#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzc h MET 3 N 0.00 -1.08 -0.63 3.49 1.85 -1.84 -2.69 114.93 114.03 1bzc h MET 3 Ca 0.00 0.07 0.02 0.00 -0.61 0.00 0.00 59.70 59.18 1bzc h MET 3 Cb 0.00 0.25 -0.03 0.00 0.43 0.00 0.00 31.60 32.24 1bzc h MET 3 CO 0.00 -0.72 0.42 1.49 -0.40 0.00 0.00 176.91 177.70 1bzc h GLU 4 N -1.22 0.78 0.05 0.39 4.81 -1.96 -1.28 114.58 116.15 1bzc h GLU 4 Ca -0.11 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1bzc h GLU 4 Cb 0.86 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1bzc h GLU 4 CO 0.19 0.52 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.74 1bzc h LYS 5 N 0.81 -0.07 -0.69 1.92 3.64 -2.01 -2.53 116.57 117.65 1bzc h LYS 5 Ca 0.24 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 1bzc h LYS 5 Cb -0.02 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1bzc h LYS 5 CO -0.06 0.13 0.39 1.49 -2.27 0.00 0.00 179.45 179.13 1bzc h GLU 6 N -0.26 0.71 -0.27 1.90 4.81 -1.11 -0.92 114.58 119.45 1bzc h GLU 6 Ca -0.01 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1bzc h GLU 6 Cb 0.23 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1bzc h GLU 6 CO 0.01 0.47 -0.02 0.35 -0.73 0.00 0.00 179.01 179.09 1bzc h PHE 7 N 0.73 -0.05 -0.70 0.92 3.04 -1.09 0.21 116.94 120.00 1bzc h PHE 7 Ca 0.30 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.21 1bzc h PHE 7 Cb 0.16 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 1bzc h PHE 7 CO -0.07 -0.07 0.18 0.93 -2.02 0.00 0.00 178.31 177.27 1bzc h GLU 8 N 0.06 1.10 -0.25 1.11 4.39 -1.04 -0.61 114.58 119.34 1bzc h GLU 8 Ca 0.13 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.59 1bzc h GLU 8 Cb 0.18 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1bzc h GLU 8 CO -0.23 0.96 0.11 0.37 -1.16 0.00 0.00 179.01 179.06 1bzc h GLN 9 N 1.05 0.24 -0.24 2.33 5.75 -0.47 -1.06 115.11 122.71 1bzc h GLN 9 Ca 0.22 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.55 1bzc h GLN 9 Cb 0.35 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1bzc h GLN 9 CO -0.00 0.16 -0.51 0.82 -2.65 0.00 0.00 178.83 176.64 1bzc h ILE 10 N 0.24 1.30 -0.14 2.39 2.04 -0.83 -3.02 117.51 119.50 1bzc h ILE 10 Ca 0.11 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1bzc h ILE 10 Cb 0.04 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1bzc h ILE 10 CO -0.08 0.55 0.05 -0.78 0.00 0.00 0.00 178.15 177.88 1bzc h ASP 11 N 0.52 0.20 -0.21 1.72 3.58 -0.92 -0.16 116.42 121.15 1bzc h ASP 11 Ca 0.02 -0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.31 1bzc h ASP 11 Cb 1.07 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 1bzc h ASP 11 CO 0.10 0.33 0.08 0.50 -2.88 0.00 0.00 179.24 177.37 1bzc h LYS 12 N 0.06 0.18 -0.00 0.28 3.11 -1.22 -2.49 116.57 116.48 1bzc h LYS 12 Ca 0.05 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1bzc h LYS 12 Cb 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1bzc h LYS 12 CO -0.00 0.12 -0.09 -1.13 -2.81 0.00 0.00 179.45 175.54 1bzc n SER 13 N -5.03 0.17 -3.30 4.20 3.41 -1.14 -4.95 113.62 106.97 1bzc n SER 13 Ca -0.02 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.42 1bzc n SER 13 Cb 0.07 -0.25 0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1bzc n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bzc n GLY 14 N 1.39 -0.37 1.21 5.00 0.00 -0.18 -4.94 105.19 107.30 1bzc n GLY 14 Ca 0.10 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1bzc n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bzc n SER 15 N -3.04 4.03 -0.17 1.61 7.64 -0.58 -4.68 113.62 118.43 1bzc n SER 15 Ca -0.26 -2.31 -0.01 0.00 1.01 0.00 0.00 58.87 57.30 1bzc n SER 15 Cb 0.66 -0.47 0.08 0.00 -1.01 0.00 0.00 64.21 63.47 1bzc n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1bzc h TRP 16 N 3.33 0.20 -0.76 1.43 4.06 -1.93 0.16 115.95 122.44 1bzc h TRP 16 Ca 0.00 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 1bzc h TRP 16 Cb 1.17 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 29.29 1bzc h TRP 16 CO 0.54 0.00 0.34 0.00 -3.56 0.00 0.00 178.44 175.76 1bzc h ALA 17 N 1.41 1.16 -0.02 1.49 0.00 -1.90 0.05 119.26 121.45 1bzc h ALA 17 Ca 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1bzc h ALA 17 Cb 0.36 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bzc h ALA 17 CO -0.34 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1bzc h ALA 18 N 1.28 0.03 -0.36 0.00 0.00 -1.57 0.37 119.26 119.01 1bzc h ALA 18 Ca 0.26 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1bzc h ALA 18 Cb 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1bzc h ALA 18 CO -0.03 -0.31 0.14 0.82 0.00 0.00 0.00 179.25 179.86 1bzc h ILE 19 N -0.25 0.91 0.30 0.00 1.08 -0.55 0.87 117.51 119.88 1bzc h ILE 19 Ca 0.01 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1bzc h ILE 19 Cb 0.31 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1bzc h ILE 19 CO 0.00 0.05 -0.15 0.22 -0.69 0.00 0.00 178.15 177.59 1bzc h TYR 20 N 0.30 -0.38 -0.37 1.37 3.20 -0.92 -2.62 116.97 117.54 1bzc h TYR 20 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1bzc h TYR 20 Cb 0.13 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1bzc h TYR 20 CO -0.13 -0.23 0.24 1.96 -1.64 0.00 0.00 178.16 178.35 1bzc h GLN 21 N -0.42 0.49 -0.27 1.82 1.08 -0.55 -0.00 115.11 117.25 1bzc h GLN 21 Ca -0.04 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1bzc h GLN 21 Cb 0.32 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1bzc h GLN 21 CO 0.07 0.33 -0.06 -0.44 -0.95 0.00 0.00 178.83 177.78 1bzc h ASP 22 N 0.50 0.40 -0.29 1.46 3.32 -0.59 -0.76 116.42 120.46 1bzc h ASP 22 Ca 0.13 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1bzc h ASP 22 Cb -0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1bzc h ASP 22 CO -0.03 0.51 -0.16 0.40 -1.72 0.00 0.00 179.24 178.24 1bzc h ILE 23 N 0.40 1.30 -0.75 0.35 2.04 -0.66 -2.43 117.51 117.75 1bzc h ILE 23 Ca 0.08 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1bzc h ILE 23 Cb 0.36 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1bzc h ILE 23 CO 0.02 0.40 0.38 0.03 0.00 0.00 0.00 178.15 178.98 1bzc h ARG 24 N 0.36 1.07 0.00 2.37 3.08 -0.89 0.03 114.38 120.39 1bzc h ARG 24 Ca 0.06 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1bzc h ARG 24 Cb 0.69 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1bzc h ARG 24 CO 0.05 0.81 0.00 0.72 -1.07 0.00 0.00 179.97 180.48 1bzc n HIS 25 N -4.33 0.40 0.23 3.04 8.25 -0.33 -2.66 115.22 119.81 1bzc n HIS 25 Ca 0.07 0.14 0.09 0.00 -0.26 0.00 0.00 57.72 57.76 1bzc n HIS 25 Cb 0.13 -0.73 -0.13 0.00 1.12 0.00 0.00 29.99 30.38 1bzc n HIS 25 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1bzc n GLU 26 N -1.85 0.74 -1.56 -0.41 1.02 -0.64 -5.02 120.64 112.93 1bzc n GLU 26 Ca 0.04 -0.12 -0.48 0.00 -0.02 0.00 0.00 57.16 56.58 1bzc n GLU 26 Cb 0.28 -1.40 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 1bzc n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bzc n ALA 27 N -1.92 -1.03 -0.66 0.62 0.00 -0.10 -4.94 120.51 112.48 1bzc n ALA 27 Ca -0.01 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 1bzc n ALA 27 Cb 0.41 -1.97 0.18 0.00 0.00 0.00 0.00 19.45 18.07 1bzc n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bzc n SER 28 N 1.82 -1.70 -3.41 0.00 7.64 -1.26 -5.04 113.62 111.67 1bzc n SER 28 Ca 0.14 0.08 -0.10 0.00 1.01 0.00 0.00 58.87 60.00 1bzc n SER 28 Cb 0.25 -1.19 -0.09 0.00 -1.01 0.00 0.00 64.21 62.18 1bzc n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1bzc s ASP 29 N -2.16 0.30 0.15 6.43 2.15 -1.26 -4.96 116.67 117.32 1bzc s ASP 29 Ca 0.61 0.29 0.07 0.00 0.43 0.00 0.00 52.55 53.95 1bzc s ASP 29 Cb -0.20 1.05 -0.04 0.00 -0.30 0.00 0.00 42.92 43.44 1bzc s ASP 29 CO 0.65 -0.29 -0.15 -0.36 -0.17 0.00 0.00 175.17 174.85 1bzc s PHE 30 N 2.53 1.57 0.65 -5.34 0.08 -1.26 -5.14 117.98 111.06 1bzc s PHE 30 Ca 0.10 -0.54 -0.17 0.00 0.12 0.00 0.00 56.93 56.44 1bzc s PHE 30 Cb -0.15 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1bzc s PHE 30 CO -0.15 0.23 1.16 -1.25 -0.10 0.00 0.00 175.22 175.11 1bzc s PRO 31 N -2.88 2.74 -0.39 0.24 0.04 -1.26 -4.84 135.00 128.65 1bzc s PRO 31 Ca 0.13 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.90 1bzc s PRO 31 Cb -0.04 -1.92 0.43 0.00 0.04 0.00 0.00 34.50 33.01 1bzc s PRO 31 CO 0.04 -1.34 1.04 0.00 0.04 0.00 0.00 177.00 176.78 1bzc h ARG 33 N 2.76 0.20 -0.47 0.00 2.43 -1.93 -2.62 114.38 114.75 1bzc h ARG 33 Ca 0.14 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1bzc h ARG 33 Cb 1.01 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1bzc h ARG 33 CO 0.71 0.13 0.02 0.28 -1.51 0.00 0.00 179.97 179.60 1bzc h VAL 34 N 0.21 1.24 0.00 0.20 2.07 -1.92 -2.61 116.25 115.43 1bzc h VAL 34 Ca 0.19 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1bzc h VAL 34 Cb 0.22 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1bzc h VAL 34 CO -0.24 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.50 1bzc h ALA 35 N 1.29 1.57 -0.25 1.67 0.00 -1.77 -2.80 119.26 118.98 1bzc h ALA 35 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bzc h ALA 35 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bzc h ALA 35 CO 0.02 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.13 1bzc n LYS 36 N -4.14 2.15 -2.12 0.00 4.76 -1.00 -4.55 118.16 113.26 1bzc n LYS 36 Ca -0.02 -1.72 -0.41 0.00 -2.87 0.00 0.00 58.31 53.29 1bzc n LYS 36 Cb 0.26 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.96 1bzc n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bzc s LEU 37 N -1.59 4.42 0.58 -0.35 1.43 -1.06 -4.88 118.68 117.23 1bzc s LEU 37 Ca 0.35 2.63 0.30 0.00 -1.03 0.00 0.00 54.13 56.39 1bzc s LEU 37 Cb 0.20 -3.64 1.38 0.00 0.03 0.00 0.00 46.19 44.17 1bzc s LEU 37 CO 0.29 -0.56 1.75 1.55 0.23 0.00 0.00 176.35 179.61 1bzc h PRO 38 N 4.04 0.00 0.00 1.29 0.13 -1.92 0.09 132.00 135.64 1bzc h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bzc h PRO 38 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1bzc h PRO 38 CO 0.70 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.83 1bzc n LYS 39 N -3.72 0.01 -0.04 0.86 2.85 -1.26 -3.53 118.16 113.34 1bzc n LYS 39 Ca 0.16 0.02 0.07 0.00 -1.05 0.00 0.00 58.31 57.51 1bzc n LYS 39 Cb 0.99 -1.51 0.09 0.00 -0.65 0.00 0.00 35.03 33.94 1bzc n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1bzc n ASN 40 N -1.54 2.40 -0.18 -5.58 3.02 0.02 -4.63 115.26 108.77 1bzc n ASN 40 Ca 0.07 -1.68 -0.01 0.00 -0.03 0.00 0.00 54.58 52.93 1bzc n ASN 40 Cb 0.34 -0.05 0.08 0.00 -0.61 0.00 0.00 39.78 39.54 1bzc n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1bzc h LYS 41 N 2.83 0.17 0.00 3.52 3.64 -1.60 0.37 116.57 125.51 1bzc h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1bzc h LYS 41 Cb 0.64 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1bzc h LYS 41 CO 0.00 0.12 0.00 0.27 -2.27 0.00 0.00 179.45 177.57 1bzc n ASN 42 N -5.19 0.00 -0.68 4.20 2.04 -1.26 -2.54 115.26 111.83 1bzc n ASN 42 Ca 0.07 -1.14 0.10 0.00 -0.44 0.00 0.00 54.58 53.17 1bzc n ASN 42 Cb 0.30 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 37.61 1bzc n ASN 42 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1bzc n ARG 43 N -0.84 1.67 -4.42 -3.83 1.74 0.11 -4.90 116.66 106.19 1bzc n ARG 43 Ca 0.14 -1.44 -0.34 0.00 -0.77 0.00 0.00 57.85 55.45 1bzc n ARG 43 Cb 0.07 -1.37 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 1bzc n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1bzc s ASN 44 N -1.79 4.61 0.04 0.55 0.01 -1.05 -4.36 114.94 112.95 1bzc s ASN 44 Ca 0.21 -0.19 -0.16 0.00 -0.71 0.00 0.00 52.86 52.00 1bzc s ASN 44 Cb 0.16 -1.75 -0.28 0.00 0.41 0.00 0.00 41.25 39.79 1bzc s ASN 44 CO 0.31 0.15 1.09 -0.09 -1.51 0.00 0.00 177.10 177.05 1bzc h ARG 45 N 6.85 0.57 -5.66 -0.60 2.43 -1.88 -3.45 114.38 112.64 1bzc h ARG 45 Ca -0.31 -0.75 -0.59 0.00 -0.81 0.00 0.00 59.98 57.53 1bzc h ARG 45 Cb 1.19 0.24 -0.30 0.00 -0.42 0.00 0.00 29.97 30.68 1bzc h ARG 45 CO 0.61 1.33 -0.85 0.71 -1.51 0.00 0.00 179.97 180.26 1bzc s TYR 46 N -2.99 1.81 0.27 2.20 2.02 -1.26 -5.04 117.35 114.36 1bzc s TYR 46 Ca -0.10 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1bzc s TYR 46 Cb 0.05 -1.19 0.37 0.00 -0.40 0.00 0.00 41.96 40.79 1bzc s TYR 46 CO 0.91 -0.11 1.84 0.00 -1.57 0.00 0.00 175.55 176.62 1bzc h ARG 47 N 5.95 0.93 -0.10 -0.62 3.08 -1.98 -2.98 114.38 118.65 1bzc h ARG 47 Ca -0.35 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1bzc h ARG 47 Cb 1.16 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1bzc h ARG 47 CO 0.48 0.78 0.00 -0.40 -1.07 0.00 0.00 179.97 179.75 1bzc n ASP 48 N -4.30 1.46 -4.00 7.04 5.75 -1.26 -4.70 116.55 116.54 1bzc n ASP 48 Ca 0.05 -1.60 -0.31 0.00 -0.01 0.00 0.00 54.79 52.92 1bzc n ASP 48 Cb 0.18 -0.06 -0.15 0.00 -1.03 0.00 0.00 41.12 40.06 1bzc n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1bzc s VAL 49 N -1.87 2.12 0.11 2.12 1.01 -1.13 -5.03 120.40 117.73 1bzc s VAL 49 Ca 0.34 -2.13 0.04 0.00 0.00 0.00 0.00 61.98 60.23 1bzc s VAL 49 Cb 0.18 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1bzc s VAL 49 CO 0.29 -0.51 -0.10 -0.44 0.00 0.00 0.00 175.10 174.34 1bzc s SER 50 N 1.00 1.50 0.18 3.32 0.01 -1.26 -4.60 113.70 113.86 1bzc s SER 50 Ca 0.07 -0.89 -0.21 0.00 1.31 0.00 0.00 55.95 56.24 1bzc s SER 50 Cb -0.19 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 65.97 1bzc s SER 50 CO -0.09 -0.30 0.71 -2.16 0.41 0.00 0.00 173.24 171.80 1bzc s PRO 51 N -3.16 4.31 0.50 12.44 0.04 -1.26 -4.50 135.00 143.36 1bzc s PRO 51 Ca 0.09 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 61.82 1bzc s PRO 51 Cb -0.00 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1bzc s PRO 51 CO -0.00 0.48 1.22 -0.06 0.04 0.00 0.00 177.00 178.67 1bzc s PHE 52 N -1.36 2.67 0.29 0.56 0.08 -1.26 -4.56 117.98 114.41 1bzc s PHE 52 Ca 0.39 1.49 -0.01 0.00 0.12 0.00 0.00 56.93 58.92 1bzc s PHE 52 Cb -0.19 -3.49 0.44 0.00 -0.57 0.00 0.00 43.02 39.21 1bzc s PHE 52 CO 0.22 -1.92 1.91 -0.44 -0.10 0.00 0.00 175.22 174.89 1bzc h ASP 53 N 1.76 0.87 0.52 1.36 3.32 -1.30 -1.99 116.42 120.96 1bzc h ASP 53 Ca -0.50 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 1bzc h ASP 53 Cb 1.27 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1bzc h ASP 53 CO 0.59 0.71 -0.16 1.12 -1.72 0.00 0.00 179.24 179.78 1bzc h HIS 54 N 0.97 0.00 0.00 4.55 2.07 -1.92 -3.28 115.15 117.54 1bzc h HIS 54 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 1bzc h HIS 54 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1bzc h HIS 54 CO 0.01 0.16 0.00 -1.13 -3.07 0.00 0.00 177.93 173.90 1bzc n SER 55 N -3.58 1.41 -4.76 3.10 3.41 -1.12 -5.06 113.62 107.01 1bzc n SER 55 Ca -0.01 -1.50 -0.36 0.00 -0.26 0.00 0.00 58.87 56.74 1bzc n SER 55 Cb 0.30 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1bzc n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bzc s ARG 56 N -0.50 3.33 -0.00 4.33 1.70 -0.76 -1.01 118.95 126.04 1bzc s ARG 56 Ca 0.00 1.80 -0.26 0.00 -0.47 0.00 0.00 55.73 56.80 1bzc s ARG 56 Cb 0.00 -2.13 -0.04 0.00 -0.57 0.00 0.00 34.95 32.21 1bzc s ARG 56 CO 0.00 -0.91 0.80 0.42 -1.08 0.00 0.00 175.30 174.53 1bzc s ILE 57 N -1.60 4.86 -0.15 4.99 -1.09 -0.56 -4.81 121.20 122.85 1bzc s ILE 57 Ca 0.71 1.68 -0.08 0.00 -2.23 0.00 0.00 60.65 60.73 1bzc s ILE 57 Cb -0.29 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1bzc s ILE 57 CO 0.33 0.28 0.15 -0.54 -1.23 0.00 0.00 174.94 173.93 1bzc s LYS 58 N 0.48 3.74 0.19 2.79 1.02 -1.26 -4.31 119.74 122.39 1bzc s LYS 58 Ca 0.41 -0.14 -0.22 0.00 0.02 0.00 0.00 55.97 56.04 1bzc s LYS 58 Cb -0.20 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 33.75 1bzc s LYS 58 CO 0.23 0.59 0.74 -0.51 -0.92 0.00 0.00 175.35 175.47 1bzc s LEU 59 N -0.49 4.46 -0.11 3.17 1.43 0.82 -4.94 118.68 123.01 1bzc s LEU 59 Ca 0.13 1.51 -0.03 0.00 -1.03 0.00 0.00 54.13 54.71 1bzc s LEU 59 Cb -0.12 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1bzc s LEU 59 CO 0.02 0.12 2.62 1.41 0.23 0.00 0.00 176.35 180.75 1bzc n HIS 60 N 1.15 0.46 -4.03 0.29 8.25 -1.26 -4.46 115.22 115.62 1bzc n HIS 60 Ca -0.04 -1.44 -0.26 0.00 -0.26 0.00 0.00 57.72 55.71 1bzc n HIS 60 Cb 0.50 -1.04 -0.05 0.00 1.12 0.00 0.00 29.99 30.53 1bzc n HIS 60 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bzc s GLN 61 N -0.20 3.11 -0.21 -0.41 -0.21 -1.26 -5.07 119.66 115.41 1bzc s GLN 61 Ca 0.34 -0.75 -0.21 0.00 0.02 0.00 0.00 55.36 54.76 1bzc s GLN 61 Cb 0.19 -2.77 -0.19 0.00 1.00 0.00 0.00 33.01 31.24 1bzc s GLN 61 CO -0.03 0.50 0.20 0.39 -2.12 0.00 0.00 175.29 174.24 1bzc n GLU 62 N -0.38 0.57 -0.31 2.91 -0.58 -1.26 -4.22 120.64 117.37 1bzc n GLU 62 Ca -0.08 0.56 -0.05 0.00 -0.42 0.00 0.00 57.16 57.17 1bzc n GLU 62 Cb 0.54 -1.74 0.08 0.00 -0.57 0.00 0.00 31.44 29.75 1bzc n GLU 62 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1bzc h ASP 63 N -0.96 1.08 -1.78 1.62 2.03 -1.98 -3.42 116.42 113.02 1bzc h ASP 63 Ca -0.36 -0.12 -0.11 0.00 -0.73 0.00 0.00 57.03 55.71 1bzc h ASP 63 Cb 1.34 -0.28 -0.28 0.00 -0.83 0.00 0.00 39.33 39.28 1bzc h ASP 63 CO -0.21 0.89 -0.44 0.21 -1.03 0.00 0.00 179.24 178.67 1bzc s ASN 64 N -6.23 -0.04 -0.04 4.15 3.84 -1.26 -5.02 114.94 110.33 1bzc s ASN 64 Ca -0.13 0.37 0.13 0.00 0.21 0.00 0.00 52.86 53.44 1bzc s ASN 64 Cb 0.16 1.30 0.45 0.00 -0.55 0.00 0.00 41.25 42.61 1bzc s ASN 64 CO 0.83 -0.29 1.34 -0.90 -2.79 0.00 0.00 177.10 175.28 1bzc n ASP 65 N 5.38 2.98 -4.75 -4.21 5.68 -1.26 -4.62 116.55 115.74 1bzc n ASP 65 Ca -0.03 -2.17 -0.40 0.00 -0.50 0.00 0.00 54.79 51.69 1bzc n ASP 65 Cb 0.50 -0.41 -0.05 0.00 -1.14 0.00 0.00 41.12 40.02 1bzc n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1bzc s TYR 66 N -1.58 3.75 -0.19 2.11 5.04 -1.26 -0.13 117.35 125.09 1bzc s TYR 66 Ca 0.33 1.44 -0.17 0.00 -2.44 0.00 0.00 57.07 56.23 1bzc s TYR 66 Cb 0.20 -2.77 0.05 0.00 0.35 0.00 0.00 41.96 39.79 1bzc s TYR 66 CO 0.18 0.33 0.50 -1.50 -1.34 0.00 0.00 175.55 173.73 1bzc s ILE 67 N -0.25 -0.00 -1.07 3.14 2.07 -1.26 -4.92 121.20 118.92 1bzc s ILE 67 Ca 0.37 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.39 1bzc s ILE 67 Cb -0.20 -0.71 0.03 0.00 0.13 0.00 0.00 42.46 41.71 1bzc s ILE 67 CO 0.22 0.00 1.61 0.21 -1.91 0.00 0.00 174.94 175.08 1bzc s ASN 68 N 0.35 6.28 -0.05 4.50 3.84 -1.26 -4.61 114.94 123.99 1bzc s ASN 68 Ca -0.01 -1.54 -0.18 0.00 0.21 0.00 0.00 52.86 51.34 1bzc s ASN 68 Cb -0.04 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1bzc s ASN 68 CO -0.00 -1.72 0.41 0.00 -2.79 0.00 0.00 177.10 173.00 1bzc s ALA 69 N 5.95 -1.05 0.02 1.71 0.00 -1.26 -2.98 121.76 124.15 1bzc s ALA 69 Ca 0.53 0.69 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1bzc s ALA 69 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1bzc s ALA 69 CO -0.04 -0.28 -0.10 -1.12 0.00 0.00 0.00 175.76 174.23 1bzc s SER 70 N -1.05 1.16 -0.46 0.00 0.01 0.65 -1.50 113.70 112.50 1bzc s SER 70 Ca -0.11 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 56.62 1bzc s SER 70 Cb -0.04 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.16 1bzc s SER 70 CO 0.05 0.00 0.55 -0.22 0.41 0.00 0.00 173.24 174.03 1bzc s LEU 71 N -0.85 4.90 -0.50 2.44 2.96 -0.18 -0.72 118.68 126.74 1bzc s LEU 71 Ca -0.01 -0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 52.90 1bzc s LEU 71 Cb -0.06 -2.45 0.03 0.00 0.50 0.00 0.00 46.19 44.21 1bzc s LEU 71 CO 0.00 -0.75 0.88 -0.63 -1.32 0.00 0.00 176.35 174.53 1bzc s ILE 72 N 2.42 4.51 -0.65 6.68 -1.09 0.69 -4.88 121.20 128.88 1bzc s ILE 72 Ca 0.14 0.41 -0.07 0.00 -2.23 0.00 0.00 60.65 58.90 1bzc s ILE 72 Cb -0.18 -4.44 0.17 0.00 -1.58 0.00 0.00 42.46 36.43 1bzc s ILE 72 CO 0.13 -0.91 0.51 -0.75 -1.23 0.00 0.00 174.94 172.69 1bzc s LYS 73 N 3.65 2.83 -0.82 2.79 2.20 -1.26 -1.67 119.74 127.45 1bzc s LYS 73 Ca 0.31 -2.33 -0.24 0.00 -0.36 0.00 0.00 55.97 53.35 1bzc s LYS 73 Cb -0.12 -3.97 0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1bzc s LYS 73 CO 0.22 -1.21 1.26 -1.64 -0.36 0.00 0.00 175.35 173.61 1bzc s MET 74 N 0.33 3.33 0.11 4.03 -1.94 -0.79 -4.92 119.30 119.45 1bzc s MET 74 Ca 0.15 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 53.10 1bzc s MET 74 Cb -0.19 -4.59 -0.10 0.00 2.01 0.00 0.00 34.83 31.96 1bzc s MET 74 CO -0.04 -2.07 1.62 1.49 -0.01 0.00 0.00 175.02 176.01 1bzc h GLU 75 N 9.77 -0.56 -0.36 2.03 4.81 -1.96 0.95 114.58 129.26 1bzc h GLU 75 Ca -0.10 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1bzc h GLU 75 Cb 1.04 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1bzc h GLU 75 CO 1.29 -0.37 0.09 1.49 -0.73 0.00 0.00 179.01 180.77 1bzc h GLU 76 N -0.58 0.58 0.00 1.92 4.81 -1.97 -2.38 114.58 116.95 1bzc h GLU 76 Ca 0.02 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1bzc h GLU 76 Cb 0.58 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1bzc h GLU 76 CO -0.15 0.62 0.00 0.00 -0.73 0.00 0.00 179.01 178.75 1bzc n ALA 77 N -2.33 1.84 -3.62 2.92 0.00 -1.19 -4.93 120.51 113.20 1bzc n ALA 77 Ca -0.01 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1bzc n ALA 77 Cb 0.20 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.32 1bzc n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bzc n GLN 78 N -1.98 -4.13 -3.73 0.00 6.02 0.30 -4.90 117.38 108.97 1bzc n GLN 78 Ca 0.04 0.65 -0.12 0.00 -0.01 0.00 0.00 57.00 57.55 1bzc n GLN 78 Cb 0.26 -5.16 -0.11 0.00 1.02 0.00 0.00 30.24 26.26 1bzc n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1bzc s ARG 79 N -5.72 0.42 0.11 -1.09 6.06 -1.06 -5.00 118.95 112.67 1bzc s ARG 79 Ca 0.13 0.61 0.07 0.00 -2.50 0.00 0.00 55.73 54.04 1bzc s ARG 79 Cb -0.03 0.13 -0.04 0.00 0.06 0.00 0.00 34.95 35.07 1bzc s ARG 79 CO 0.80 -0.09 -0.09 -1.12 -2.50 0.00 0.00 175.30 172.30 1bzc s SER 80 N 0.61 4.42 -0.01 -2.12 0.01 -1.26 -1.88 113.70 113.47 1bzc s SER 80 Ca -0.03 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 1bzc s SER 80 Cb -0.05 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1bzc s SER 80 CO -0.04 0.17 0.07 -0.31 0.41 0.00 0.00 173.24 173.54 1bzc s TYR 81 N -1.28 0.02 -0.27 2.43 1.51 -0.67 -4.09 117.35 115.01 1bzc s TYR 81 Ca 0.22 -0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.18 1bzc s TYR 81 Cb -0.11 -0.04 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 1bzc s TYR 81 CO 0.14 -0.13 0.07 0.42 -1.11 0.00 0.00 175.55 174.95 1bzc s ILE 82 N -0.61 4.14 -0.16 2.71 1.01 -0.14 -0.22 121.20 127.92 1bzc s ILE 82 Ca -0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 1bzc s ILE 82 Cb -0.04 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1bzc s ILE 82 CO 0.00 0.22 0.16 -0.76 0.00 0.00 0.00 174.94 174.56 1bzc s LEU 83 N 1.56 4.29 0.11 2.97 1.43 0.10 0.12 118.68 129.26 1bzc s LEU 83 Ca 0.05 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 1bzc s LEU 83 Cb -0.16 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1bzc s LEU 83 CO 0.03 0.26 0.17 0.28 0.23 0.00 0.00 176.35 177.32 1bzc s THR 84 N -0.17 0.12 0.79 5.49 -1.32 -0.66 -0.26 115.64 119.64 1bzc s THR 84 Ca 0.12 -1.45 -0.12 0.00 -1.21 0.00 0.00 61.69 59.03 1bzc s THR 84 Cb -0.12 -1.63 0.06 0.00 -1.51 0.00 0.00 72.50 69.30 1bzc s THR 84 CO 0.01 -0.56 1.12 0.00 -2.21 0.00 0.00 174.62 172.98 1bzc s GLN 85 N -3.93 2.16 0.15 7.08 -2.07 -1.16 -3.80 119.66 118.09 1bzc s GLN 85 Ca 0.12 0.43 -0.31 0.00 -1.82 0.00 0.00 55.36 53.78 1bzc s GLN 85 Cb 0.05 -1.94 -0.09 0.00 -1.09 0.00 0.00 33.01 29.94 1bzc s GLN 85 CO -0.05 -1.52 1.42 0.20 -1.32 0.00 0.00 175.29 174.02 1bzc s GLY 86 N -4.19 1.99 0.37 2.60 0.00 -0.18 -4.83 107.32 103.07 1bzc s GLY 86 Ca 0.61 1.19 -0.26 0.00 0.00 0.00 0.00 44.72 46.25 1bzc s GLY 86 CO 0.52 2.36 1.14 -1.05 0.00 0.00 0.00 173.10 176.08 1bzc n PRO 87 N 3.60 1.70 -2.72 2.90 -0.02 -1.26 -4.73 135.00 134.47 1bzc n PRO 87 Ca 0.11 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 1bzc n PRO 87 Cb 0.41 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1bzc n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1bzc s LEU 88 N -0.68 3.44 0.50 2.45 1.43 -1.26 -1.06 118.68 123.50 1bzc s LEU 88 Ca 0.59 0.41 0.26 0.00 -1.03 0.00 0.00 54.13 54.37 1bzc s LEU 88 Cb -0.58 -3.27 1.34 0.00 0.03 0.00 0.00 46.19 43.71 1bzc s LEU 88 CO 0.59 -0.89 1.88 -0.65 0.23 0.00 0.00 176.35 177.51 1bzc h PRO 89 N 0.14 0.13 -0.02 1.29 0.11 -1.96 -0.71 132.00 130.98 1bzc h PRO 89 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bzc h PRO 89 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bzc h PRO 89 CO 0.58 0.09 -0.15 0.27 -0.21 0.00 0.00 178.00 178.58 1bzc n ASN 90 N -4.36 2.42 -0.22 -2.05 6.94 -1.26 -4.40 115.26 112.31 1bzc n ASN 90 Ca 0.18 -1.73 0.04 0.00 -0.02 0.00 0.00 54.58 53.05 1bzc n ASN 90 Cb 0.85 0.14 0.08 0.00 -2.36 0.00 0.00 39.78 38.50 1bzc n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1bzc n THR 91 N 0.69 1.31 -0.03 5.53 -2.24 -0.28 -4.66 114.28 114.60 1bzc n THR 91 Ca 0.13 -1.36 -0.05 0.00 -2.27 0.00 0.00 64.05 60.50 1bzc n THR 91 Cb 0.52 0.27 0.15 0.00 -2.10 0.00 0.00 70.33 69.17 1bzc n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bzc h GLY 93 N 1.00 0.72 1.02 0.00 0.00 -1.91 -1.78 103.07 102.12 1bzc h GLY 93 Ca 0.08 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1bzc h GLY 93 CO 0.05 0.62 -0.02 0.45 0.00 0.00 0.00 176.54 177.65 1bzc h HIS 94 N 0.56 0.98 0.59 5.60 3.86 -1.74 -0.27 115.15 124.72 1bzc h HIS 94 Ca 0.06 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 1bzc h HIS 94 Cb 0.86 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1bzc h HIS 94 CO 0.04 0.92 -0.44 0.35 0.86 0.00 0.00 177.93 179.66 1bzc h PHE 95 N 0.76 -1.20 0.00 2.45 3.57 -0.66 0.10 116.94 121.96 1bzc h PHE 95 Ca 0.14 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1bzc h PHE 95 Cb 0.54 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1bzc h PHE 95 CO 0.04 -0.64 -0.17 -1.49 -2.23 0.00 0.00 178.31 173.82 1bzc h TRP 96 N -1.00 0.00 -0.60 0.41 4.06 -1.30 -0.38 115.95 117.15 1bzc h TRP 96 Ca -0.07 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.83 1bzc h TRP 96 Cb 0.84 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.97 1bzc h TRP 96 CO -0.16 0.17 0.17 1.49 -3.56 0.00 0.00 178.44 176.54 1bzc h GLU 97 N 0.00 0.95 -0.42 0.49 4.81 -0.66 -0.13 114.58 119.61 1bzc h GLU 97 Ca -0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1bzc h GLU 97 Cb 0.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1bzc h GLU 97 CO 0.02 0.86 0.17 1.98 -0.73 0.00 0.00 179.01 181.31 1bzc h MET 98 N 0.86 0.63 -0.65 1.92 4.05 0.45 -0.63 114.93 121.56 1bzc h MET 98 Ca 0.19 -0.11 0.06 0.00 -0.28 0.00 0.00 59.70 59.56 1bzc h MET 98 Cb 0.32 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1bzc h MET 98 CO -0.00 0.58 0.35 0.28 0.23 0.00 0.00 176.91 178.35 1bzc h VAL 99 N 0.54 0.96 0.59 -5.77 2.07 -0.65 -0.73 116.25 113.27 1bzc h VAL 99 Ca 0.14 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1bzc h VAL 99 Cb 0.18 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1bzc h VAL 99 CO -0.01 0.12 -0.28 -0.25 0.02 0.00 0.00 177.57 177.16 1bzc h TRP 100 N 0.65 -0.73 -0.37 1.57 2.91 -0.64 -2.14 115.95 117.20 1bzc h TRP 100 Ca 0.29 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.28 1bzc h TRP 100 Cb 0.19 0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 1bzc h TRP 100 CO -0.08 -0.40 0.14 0.93 -1.03 0.00 0.00 178.44 177.99 1bzc h GLU 101 N -1.00 0.51 -0.01 2.65 5.08 -0.98 -2.10 114.58 118.75 1bzc h GLU 101 Ca -0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1bzc h GLU 101 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1bzc h GLU 101 CO 0.13 0.44 -0.12 1.04 -1.00 0.00 0.00 179.01 179.50 1bzc n GLN 102 N -4.38 0.94 -2.86 2.33 1.13 -0.29 -4.94 117.38 109.30 1bzc n GLN 102 Ca 0.02 -0.43 -0.22 0.00 -1.94 0.00 0.00 57.00 54.44 1bzc n GLN 102 Cb 0.15 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.03 1bzc n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1bzc n LYS 103 N -0.66 -4.10 -2.11 -1.09 5.02 -0.79 -4.03 118.16 110.40 1bzc n LYS 103 Ca 0.15 0.92 -0.35 0.00 -2.02 0.00 0.00 58.31 57.01 1bzc n LYS 103 Cb 0.30 -5.70 0.02 0.00 -0.02 0.00 0.00 35.03 29.63 1bzc n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bzc s SER 104 N -2.57 5.47 -0.01 4.39 0.01 -0.85 -0.11 113.70 120.03 1bzc s SER 104 Ca 0.23 2.21 0.06 0.00 1.31 0.00 0.00 55.95 59.76 1bzc s SER 104 Cb -0.10 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 1bzc s SER 104 CO 0.28 -1.39 0.13 -1.14 0.41 0.00 0.00 173.24 171.53 1bzc n ARG 105 N -1.55 0.43 -4.07 12.44 0.00 -1.26 -4.81 116.66 117.83 1bzc n ARG 105 Ca 0.12 -0.05 -0.13 0.00 -0.00 0.00 0.00 57.85 57.79 1bzc n ARG 105 Cb 0.51 -1.12 -0.11 0.00 0.00 0.00 0.00 32.46 31.74 1bzc n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1bzc s GLY 106 N -2.61 0.52 -0.08 5.14 0.00 -1.26 -0.67 107.32 108.36 1bzc s GLY 106 Ca -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.91 1bzc s GLY 106 CO 0.24 -0.87 -0.14 0.14 0.00 0.00 0.00 173.10 172.46 1bzc s VAL 107 N -1.60 1.34 -0.29 1.40 1.01 0.43 -2.24 120.40 120.44 1bzc s VAL 107 Ca -0.08 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1bzc s VAL 107 Cb -0.09 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1bzc s VAL 107 CO -0.00 0.40 0.06 -0.69 0.00 0.00 0.00 175.10 174.87 1bzc s VAL 108 N 0.74 3.76 -0.24 2.92 1.01 0.36 -0.75 120.40 128.20 1bzc s VAL 108 Ca -0.12 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1bzc s VAL 108 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1bzc s VAL 108 CO 0.03 0.07 0.08 -0.32 0.00 0.00 0.00 175.10 174.96 1bzc s MET 109 N 1.46 3.73 0.00 2.72 0.00 0.25 -0.33 119.30 127.13 1bzc s MET 109 Ca 0.02 -0.44 0.14 0.00 0.00 0.00 0.00 55.69 55.41 1bzc s MET 109 Cb -0.17 -3.34 0.14 0.00 0.00 0.00 0.00 34.83 31.46 1bzc s MET 109 CO 0.01 -0.12 1.00 1.28 0.00 0.00 0.00 175.02 177.19 1bzc n LEU 110 N 4.75 2.31 0.00 4.11 4.77 0.38 -0.21 117.00 133.12 1bzc n LEU 110 Ca -0.16 -1.11 -0.15 0.00 -0.03 0.00 0.00 56.01 54.57 1bzc n LEU 110 Cb 0.52 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1bzc n LEU 110 CO 0.32 0.44 -0.08 -0.46 -1.33 0.00 0.00 177.39 176.28 1bzc n ASN 111 N 0.81 2.46 -4.38 -1.43 2.04 -1.26 -4.36 115.26 109.15 1bzc n ASN 111 Ca 0.09 -2.01 -0.30 0.00 -0.44 0.00 0.00 54.58 51.93 1bzc n ASN 111 Cb 0.37 0.12 -0.14 0.00 -2.53 0.00 0.00 39.78 37.61 1bzc n ASN 111 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1bzc s ARG 112 N -2.91 1.62 0.40 -3.83 0.52 -1.26 -4.76 118.95 108.72 1bzc s ARG 112 Ca 0.03 -1.23 0.06 0.00 -0.52 0.00 0.00 55.73 54.08 1bzc s ARG 112 Cb -0.00 -1.96 0.80 0.00 0.52 0.00 0.00 34.95 34.32 1bzc s ARG 112 CO 0.02 0.48 2.04 0.28 0.02 0.00 0.00 175.30 178.15 1bzc h VAL 113 N 4.02 1.12 -3.45 3.52 2.07 -1.93 -3.33 116.25 118.28 1bzc h VAL 113 Ca -0.49 -0.23 -0.64 0.00 0.82 0.00 0.00 66.70 66.16 1bzc h VAL 113 Cb 1.16 0.45 -0.41 0.00 -1.52 0.00 0.00 31.29 30.97 1bzc h VAL 113 CO 0.42 0.12 -0.65 -0.32 0.02 0.00 0.00 177.57 177.16 1bzc s MET 114 N -5.53 1.87 -0.18 1.57 -2.45 -1.26 -2.11 119.30 111.21 1bzc s MET 114 Ca -0.09 -2.47 -0.06 0.00 -1.25 0.00 0.00 55.69 51.83 1bzc s MET 114 Cb 0.17 -3.30 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 1bzc s MET 114 CO 0.74 -1.07 0.02 -1.21 1.05 0.00 0.00 175.02 174.54 1bzc s GLU 115 N -0.05 3.79 0.33 4.11 2.02 -1.24 -4.85 118.70 122.81 1bzc s GLU 115 Ca 0.16 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1bzc s GLU 115 Cb -0.25 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1bzc s GLU 115 CO -0.02 0.19 0.00 1.63 0.02 0.00 0.00 175.26 177.08 1bzc n LYS 116 N 3.74 0.00 -2.70 1.61 5.02 -1.26 -3.44 118.16 121.13 1bzc n LYS 116 Ca -0.17 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.06 1bzc n LYS 116 Cb 0.52 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.60 1bzc n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bzc n GLY 117 N 0.00 -1.00 0.00 0.72 0.00 -1.26 -5.16 105.19 98.49 1bzc n GLY 117 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1bzc n GLY 117 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bzc n SER 118 N 1.43 0.00 -4.56 1.61 2.88 -1.22 -5.08 113.62 108.68 1bzc n SER 118 Ca 0.04 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.22 1bzc n SER 118 Cb 0.68 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.11 1bzc n SER 118 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1bzc s LEU 119 N 0.00 3.33 0.00 2.46 2.96 -1.26 -3.72 118.68 122.45 1bzc s LEU 119 Ca 0.00 -0.91 0.29 0.00 -0.22 0.00 0.00 54.13 53.29 1bzc s LEU 119 Cb 0.00 -2.56 1.21 0.00 0.50 0.00 0.00 46.19 45.34 1bzc s LEU 119 CO 0.00 -2.04 1.90 0.29 -1.32 0.00 0.00 176.35 175.17 1bzc n LYS 120 N 8.96 0.11 -3.61 1.98 4.76 -0.90 -4.86 118.16 124.60 1bzc n LYS 120 Ca 0.31 -0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.68 1bzc n LYS 120 Cb 0.49 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 1bzc n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bzc s ALA 122 N -1.00 3.27 -0.94 0.00 0.00 -0.22 -4.69 121.76 118.17 1bzc s ALA 122 Ca 0.04 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.70 1bzc s ALA 122 Cb -0.01 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.33 1bzc s ALA 122 CO -0.04 -0.01 1.45 -1.14 0.00 0.00 0.00 175.76 176.03 1bzc s GLN 123 N -3.76 3.41 0.00 0.00 2.00 -1.26 -4.80 119.66 115.26 1bzc s GLN 123 Ca 0.54 -0.84 0.23 0.00 -2.00 0.00 0.00 55.36 53.29 1bzc s GLN 123 Cb -0.10 -5.06 0.70 0.00 0.80 0.00 0.00 33.01 29.35 1bzc s GLN 123 CO 0.29 -2.28 1.54 2.48 -0.50 0.00 0.00 175.29 176.81 1bzc n TYR 124 N 9.41 0.19 -4.17 1.67 4.11 -1.26 -4.91 117.16 122.19 1bzc n TYR 124 Ca 0.27 -0.09 -0.16 0.00 -0.00 0.00 0.00 57.90 57.92 1bzc n TYR 124 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.73 1bzc n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1bzc s TRP 125 N -1.81 1.11 0.49 -3.48 -2.14 -1.26 -5.05 118.94 106.79 1bzc s TRP 125 Ca 0.34 -0.59 -0.22 0.00 2.66 0.00 0.00 56.10 58.29 1bzc s TRP 125 Cb 0.19 -0.61 -0.07 0.00 -3.10 0.00 0.00 33.47 29.89 1bzc s TRP 125 CO 0.29 0.03 1.22 -2.14 -2.66 0.00 0.00 176.95 173.69 1bzc s PRO 126 N -2.45 3.56 0.01 3.25 0.02 -1.26 -4.94 135.00 133.19 1bzc s PRO 126 Ca 0.03 1.90 0.22 0.00 0.02 0.00 0.00 61.00 63.17 1bzc s PRO 126 Cb -0.05 -2.35 -0.28 0.00 0.02 0.00 0.00 34.50 31.84 1bzc s PRO 126 CO 0.01 -0.75 0.58 1.04 -0.33 0.00 0.00 177.00 177.55 1bzc n GLN 127 N -0.68 0.65 -4.76 5.54 6.02 -1.26 -4.75 117.38 118.13 1bzc n GLN 127 Ca 0.08 -0.14 -0.26 0.00 -0.01 0.00 0.00 57.00 56.68 1bzc n GLN 127 Cb 0.47 -1.58 -0.16 0.00 1.02 0.00 0.00 30.24 29.99 1bzc n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1bzc s LYS 128 N -3.48 1.84 0.63 -1.09 1.02 -1.26 -5.03 119.74 112.37 1bzc s LYS 128 Ca -0.07 -0.55 0.38 0.00 0.02 0.00 0.00 55.97 55.76 1bzc s LYS 128 Cb 0.13 -1.54 2.12 0.00 -0.52 0.00 0.00 37.83 38.03 1bzc s LYS 128 CO 0.89 0.15 2.30 1.05 -0.92 0.00 0.00 175.35 178.82 1bzc h GLU 129 N 6.56 0.00 0.00 1.68 9.09 -1.91 -1.60 114.58 128.40 1bzc h GLU 129 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 1bzc h GLU 129 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1bzc h GLU 129 CO 0.48 0.01 -0.23 0.39 0.05 0.00 0.00 179.01 179.71 1bzc n GLU 130 N -3.36 0.01 -3.79 1.06 4.71 -1.26 -4.35 120.64 113.65 1bzc n GLU 130 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.85 1bzc n GLU 130 Cb 0.10 -1.51 -0.11 0.00 -1.01 0.00 0.00 31.44 28.91 1bzc n GLU 130 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1bzc n LYS 131 N -1.51 2.01 -0.82 3.49 5.02 -0.60 -5.10 118.16 120.64 1bzc n LYS 131 Ca 0.06 -4.54 -0.30 0.00 -2.02 0.00 0.00 58.31 51.51 1bzc n LYS 131 Cb 0.34 -2.29 0.17 0.00 -0.02 0.00 0.00 35.03 33.23 1bzc n LYS 131 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1bzc s GLU 132 N -1.70 0.86 -0.05 1.97 8.01 -1.26 -4.63 118.70 121.91 1bzc s GLU 132 Ca 0.28 1.25 0.04 0.00 0.01 0.00 0.00 54.97 56.56 1bzc s GLU 132 Cb -0.00 -1.73 -0.02 0.00 -4.31 0.00 0.00 34.13 28.06 1bzc s GLU 132 CO -0.14 -2.64 -0.16 -1.64 0.01 0.00 0.00 175.26 170.69 1bzc s MET 133 N -4.69 2.46 -0.07 1.61 -1.94 -0.02 -4.99 119.30 111.67 1bzc s MET 133 Ca 0.66 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.94 1bzc s MET 133 Cb -0.22 -2.33 0.00 0.00 2.01 0.00 0.00 34.83 34.29 1bzc s MET 133 CO 0.59 0.61 -0.17 0.42 -0.01 0.00 0.00 175.02 176.45 1bzc s ILE 134 N -0.69 1.50 -0.55 2.53 1.01 -1.26 -0.45 121.20 123.29 1bzc s ILE 134 Ca 0.11 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1bzc s ILE 134 Cb -0.11 -1.32 0.14 0.00 0.01 0.00 0.00 42.46 41.19 1bzc s ILE 134 CO 0.00 0.43 0.41 -0.36 0.00 0.00 0.00 174.94 175.43 1bzc s PHE 135 N 0.39 3.49 0.36 3.97 0.08 -0.23 -4.94 117.98 121.10 1bzc s PHE 135 Ca -0.13 -2.15 0.04 0.00 0.12 0.00 0.00 56.93 54.81 1bzc s PHE 135 Cb -0.15 -3.45 0.69 0.00 -0.57 0.00 0.00 43.02 39.54 1bzc s PHE 135 CO 0.05 -0.95 1.97 0.93 -0.10 0.00 0.00 175.22 177.11 1bzc h GLU 136 N 7.97 0.61 -0.58 0.44 4.39 -1.97 -0.90 114.58 124.54 1bzc h GLU 136 Ca -0.11 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1bzc h GLU 136 Cb 1.04 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 1bzc h GLU 136 CO 0.79 0.50 0.19 0.38 -1.16 0.00 0.00 179.01 179.71 1bzc h ASP 137 N 0.62 0.79 -0.34 1.42 2.03 -1.96 -3.07 116.42 115.92 1bzc h ASP 137 Ca 0.15 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1bzc h ASP 137 Cb 0.10 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.39 1bzc h ASP 137 CO -0.02 0.74 0.00 0.35 -1.03 0.00 0.00 179.24 179.28 1bzc n THR 138 N -4.30 0.65 -3.65 1.15 -2.24 -1.12 -5.00 114.28 99.78 1bzc n THR 138 Ca 0.05 -0.83 -0.22 0.00 -2.27 0.00 0.00 64.05 60.78 1bzc n THR 138 Cb 0.19 0.79 0.05 0.00 -2.10 0.00 0.00 70.33 69.27 1bzc n THR 138 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bzc n ASN 139 N 0.95 -2.83 -4.28 3.42 3.02 -0.39 -4.90 115.26 110.25 1bzc n ASN 139 Ca 0.14 -0.72 -0.24 0.00 -0.03 0.00 0.00 54.58 53.74 1bzc n ASN 139 Cb 0.47 -4.47 -0.13 0.00 -0.61 0.00 0.00 39.78 35.05 1bzc n ASN 139 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bzc s LEU 140 N -6.79 2.28 -0.04 3.41 1.43 -0.94 -0.98 118.68 117.05 1bzc s LEU 140 Ca 0.21 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1bzc s LEU 140 Cb -0.10 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 1bzc s LEU 140 CO 0.78 0.06 -0.17 -0.75 0.23 0.00 0.00 176.35 176.51 1bzc s LYS 141 N -1.82 1.71 -0.10 1.70 2.20 -0.19 -1.07 119.74 122.18 1bzc s LYS 141 Ca 0.06 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1bzc s LYS 141 Cb -0.10 -1.50 0.02 0.00 -1.51 0.00 0.00 37.83 34.74 1bzc s LYS 141 CO 0.04 0.24 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.99 1bzc s LEU 142 N 0.03 1.49 0.02 5.43 2.96 0.41 -0.40 118.68 128.61 1bzc s LEU 142 Ca -0.03 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 1bzc s LEU 142 Cb -0.11 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1bzc s LEU 142 CO 0.02 -0.03 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.94 1bzc s THR 143 N 1.17 1.50 -0.15 3.68 2.01 -0.70 -0.84 115.64 122.32 1bzc s THR 143 Ca -0.04 -1.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.73 1bzc s THR 143 Cb -0.14 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1bzc s THR 143 CO -0.03 0.26 0.69 -0.22 -0.69 0.00 0.00 174.62 174.64 1bzc s LEU 144 N -0.86 4.21 -0.24 4.42 2.96 -1.26 -1.10 118.68 126.82 1bzc s LEU 144 Ca 0.07 1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 1bzc s LEU 144 Cb -0.08 -3.02 -0.18 0.00 0.50 0.00 0.00 46.19 43.41 1bzc s LEU 144 CO 0.01 -0.24 -0.13 -0.38 -1.32 0.00 0.00 176.35 174.29 1bzc n ILE 145 N 4.37 1.55 -3.75 6.68 2.08 -0.06 -4.36 119.36 125.87 1bzc n ILE 145 Ca -0.00 -0.52 -0.08 0.00 0.56 0.00 0.00 62.75 62.70 1bzc n ILE 145 Cb 0.50 -1.59 -0.02 0.00 -0.75 0.00 0.00 39.64 37.78 1bzc n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1bzc s SER 146 N -6.82 -0.33 -0.03 4.38 1.04 -1.19 -4.99 113.70 105.77 1bzc s SER 146 Ca -0.33 -0.45 -0.06 0.00 0.48 0.00 0.00 55.95 55.59 1bzc s SER 146 Cb 0.10 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.91 1bzc s SER 146 CO 0.61 -1.24 0.13 -0.70 0.98 0.00 0.00 173.24 173.02 1bzc s GLU 147 N -3.85 0.30 -0.38 4.02 2.12 -1.26 -1.78 118.70 117.86 1bzc s GLU 147 Ca 0.09 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.34 1bzc s GLU 147 Cb -0.05 0.13 0.13 0.00 0.26 0.00 0.00 34.13 34.60 1bzc s GLU 147 CO 0.02 -0.06 0.19 0.34 -0.54 0.00 0.00 175.26 175.21 1bzc s ASP 148 N -0.58 3.59 -0.05 -1.70 2.15 0.93 -5.00 116.67 116.01 1bzc s ASP 148 Ca -0.07 -2.24 -0.24 0.00 0.43 0.00 0.00 52.55 50.43 1bzc s ASP 148 Cb -0.04 -0.83 -0.04 0.00 -0.30 0.00 0.00 42.92 41.71 1bzc s ASP 148 CO 0.01 -0.32 0.73 -0.63 -0.17 0.00 0.00 175.17 174.79 1bzc s ILE 149 N 0.88 4.99 0.29 4.11 1.01 -1.26 -1.52 121.20 129.70 1bzc s ILE 149 Ca 0.15 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.33 1bzc s ILE 149 Cb -0.22 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 1bzc s ILE 149 CO -0.07 0.26 0.01 0.29 0.00 0.00 0.00 174.94 175.43 1bzc n LYS 150 N 3.66 1.25 -0.07 2.79 4.76 -0.45 -5.01 118.16 125.09 1bzc n LYS 150 Ca -0.01 -2.10 -0.11 0.00 -2.87 0.00 0.00 58.31 53.22 1bzc n LYS 150 Cb 0.51 0.61 -0.05 0.00 -1.84 0.00 0.00 35.03 34.26 1bzc n LYS 150 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1bzc h SER 151 N 0.72 0.35 -0.08 4.39 4.64 -0.69 -3.35 113.55 119.54 1bzc h SER 151 Ca -0.24 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1bzc h SER 151 Cb 0.73 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1bzc h SER 151 CO 0.39 0.56 0.00 0.00 -0.87 0.00 0.00 176.83 176.91 1bzc n TYR 152 N -4.70 0.10 -3.55 4.77 4.11 -1.26 -4.96 117.16 111.66 1bzc n TYR 152 Ca -0.04 -0.17 -0.17 0.00 -0.00 0.00 0.00 57.90 57.51 1bzc n TYR 152 Cb 0.22 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.48 1bzc n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1bzc s TYR 153 N -0.71 -0.61 -0.08 -3.48 1.13 -1.26 -1.18 117.35 111.16 1bzc s TYR 153 Ca 0.10 1.04 0.04 0.00 -1.41 0.00 0.00 57.07 56.84 1bzc s TYR 153 Cb 0.06 0.37 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1bzc s TYR 153 CO 0.09 -0.58 -0.20 0.99 -2.51 0.00 0.00 175.55 173.34 1bzc s THR 154 N -1.18 1.73 -0.14 -3.49 2.01 -0.14 -1.33 115.64 113.09 1bzc s THR 154 Ca -0.11 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 1bzc s THR 154 Cb -0.01 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1bzc s THR 154 CO 0.09 0.49 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.80 1bzc s VAL 155 N 0.41 4.13 0.12 3.82 1.01 -0.58 -0.52 120.40 128.79 1bzc s VAL 155 Ca -0.16 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1bzc s VAL 155 Cb -0.17 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1bzc s VAL 155 CO 0.07 0.52 -0.18 -0.13 0.00 0.00 0.00 175.10 175.38 1bzc s ARG 156 N 0.04 1.09 -0.18 2.72 0.52 0.83 -0.05 118.95 123.91 1bzc s ARG 156 Ca 0.02 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 53.98 1bzc s ARG 156 Cb -0.13 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.15 1bzc s ARG 156 CO 0.02 0.25 -0.05 -0.65 0.02 0.00 0.00 175.30 174.89 1bzc s GLN 157 N -2.28 3.52 0.14 3.54 -0.21 -0.74 -0.32 119.66 123.31 1bzc s GLN 157 Ca 0.08 -0.58 0.08 0.00 0.02 0.00 0.00 55.36 54.96 1bzc s GLN 157 Cb -0.08 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1bzc s GLN 157 CO 0.04 0.06 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.57 1bzc s LEU 158 N 0.81 2.39 -0.23 2.90 1.43 0.03 -0.88 118.68 125.12 1bzc s LEU 158 Ca -0.02 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1bzc s LEU 158 Cb -0.15 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.25 1bzc s LEU 158 CO 0.02 0.01 -0.13 -0.70 0.23 0.00 0.00 176.35 175.77 1bzc s GLU 159 N -2.47 2.61 -0.21 1.70 2.12 -0.26 -0.93 118.70 121.26 1bzc s GLU 159 Ca 0.12 -1.10 -0.09 0.00 0.36 0.00 0.00 54.97 54.26 1bzc s GLU 159 Cb -0.07 -2.79 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 1bzc s GLU 159 CO 0.06 -0.41 0.12 -1.17 -0.54 0.00 0.00 175.26 173.32 1bzc s LEU 160 N 1.21 4.04 -0.09 2.70 2.96 0.21 -1.72 118.68 128.00 1bzc s LEU 160 Ca -0.02 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1bzc s LEU 160 Cb -0.17 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.47 1bzc s LEU 160 CO -0.08 0.12 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.18 1bzc s GLU 161 N 0.69 2.54 -0.50 1.98 2.12 0.46 -0.91 118.70 125.08 1bzc s GLU 161 Ca 0.07 -0.70 -0.26 0.00 0.36 0.00 0.00 54.97 54.43 1bzc s GLU 161 Cb -0.12 -1.97 0.03 0.00 0.26 0.00 0.00 34.13 32.33 1bzc s GLU 161 CO 0.01 0.12 1.02 1.21 -0.54 0.00 0.00 175.26 177.08 1bzc s ASN 162 N 0.47 6.49 0.59 -1.70 3.84 -0.46 -1.02 114.94 123.15 1bzc s ASN 162 Ca -0.17 0.10 0.38 0.00 0.21 0.00 0.00 52.86 53.38 1bzc s ASN 162 Cb -0.17 -2.49 1.85 0.00 -0.55 0.00 0.00 41.25 39.89 1bzc s ASN 162 CO 0.07 -1.20 2.15 -0.07 -2.79 0.00 0.00 177.10 175.25 1bzc h LEU 163 N 11.02 0.00 -0.03 3.21 3.38 -1.37 0.74 115.31 132.26 1bzc h LEU 163 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1bzc h LEU 163 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1bzc h LEU 163 CO 1.09 0.00 -0.20 0.74 0.09 0.00 0.00 178.44 180.16 1bzc h THR 164 N 0.00 1.48 0.00 0.22 2.02 -1.91 -3.35 112.91 111.38 1bzc h THR 164 Ca 0.00 -1.71 -0.09 0.00 0.77 0.00 0.00 66.41 65.38 1bzc h THR 164 Cb 0.25 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1bzc h THR 164 CO 0.00 0.47 -1.27 0.41 0.37 0.00 0.00 175.52 175.50 1bzc n THR 165 N -4.56 0.89 -2.08 3.16 -1.04 -1.10 -4.96 114.28 104.59 1bzc n THR 165 Ca -0.09 -0.62 -0.16 0.00 -2.04 0.00 0.00 64.05 61.14 1bzc n THR 165 Cb 0.44 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 68.40 1bzc n THR 165 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bzc n GLN 166 N -2.77 -1.21 -3.42 -2.82 6.02 0.26 -4.99 117.38 108.45 1bzc n GLN 166 Ca -0.05 0.84 -0.36 0.00 -0.01 0.00 0.00 57.00 57.41 1bzc n GLN 166 Cb 0.70 -5.16 -0.06 0.00 1.02 0.00 0.00 30.24 26.75 1bzc n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1bzc s GLU 167 N -4.41 3.94 0.07 -1.09 2.12 -1.19 -4.91 118.70 113.23 1bzc s GLU 167 Ca 0.00 0.43 0.09 0.00 0.36 0.00 0.00 54.97 55.85 1bzc s GLU 167 Cb 0.00 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 1bzc s GLU 167 CO 0.00 0.55 -0.26 0.99 -0.54 0.00 0.00 175.26 176.00 1bzc s THR 168 N -1.36 2.09 0.02 -1.70 2.01 -1.26 -1.35 115.64 114.09 1bzc s THR 168 Ca 0.34 -1.48 -0.06 0.00 0.31 0.00 0.00 61.69 60.80 1bzc s THR 168 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1bzc s THR 168 CO 0.18 0.24 0.10 -0.13 -0.69 0.00 0.00 174.62 174.32 1bzc s ARG 169 N -1.50 0.52 -0.20 4.92 0.52 -0.08 -4.99 118.95 118.13 1bzc s ARG 169 Ca 0.12 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.60 1bzc s ARG 169 Cb -0.10 0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 1bzc s ARG 169 CO 0.03 -0.12 0.22 -2.00 0.02 0.00 0.00 175.30 173.45 1bzc s GLU 170 N -2.01 4.18 -0.09 3.54 2.12 -1.26 -0.62 118.70 124.56 1bzc s GLU 170 Ca -0.10 -0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.18 1bzc s GLU 170 Cb -0.05 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1bzc s GLU 170 CO -0.02 0.18 -0.18 0.42 -0.54 0.00 0.00 175.26 175.12 1bzc s ILE 171 N 0.69 2.62 -0.16 -3.70 -1.09 -0.11 -4.85 121.20 114.61 1bzc s ILE 171 Ca 0.12 -0.84 -0.09 0.00 -2.23 0.00 0.00 60.65 57.61 1bzc s ILE 171 Cb -0.13 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 1bzc s ILE 171 CO 0.03 0.56 0.15 -0.76 -1.23 0.00 0.00 174.94 173.69 1bzc s LEU 172 N 0.00 4.29 -0.25 2.97 1.43 0.16 -0.79 118.68 126.49 1bzc s LEU 172 Ca -0.06 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1bzc s LEU 172 Cb -0.15 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.00 1bzc s LEU 172 CO 0.05 0.27 -0.09 -2.28 0.23 0.00 0.00 176.35 174.53 1bzc s HIS 173 N -0.24 3.14 -0.38 0.29 2.46 0.56 -0.43 115.29 120.70 1bzc s HIS 173 Ca 0.12 -1.93 -0.12 0.00 0.47 0.00 0.00 55.06 53.60 1bzc s HIS 173 Cb -0.12 -2.00 0.02 0.00 -0.13 0.00 0.00 32.58 30.36 1bzc s HIS 173 CO 0.01 -0.81 0.23 -0.06 -2.47 0.00 0.00 174.74 171.64 1bzc s PHE 174 N 1.22 3.24 -0.33 3.88 0.08 0.07 -0.12 117.98 126.01 1bzc s PHE 174 Ca -0.04 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.14 1bzc s PHE 174 Cb -0.18 -2.47 0.05 0.00 -0.57 0.00 0.00 43.02 39.85 1bzc s PHE 174 CO -0.05 -0.61 0.08 -1.58 -0.10 0.00 0.00 175.22 172.95 1bzc s HIS 175 N 1.59 3.30 -0.45 0.36 2.46 0.32 -0.58 115.29 122.29 1bzc s HIS 175 Ca 0.03 -1.72 -0.27 0.00 0.47 0.00 0.00 55.06 53.57 1bzc s HIS 175 Cb -0.19 -2.34 0.03 0.00 -0.13 0.00 0.00 32.58 29.95 1bzc s HIS 175 CO 0.08 -0.79 1.01 -0.47 -2.47 0.00 0.00 174.74 172.09 1bzc s TYR 176 N 1.31 2.91 -2.48 3.88 6.14 0.71 -0.97 117.35 128.86 1bzc s TYR 176 Ca -0.02 0.57 0.26 0.00 0.64 0.00 0.00 57.07 58.52 1bzc s TYR 176 Cb -0.20 -4.09 0.60 0.00 0.42 0.00 0.00 41.96 38.69 1bzc s TYR 176 CO 0.00 -1.12 1.48 0.25 0.64 0.00 0.00 175.55 176.81 1bzc n THR 177 N 6.50 0.00 -1.52 4.34 -2.24 -0.33 -3.99 114.28 117.04 1bzc n THR 177 Ca 0.09 -0.31 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 1bzc n THR 177 Cb 0.49 0.89 0.17 0.00 -2.10 0.00 0.00 70.33 69.77 1bzc n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bzc n THR 178 N 0.38 1.90 -3.56 4.28 -2.24 -1.24 -4.89 114.28 108.91 1bzc n THR 178 Ca 0.15 -2.71 -0.41 0.00 -2.27 0.00 0.00 64.05 58.81 1bzc n THR 178 Cb 0.44 -0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1bzc n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1bzc s TRP 179 N -2.82 3.40 0.54 4.78 -0.11 -1.26 -4.68 118.94 118.80 1bzc s TRP 179 Ca 0.35 -1.78 -0.21 0.00 1.22 0.00 0.00 56.10 55.68 1bzc s TRP 179 Cb 0.33 -3.37 -0.05 0.00 -1.50 0.00 0.00 33.47 28.88 1bzc s TRP 179 CO -0.05 -0.96 1.21 -2.14 -4.62 0.00 0.00 176.95 170.39 1bzc s PRO 180 N 1.38 3.29 0.10 5.86 0.02 -1.26 -4.63 135.00 139.76 1bzc s PRO 180 Ca 0.05 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.60 1bzc s PRO 180 Cb -0.25 -2.13 -0.08 0.00 0.02 0.00 0.00 34.50 32.05 1bzc s PRO 180 CO 0.00 -0.95 1.54 0.16 -0.33 0.00 0.00 177.00 177.42 1bzc s ASP 181 N -1.45 6.67 -0.77 2.53 -4.77 -1.26 -0.56 116.67 117.06 1bzc s ASP 181 Ca 0.72 2.45 0.00 0.00 -3.30 0.00 0.00 52.55 52.42 1bzc s ASP 181 Cb -0.30 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 38.95 1bzc s ASP 181 CO 0.35 -0.80 0.00 0.49 0.70 0.00 0.00 175.17 175.91 1bzc n PHE 182 N 4.72 0.00 -4.06 2.11 3.72 -1.26 -4.98 117.46 117.71 1bzc n PHE 182 Ca 0.14 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.41 1bzc n PHE 182 Cb 0.41 -1.62 -0.02 0.00 -0.94 0.00 0.00 39.48 37.31 1bzc n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bzc n GLY 183 N -1.74 3.50 3.45 1.37 0.00 0.28 -4.95 105.19 107.10 1bzc n GLY 183 Ca -0.07 -2.26 -0.22 0.00 0.00 0.00 0.00 46.02 43.47 1bzc n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bzc s VAL 184 N -1.55 1.80 1.03 1.61 -7.23 -1.26 -4.76 120.40 110.04 1bzc s VAL 184 Ca 0.06 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 57.95 1bzc s VAL 184 Cb -0.00 -2.48 0.21 0.00 0.56 0.00 0.00 36.38 34.67 1bzc s VAL 184 CO 0.04 -0.29 1.07 -2.84 -0.31 0.00 0.00 175.10 172.77 1bzc s PRO 185 N -3.69 0.13 0.28 4.82 0.02 -1.26 -4.56 135.00 130.73 1bzc s PRO 185 Ca 0.30 0.77 0.01 0.00 0.02 0.00 0.00 61.00 62.10 1bzc s PRO 185 Cb 0.03 -1.68 0.55 0.00 0.02 0.00 0.00 34.50 33.42 1bzc s PRO 185 CO 0.13 -3.00 1.83 1.49 -0.33 0.00 0.00 177.00 177.12 1bzc h GLU 186 N -2.10 0.93 -1.77 5.54 4.81 -1.97 -3.46 114.58 116.57 1bzc h GLU 186 Ca -0.55 -0.06 0.25 0.00 -0.13 0.00 0.00 59.36 58.87 1bzc h GLU 186 Cb 1.32 -0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.36 1bzc h GLU 186 CO 0.53 0.62 0.70 -1.54 -0.73 0.00 0.00 179.01 178.59 1bzc s SER 187 N -5.66 -0.14 0.36 1.04 1.04 -1.26 -4.99 113.70 104.09 1bzc s SER 187 Ca -0.12 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.21 1bzc s SER 187 Cb 0.22 0.26 0.72 0.00 0.10 0.00 0.00 66.02 67.32 1bzc s SER 187 CO 0.81 -0.47 1.97 -0.65 0.98 0.00 0.00 173.24 175.88 1bzc h PRO 188 N 2.00 0.76 0.14 4.02 0.11 -1.94 -1.77 132.00 135.32 1bzc h PRO 188 Ca -0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1bzc h PRO 188 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1bzc h PRO 188 CO 0.27 0.50 -0.07 0.00 -0.21 0.00 0.00 178.00 178.49 1bzc h ALA 189 N 1.61 -0.19 0.06 -0.75 0.00 -1.95 0.16 119.26 118.19 1bzc h ALA 189 Ca 0.30 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1bzc h ALA 189 Cb 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bzc h ALA 189 CO -0.09 -0.58 -0.08 0.77 0.00 0.00 0.00 179.25 179.26 1bzc h SER 190 N -0.25 -0.23 0.05 0.00 0.02 -1.71 0.13 113.55 111.57 1bzc h SER 190 Ca -0.02 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1bzc h SER 190 Cb 0.19 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1bzc h SER 190 CO 0.03 -0.13 -0.08 0.15 -1.14 0.00 0.00 176.83 175.66 1bzc h PHE 191 N -0.18 -0.21 -0.26 3.45 3.57 -1.25 -1.77 116.94 120.30 1bzc h PHE 191 Ca 0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1bzc h PHE 191 Cb 0.18 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1bzc h PHE 191 CO -0.12 -0.13 0.02 -0.07 -2.23 0.00 0.00 178.31 175.78 1bzc h LEU 192 N -0.17 0.35 -0.93 0.59 3.38 -0.57 0.17 115.31 118.14 1bzc h LEU 192 Ca 0.01 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1bzc h LEU 192 Cb 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1bzc h LEU 192 CO -0.05 0.39 -0.16 -1.13 0.09 0.00 0.00 178.44 177.59 1bzc h ASN 193 N 0.38 0.60 -0.05 -0.43 -0.00 -0.36 -1.07 115.58 114.65 1bzc h ASN 193 Ca 0.09 -0.18 -0.06 0.00 -0.00 0.00 0.00 56.30 56.15 1bzc h ASN 193 Cb 0.21 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 38.38 1bzc h ASN 193 CO 0.00 0.77 -0.21 0.15 -0.00 0.00 0.00 177.43 178.15 1bzc h PHE 194 N 0.55 0.30 -0.03 0.67 3.57 -0.37 -2.80 116.94 118.81 1bzc h PHE 194 Ca 0.09 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.48 1bzc h PHE 194 Cb 0.59 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1bzc h PHE 194 CO 0.02 0.84 -0.10 1.25 -2.23 0.00 0.00 178.31 178.09 1bzc h LEU 195 N -0.32 -0.30 -1.61 0.59 5.85 -0.58 -2.53 115.31 116.41 1bzc h LEU 195 Ca -0.01 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1bzc h LEU 195 Cb 0.85 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1bzc h LEU 195 CO 0.04 -0.14 0.05 -0.26 -0.34 0.00 0.00 178.44 177.79 1bzc h PHE 196 N -0.16 0.29 -0.45 1.25 -1.00 -1.26 -0.18 116.94 115.43 1bzc h PHE 196 Ca 0.05 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 1bzc h PHE 196 Cb 0.22 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1bzc h PHE 196 CO -0.18 0.27 -0.01 0.87 -1.61 0.00 0.00 178.31 177.66 1bzc h LYS 197 N 0.30 0.74 -0.45 1.51 6.56 -1.20 0.23 116.57 124.26 1bzc h LYS 197 Ca 0.07 -0.20 -0.10 0.00 -1.06 0.00 0.00 60.65 59.37 1bzc h LYS 197 Cb 0.13 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1bzc h LYS 197 CO -0.00 0.76 -0.11 0.28 -2.06 0.00 0.00 179.45 178.32 1bzc h VAL 198 N 0.70 1.27 -0.40 0.50 2.07 -0.81 -2.18 116.25 117.40 1bzc h VAL 198 Ca 0.14 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1bzc h VAL 198 Cb 0.44 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1bzc h VAL 198 CO 0.02 0.42 0.15 0.03 0.02 0.00 0.00 177.57 178.21 1bzc h ARG 199 N 0.72 0.60 0.00 1.57 3.08 -0.46 -3.13 114.38 116.75 1bzc h ARG 199 Ca 0.12 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1bzc h ARG 199 Cb 0.65 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1bzc h ARG 199 CO 0.04 0.57 -0.18 0.93 -1.07 0.00 0.00 179.97 180.27 1bzc h GLU 200 N 0.50 0.00 0.00 0.04 5.08 -0.38 -2.97 114.58 116.84 1bzc h GLU 200 Ca 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1bzc h GLU 200 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1bzc h GLU 200 CO -0.01 0.18 -0.22 0.66 -1.00 0.00 0.00 179.01 178.61 1bzc h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.33 -3.46 113.55 114.81 1bzc h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bzc h SER 201 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1bzc h SER 201 CO 0.02 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 1bzc n GLY 202 N -0.43 0.77 0.23 -0.77 0.00 -1.12 -4.96 105.19 98.91 1bzc n GLY 202 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1bzc n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bzc h SER 203 N 0.00 0.00 0.09 1.61 0.02 -1.79 -2.88 113.55 110.59 1bzc h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bzc h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1bzc h SER 203 CO 0.00 0.23 -0.20 0.18 -1.14 0.00 0.00 176.83 175.90 1bzc n LEU 204 N -3.83 1.61 -4.71 5.07 4.77 -1.26 -4.47 117.00 114.17 1bzc n LEU 204 Ca -0.02 -0.52 -0.39 0.00 -0.03 0.00 0.00 56.01 55.05 1bzc n LEU 204 Cb 0.33 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1bzc n LEU 204 CO 0.34 0.28 0.88 -0.24 -1.33 0.00 0.00 177.39 177.33 1bzc n SER 205 N -0.05 2.35 0.00 -1.43 2.88 -1.09 -4.88 113.62 111.39 1bzc n SER 205 Ca 0.14 0.99 0.07 0.00 -1.33 0.00 0.00 58.87 58.73 1bzc n SER 205 Cb 0.41 -1.53 0.31 0.00 -0.75 0.00 0.00 64.21 62.65 1bzc n SER 205 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bzc n PRO 206 N -0.71 0.08 0.00 -1.46 -0.04 -1.26 -1.93 135.00 129.68 1bzc n PRO 206 Ca 0.10 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.92 1bzc n PRO 206 Cb 0.44 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.96 1bzc n PRO 206 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1bzc n GLU 207 N -1.41 0.19 -4.16 0.54 0.28 -1.26 -4.83 120.64 109.98 1bzc n GLU 207 Ca 0.05 -0.04 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 1bzc n GLU 207 Cb 0.14 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.43 1bzc n GLU 207 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1bzc s HIS 208 N -2.84 2.62 1.04 -1.84 3.76 -0.81 -5.13 115.29 112.09 1bzc s HIS 208 Ca 0.18 -0.50 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 1bzc s HIS 208 Cb 0.19 -1.78 0.21 0.00 1.11 0.00 0.00 32.58 32.31 1bzc s HIS 208 CO 0.54 0.29 1.12 0.20 -0.85 0.00 0.00 174.74 176.04 1bzc s GLY 209 N -3.85 1.58 0.50 -2.22 0.00 0.84 -4.92 107.32 99.25 1bzc s GLY 209 Ca 0.39 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 44.28 1bzc s GLY 209 CO 0.22 0.09 1.41 -4.14 0.00 0.00 0.00 173.10 170.67 1bzc s PRO 210 N -5.18 3.40 0.46 2.90 0.02 -1.26 -4.39 135.00 130.95 1bzc s PRO 210 Ca 0.67 2.36 -0.23 0.00 0.02 0.00 0.00 61.00 63.81 1bzc s PRO 210 Cb -0.15 -2.46 -0.07 0.00 0.02 0.00 0.00 34.50 31.84 1bzc s PRO 210 CO 0.56 -1.02 1.20 0.54 -0.33 0.00 0.00 177.00 177.95 1bzc s VAL 211 N -1.24 2.93 -0.28 3.83 0.11 -1.26 -4.41 120.40 120.08 1bzc s VAL 211 Ca 0.66 0.72 -0.13 0.00 -2.93 0.00 0.00 61.98 60.30 1bzc s VAL 211 Cb -0.43 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1bzc s VAL 211 CO 0.53 0.01 0.26 -0.69 -3.33 0.00 0.00 175.10 171.88 1bzc s VAL 212 N -1.48 5.25 -0.08 2.04 1.01 -0.95 -0.97 120.40 125.23 1bzc s VAL 212 Ca 0.63 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1bzc s VAL 212 Cb -0.31 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1bzc s VAL 212 CO 0.38 0.21 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1bzc s VAL 213 N 1.88 3.37 0.09 2.92 1.01 0.12 -0.49 120.40 129.31 1bzc s VAL 213 Ca 0.10 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1bzc s VAL 213 Cb -0.16 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.89 1bzc s VAL 213 CO 0.11 0.58 0.48 -1.38 0.00 0.00 0.00 175.10 174.88 1bzc s HIS 214 N -0.50 -0.34 0.00 5.22 -3.43 0.56 -1.65 115.29 115.14 1bzc s HIS 214 Ca 0.07 0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 1bzc s HIS 214 Cb -0.12 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.37 1bzc s HIS 214 CO 0.02 -0.69 0.00 0.00 -2.00 0.00 0.00 174.74 172.07 1bzc h SER 216 N 0.00 0.00 0.96 0.00 0.87 -1.90 -2.50 113.55 110.98 1bzc h SER 216 Ca 0.00 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 1bzc h SER 216 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1bzc h SER 216 CO 0.00 0.68 -1.07 0.00 -0.53 0.00 0.00 176.83 175.91 1bzc h ALA 217 N -0.83 0.56 0.00 6.23 0.00 -1.88 -0.46 119.26 122.88 1bzc h ALA 217 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bzc h ALA 217 Cb 0.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bzc h ALA 217 CO -0.01 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1bzc n GLY 218 N 1.24 0.75 0.75 0.00 0.00 -1.25 -3.96 105.19 102.72 1bzc n GLY 218 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1bzc n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bzc n ILE 219 N -3.30 0.00 0.00 -0.61 -5.35 -1.26 -4.45 119.36 104.39 1bzc n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1bzc n ILE 219 Cb 0.38 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1bzc n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bzc n GLY 220 N 1.69 -0.94 0.33 3.28 0.00 -1.26 -1.27 105.19 107.02 1bzc n GLY 220 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1bzc n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bzc h ARG 221 N 0.00 1.12 -0.79 1.61 3.08 -1.94 -1.34 114.38 116.12 1bzc h ARG 221 Ca 0.00 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.81 1bzc h ARG 221 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1bzc h ARG 221 CO 0.00 0.97 0.52 0.77 -1.07 0.00 0.00 179.97 181.17 1bzc h SER 222 N 1.07 0.90 -0.53 7.04 0.02 -1.87 -1.48 113.55 118.70 1bzc h SER 222 Ca 0.23 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1bzc h SER 222 Cb 0.34 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1bzc h SER 222 CO -0.00 0.65 -0.06 1.23 -1.14 0.00 0.00 176.83 177.51 1bzc h GLY 223 N 1.07 1.08 0.96 -3.77 0.00 -0.81 -2.29 103.07 99.32 1bzc h GLY 223 Ca 0.29 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1bzc h GLY 223 CO -0.07 0.76 0.11 -0.84 0.00 0.00 0.00 176.54 176.51 1bzc h THR 224 N 0.90 1.24 0.17 4.70 2.02 -0.92 -0.64 112.91 120.38 1bzc h THR 224 Ca 0.15 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.51 1bzc h THR 224 Cb 0.61 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1bzc h THR 224 CO 0.04 0.29 -0.18 0.15 0.37 0.00 0.00 175.52 176.19 1bzc h PHE 225 N 0.62 -0.48 -0.39 3.16 3.57 -1.14 -2.50 116.94 119.78 1bzc h PHE 225 Ca 0.15 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1bzc h PHE 225 Cb 0.32 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1bzc h PHE 225 CO 0.02 -0.27 -0.10 0.00 -2.23 0.00 0.00 178.31 175.72 1bzc h LEU 227 N 0.62 0.14 0.26 0.00 5.85 -1.02 -0.54 115.31 120.61 1bzc h LEU 227 Ca 0.11 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1bzc h LEU 227 Cb 0.54 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1bzc h LEU 227 CO 0.03 0.19 -0.14 0.00 -0.34 0.00 0.00 178.44 178.18 1bzc h ALA 228 N 0.95 -0.37 -0.78 1.25 0.00 -1.32 -0.36 119.26 118.63 1bzc h ALA 228 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1bzc h ALA 228 Cb 0.09 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1bzc h ALA 228 CO -0.01 -0.71 0.47 0.22 0.00 0.00 0.00 179.25 179.22 1bzc h ASP 229 N -0.38 0.74 -0.36 0.00 3.58 -1.34 -0.95 116.42 117.71 1bzc h ASP 229 Ca -0.03 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 1bzc h ASP 229 Cb 0.30 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1bzc h ASP 229 CO 0.04 0.48 -0.02 0.74 -2.88 0.00 0.00 179.24 177.60 1bzc h THR 230 N 0.87 1.26 -0.70 2.25 2.02 -0.84 -1.57 112.91 116.21 1bzc h THR 230 Ca 0.34 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 1bzc h THR 230 Cb 0.16 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1bzc h THR 230 CO -0.17 0.34 0.23 0.00 0.37 0.00 0.00 175.52 176.29 1bzc h LEU 232 N 1.02 0.89 -0.44 0.00 3.38 -1.11 -0.91 115.31 118.16 1bzc h LEU 232 Ca 0.23 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1bzc h LEU 232 Cb 0.28 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1bzc h LEU 232 CO -0.01 0.78 0.23 -0.07 0.09 0.00 0.00 178.44 179.46 1bzc h LEU 233 N 0.95 0.35 -1.05 1.67 3.38 -0.80 -2.23 115.31 117.57 1bzc h LEU 233 Ca 0.23 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1bzc h LEU 233 Cb 0.13 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1bzc h LEU 233 CO -0.03 0.25 0.42 -0.07 0.09 0.00 0.00 178.44 179.10 1bzc h LEU 234 N 0.46 0.96 -1.38 1.67 3.38 -0.66 -1.76 115.31 117.99 1bzc h LEU 234 Ca 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1bzc h LEU 234 Cb 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1bzc h LEU 234 CO -0.12 0.78 -0.11 0.24 0.09 0.00 0.00 178.44 179.32 1bzc h MET 235 N 1.08 0.00 0.00 1.13 2.86 -0.74 0.11 114.93 119.37 1bzc h MET 235 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1bzc h MET 235 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1bzc h MET 235 CO -0.04 0.11 -0.48 0.22 1.06 0.00 0.00 176.91 177.78 1bzc h ASP 236 N 0.00 0.00 0.00 1.22 3.58 -0.76 -3.40 116.42 117.06 1bzc h ASP 236 Ca -0.00 -0.08 -0.33 0.00 0.42 0.00 0.00 57.03 57.04 1bzc h ASP 236 Cb 0.59 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.58 1bzc h ASP 236 CO 0.01 0.04 -2.19 1.17 -2.88 0.00 0.00 179.24 175.40 1bzc n LYS 237 N -2.47 0.50 -2.00 0.28 4.81 -0.80 -5.02 118.16 113.45 1bzc n LYS 237 Ca 0.03 0.15 -0.35 0.00 -0.87 0.00 0.00 58.31 57.26 1bzc n LYS 237 Cb 0.48 -1.37 0.03 0.00 0.02 0.00 0.00 35.03 34.20 1bzc n LYS 237 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1bzc s ARG 238 N -2.41 2.98 0.36 1.64 0.52 0.32 -4.92 118.95 117.44 1bzc s ARG 238 Ca -0.29 1.73 0.09 0.00 -0.52 0.00 0.00 55.73 56.74 1bzc s ARG 238 Cb 0.09 -1.94 0.83 0.00 0.52 0.00 0.00 34.95 34.44 1bzc s ARG 238 CO 0.45 -1.17 1.88 1.57 0.02 0.00 0.00 175.30 178.04 1bzc h LYS 239 N 0.78 0.66 -3.11 3.54 -0.00 -1.92 -3.39 116.57 113.13 1bzc h LYS 239 Ca -0.50 -0.04 -0.32 0.00 -0.00 0.00 0.00 60.65 59.79 1bzc h LYS 239 Cb 1.28 -0.15 -0.37 0.00 -0.00 0.00 0.00 32.23 33.00 1bzc h LYS 239 CO 0.55 0.44 -0.66 0.16 -0.00 0.00 0.00 179.45 179.93 1bzc s ASP 240 N -5.81 0.95 0.23 7.07 -4.77 -1.26 -5.02 116.67 108.06 1bzc s ASP 240 Ca -0.10 0.20 0.16 0.00 -3.30 0.00 0.00 52.55 49.51 1bzc s ASP 240 Cb 0.22 0.16 0.84 0.00 -1.09 0.00 0.00 42.92 43.05 1bzc s ASP 240 CO 0.79 -0.26 1.48 -0.81 0.70 0.00 0.00 175.17 177.07 1bzc n PRO 241 N 5.32 0.10 0.27 2.11 -0.04 -1.26 -2.03 135.00 139.46 1bzc n PRO 241 Ca -0.04 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1bzc n PRO 241 Cb 0.50 -1.82 0.75 0.00 -0.04 0.00 0.00 33.50 32.88 1bzc n PRO 241 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1bzc h SER 242 N 0.00 0.00 1.46 3.54 0.02 -1.96 -2.70 113.55 113.91 1bzc h SER 242 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bzc h SER 242 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1bzc h SER 242 CO 0.00 0.11 -0.11 0.28 -1.14 0.00 0.00 176.83 175.97 1bzc h SER 243 N 0.00 0.00 -2.65 3.07 0.02 -1.85 -3.04 113.55 109.11 1bzc h SER 243 Ca -0.00 -0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.35 1bzc h SER 243 Cb 0.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1bzc h SER 243 CO 0.01 0.01 1.23 -0.69 -1.14 0.00 0.00 176.83 176.26 1bzc s VAL 244 N -3.13 3.51 -0.44 2.27 1.01 -1.02 -4.95 120.40 117.65 1bzc s VAL 244 Ca 0.09 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1bzc s VAL 244 Cb 0.11 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1bzc s VAL 244 CO 0.63 -0.32 0.35 -0.62 0.00 0.00 0.00 175.10 175.14 1bzc s ASP 245 N 5.43 6.13 0.28 3.32 -1.08 -1.26 -4.68 116.67 124.81 1bzc s ASP 245 Ca 0.78 -1.09 -0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1bzc s ASP 245 Cb -0.25 -2.17 0.50 0.00 -1.46 0.00 0.00 42.92 39.53 1bzc s ASP 245 CO 0.32 -0.55 1.88 0.40 0.52 0.00 0.00 175.17 177.75 1bzc h ILE 246 N 5.69 1.03 -0.71 4.11 2.04 -1.99 -1.04 117.51 126.65 1bzc h ILE 246 Ca -0.28 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1bzc h ILE 246 Cb 1.12 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1bzc h ILE 246 CO 0.80 0.20 0.27 0.11 0.00 0.00 0.00 178.15 179.52 1bzc h LYS 247 N 1.07 1.07 -0.30 2.37 1.57 -1.99 -0.01 116.57 120.36 1bzc h LYS 247 Ca 0.44 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1bzc h LYS 247 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1bzc h LYS 247 CO -0.19 0.89 -0.39 0.87 -0.57 0.00 0.00 179.45 180.06 1bzc h LYS 248 N 1.02 0.70 0.02 3.15 1.57 -1.81 -2.17 116.57 119.05 1bzc h LYS 248 Ca 0.23 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1bzc h LYS 248 Cb 0.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1bzc h LYS 248 CO -0.02 0.98 -0.01 0.28 -0.57 0.00 0.00 179.45 180.11 1bzc h VAL 249 N 0.58 1.11 -0.88 0.50 2.07 -0.79 -1.63 116.25 117.21 1bzc h VAL 249 Ca 0.05 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1bzc h VAL 249 Cb 0.93 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 1bzc h VAL 249 CO 0.08 0.10 0.57 0.25 0.02 0.00 0.00 177.57 178.60 1bzc h LEU 250 N -0.20 0.86 -1.07 2.57 5.85 -0.96 -1.58 115.31 120.78 1bzc h LEU 250 Ca -0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1bzc h LEU 250 Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1bzc h LEU 250 CO 0.00 0.54 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.40 1bzc h LEU 251 N 0.97 0.44 -0.44 2.25 3.38 -1.00 -1.50 115.31 119.40 1bzc h LEU 251 Ca 0.39 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 1bzc h LEU 251 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1bzc h LEU 251 CO -0.15 0.64 -0.74 -0.78 0.09 0.00 0.00 178.44 177.50 1bzc h ASP 252 N 0.41 0.35 -0.31 -0.43 3.58 -0.47 -3.19 116.42 116.36 1bzc h ASP 252 Ca 0.07 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.26 1bzc h ASP 252 Cb 0.55 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1bzc h ASP 252 CO 0.04 0.97 0.09 0.24 -2.88 0.00 0.00 179.24 177.69 1bzc h MET 253 N 0.19 0.49 0.00 0.28 2.86 -0.93 -2.37 114.93 115.44 1bzc h MET 253 Ca -0.03 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1bzc h MET 253 Cb 1.31 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1bzc h MET 253 CO 0.12 0.54 0.00 0.54 1.06 0.00 0.00 176.91 179.17 1bzc n ARG 254 N -4.67 0.22 0.11 1.72 1.74 -0.60 -0.33 116.66 114.85 1bzc n ARG 254 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 1bzc n ARG 254 Cb 0.18 -1.42 0.15 0.00 -1.02 0.00 0.00 32.46 30.35 1bzc n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1bzc h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.46 -3.37 116.57 118.88 1bzc h LYS 255 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1bzc h LYS 255 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1bzc h LYS 255 CO 0.00 0.00 -2.29 1.19 -0.57 0.00 0.00 179.45 177.78 1bzc n PHE 256 N -2.51 0.00 -3.71 -1.35 3.72 0.55 -4.95 117.46 109.21 1bzc n PHE 256 Ca 0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.30 1bzc n PHE 256 Cb 0.49 -0.93 -0.09 0.00 -0.94 0.00 0.00 39.48 38.01 1bzc n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1bzc s ARG 257 N -2.47 0.55 0.64 -1.08 3.52 -1.14 -4.48 118.95 114.49 1bzc s ARG 257 Ca -0.09 0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 56.07 1bzc s ARG 257 Cb 0.06 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1bzc s ARG 257 CO 0.77 -0.08 1.05 0.00 -0.81 0.00 0.00 175.30 176.24 1bzc s MET 258 N 0.37 3.22 -0.03 5.12 0.23 -1.26 -4.09 119.30 122.86 1bzc s MET 258 Ca -0.01 1.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.66 1bzc s MET 258 Cb -0.04 -2.03 0.00 0.00 -1.53 0.00 0.00 34.83 31.24 1bzc s MET 258 CO -0.01 -0.87 0.00 0.41 -2.03 0.00 0.00 175.02 172.52 1bzc n GLY 259 N -1.71 0.19 3.68 3.16 0.00 -1.26 -4.87 105.19 104.37 1bzc n GLY 259 Ca 0.08 -0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.60 1bzc n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bzc n LEU 260 N -0.04 3.15 -1.13 0.99 4.77 -1.26 -4.09 117.00 119.39 1bzc n LEU 260 Ca -0.00 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1bzc n LEU 260 Cb 0.34 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1bzc n LEU 260 CO 0.00 -0.21 -0.11 -0.38 -1.33 0.00 0.00 177.39 175.37 1bzc n ILE 261 N 4.44 -4.54 0.86 -0.08 5.41 -0.55 -4.97 119.36 119.94 1bzc n ILE 261 Ca 0.21 0.72 0.10 0.00 1.00 0.00 0.00 62.75 64.78 1bzc n ILE 261 Cb 0.27 -3.35 0.02 0.00 -0.71 0.00 0.00 39.64 35.88 1bzc n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bzc n GLN 262 N 0.41 1.57 -3.93 0.38 1.13 -1.26 -4.89 117.38 110.80 1bzc n GLN 262 Ca 0.00 -1.16 -0.09 0.00 -1.94 0.00 0.00 57.00 53.80 1bzc n GLN 262 Cb 0.00 -1.39 -0.09 0.00 0.11 0.00 0.00 30.24 28.87 1bzc n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1bzc s THR 263 N -2.06 0.13 0.32 5.09 -4.23 -1.26 -5.03 115.64 108.61 1bzc s THR 263 Ca 0.19 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1bzc s THR 263 Cb 0.16 -0.86 0.14 0.00 1.34 0.00 0.00 72.50 73.29 1bzc s THR 263 CO 0.42 -0.59 1.85 0.00 -0.54 0.00 0.00 174.62 175.75 1bzc h ALA 264 N 3.72 1.32 -0.38 3.99 0.00 -1.94 -2.22 119.26 123.74 1bzc h ALA 264 Ca -0.32 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1bzc h ALA 264 Cb 1.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1bzc h ALA 264 CO 0.50 0.46 -0.05 1.49 0.00 0.00 0.00 179.25 181.65 1bzc h GLU 265 N 0.52 0.63 -0.06 0.00 4.57 -1.96 -0.99 114.58 117.29 1bzc h GLU 265 Ca 0.11 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 1bzc h GLU 265 Cb 0.38 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1bzc h GLU 265 CO 0.02 0.69 -0.55 1.96 -1.18 0.00 0.00 179.01 179.95 1bzc h GLN 266 N 0.59 0.18 -0.18 1.92 4.20 -1.75 0.11 115.11 120.18 1bzc h GLN 266 Ca 0.11 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1bzc h GLN 266 Cb 0.46 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1bzc h GLN 266 CO 0.02 0.68 -0.17 1.25 -0.67 0.00 0.00 178.83 179.94 1bzc h LEU 267 N 0.14 0.46 -0.71 1.46 5.85 -1.01 -2.01 115.31 119.49 1bzc h LEU 267 Ca -0.00 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.28 1bzc h LEU 267 Cb 1.01 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1bzc h LEU 267 CO 0.08 0.84 0.44 -0.09 -0.34 0.00 0.00 178.44 179.38 1bzc h ARG 268 N 0.09 0.83 -0.66 1.25 2.43 -1.05 -1.48 114.38 115.79 1bzc h ARG 268 Ca 0.03 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1bzc h ARG 268 Cb 0.71 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1bzc h ARG 268 CO 0.04 0.55 0.31 0.35 -1.51 0.00 0.00 179.97 179.72 1bzc h PHE 269 N 0.86 0.93 -0.90 2.20 3.04 -0.91 -1.73 116.94 120.43 1bzc h PHE 269 Ca 0.29 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 1bzc h PHE 269 Cb 0.03 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.21 1bzc h PHE 269 CO -0.04 0.68 0.55 0.77 -2.02 0.00 0.00 178.31 178.24 1bzc h SER 270 N 0.93 1.07 0.08 0.41 0.02 -0.51 0.41 113.55 115.96 1bzc h SER 270 Ca 0.23 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1bzc h SER 270 Cb 0.10 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1bzc h SER 270 CO -0.03 0.82 -0.04 1.88 -1.14 0.00 0.00 176.83 178.32 1bzc h TYR 271 N 1.24 -0.10 -0.08 3.45 -1.99 -0.90 -0.64 116.97 117.94 1bzc h TYR 271 Ca 0.32 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.08 1bzc h TYR 271 Cb -0.06 0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.66 1bzc h TYR 271 CO 0.00 0.01 -0.12 -0.07 -0.00 0.00 0.00 178.16 177.98 1bzc h LEU 272 N -0.18 -0.38 -0.74 3.88 3.38 -0.45 -0.28 115.31 120.53 1bzc h LEU 272 Ca -0.01 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1bzc h LEU 272 Cb 0.15 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1bzc h LEU 272 CO 0.02 -0.17 0.49 0.00 0.09 0.00 0.00 178.44 178.87 1bzc h ALA 273 N 0.87 0.94 -0.30 1.53 0.00 -0.13 -0.71 119.26 121.45 1bzc h ALA 273 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1bzc h ALA 273 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1bzc h ALA 273 CO -0.18 0.36 -0.18 0.28 0.00 0.00 0.00 179.25 179.52 1bzc h VAL 274 N 1.00 1.30 -0.35 0.00 2.07 -0.85 0.12 116.25 119.54 1bzc h VAL 274 Ca 0.27 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1bzc h VAL 274 Cb -0.12 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1bzc h VAL 274 CO -0.06 0.42 0.19 0.40 0.02 0.00 0.00 177.57 178.54 1bzc h ILE 275 N 0.41 1.15 -0.36 4.57 2.04 -0.86 0.24 117.51 124.70 1bzc h ILE 275 Ca 0.06 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1bzc h ILE 275 Cb 0.72 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1bzc h ILE 275 CO 0.05 0.15 0.06 -0.08 0.00 0.00 0.00 178.15 178.33 1bzc h GLU 276 N 0.44 0.59 0.00 2.37 4.57 -1.08 -2.42 114.58 119.05 1bzc h GLU 276 Ca 0.12 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1bzc h GLU 276 Cb 0.07 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1bzc h GLU 276 CO -0.02 0.65 -0.10 0.78 -1.18 0.00 0.00 179.01 179.15 1bzc h GLY 277 N 0.43 0.00 1.08 1.92 0.00 -0.42 -2.07 103.07 104.01 1bzc h GLY 277 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1bzc h GLY 277 CO 0.01 0.00 0.27 0.00 0.00 0.00 0.00 176.54 176.81 1bzc h ALA 278 N 1.90 1.04 -0.42 3.60 0.00 -0.02 -2.91 119.26 122.45 1bzc h ALA 278 Ca -0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1bzc h ALA 278 Cb 0.36 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1bzc h ALA 278 CO 0.01 0.66 -0.11 0.87 0.00 0.00 0.00 179.25 180.69 1bzc h LYS 279 N 1.12 -0.00 -1.47 0.00 1.57 -1.32 -1.60 116.57 114.87 1bzc h LYS 279 Ca 0.25 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.72 1bzc h LYS 279 Cb 0.27 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.44 1bzc h LYS 279 CO -0.01 -0.00 0.40 1.19 -0.57 0.00 0.00 179.45 180.45 1bzc n PHE 280 N -5.32 1.50 0.00 -1.35 3.01 -1.10 -2.74 117.46 111.45 1bzc n PHE 280 Ca 0.03 -1.85 0.00 0.00 1.01 0.00 0.00 57.45 56.64 1bzc n PHE 280 Cb 0.23 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 38.80 1bzc n PHE 280 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1bzc n ILE 281 N 0.30 0.00 -1.52 4.37 5.41 -0.84 -4.43 119.36 122.65 1bzc n ILE 281 Ca 0.29 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.77 1bzc n ILE 281 Cb 0.63 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.51 1bzc n ILE 281 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1bzc n MET 282 N -0.68 2.46 0.00 0.38 2.81 -0.66 -4.83 117.12 116.59 1bzc n MET 282 Ca 0.00 -2.40 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 1bzc n MET 282 Cb 0.00 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 1bzc n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bzc n GLY 283 N 0.85 2.25 0.24 3.03 0.00 -1.26 -4.85 105.19 105.46 1bzc n GLY 283 Ca 0.49 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1bzc n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bzc n ASP 284 N 1.99 0.13 0.23 1.61 2.03 -1.22 -3.89 116.55 117.44 1bzc n ASP 284 Ca 0.00 -0.57 0.13 0.00 0.52 0.00 0.00 54.79 54.86 1bzc n ASP 284 Cb 0.00 -0.07 0.67 0.00 -0.72 0.00 0.00 41.12 41.01 1bzc n ASP 284 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1bzc h SER 285 N 0.34 0.00 0.00 1.67 0.02 -1.77 -2.13 113.55 111.68 1bzc h SER 285 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bzc h SER 285 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1bzc h SER 285 CO 0.00 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 175.97 1bzc h SER 286 N 0.00 0.00 -0.26 3.07 0.02 -1.95 -2.24 113.55 112.19 1bzc h SER 286 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1bzc h SER 286 Cb 0.33 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 1bzc h SER 286 CO 0.00 0.00 -0.11 0.52 -1.14 0.00 0.00 176.83 176.10 1bzc n VAL 287 N -2.99 2.41 0.01 2.27 0.31 -0.80 -4.72 118.33 114.81 1bzc n VAL 287 Ca -0.03 -2.62 0.22 0.00 -0.01 0.00 0.00 64.34 61.90 1bzc n VAL 287 Cb 0.07 -0.29 0.72 0.00 -0.91 0.00 0.00 33.84 33.43 1bzc n VAL 287 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1bzc h GLN 288 N 1.05 0.00 0.00 5.55 4.15 -1.60 0.23 115.11 124.50 1bzc h GLN 288 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1bzc h GLN 288 Cb 1.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1bzc h GLN 288 CO 0.28 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 176.93 1bzc n ASP 289 N -4.08 0.13 -0.18 -0.69 8.00 -1.26 -1.19 116.55 117.29 1bzc n ASP 289 Ca 0.10 0.55 -0.03 0.00 0.71 0.00 0.00 54.79 56.13 1bzc n ASP 289 Cb 0.67 -0.57 0.18 0.00 -0.02 0.00 0.00 41.12 41.37 1bzc n ASP 289 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1bzc h GLN 290 N 0.00 0.93 -0.22 -1.24 4.15 -0.92 -1.45 115.11 116.36 1bzc h GLN 290 Ca 0.00 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.13 1bzc h GLN 290 Cb 0.07 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1bzc h GLN 290 CO 0.00 0.77 -0.36 -1.49 -1.93 0.00 0.00 178.83 175.82 1bzc h TRP 291 N 0.91 0.78 -0.48 3.99 6.55 -1.35 -1.50 115.95 124.84 1bzc h TRP 291 Ca 0.21 -0.27 -0.00 0.00 0.95 0.00 0.00 58.89 59.78 1bzc h TRP 291 Cb 0.20 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.33 1bzc h TRP 291 CO 0.01 1.02 0.29 -0.22 -1.05 0.00 0.00 178.44 178.49 1bzc h LYS 292 N 0.32 0.65 -0.01 0.49 3.64 -1.54 0.21 116.57 120.33 1bzc h LYS 292 Ca 0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1bzc h LYS 292 Cb 0.95 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1bzc h LYS 292 CO 0.08 0.46 -0.16 1.49 -2.27 0.00 0.00 179.45 179.06 1bzc h GLU 293 N 0.66 0.12 -0.05 1.90 4.57 -1.22 -3.19 114.58 117.37 1bzc h GLU 293 Ca 0.17 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1bzc h GLU 293 Cb -0.02 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1bzc h GLU 293 CO -0.03 0.85 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.41 1bzc h LEU 294 N -0.57 0.07 -0.08 1.64 4.07 -1.00 -1.62 115.31 117.81 1bzc h LEU 294 Ca -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1bzc h LEU 294 Cb 0.90 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1bzc h LEU 294 CO 0.03 0.24 0.00 -1.54 -1.08 0.00 0.00 178.44 176.09 1bzc n SER 295 N -4.31 0.24 0.00 -0.43 3.41 0.70 -4.84 113.62 108.39 1bzc n SER 295 Ca -0.02 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1bzc n SER 295 Cb 0.25 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1bzc n SER 295 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1bzc n HIS 296 N -1.74 0.00 0.00 7.33 8.25 -0.61 -4.83 115.22 123.62 1bzc n HIS 296 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1bzc n HIS 296 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1bzc n HIS 296 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1bzc n GLU 297 N 0.00 0.00 0.00 -0.41 2.13 -1.26 -4.84 120.64 116.26 1bzc n GLU 297 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1bzc n GLU 297 Cb 0.00 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1bzc n GLU 297 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47