#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bzf s THR 4 N 0.00 1.88 0.20 5.15 2.01 -1.26 -4.68 115.64 118.95 3bzf s THR 4 Ca 0.00 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 59.94 3bzf s THR 4 Cb 0.00 -1.77 -0.09 0.00 0.01 0.00 0.00 72.50 70.65 3bzf s THR 4 CO 0.00 -0.15 1.32 -2.16 -0.69 0.00 0.00 174.62 172.94 3bzf s PRO 5 N -2.33 4.38 0.10 4.92 0.04 -1.26 -4.58 135.00 136.26 3bzf s PRO 5 Ca 0.12 2.08 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 3bzf s PRO 5 Cb -0.08 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3bzf s PRO 5 CO 0.06 -0.26 0.26 0.15 0.04 0.00 0.00 177.00 177.24 3bzf s LYS 6 N -0.17 3.47 -0.01 4.56 1.02 0.94 -4.93 119.74 124.63 3bzf s LYS 6 Ca 0.57 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.16 3bzf s LYS 6 Cb -0.37 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3bzf s LYS 6 CO 0.39 0.56 -0.03 0.42 -0.92 0.00 0.00 175.35 175.76 3bzf s ILE 7 N -1.60 0.28 -0.06 2.17 1.01 -1.26 -1.02 121.20 120.72 3bzf s ILE 7 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.88 3bzf s ILE 7 Cb -0.12 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.11 3bzf s ILE 7 CO 0.28 0.09 -0.05 -1.10 0.00 0.00 0.00 174.94 174.15 3bzf s GLN 8 N 0.03 0.99 -0.09 2.79 -0.21 -0.50 -4.98 119.66 117.68 3bzf s GLN 8 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.26 3bzf s GLN 8 Cb -0.03 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.95 3bzf s GLN 8 CO -0.00 -0.11 -0.13 0.08 -2.12 0.00 0.00 175.29 173.00 3bzf s VAL 9 N 1.11 3.10 0.25 1.09 1.01 -1.26 -1.01 120.40 124.69 3bzf s VAL 9 Ca -0.08 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 3bzf s VAL 9 Cb -0.14 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.04 3bzf s VAL 9 CO -0.01 0.55 0.94 -0.72 0.00 0.00 0.00 175.10 175.86 3bzf s TYR 10 N -0.14 0.05 0.12 5.22 1.13 -0.36 -4.63 117.35 118.74 3bzf s TYR 10 Ca -0.01 -0.54 0.05 0.00 -1.41 0.00 0.00 57.07 55.16 3bzf s TYR 10 Cb -0.14 0.74 -0.04 0.00 -1.10 0.00 0.00 41.96 41.43 3bzf s TYR 10 CO 0.03 -1.14 0.05 -1.54 -2.51 0.00 0.00 175.55 170.45 3bzf s SER 11 N -3.23 5.22 0.08 -0.18 1.04 -1.26 -0.70 113.70 114.68 3bzf s SER 11 Ca 0.18 -0.17 -0.33 0.00 0.48 0.00 0.00 55.95 56.12 3bzf s SER 11 Cb -0.03 -1.29 -0.16 0.00 0.10 0.00 0.00 66.02 64.63 3bzf s SER 11 CO 0.07 0.13 1.61 -0.09 0.98 0.00 0.00 173.24 175.93 3bzf h ARG 12 N 2.98 -0.85 -6.27 4.02 2.43 -1.55 -3.44 114.38 111.71 3bzf h ARG 12 Ca -0.47 0.06 -0.58 0.00 -0.81 0.00 0.00 59.98 58.18 3bzf h ARG 12 Cb 1.18 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.83 3bzf h ARG 12 CO 0.62 -0.57 -0.62 -1.01 -1.51 0.00 0.00 179.97 176.88 3bzf s HIS 13 N -6.00 2.91 -0.28 2.20 3.76 -1.26 -5.02 115.29 111.60 3bzf s HIS 13 Ca -0.17 -0.13 -0.35 0.00 -0.15 0.00 0.00 55.06 54.26 3bzf s HIS 13 Cb 0.05 -1.37 -0.11 0.00 1.11 0.00 0.00 32.58 32.25 3bzf s HIS 13 CO 0.62 0.54 2.09 -2.30 -0.85 0.00 0.00 174.74 174.84 3bzf n PRO 14 N -0.44 1.35 -1.59 8.40 -0.02 -1.26 -4.86 135.00 136.59 3bzf n PRO 14 Ca -0.09 0.41 -0.51 0.00 -2.02 0.00 0.00 63.50 61.30 3bzf n PRO 14 Cb 0.56 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 3bzf n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bzf n ALA 15 N 8.98 -0.83 -3.46 3.55 0.00 -1.26 -5.01 120.51 122.49 3bzf n ALA 15 Ca 0.35 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 54.14 3bzf n ALA 15 Cb 0.25 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 3bzf n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3bzf s GLU 16 N 0.25 0.24 -0.39 0.00 2.12 -1.26 -5.11 118.70 114.55 3bzf s GLU 16 Ca 0.81 0.33 -0.45 0.00 0.36 0.00 0.00 54.97 56.03 3bzf s GLU 16 Cb -0.92 -0.92 -0.20 0.00 0.26 0.00 0.00 34.13 32.36 3bzf s GLU 16 CO 0.48 -0.63 1.46 0.09 -0.54 0.00 0.00 175.26 176.12 3bzf n ASN 17 N 5.33 0.93 0.00 -1.70 3.02 -1.26 -0.60 115.26 120.99 3bzf n ASN 17 Ca -0.05 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 3bzf n ASN 17 Cb 0.50 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3bzf n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bzf n GLY 18 N 3.40 3.06 3.78 7.41 0.00 -0.84 -5.00 105.19 117.00 3bzf n GLY 18 Ca 0.28 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3bzf n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bzf s LYS 19 N 0.00 3.41 0.58 1.61 -0.14 0.24 -4.84 119.74 120.60 3bzf s LYS 19 Ca 0.00 1.57 -0.16 0.00 -1.36 0.00 0.00 55.97 56.01 3bzf s LYS 19 Cb 0.00 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 3bzf s LYS 19 CO 0.00 -0.79 1.06 -1.12 -0.76 0.00 0.00 175.35 173.73 3bzf s SER 20 N -1.83 5.86 0.00 2.83 0.01 -1.26 -3.75 113.70 115.55 3bzf s SER 20 Ca 0.72 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.81 3bzf s SER 20 Cb -0.23 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3bzf s SER 20 CO 0.26 -1.12 0.00 -3.20 0.41 0.00 0.00 173.24 169.60 3bzf n ASN 21 N -1.88 0.00 -3.95 2.44 2.85 0.05 -4.97 115.26 109.79 3bzf n ASN 21 Ca 0.09 -0.44 -0.11 0.00 -0.11 0.00 0.00 54.58 54.00 3bzf n ASN 21 Cb 0.53 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.42 3bzf n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3bzf s PHE 22 N -5.43 0.25 -0.29 1.20 0.08 -1.26 -2.59 117.98 109.94 3bzf s PHE 22 Ca 0.00 -0.32 -0.07 0.00 0.12 0.00 0.00 56.93 56.66 3bzf s PHE 22 Cb 0.00 -0.17 0.00 0.00 -0.57 0.00 0.00 43.02 42.28 3bzf s PHE 22 CO 0.00 -0.10 0.09 -1.17 -0.10 0.00 0.00 175.22 173.94 3bzf s LEU 23 N -0.90 3.82 -0.11 -0.37 2.96 -0.54 -1.22 118.68 122.33 3bzf s LEU 23 Ca -0.09 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 53.14 3bzf s LEU 23 Cb -0.06 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3bzf s LEU 23 CO -0.00 -0.17 0.09 0.20 -1.32 0.00 0.00 176.35 175.14 3bzf s ASN 24 N 1.52 5.96 -0.27 3.68 0.01 0.12 -3.04 114.94 122.93 3bzf s ASN 24 Ca 0.03 0.34 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 3bzf s ASN 24 Cb -0.17 -1.86 0.08 0.00 0.41 0.00 0.00 41.25 39.71 3bzf s ASN 24 CO 0.03 0.39 0.00 0.00 -1.51 0.00 0.00 177.10 176.01 3bzf s TYR 26 N 1.38 2.91 -0.14 0.00 5.04 -0.18 -2.37 117.35 123.99 3bzf s TYR 26 Ca 0.01 -0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 54.08 3bzf s TYR 26 Cb -0.18 -3.88 -0.05 0.00 0.35 0.00 0.00 41.96 38.20 3bzf s TYR 26 CO -0.11 -1.26 0.20 0.08 -1.34 0.00 0.00 175.55 173.13 3bzf s VAL 27 N 3.24 5.38 0.38 3.14 1.01 -0.74 -1.41 120.40 131.40 3bzf s VAL 27 Ca 0.20 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 3bzf s VAL 27 Cb -0.18 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.73 3bzf s VAL 27 CO 0.13 0.51 0.71 -0.94 0.00 0.00 0.00 175.10 175.51 3bzf s SER 28 N -0.27 0.27 -0.63 3.32 1.04 -0.19 -0.94 113.70 116.30 3bzf s SER 28 Ca 0.14 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3bzf s SER 28 Cb -0.12 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3bzf s SER 28 CO 0.03 -1.60 0.00 0.61 0.98 0.00 0.00 173.24 173.26 3bzf n GLY 29 N -0.55 0.76 3.68 7.32 0.00 -0.72 -0.04 105.19 115.65 3bzf n GLY 29 Ca -0.06 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 3bzf n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bzf s PHE 30 N -2.23 2.68 -0.28 1.61 -0.71 -1.22 -3.88 117.98 113.94 3bzf s PHE 30 Ca 0.00 -0.32 -0.17 0.00 -1.04 0.00 0.00 56.93 55.40 3bzf s PHE 30 Cb 0.00 -1.44 0.11 0.00 -1.21 0.00 0.00 43.02 40.49 3bzf s PHE 30 CO 0.00 0.48 0.84 -1.58 -1.34 0.00 0.00 175.22 173.62 3bzf s HIS 31 N -2.40 -0.80 0.03 3.49 2.46 -1.26 -0.61 115.29 116.20 3bzf s HIS 31 Ca 0.35 1.62 -0.00 0.00 0.47 0.00 0.00 55.06 57.50 3bzf s HIS 31 Cb -0.04 0.48 0.01 0.00 -0.13 0.00 0.00 32.58 32.90 3bzf s HIS 31 CO 0.21 -0.40 0.03 -0.35 -2.47 0.00 0.00 174.74 171.76 3bzf n PRO 32 N 3.87 -0.65 -0.04 2.88 -0.04 -1.26 -4.91 135.00 134.85 3bzf n PRO 32 Ca -0.19 -0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.07 3bzf n PRO 32 Cb 0.58 -0.04 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 3bzf n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bzf h SER 33 N -0.64 0.78 -2.18 3.54 4.64 -1.99 -3.46 113.55 114.24 3bzf h SER 33 Ca -0.01 -0.60 -0.60 0.00 -0.47 0.00 0.00 61.79 60.12 3bzf h SER 33 Cb 0.03 -0.23 0.06 0.00 -0.31 0.00 0.00 62.40 61.95 3bzf h SER 33 CO 0.01 1.24 0.77 0.47 -0.87 0.00 0.00 176.83 178.45 3bzf n ASP 34 N -4.13 2.92 -3.49 4.97 8.00 -1.26 -4.93 116.55 118.63 3bzf n ASP 34 Ca -0.07 1.08 -0.16 0.00 0.71 0.00 0.00 54.79 56.36 3bzf n ASP 34 Cb 0.62 -1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.29 3bzf n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3bzf s ILE 35 N 1.00 0.00 -0.14 0.53 2.07 -1.26 -4.70 121.20 118.70 3bzf s ILE 35 Ca 0.80 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.05 3bzf s ILE 35 Cb -0.72 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.89 3bzf s ILE 35 CO 0.40 0.00 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.59 3bzf s GLU 36 N -2.06 2.28 -0.16 3.50 2.12 -0.30 -5.00 118.70 119.09 3bzf s GLU 36 Ca -0.07 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.69 3bzf s GLU 36 Cb -0.00 -2.08 0.05 0.00 0.26 0.00 0.00 34.13 32.36 3bzf s GLU 36 CO 0.02 -0.22 -0.01 0.08 -0.54 0.00 0.00 175.26 174.60 3bzf s VAL 37 N 1.44 0.73 -0.03 3.70 1.01 -1.26 -0.61 120.40 125.37 3bzf s VAL 37 Ca 0.04 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3bzf s VAL 37 Cb -0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3bzf s VAL 37 CO -0.10 0.03 -0.25 -1.81 0.00 0.00 0.00 175.10 172.98 3bzf s ASP 38 N 1.79 3.13 -0.10 3.32 1.01 0.19 -4.96 116.67 121.05 3bzf s ASP 38 Ca 0.01 -0.46 -0.16 0.00 0.71 0.00 0.00 52.55 52.65 3bzf s ASP 38 Cb -0.15 -0.49 -0.05 0.00 1.01 0.00 0.00 42.92 43.24 3bzf s ASP 38 CO -0.07 0.30 0.41 -0.76 0.21 0.00 0.00 175.17 175.26 3bzf s LEU 39 N -0.52 4.31 0.23 1.23 1.02 -1.26 -0.50 118.68 123.20 3bzf s LEU 39 Ca 0.07 0.76 0.11 0.00 0.02 0.00 0.00 54.13 55.09 3bzf s LEU 39 Cb -0.11 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.48 3bzf s LEU 39 CO 0.00 0.10 -0.14 -0.76 0.02 0.00 0.00 176.35 175.57 3bzf s LEU 40 N 0.21 2.78 -0.31 1.79 1.43 -0.55 -0.18 118.68 123.85 3bzf s LEU 40 Ca 0.23 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3bzf s LEU 40 Cb -0.15 -1.38 0.11 0.00 0.03 0.00 0.00 46.19 44.80 3bzf s LEU 40 CO 0.09 0.06 0.14 -0.75 0.23 0.00 0.00 176.35 176.13 3bzf s LYS 41 N -3.20 0.43 -1.41 1.70 2.20 -0.47 -2.03 119.74 116.97 3bzf s LYS 41 Ca 0.27 -0.87 -0.10 0.00 -0.36 0.00 0.00 55.97 54.91 3bzf s LYS 41 Cb -0.07 -1.44 0.03 0.00 -1.51 0.00 0.00 37.83 34.84 3bzf s LYS 41 CO 0.15 -1.05 1.10 0.09 -0.36 0.00 0.00 175.35 175.28 3bzf n ASN 42 N 4.86 -5.52 0.00 1.43 5.03 0.10 -0.97 115.26 120.19 3bzf n ASN 42 Ca -0.01 -0.63 0.00 0.00 0.87 0.00 0.00 54.58 54.81 3bzf n ASN 42 Cb 0.41 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.53 3bzf n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bzf n GLY 43 N -1.86 2.90 3.62 7.41 0.00 -1.26 -5.00 105.19 111.00 3bzf n GLY 43 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3bzf n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bzf s GLU 44 N -0.13 4.03 -0.14 1.61 0.41 -0.15 -4.97 118.70 119.37 3bzf s GLU 44 Ca 0.00 0.50 -0.36 0.00 -0.41 0.00 0.00 54.97 54.69 3bzf s GLU 44 Cb 0.00 -3.68 -0.13 0.00 -1.78 0.00 0.00 34.13 28.54 3bzf s GLU 44 CO 0.00 -0.49 1.81 -2.13 -0.49 0.00 0.00 175.26 173.96 3bzf n ARG 45 N 5.83 1.81 -2.61 1.61 0.00 -1.26 -1.37 116.66 120.67 3bzf n ARG 45 Ca 0.00 0.66 -0.41 0.00 -0.00 0.00 0.00 57.85 58.10 3bzf n ARG 45 Cb 0.49 -2.45 -0.04 0.00 0.00 0.00 0.00 32.46 30.46 3bzf n ARG 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3bzf s ILE 46 N 3.70 4.29 0.80 5.15 1.01 0.75 -4.94 121.20 131.96 3bzf s ILE 46 Ca 0.94 1.82 -0.10 0.00 0.00 0.00 0.00 60.65 63.32 3bzf s ILE 46 Cb -0.83 -4.17 0.11 0.00 0.01 0.00 0.00 42.46 37.59 3bzf s ILE 46 CO 0.56 0.24 1.14 -1.61 0.00 0.00 0.00 174.94 175.27 3bzf s GLU 47 N 0.23 1.63 -0.33 2.79 0.41 -1.26 -4.58 118.70 117.58 3bzf s GLU 47 Ca 0.50 -0.33 -0.01 0.00 -0.41 0.00 0.00 54.97 54.72 3bzf s GLU 47 Cb -0.26 -2.05 -0.02 0.00 -1.78 0.00 0.00 34.13 30.03 3bzf s GLU 47 CO 0.31 -1.68 0.30 1.63 -0.49 0.00 0.00 175.26 175.33 3bzf n LYS 48 N -3.24 -0.69 -3.76 1.61 5.02 -1.26 -4.99 118.16 110.85 3bzf n LYS 48 Ca 0.11 0.48 -0.13 0.00 -2.02 0.00 0.00 58.31 56.75 3bzf n LYS 48 Cb 0.60 -3.02 -0.13 0.00 -0.02 0.00 0.00 35.03 32.46 3bzf n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bzf s VAL 49 N -3.09 -0.03 0.40 -0.18 1.01 -1.26 -4.82 120.40 112.43 3bzf s VAL 49 Ca 0.11 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.29 3bzf s VAL 49 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3bzf s VAL 49 CO 0.26 0.05 0.34 -1.61 0.00 0.00 0.00 175.10 174.14 3bzf s GLU 50 N 0.92 2.54 -0.01 2.72 2.02 -0.56 -4.95 118.70 121.39 3bzf s GLU 50 Ca -0.07 -1.52 -0.12 0.00 0.02 0.00 0.00 54.97 53.28 3bzf s GLU 50 Cb -0.09 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.80 3bzf s GLU 50 CO -0.05 -0.13 0.25 -3.38 0.02 0.00 0.00 175.26 171.96 3bzf s HIS 51 N -2.45 -0.09 0.89 1.61 -3.43 -1.26 -1.50 115.29 109.06 3bzf s HIS 51 Ca 0.46 0.11 -0.11 0.00 -0.80 0.00 0.00 55.06 54.71 3bzf s HIS 51 Cb -0.03 0.04 0.13 0.00 -1.43 0.00 0.00 32.58 31.29 3bzf s HIS 51 CO 0.27 -0.36 1.09 -1.54 -2.00 0.00 0.00 174.74 172.21 3bzf s SER 52 N -1.37 3.53 0.32 7.38 1.04 -0.58 -4.96 113.70 119.05 3bzf s SER 52 Ca -0.14 1.49 -0.29 0.00 0.48 0.00 0.00 55.95 57.49 3bzf s SER 52 Cb -0.06 -2.17 -0.10 0.00 0.10 0.00 0.00 66.02 63.79 3bzf s SER 52 CO 0.03 -2.60 1.25 -1.81 0.98 0.00 0.00 173.24 171.09 3bzf s ASP 53 N -3.44 6.91 0.33 7.02 1.01 -1.26 -4.73 116.67 122.51 3bzf s ASP 53 Ca 0.63 2.57 -0.29 0.00 0.71 0.00 0.00 52.55 56.17 3bzf s ASP 53 Cb -0.18 -2.64 -0.11 0.00 1.01 0.00 0.00 42.92 41.00 3bzf s ASP 53 CO 0.57 -0.43 1.52 -0.22 0.21 0.00 0.00 175.17 176.82 3bzf s LEU 54 N -1.69 4.34 0.35 1.23 2.96 -1.26 -4.92 118.68 119.69 3bzf s LEU 54 Ca 0.48 2.96 -0.10 0.00 -0.22 0.00 0.00 54.13 57.25 3bzf s LEU 54 Cb -0.38 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.69 3bzf s LEU 54 CO 0.50 -0.86 0.61 -0.55 -1.32 0.00 0.00 176.35 174.73 3bzf s SER 55 N 0.17 0.38 0.10 3.68 0.15 -1.24 -5.04 113.70 111.90 3bzf s SER 55 Ca 0.58 -1.24 -0.13 0.00 0.70 0.00 0.00 55.95 55.86 3bzf s SER 55 Cb -0.46 0.73 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3bzf s SER 55 CO 0.54 -1.44 0.30 0.72 1.20 0.00 0.00 173.24 174.57 3bzf s PHE 56 N -2.91 -0.05 0.80 3.44 -0.12 -1.26 -2.40 117.98 115.47 3bzf s PHE 56 Ca 0.23 -0.30 -0.09 0.00 -0.05 0.00 0.00 56.93 56.72 3bzf s PHE 56 Cb -0.03 0.11 0.12 0.00 -0.63 0.00 0.00 43.02 42.60 3bzf s PHE 56 CO 0.15 -0.62 1.12 -1.12 -0.05 0.00 0.00 175.22 174.70 3bzf s SER 57 N -2.76 4.16 0.30 1.98 0.01 -0.69 -4.92 113.70 111.77 3bzf s SER 57 Ca 0.03 0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.58 3bzf s SER 57 Cb 0.03 -0.64 0.71 0.00 0.21 0.00 0.00 66.02 66.34 3bzf s SER 57 CO -0.11 -2.04 1.76 0.50 0.41 0.00 0.00 173.24 173.76 3bzf h LYS 58 N -0.95 0.65 0.00 12.44 3.64 -2.02 -0.88 116.57 129.46 3bzf h LYS 58 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3bzf h LYS 58 Cb 1.28 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3bzf h LYS 58 CO 0.49 0.43 0.00 -0.40 -2.27 0.00 0.00 179.45 177.71 3bzf n ASP 59 N -4.83 0.00 0.00 4.20 5.75 -1.26 -4.88 116.55 115.53 3bzf n ASP 59 Ca 0.22 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 3bzf n ASP 59 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 3bzf n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3bzf n TRP 60 N -0.83 0.00 -2.96 2.11 7.02 -0.33 -5.04 117.44 117.41 3bzf n TRP 60 Ca 0.08 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.20 3bzf n TRP 60 Cb 0.04 -0.19 -0.06 0.00 -2.42 0.00 0.00 31.31 28.68 3bzf n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3bzf s SER 61 N -2.90 7.13 0.81 -0.99 1.04 -1.26 -4.79 113.70 112.74 3bzf s SER 61 Ca 0.00 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.97 3bzf s SER 61 Cb 0.00 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.79 3bzf s SER 61 CO 0.00 -0.06 1.03 0.49 0.98 0.00 0.00 173.24 175.68 3bzf n PHE 62 N 0.45 -3.30 -3.61 5.02 3.72 0.22 -1.71 117.46 118.25 3bzf n PHE 62 Ca 0.01 -1.47 -0.09 0.00 -0.05 0.00 0.00 57.45 55.85 3bzf n PHE 62 Cb 0.51 -0.77 -0.06 0.00 -0.94 0.00 0.00 39.48 38.22 3bzf n PHE 62 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 3bzf s TYR 63 N -3.13 -0.37 0.01 1.38 -0.85 -1.01 -1.76 117.35 111.61 3bzf s TYR 63 Ca 0.64 0.78 -0.11 0.00 -0.52 0.00 0.00 57.07 57.86 3bzf s TYR 63 Cb -0.03 0.42 0.01 0.00 0.38 0.00 0.00 41.96 42.74 3bzf s TYR 63 CO 0.44 -0.25 0.23 -0.51 -1.52 0.00 0.00 175.55 173.94 3bzf s LEU 64 N -0.45 1.17 -0.23 -3.49 1.43 -0.12 -3.65 118.68 113.34 3bzf s LEU 64 Ca 0.02 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3bzf s LEU 64 Cb -0.03 1.03 0.04 0.00 0.03 0.00 0.00 46.19 47.26 3bzf s LEU 64 CO -0.04 -0.46 -0.13 -0.22 0.23 0.00 0.00 176.35 175.74 3bzf s LEU 65 N -1.54 2.90 -0.14 1.79 2.96 -1.26 -1.79 118.68 121.60 3bzf s LEU 65 Ca -0.12 -0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 52.75 3bzf s LEU 65 Cb -0.05 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3bzf s LEU 65 CO 0.01 -0.10 0.12 -0.31 -1.32 0.00 0.00 176.35 174.75 3bzf s TYR 66 N 1.24 3.50 0.26 5.38 1.51 -1.00 -1.52 117.35 126.71 3bzf s TYR 66 Ca -0.01 0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 56.36 3bzf s TYR 66 Cb -0.16 -1.98 -0.00 0.00 -0.11 0.00 0.00 41.96 39.70 3bzf s TYR 66 CO -0.08 0.58 0.47 1.52 -1.11 0.00 0.00 175.55 176.94 3bzf s TYR 67 N -0.64 0.46 -0.26 2.71 1.13 -0.56 -0.29 117.35 119.91 3bzf s TYR 67 Ca 0.13 -0.82 -0.26 0.00 -1.41 0.00 0.00 57.07 54.71 3bzf s TYR 67 Cb -0.12 0.15 0.14 0.00 -1.10 0.00 0.00 41.96 41.03 3bzf s TYR 67 CO 0.02 -1.01 1.10 -0.08 -2.51 0.00 0.00 175.55 173.07 3bzf s THR 68 N -3.87 0.00 0.68 -3.49 -1.32 -1.17 -1.49 115.64 104.98 3bzf s THR 68 Ca 0.24 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.55 3bzf s THR 68 Cb -0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3bzf s THR 68 CO 0.10 0.00 1.22 -1.61 -2.21 0.00 0.00 174.62 172.13 3bzf s GLU 69 N -0.17 2.44 -0.14 7.08 2.02 -1.26 -1.46 118.70 127.20 3bzf s GLU 69 Ca 0.03 1.83 -0.32 0.00 0.02 0.00 0.00 54.97 56.53 3bzf s GLU 69 Cb -0.04 -1.86 0.13 0.00 0.10 0.00 0.00 34.13 32.46 3bzf s GLU 69 CO -0.06 -1.62 1.08 -0.59 0.02 0.00 0.00 175.26 174.09 3bzf s PHE 70 N -1.78 -0.24 -0.33 1.61 -0.71 -1.07 -4.79 117.98 110.68 3bzf s PHE 70 Ca 0.77 0.24 0.03 0.00 -1.04 0.00 0.00 56.93 56.93 3bzf s PHE 70 Cb -0.31 0.50 0.10 0.00 -1.21 0.00 0.00 43.02 42.10 3bzf s PHE 70 CO 0.41 -0.32 0.05 0.99 -1.34 0.00 0.00 175.22 175.01 3bzf s THR 71 N -2.17 2.03 0.80 -4.49 2.01 -1.26 -0.77 115.64 111.78 3bzf s THR 71 Ca 0.05 -2.13 -0.13 0.00 0.31 0.00 0.00 61.69 59.79 3bzf s THR 71 Cb -0.01 -2.48 0.08 0.00 0.01 0.00 0.00 72.50 70.10 3bzf s THR 71 CO -0.05 -0.57 1.21 -2.16 -0.69 0.00 0.00 174.62 172.36 3bzf s PRO 72 N 1.04 1.64 -0.12 4.92 0.04 -1.25 -4.82 135.00 136.46 3bzf s PRO 72 Ca 0.09 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 3bzf s PRO 72 Cb -0.19 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.62 3bzf s PRO 72 CO -0.11 -2.21 0.32 0.99 0.04 0.00 0.00 177.00 176.03 3bzf s THR 73 N -2.13 -0.01 0.44 1.26 2.01 -1.26 -1.99 115.64 113.96 3bzf s THR 73 Ca 0.73 0.05 0.33 0.00 0.31 0.00 0.00 61.69 63.11 3bzf s THR 73 Cb -0.29 -0.46 0.51 0.00 0.01 0.00 0.00 72.50 72.27 3bzf s THR 73 CO 0.50 0.02 1.56 1.21 -0.69 0.00 0.00 174.62 177.23 3bzf n GLU 74 N 3.42 -0.04 -0.04 4.92 2.13 -1.26 -1.70 120.64 128.07 3bzf n GLU 74 Ca -0.17 1.25 -0.01 0.00 0.66 0.00 0.00 57.16 58.89 3bzf n GLU 74 Cb 0.56 -2.48 -0.15 0.00 0.27 0.00 0.00 31.44 29.65 3bzf n GLU 74 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3bzf n LYS 75 N -4.71 0.66 -2.33 5.31 2.85 -1.26 -4.97 118.16 113.72 3bzf n LYS 75 Ca 0.41 -0.02 -0.37 0.00 -1.05 0.00 0.00 58.31 57.28 3bzf n LYS 75 Cb 1.58 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 3bzf n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3bzf s ASP 76 N -5.25 6.30 -0.01 -5.58 1.01 -0.69 -5.05 116.67 107.40 3bzf s ASP 76 Ca -0.08 2.24 0.07 0.00 0.71 0.00 0.00 52.55 55.49 3bzf s ASP 76 Cb 0.09 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3bzf s ASP 76 CO 0.85 -0.82 -0.23 -1.61 0.21 0.00 0.00 175.17 173.57 3bzf s GLU 77 N -2.67 1.79 0.04 8.23 2.02 -1.26 -4.78 118.70 122.07 3bzf s GLU 77 Ca 0.62 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.83 3bzf s GLU 77 Cb -0.27 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 3bzf s GLU 77 CO 0.33 0.48 -0.13 0.71 0.02 0.00 0.00 175.26 176.67 3bzf s TYR 78 N -0.56 1.14 0.34 1.61 2.02 -1.26 0.00 117.35 120.64 3bzf s TYR 78 Ca 0.09 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 3bzf s TYR 78 Cb -0.09 -0.67 -0.01 0.00 -0.40 0.00 0.00 41.96 40.79 3bzf s TYR 78 CO -0.01 0.02 0.43 0.00 -1.57 0.00 0.00 175.55 174.42 3bzf s ALA 79 N -0.86 1.07 -0.10 3.71 0.00 -0.86 0.24 121.76 124.96 3bzf s ALA 79 Ca 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.28 3bzf s ALA 79 Cb -0.08 1.24 0.03 0.00 0.00 0.00 0.00 23.12 24.31 3bzf s ALA 79 CO 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 175.76 174.98 3bzf s ARG 81 N 1.83 3.63 -0.06 0.00 3.52 0.35 -1.38 118.95 126.84 3bzf s ARG 81 Ca 0.04 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 3bzf s ARG 81 Cb -0.13 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3bzf s ARG 81 CO -0.07 0.17 -0.16 0.08 -0.81 0.00 0.00 175.30 174.50 3bzf s VAL 82 N 0.57 1.41 -0.00 7.11 1.01 0.11 -0.64 120.40 129.96 3bzf s VAL 82 Ca -0.03 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.36 3bzf s VAL 82 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3bzf s VAL 82 CO 0.03 0.41 -0.24 0.21 0.00 0.00 0.00 175.10 175.50 3bzf s ASN 83 N 0.33 2.89 0.08 3.32 3.84 0.22 -0.73 114.94 124.89 3bzf s ASN 83 Ca -0.10 -0.47 -0.26 0.00 0.21 0.00 0.00 52.86 52.23 3bzf s ASN 83 Cb -0.14 -0.31 0.07 0.00 -0.55 0.00 0.00 41.25 40.32 3bzf s ASN 83 CO 0.04 0.28 0.63 -2.28 -2.79 0.00 0.00 177.10 172.98 3bzf s HIS 84 N -0.63 -0.58 0.66 0.43 5.65 -1.26 -1.15 115.29 118.40 3bzf s HIS 84 Ca 0.10 0.63 0.39 0.00 0.25 0.00 0.00 55.06 56.43 3bzf s HIS 84 Cb -0.09 0.50 2.16 0.00 -1.18 0.00 0.00 32.58 33.97 3bzf s HIS 84 CO -0.00 -0.76 2.24 -0.24 -0.65 0.00 0.00 174.74 175.33 3bzf h VAL 85 N 2.37 0.08 -0.75 0.89 3.04 -1.96 0.12 116.25 120.05 3bzf h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3bzf h VAL 85 Cb 1.25 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3bzf h VAL 85 CO 0.38 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.29 3bzf n THR 86 N -3.15 1.01 -4.36 3.17 -2.24 -1.26 -4.83 114.28 102.62 3bzf n THR 86 Ca -0.02 -1.00 -0.34 0.00 -2.27 0.00 0.00 64.05 60.42 3bzf n THR 86 Cb 0.16 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.74 3bzf n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bzf s LEU 87 N -1.01 2.77 0.61 3.22 1.43 0.43 -4.89 118.68 121.25 3bzf s LEU 87 Ca 0.50 -0.36 0.33 0.00 -1.03 0.00 0.00 54.13 53.57 3bzf s LEU 87 Cb 0.26 -1.66 1.93 0.00 0.03 0.00 0.00 46.19 46.75 3bzf s LEU 87 CO 0.34 0.08 2.24 0.77 0.23 0.00 0.00 176.35 180.01 3bzf h SER 88 N 7.35 0.00 -4.99 2.29 4.64 -1.88 -3.44 113.55 117.51 3bzf h SER 88 Ca -0.34 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3bzf h SER 88 Cb 1.19 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 3bzf h SER 88 CO 0.59 0.00 0.23 0.00 -0.87 0.00 0.00 176.83 176.78 3bzf s GLN 89 N -4.50 1.40 0.14 4.77 -2.07 -1.26 -5.12 119.66 113.01 3bzf s GLN 89 Ca -0.05 -0.61 -0.31 0.00 -1.82 0.00 0.00 55.36 52.57 3bzf s GLN 89 Cb 0.14 0.58 -0.10 0.00 -1.09 0.00 0.00 33.01 32.54 3bzf s GLN 89 CO 0.50 -0.62 1.73 -1.25 -1.32 0.00 0.00 175.29 174.33 3bzf s PRO 90 N -3.76 4.16 -0.17 9.60 0.04 -1.26 -4.92 135.00 138.68 3bzf s PRO 90 Ca 0.04 2.51 -0.15 0.00 0.04 0.00 0.00 61.00 63.44 3bzf s PRO 90 Cb -0.02 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 3bzf s PRO 90 CO -0.07 -0.76 0.35 0.21 0.04 0.00 0.00 177.00 176.77 3bzf s LYS 91 N 2.08 4.23 -0.15 4.56 2.20 0.09 -4.89 119.74 127.86 3bzf s LYS 91 Ca 0.76 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 3bzf s LYS 91 Cb -0.45 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.41 3bzf s LYS 91 CO 0.34 0.12 -0.18 0.42 -0.36 0.00 0.00 175.35 175.68 3bzf s ILE 92 N 0.82 1.85 0.02 5.43 1.01 -1.26 0.07 121.20 129.15 3bzf s ILE 92 Ca 0.18 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.08 3bzf s ILE 92 Cb -0.14 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 3bzf s ILE 92 CO 0.06 0.51 -0.23 0.54 0.00 0.00 0.00 174.94 175.81 3bzf s VAL 93 N 1.17 1.87 0.06 2.92 0.11 -0.48 -4.97 120.40 121.09 3bzf s VAL 93 Ca 0.00 -1.17 0.01 0.00 -2.93 0.00 0.00 61.98 57.90 3bzf s VAL 93 Cb -0.14 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 3bzf s VAL 93 CO -0.08 0.38 0.15 -1.59 -3.33 0.00 0.00 175.10 170.63 3bzf s LYS 94 N -0.93 3.19 0.07 1.54 -2.85 -1.26 0.58 119.74 120.08 3bzf s LYS 94 Ca 0.09 -0.54 -0.31 0.00 -1.00 0.00 0.00 55.97 54.21 3bzf s LYS 94 Cb -0.09 -2.90 -0.08 0.00 -2.06 0.00 0.00 37.83 32.70 3bzf s LYS 94 CO 0.01 0.59 1.55 -0.46 0.10 0.00 0.00 175.35 177.14 3bzf s TRP 95 N -1.44 2.71 -0.18 1.78 -0.00 0.14 -4.87 118.94 117.07 3bzf s TRP 95 Ca 0.32 0.56 0.01 0.00 -0.00 0.00 0.00 56.10 56.99 3bzf s TRP 95 Cb -0.13 -3.85 0.03 0.00 -0.00 0.00 0.00 33.47 29.52 3bzf s TRP 95 CO 0.25 -3.28 -0.15 0.34 -0.00 0.00 0.00 176.95 174.11 3bzf s ASP 96 N 1.96 3.18 0.34 5.86 -1.08 -1.26 -4.77 116.67 120.89 3bzf s ASP 96 Ca 0.70 -0.73 0.26 0.00 -0.52 0.00 0.00 52.55 52.26 3bzf s ASP 96 Cb -0.38 -1.32 1.13 0.00 -1.46 0.00 0.00 42.92 40.89 3bzf s ASP 96 CO 0.30 -0.08 1.79 0.08 0.52 0.00 0.00 175.17 177.78 3bzf h ARG 97 N 7.97 0.00 -0.12 4.34 0.11 -1.95 -1.77 114.38 122.96 3bzf h ARG 97 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 3bzf h ARG 97 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3bzf h ARG 97 CO 0.54 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.36 3bzf n ASP 98 N -2.45 1.15 0.00 0.08 8.00 -1.26 -4.87 116.55 117.20 3bzf n ASP 98 Ca 0.01 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.88 3bzf n ASP 98 Cb 0.22 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3bzf n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04