 N 0.10 1.83 -0.20 -0.90 1.01 -0.46 -1.75 120.40 120.02 3bzf s VAL 261 Ca -0.09 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 3bzf s VAL 261 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3bzf s VAL 261 CO 0.05 0.21 0.04 -1.10 0.00 0.00 0.00 175.10 174.30 3bzf s GLN 262 N 1.32 3.78 -0.12 2.72 -0.21 -0.79 -1.18 119.66 125.18 3bzf s GLN 262 Ca -0.01 -0.44 -0.18 0.00 0.02 0.00 0.00 55.36 54.75 3bzf s GLN 262 Cb -0.16 -3.17 0.04 0.00 1.00 0.00 0.00 33.01 30.72 3bzf s GLN 262 CO -0.09 0.10 0.46 -1.58 -2.12 0.00 0.00 175.29 172.06 3bzf s HIS 263 N 0.80 -0.45 0.55 0.91 2.46 -1.26 -1.42 115.29 116.88 3bzf s HIS 263 Ca 0.02 1.01 0.24 0.00 0.47 0.00 0.00 55.06 56.80 3bzf s HIS 263 Cb -0.14 0.18 1.50 0.00 -0.13 0.00 0.00 32.58 34.00 3bzf s HIS 263 CO 0.02 -0.32 2.12 1.49 -2.47 0.00 0.00 174.74 175.58 3bzf h GLU 264 N 4.77 0.00 -0.00 2.88 4.81 -1.93 -1.13 114.58 123.97 3bzf h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3bzf h GLU 264 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3bzf h GLU 264 CO 0.27 0.00 -0.12 0.41 -0.73 0.00 0.00 179.01 178.84 3bzf n GLY 265 N -1.48 -0.95 3.70 1.92 0.00 -1.26 -4.82 105.19 102.30 3bzf n GLY 265 Ca 0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3bzf n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bzf s LEU 266 N -2.51 4.20 0.35 0.99 1.43 -0.43 -4.35 118.68 118.37 3bzf s LEU 266 Ca 0.28 0.52 0.11 0.00 -1.03 0.00 0.00 54.13 54.00 3bzf s LEU 266 Cb 0.20 -2.44 0.88 0.00 0.03 0.00 0.00 46.19 44.86 3bzf s LEU 266 CO 0.48 0.02 1.81 1.55 0.23 0.00 0.00 176.35 180.44 3bzf h PRO 267 N 7.00 0.60 -3.82 1.29 0.13 -1.87 -3.41 132.00 131.91 3bzf h PRO 267 Ca -0.39 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 3bzf h PRO 267 Cb 1.17 -0.14 -0.15 0.00 0.13 0.00 0.00 31.00 32.01 3bzf h PRO 267 CO 0.74 0.40 -0.43 -1.21 -0.23 0.00 0.00 178.00 177.26 3bzf s GLU 268 N -5.68 0.76 0.27 0.86 2.02 -1.26 -5.15 118.70 110.52 3bzf s GLU 268 Ca -0.10 -0.92 -0.30 0.00 0.02 0.00 0.00 54.97 53.67 3bzf s GLU 268 Cb 0.24 0.30 -0.13 0.00 0.10 0.00 0.00 34.13 34.64 3bzf s GLU 268 CO 0.80 -0.22 1.37 -0.35 0.02 0.00 0.00 175.26 176.88 3bzf n PRO 269 N 0.18 2.07 -3.73 0.39 -0.04 -1.26 -4.96 135.00 127.64 3bzf n PRO 269 Ca -0.16 0.73 -0.34 0.00 -0.04 0.00 0.00 63.50 63.69 3bzf n PRO 269 Cb 0.61 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 3bzf n PRO 269 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bzf s VAL 270 N -0.36 5.26 -0.11 0.52 1.01 -0.32 -4.91 120.40 121.49 3bzf s VAL 270 Ca 0.64 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.81 3bzf s VAL 270 Cb -0.62 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3bzf s VAL 270 CO 0.53 0.31 -0.17 -0.89 0.00 0.00 0.00 175.10 174.89 3bzf s THR 271 N -1.36 2.71 0.29 3.92 2.01 -1.26 -1.36 115.64 120.60 3bzf s THR 271 Ca 0.30 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.59 3bzf s THR 271 Cb -0.13 -2.10 -0.06 0.00 0.01 0.00 0.00 72.50 70.22 3bzf s THR 271 CO 0.18 0.54 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.79 3bzf s LEU 272 N 0.21 2.58 0.08 4.42 2.01 0.68 -4.96 118.68 123.70 3bzf s LEU 272 Ca -0.11 -1.14 -0.21 0.00 0.01 0.00 0.00 54.13 52.69 3bzf s LEU 272 Cb -0.16 -0.81 0.05 0.00 0.01 0.00 0.00 46.19 45.28 3bzf s LEU 272 CO 0.06 -0.22 0.49 -0.13 1.01 0.00 0.00 176.35 177.56 3bzf s ARG 273 N -3.65 1.07 -0.18 1.70 0.52 -1.26 -1.60 118.95 115.56 3bzf s ARG 273 Ca 0.29 -0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 54.81 3bzf s ARG 273 Cb 0.01 0.49 -0.00 0.00 0.52 0.00 0.00 34.95 35.97 3bzf s ARG 273 CO 0.13 -0.41 1.10 -0.46 0.02 0.00 0.00 175.30 175.68 3bzf s TRP 274 N -3.00 3.25 -0.63 -0.53 -0.00 -1.26 -4.51 118.94 112.26 3bzf s TRP 274 Ca -0.02 1.37 -0.23 0.00 -0.00 0.00 0.00 56.10 57.22 3bzf s TRP 274 Cb -0.00 -3.32 0.07 0.00 -0.00 0.00 0.00 33.47 30.22 3bzf s TRP 274 CO -0.06 -0.77 0.93 0.15 -0.00 0.00 0.00 176.95 177.20 3bzf s LYS 275 N 2.95 3.15 0.00 5.86 1.02 -1.26 -4.94 119.74 126.52 3bzf s LYS 275 Ca 0.48 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.73 3bzf s LYS 275 Cb -0.18 -4.19 0.07 0.00 -0.52 0.00 0.00 37.83 33.01 3bzf s LYS 275 CO 0.12 -1.72 0.56 -2.30 -0.92 0.00 0.00 175.35 171.09