#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bza s ILE 5 N 0.00 4.84 0.57 6.31 1.01 -1.26 -5.03 121.20 127.64 3bza s ILE 5 Ca 0.00 1.32 -0.18 0.00 0.00 0.00 0.00 60.65 61.79 3bza s ILE 5 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3bza s ILE 5 CO 0.00 -0.14 1.09 -2.16 0.00 0.00 0.00 174.94 173.73 3bza s PRO 6 N 2.84 3.29 -0.24 2.79 0.04 -1.26 -4.75 135.00 137.71 3bza s PRO 6 Ca 0.32 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 3bza s PRO 6 Cb -0.15 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3bza s PRO 6 CO 0.10 -0.86 1.07 0.21 0.04 0.00 0.00 177.00 177.56 3bza s LYS 7 N -3.66 4.23 0.77 4.56 2.20 -1.26 -5.00 119.74 121.58 3bza s LYS 7 Ca 0.68 1.36 -0.13 0.00 -0.36 0.00 0.00 55.97 57.52 3bza s LYS 7 Cb -0.20 -3.67 0.06 0.00 -1.51 0.00 0.00 37.83 32.51 3bza s LYS 7 CO 0.31 -0.68 1.16 -2.14 -0.36 0.00 0.00 175.35 173.64 3bza s PRO 8 N 3.31 2.01 0.12 4.03 0.02 -1.26 -4.95 135.00 138.28 3bza s PRO 8 Ca 0.46 1.55 -0.08 0.00 0.02 0.00 0.00 61.00 62.94 3bza s PRO 8 Cb -0.15 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 3bza s PRO 8 CO 0.08 -1.89 1.32 0.28 -0.33 0.00 0.00 177.00 176.46 3bza h VAL 9 N -0.75 1.33 -4.00 3.83 2.07 -1.97 -3.45 116.25 113.31 3bza h VAL 9 Ca -0.46 -2.15 -0.55 0.00 0.82 0.00 0.00 66.70 64.37 3bza h VAL 9 Cb 1.27 2.16 0.13 0.00 -1.52 0.00 0.00 31.29 33.33 3bza h VAL 9 CO 0.49 0.66 0.70 0.00 0.02 0.00 0.00 177.57 179.44 3bza n ALA 10 N -2.58 2.02 -1.78 1.67 0.00 -1.26 -4.94 120.51 113.64 3bza n ALA 10 Ca -0.07 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3bza n ALA 10 Cb 0.78 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 3bza n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bza s PRO 11 N -2.52 3.80 0.50 0.00 0.04 -1.26 -4.90 135.00 130.66 3bza s PRO 11 Ca 0.63 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 3bza s PRO 11 Cb -0.44 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 3bza s PRO 11 CO 0.56 -0.48 1.19 0.00 0.04 0.00 0.00 177.00 178.32 3bza s ALA 12 N -1.68 2.86 0.48 8.56 0.00 -1.26 -4.69 121.76 126.04 3bza s ALA 12 Ca 0.64 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 53.35 3bza s ALA 12 Cb -0.24 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 3bza s ALA 12 CO 0.29 -0.84 1.33 -1.25 0.00 0.00 0.00 175.76 175.30 3bza s PRO 13 N -2.88 3.53 -0.59 0.00 0.04 -1.26 -4.94 135.00 128.90 3bza s PRO 13 Ca 0.68 2.18 -0.27 0.00 0.04 0.00 0.00 61.00 63.64 3bza s PRO 13 Cb -0.30 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.80 3bza s PRO 13 CO 0.35 -0.86 1.11 0.34 0.04 0.00 0.00 177.00 177.99 3bza s ASP 14 N -0.88 6.37 -0.13 6.66 -1.08 -1.26 -4.94 116.67 121.41 3bza s ASP 14 Ca 0.65 -0.15 -0.18 0.00 -0.52 0.00 0.00 52.55 52.34 3bza s ASP 14 Cb -0.39 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.52 3bza s ASP 14 CO 0.48 -1.44 0.47 -0.63 0.52 0.00 0.00 175.17 174.57 3bza s ILE 15 N 4.69 5.19 -0.16 4.11 1.01 -1.26 -0.70 121.20 134.08 3bza s ILE 15 Ca 0.37 0.93 -0.26 0.00 0.00 0.00 0.00 60.65 61.69 3bza s ILE 15 Cb -0.10 -3.81 -0.23 0.00 0.01 0.00 0.00 42.46 38.33 3bza s ILE 15 CO 0.21 0.31 0.58 -0.07 0.00 0.00 0.00 174.94 175.98 3bza h LEU 16 N 6.86 0.00 -7.06 2.97 3.38 -1.00 -3.46 115.31 117.01 3bza h LEU 16 Ca -0.40 -0.82 0.28 0.00 0.09 0.00 0.00 57.88 57.02 3bza h LEU 16 Cb 1.18 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 3bza h LEU 16 CO 0.75 1.14 0.82 0.00 0.09 0.00 0.00 178.44 181.25 3bza s ARG 17 N -2.25 0.32 0.56 1.13 1.70 -1.21 -3.42 118.95 115.78 3bza s ARG 17 Ca -0.22 -0.14 -0.21 0.00 -0.47 0.00 0.00 55.73 54.70 3bza s ARG 17 Cb -0.00 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 3bza s ARG 17 CO 0.65 -0.14 1.31 0.00 -1.08 0.00 0.00 175.30 176.04 3bza n ALA 19 N -1.20 2.70 -3.44 0.00 0.00 0.06 -4.75 120.51 113.88 3bza n ALA 19 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 3bza n ALA 19 Cb 0.46 0.27 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 3bza n ALA 19 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3bza s TYR 20 N -1.86 -0.56 0.02 0.00 1.13 -1.09 -4.25 117.35 110.73 3bza s TYR 20 Ca 0.00 0.51 0.09 0.00 -1.41 0.00 0.00 57.07 56.25 3bza s TYR 20 Cb 0.00 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.36 3bza s TYR 20 CO 0.00 -0.79 -0.26 0.00 -2.51 0.00 0.00 175.55 171.99 3bza s ALA 21 N -3.17 2.16 -0.28 9.51 0.00 -0.99 -0.11 121.76 128.88 3bza s ALA 21 Ca -0.02 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 3bza s ALA 21 Cb -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3bza s ALA 21 CO -0.08 0.52 0.12 -2.00 0.00 0.00 0.00 175.76 174.32 3bza s GLU 22 N -0.99 3.54 -0.16 0.00 2.12 0.57 -0.80 118.70 122.98 3bza s GLU 22 Ca 0.11 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 3bza s GLU 22 Cb -0.10 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 3bza s GLU 22 CO 0.01 -0.29 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.87 3bza s LEU 23 N 1.63 3.06 0.05 2.70 1.43 0.06 -0.54 118.68 127.08 3bza s LEU 23 Ca 0.06 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 3bza s LEU 23 Cb -0.16 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3bza s LEU 23 CO 0.06 0.14 0.98 -0.69 0.23 0.00 0.00 176.35 177.06 3bza s VAL 24 N 0.55 4.67 0.15 -1.59 1.01 0.64 -0.83 120.40 125.00 3bza s VAL 24 Ca -0.04 2.05 0.08 0.00 0.00 0.00 0.00 61.98 64.06 3bza s VAL 24 Cb -0.15 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3bza s VAL 24 CO 0.03 0.23 -0.17 0.68 0.00 0.00 0.00 175.10 175.88 3bza s VAL 25 N 0.52 1.64 -0.09 2.92 -7.23 0.23 -2.60 120.40 115.79 3bza s VAL 25 Ca 0.50 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.86 3bza s VAL 25 Cb -0.22 -1.74 -0.24 0.00 0.56 0.00 0.00 36.38 34.73 3bza s VAL 25 CO 0.29 -0.36 0.47 0.35 -0.31 0.00 0.00 175.10 175.53 3bza n THR 26 N 0.35 1.66 -3.88 5.32 -2.24 -1.26 -0.95 114.28 113.28 3bza n THR 26 Ca -0.14 -0.74 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 3bza n THR 26 Cb 0.57 -1.29 -0.15 0.00 -2.10 0.00 0.00 70.33 67.36 3bza n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bza s ASP 27 N -6.44 4.09 0.17 3.42 -1.08 -1.26 -4.73 116.67 110.83 3bza s ASP 27 Ca -0.13 -1.56 -0.13 0.00 -0.52 0.00 0.00 52.55 50.20 3bza s ASP 27 Cb 0.07 -1.15 0.07 0.00 -1.46 0.00 0.00 42.92 40.46 3bza s ASP 27 CO 0.79 -0.34 1.79 0.25 0.52 0.00 0.00 175.17 178.18 3bza h LEU 28 N 7.93 0.69 -0.78 -1.34 5.85 -1.94 -1.02 115.31 124.71 3bza h LEU 28 Ca -0.13 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3bza h LEU 28 Cb 1.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3bza h LEU 28 CO 0.45 0.57 0.31 0.00 -0.34 0.00 0.00 178.44 179.44 3bza h ALA 29 N 1.14 1.01 -0.51 1.25 0.00 -1.96 0.12 119.26 120.30 3bza h ALA 29 Ca 0.20 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3bza h ALA 29 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3bza h ALA 29 CO -0.03 0.63 -0.03 0.87 0.00 0.00 0.00 179.25 180.69 3bza h LYS 30 N 1.13 0.93 -0.55 0.00 1.79 -1.91 -1.61 116.57 116.33 3bza h LYS 30 Ca 0.26 -0.31 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 3bza h LYS 30 Cb 0.22 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 3bza h LYS 30 CO -0.02 0.96 0.15 0.77 -1.08 0.00 0.00 179.45 180.24 3bza h SER 31 N 0.79 0.77 -0.77 0.86 0.02 -0.84 -2.71 113.55 111.68 3bza h SER 31 Ca 0.14 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3bza h SER 31 Cb 0.57 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3bza h SER 31 CO 0.03 0.75 0.33 -0.09 -1.14 0.00 0.00 176.83 176.71 3bza h ARG 32 N 0.81 1.13 -0.99 3.45 2.43 -0.46 -1.16 114.38 119.59 3bza h ARG 32 Ca 0.18 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3bza h ARG 32 Cb 0.26 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 3bza h ARG 32 CO -0.01 0.90 0.64 -0.91 -1.51 0.00 0.00 179.97 179.09 3bza h ASN 33 N 1.10 1.05 0.43 -3.80 2.35 -1.00 0.68 115.58 116.38 3bza h ASN 33 Ca 0.26 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 3bza h ASN 33 Cb 0.18 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3bza h ASN 33 CO -0.03 0.69 -0.21 0.15 -1.65 0.00 0.00 177.43 176.39 3bza h PHE 34 N 1.20 -0.53 0.00 1.19 3.57 -1.14 -0.37 116.94 120.85 3bza h PHE 34 Ca 0.41 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.75 3bza h PHE 34 Cb 0.09 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3bza h PHE 34 CO -0.00 -0.22 -0.71 1.88 -2.23 0.00 0.00 178.31 177.03 3bza h TYR 35 N -1.00 0.00 0.00 0.41 0.05 -1.09 -0.96 116.97 114.38 3bza h TYR 35 Ca -0.06 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 3bza h TYR 35 Cb 0.56 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 3bza h TYR 35 CO 0.02 0.71 -1.21 0.28 -1.05 0.00 0.00 178.16 176.91 3bza n VAL 36 N -3.46 1.50 -0.09 -2.88 0.31 0.22 -1.50 118.33 112.42 3bza n VAL 36 Ca 0.00 0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 3bza n VAL 36 Cb 0.76 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.36 3bza n VAL 36 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3bza h ASP 37 N -1.00 0.64 0.00 4.52 3.32 -1.40 -0.18 116.42 122.31 3bza h ASP 37 Ca -0.11 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 3bza h ASP 37 Cb 1.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 3bza h ASP 37 CO -0.07 0.93 -0.18 0.58 -1.72 0.00 0.00 179.24 178.78 3bza h VAL 38 N 0.35 1.25 0.00 -1.35 2.07 -0.85 -3.39 116.25 114.33 3bza h VAL 38 Ca 0.06 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3bza h VAL 38 Cb 0.70 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3bza h VAL 38 CO 0.05 0.42 -0.74 -0.07 0.02 0.00 0.00 177.57 177.26 3bza h LEU 39 N -1.00 0.00 0.04 2.57 3.38 -1.28 -3.49 115.31 115.53 3bza h LEU 39 Ca -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3bza h LEU 39 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3bza h LEU 39 CO -0.03 0.10 -0.02 0.61 0.09 0.00 0.00 178.44 179.20 3bza n GLY 40 N 1.31 0.49 3.72 0.83 0.00 -0.08 -4.52 105.19 106.93 3bza n GLY 40 Ca 0.03 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3bza n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bza s LEU 41 N -0.20 3.38 -0.15 0.99 1.43 -0.56 -4.88 118.68 118.69 3bza s LEU 41 Ca 0.00 2.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 3bza s LEU 41 Cb 0.00 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 3bza s LEU 41 CO 0.00 -2.28 0.21 -1.00 0.23 0.00 0.00 176.35 173.51 3bza s HIS 42 N -1.75 3.49 -0.26 0.29 3.76 -0.43 -4.64 115.29 115.75 3bza s HIS 42 Ca 0.78 0.51 -0.28 0.00 -0.15 0.00 0.00 55.06 55.93 3bza s HIS 42 Cb -0.33 -2.18 0.01 0.00 1.11 0.00 0.00 32.58 31.19 3bza s HIS 42 CO 0.44 0.40 0.98 0.08 -0.85 0.00 0.00 174.74 175.79 3bza s VAL 43 N -0.03 4.68 -0.03 -0.90 1.01 -1.26 -0.64 120.40 123.23 3bza s VAL 43 Ca 0.14 1.78 0.07 0.00 0.00 0.00 0.00 61.98 63.97 3bza s VAL 43 Cb -0.12 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.74 3bza s VAL 43 CO 0.02 -0.24 0.71 0.28 0.00 0.00 0.00 175.10 175.88 3bza h SER 44 N 7.72 0.11 -3.61 3.32 0.02 -0.96 -3.48 113.55 116.67 3bza h SER 44 Ca -0.21 -0.21 0.10 0.00 -0.84 0.00 0.00 61.79 60.64 3bza h SER 44 Cb 1.07 -0.04 -0.25 0.00 0.14 0.00 0.00 62.40 63.32 3bza h SER 44 CO 0.96 1.18 0.60 -0.47 -1.14 0.00 0.00 176.83 177.96 3bza s TYR 45 N -2.61 -0.33 0.03 3.45 5.04 -1.18 -5.01 117.35 116.75 3bza s TYR 45 Ca -0.07 0.66 -0.18 0.00 -2.44 0.00 0.00 57.07 55.04 3bza s TYR 45 Cb 0.08 0.43 0.04 0.00 0.35 0.00 0.00 41.96 42.86 3bza s TYR 45 CO 0.82 -0.25 0.41 -1.83 -1.34 0.00 0.00 175.55 173.36 3bza s GLU 46 N -0.66 0.90 0.00 4.97 -1.05 -1.26 -0.27 118.70 121.33 3bza s GLU 46 Ca 0.01 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.52 3bza s GLU 46 Cb -0.02 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 3bza s GLU 46 CO -0.03 -0.30 0.00 -0.40 0.95 0.00 0.00 175.26 175.48 3bza n ASP 47 N 0.60 0.00 0.00 0.83 5.68 -0.35 -5.01 116.55 118.30 3bza n ASP 47 Ca -0.19 -0.38 0.11 0.00 -0.50 0.00 0.00 54.79 53.83 3bza n ASP 47 Cb 0.59 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.11 3bza n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bza n GLU 48 N 0.00 0.15 -0.04 0.11 1.02 -1.26 -3.67 120.64 116.95 3bza n GLU 48 Ca 0.00 0.09 -0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3bza n GLU 48 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 3bza n GLU 48 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bza n ASN 49 N -1.40 2.70 -3.91 1.62 3.02 -1.26 -4.92 115.26 111.11 3bza n ASN 49 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.53 3bza n ASN 49 Cb 0.23 0.75 -0.09 0.00 -0.61 0.00 0.00 39.78 40.05 3bza n ASN 49 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3bza s GLN 50 N -2.24 0.56 -0.07 3.52 -0.21 -1.24 -0.28 119.66 119.70 3bza s GLN 50 Ca -0.05 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.69 3bza s GLN 50 Cb 0.03 0.22 0.02 0.00 1.00 0.00 0.00 33.01 34.28 3bza s GLN 50 CO 0.38 -0.14 -0.11 0.42 -2.12 0.00 0.00 175.29 173.72 3bza s ILE 51 N -2.28 1.08 -0.19 1.08 1.01 -0.15 -1.21 121.20 120.53 3bza s ILE 51 Ca -0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 3bza s ILE 51 Cb -0.03 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3bza s ILE 51 CO -0.03 0.35 0.02 -0.31 0.00 0.00 0.00 174.94 174.97 3bza s TYR 52 N 0.87 3.11 0.05 3.97 2.02 0.62 -0.64 117.35 127.34 3bza s TYR 52 Ca -0.11 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 3bza s TYR 52 Cb -0.15 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 3bza s TYR 52 CO 0.01 -0.08 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.26 3bza s LEU 53 N 0.73 2.19 0.06 -1.29 1.43 0.30 -0.31 118.68 121.80 3bza s LEU 53 Ca 0.01 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3bza s LEU 53 Cb -0.14 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 3bza s LEU 53 CO 0.02 0.02 -0.04 0.00 0.23 0.00 0.00 176.35 176.57 3bza s ARG 54 N -1.26 0.66 0.75 1.70 1.70 0.19 0.12 118.95 122.81 3bza s ARG 54 Ca 0.01 -1.19 -0.08 0.00 -0.47 0.00 0.00 55.73 54.00 3bza s ARG 54 Cb -0.08 0.04 0.08 0.00 -0.57 0.00 0.00 34.95 34.41 3bza s ARG 54 CO 0.01 -0.07 1.08 -1.54 -1.08 0.00 0.00 175.30 173.70 3bza s SER 55 N -2.79 4.58 0.35 -2.89 1.04 -1.26 -1.32 113.70 111.41 3bza s SER 55 Ca 0.06 0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.98 3bza s SER 55 Cb 0.05 -1.02 0.63 0.00 0.10 0.00 0.00 66.02 65.77 3bza s SER 55 CO -0.07 -1.77 2.00 0.15 0.98 0.00 0.00 173.24 174.53 3bza h PHE 56 N -0.78 0.82 -0.41 5.02 3.57 -1.23 -2.87 116.94 121.05 3bza h PHE 56 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3bza h PHE 56 Cb 1.31 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3bza h PHE 56 CO 0.18 0.50 0.00 0.39 -2.23 0.00 0.00 178.31 177.15 3bza n GLU 57 N -4.44 2.44 -2.75 1.11 1.02 -0.59 -2.19 120.64 115.24 3bza n GLU 57 Ca 0.07 -2.24 -0.40 0.00 -0.02 0.00 0.00 57.16 54.58 3bza n GLU 57 Cb 0.07 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 3bza n GLU 57 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3bza s GLU 58 N -1.32 4.81 -0.01 3.49 2.56 -1.09 -4.76 118.70 122.39 3bza s GLU 58 Ca 0.37 1.47 0.10 0.00 0.00 0.00 0.00 54.97 56.91 3bza s GLU 58 Cb 0.21 -3.20 -0.14 0.00 2.00 0.00 0.00 34.13 32.99 3bza s GLU 58 CO 0.29 0.47 0.31 1.97 -0.56 0.00 0.00 175.26 177.75 3bza n PHE 59 N 1.34 0.00 -1.43 5.30 -1.74 -1.26 -4.25 117.46 115.42 3bza n PHE 59 Ca -0.01 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.58 3bza n PHE 59 Cb 0.47 -0.14 0.13 0.00 1.52 0.00 0.00 39.48 41.46 3bza n PHE 59 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 3bza s ILE 60 N -2.42 2.42 0.22 1.97 -4.36 -1.26 -1.12 121.20 116.65 3bza s ILE 60 Ca -0.01 0.14 -0.09 0.00 -0.26 0.00 0.00 60.65 60.43 3bza s ILE 60 Cb 0.07 -2.80 0.18 0.00 1.25 0.00 0.00 42.46 41.16 3bza s ILE 60 CO 0.43 -0.18 1.87 -0.74 0.24 0.00 0.00 174.94 176.56 3bza h HIS 61 N -1.46 0.94 -3.08 1.37 -0.00 -1.55 -3.42 115.15 107.96 3bza h HIS 61 Ca -0.50 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 59.86 3bza h HIS 61 Cb 1.31 -0.31 -0.13 0.00 -0.00 0.00 0.00 27.41 28.28 3bza h HIS 61 CO 0.36 0.54 0.09 -3.38 -0.00 0.00 0.00 177.93 175.55 3bza s HIS 62 N -6.11 -0.42 -0.55 5.26 0.00 -1.26 -4.69 115.29 107.52 3bza s HIS 62 Ca -0.13 0.22 0.10 0.00 -3.00 0.00 0.00 55.06 52.25 3bza s HIS 62 Cb 0.16 0.43 -0.09 0.00 -4.00 0.00 0.00 32.58 29.08 3bza s HIS 62 CO 0.78 -0.77 0.46 0.09 -1.00 0.00 0.00 174.74 174.30 3bza n ASN 63 N -0.20 0.60 -3.67 7.38 5.03 0.12 -4.61 115.26 119.90 3bza n ASN 63 Ca -0.17 -0.80 -0.09 0.00 0.87 0.00 0.00 54.58 54.39 3bza n ASN 63 Cb 0.64 0.91 -0.09 0.00 -1.02 0.00 0.00 39.78 40.22 3bza n ASN 63 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3bza s LEU 64 N -2.33 -0.42 -0.17 3.41 2.96 -0.69 -2.36 118.68 119.08 3bza s LEU 64 Ca 0.05 1.12 -0.00 0.00 -0.22 0.00 0.00 54.13 55.08 3bza s LEU 64 Cb 0.08 1.73 0.00 0.00 0.50 0.00 0.00 46.19 48.49 3bza s LEU 64 CO 0.38 -0.21 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.37 3bza s VAL 65 N 1.54 2.67 -0.26 1.68 1.01 0.02 -0.54 120.40 126.52 3bza s VAL 65 Ca -0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3bza s VAL 65 Cb -0.07 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3bza s VAL 65 CO -0.15 0.50 0.22 -0.76 0.00 0.00 0.00 175.10 174.91 3bza s LEU 66 N 1.01 4.06 -0.15 3.92 1.43 0.19 -0.76 118.68 128.38 3bza s LEU 66 Ca -0.02 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3bza s LEU 66 Cb -0.15 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.90 3bza s LEU 66 CO -0.03 -0.04 -0.20 -0.89 0.23 0.00 0.00 176.35 175.42 3bza s THR 67 N 1.57 2.20 0.23 5.49 2.01 -0.01 -0.98 115.64 126.16 3bza s THR 67 Ca 0.09 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 3bza s THR 67 Cb -0.15 -1.89 -0.10 0.00 0.01 0.00 0.00 72.50 70.36 3bza s THR 67 CO 0.09 0.54 1.50 -0.75 -0.69 0.00 0.00 174.62 175.30 3bza s LYS 68 N 0.84 4.23 0.26 4.92 2.20 0.61 -0.60 119.74 132.20 3bza s LYS 68 Ca -0.06 2.35 -0.19 0.00 -0.36 0.00 0.00 55.97 57.71 3bza s LYS 68 Cb -0.15 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.07 3bza s LYS 68 CO -0.02 -0.50 0.64 0.20 -0.36 0.00 0.00 175.35 175.31 3bza s GLY 69 N 0.60 0.01 0.22 5.54 0.00 -0.13 -4.83 107.32 108.73 3bza s GLY 69 Ca 0.63 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 45.02 3bza s GLY 69 CO 0.40 -0.20 1.51 -0.56 0.00 0.00 0.00 173.10 174.25 3bza h PRO 70 N 2.07 0.23 -4.18 2.90 0.13 -1.93 -3.37 132.00 127.84 3bza h PRO 70 Ca -0.22 -0.18 -0.51 0.00 -0.87 0.00 0.00 66.00 64.22 3bza h PRO 70 Cb 1.25 0.03 -0.37 0.00 0.13 0.00 0.00 31.00 32.05 3bza h PRO 70 CO 0.28 0.82 -0.80 0.08 -0.23 0.00 0.00 178.00 178.15 3bza s VAL 71 N -3.62 0.95 0.20 1.56 1.01 -1.26 -4.95 120.40 114.29 3bza s VAL 71 Ca -0.04 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 3bza s VAL 71 Cb 0.11 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 3bza s VAL 71 CO 0.81 0.35 1.57 0.00 0.00 0.00 0.00 175.10 177.83 3bza s ALA 72 N 1.67 3.77 -0.12 5.51 0.00 -1.26 -4.79 121.76 126.54 3bza s ALA 72 Ca 0.04 1.42 -0.32 0.00 0.00 0.00 0.00 51.96 53.09 3bza s ALA 72 Cb -0.13 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.50 3bza s ALA 72 CO -0.07 -0.81 1.07 0.00 0.00 0.00 0.00 175.76 175.94 3bza s ALA 73 N 0.80 -1.96 -0.09 0.00 0.00 -1.07 -4.47 121.76 114.97 3bza s ALA 73 Ca 0.68 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.73 3bza s ALA 73 Cb -0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3bza s ALA 73 CO 0.35 -0.58 1.37 -1.17 0.00 0.00 0.00 175.76 175.74 3bza s LEU 74 N -2.12 4.25 -0.09 0.00 2.96 0.22 -0.26 118.68 123.64 3bza s LEU 74 Ca 0.06 1.92 -0.08 0.00 -0.22 0.00 0.00 54.13 55.81 3bza s LEU 74 Cb -0.01 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.86 3bza s LEU 74 CO -0.06 -0.77 0.48 0.50 -1.32 0.00 0.00 176.35 175.18 3bza h LYS 75 N 8.35 0.31 -2.00 1.98 3.64 -1.16 0.48 116.57 128.17 3bza h LYS 75 Ca -0.33 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 58.49 3bza h LYS 75 Cb 1.14 0.20 -0.21 0.00 -0.41 0.00 0.00 32.23 32.95 3bza h LYS 75 CO 0.94 1.25 0.11 0.00 -2.27 0.00 0.00 179.45 179.48 3bza s ALA 76 N -2.57 -1.79 -0.33 5.00 0.00 -1.05 -4.75 121.76 116.28 3bza s ALA 76 Ca -0.20 2.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.73 3bza s ALA 76 Cb 0.06 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 3bza s ALA 76 CO 0.80 -0.35 0.20 -1.64 0.00 0.00 0.00 175.76 174.77 3bza s MET 77 N 0.57 3.43 -0.14 0.00 -1.94 -0.11 -0.31 119.30 120.80 3bza s MET 77 Ca -0.02 -0.67 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 3bza s MET 77 Cb -0.05 -3.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.06 3bza s MET 77 CO -0.02 -0.43 0.02 0.00 -0.01 0.00 0.00 175.02 174.58 3bza s ALA 78 N 1.67 3.27 -0.10 3.03 0.00 0.85 -0.82 121.76 129.66 3bza s ALA 78 Ca 0.05 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3bza s ALA 78 Cb -0.17 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 3bza s ALA 78 CO 0.09 0.36 -0.14 -0.06 0.00 0.00 0.00 175.76 176.00 3bza s PHE 79 N -0.15 2.75 0.15 0.00 0.08 -0.05 -0.76 117.98 120.01 3bza s PHE 79 Ca 0.05 -0.51 -0.27 0.00 0.12 0.00 0.00 56.93 56.33 3bza s PHE 79 Cb -0.12 -1.76 -0.07 0.00 -0.57 0.00 0.00 43.02 40.49 3bza s PHE 79 CO 0.02 -0.09 0.83 0.50 -0.10 0.00 0.00 175.22 176.37 3bza s ARG 80 N -0.01 4.63 0.31 0.44 3.52 -0.62 -2.72 118.95 124.50 3bza s ARG 80 Ca -0.04 1.25 0.07 0.00 -0.13 0.00 0.00 55.73 56.88 3bza s ARG 80 Cb -0.14 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3bza s ARG 80 CO 0.04 0.47 0.25 0.14 -0.81 0.00 0.00 175.30 175.39 3bza s VAL 81 N -0.83 3.84 0.24 7.11 -7.23 0.05 -0.34 120.40 123.23 3bza s VAL 81 Ca 0.39 -1.39 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3bza s VAL 81 Cb -0.23 -3.25 0.03 0.00 0.56 0.00 0.00 36.38 33.49 3bza s VAL 81 CO 0.27 -0.24 1.65 -0.09 -0.31 0.00 0.00 175.10 176.39 3bza h ARG 82 N 1.34 0.57 -4.15 4.82 2.43 -1.24 -3.42 114.38 114.74 3bza h ARG 82 Ca -0.46 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.35 3bza h ARG 82 Cb 1.25 -0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.63 3bza h ARG 82 CO 0.59 0.81 -0.62 0.95 -1.51 0.00 0.00 179.97 180.19 3bza s THR 83 N -4.42 0.20 0.40 0.20 -4.23 -1.26 -5.04 115.64 101.49 3bza s THR 83 Ca -0.08 -1.67 0.13 0.00 -1.18 0.00 0.00 61.69 58.90 3bza s THR 83 Cb 0.13 -1.46 0.35 0.00 1.34 0.00 0.00 72.50 72.86 3bza s THR 83 CO 0.81 -0.92 1.90 -0.65 -0.54 0.00 0.00 174.62 175.21 3bza h PRO 84 N 3.11 0.50 0.00 3.99 0.11 -1.96 -0.89 132.00 136.86 3bza h PRO 84 Ca -0.34 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 3bza h PRO 84 Cb 1.15 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3bza h PRO 84 CO 0.64 0.33 -0.10 0.93 -0.21 0.00 0.00 178.00 179.59 3bza h GLU 85 N 0.51 0.00 0.00 1.05 3.07 -1.99 -2.14 114.58 115.08 3bza h GLU 85 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3bza h GLU 85 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3bza h GLU 85 CO -0.15 0.10 0.00 -0.44 -1.40 0.00 0.00 179.01 177.12 3bza h ASP 86 N 0.00 0.00 -0.26 1.42 3.32 -1.55 -2.03 116.42 117.32 3bza h ASP 86 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3bza h ASP 86 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3bza h ASP 86 CO 0.01 0.00 -0.12 0.58 -1.72 0.00 0.00 179.24 177.99 3bza h VAL 87 N 0.00 1.30 -0.48 -1.35 2.07 -1.49 -0.31 116.25 115.98 3bza h VAL 87 Ca 0.00 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.33 3bza h VAL 87 Cb 0.38 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3bza h VAL 87 CO 0.00 0.38 0.30 0.44 0.02 0.00 0.00 177.57 178.70 3bza h ASP 88 N 0.28 0.49 -0.97 0.57 3.32 -1.63 -0.92 116.42 117.56 3bza h ASP 88 Ca 0.06 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.16 3bza h ASP 88 Cb 0.63 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 3bza h ASP 88 CO 0.04 0.35 0.62 0.11 -1.72 0.00 0.00 179.24 178.64 3bza h LYS 89 N 0.60 1.12 -0.66 3.56 1.57 -1.27 -1.15 116.57 120.33 3bza h LYS 89 Ca 0.19 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3bza h LYS 89 Cb -0.01 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 3bza h LYS 89 CO -0.07 0.74 0.21 0.00 -0.57 0.00 0.00 179.45 179.76 3bza h ALA 90 N 1.43 0.87 -0.23 3.86 0.00 -0.50 -1.40 119.26 123.29 3bza h ALA 90 Ca 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3bza h ALA 90 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3bza h ALA 90 CO -0.16 0.54 0.08 1.49 0.00 0.00 0.00 179.25 181.19 3bza h GLU 91 N 0.96 0.36 -0.76 0.00 4.81 -0.31 -1.79 114.58 117.85 3bza h GLU 91 Ca 0.21 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3bza h GLU 91 Cb 0.29 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 3bza h GLU 91 CO -0.01 0.44 0.37 0.00 -0.73 0.00 0.00 179.01 179.08 3bza h ALA 92 N 0.90 0.99 -0.07 2.92 0.00 -1.14 -0.99 119.26 121.87 3bza h ALA 92 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3bza h ALA 92 Cb 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3bza h ALA 92 CO -0.00 0.55 0.03 -0.92 0.00 0.00 0.00 179.25 178.91 3bza h TYR 93 N 1.08 0.11 -0.00 0.00 3.20 -1.03 -0.76 116.97 119.56 3bza h TYR 93 Ca 0.26 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 3bza h TYR 93 Cb 0.11 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3bza h TYR 93 CO 0.01 0.22 -0.58 1.88 -1.64 0.00 0.00 178.16 178.04 3bza h TYR 94 N -0.03 0.01 -0.41 -3.82 0.05 -1.21 -1.92 116.97 109.65 3bza h TYR 94 Ca 0.02 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 3bza h TYR 94 Cb 0.15 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3bza h TYR 94 CO -0.02 0.59 -0.21 1.96 -1.05 0.00 0.00 178.16 179.43 3bza h GLN 95 N 0.01 0.80 -0.41 4.88 1.08 -1.02 -0.63 115.11 119.81 3bza h GLN 95 Ca -0.01 -0.31 -0.05 0.00 -1.45 0.00 0.00 58.65 56.83 3bza h GLN 95 Cb 1.04 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 3bza h GLN 95 CO 0.08 0.93 0.05 1.49 -0.95 0.00 0.00 178.83 180.43 3bza h GLU 96 N 0.70 0.64 0.00 1.46 4.81 -0.85 -1.36 114.58 119.97 3bza h GLU 96 Ca 0.10 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3bza h GLU 96 Cb 0.72 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3bza h GLU 96 CO 0.06 0.62 0.00 1.28 -0.73 0.00 0.00 179.01 180.23 3bza n LEU 97 N -4.28 0.15 0.00 1.64 4.77 -0.75 -4.87 117.00 113.65 3bza n LEU 97 Ca 0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3bza n LEU 97 Cb 0.23 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3bza n LEU 97 CO 0.39 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 3bza n GLY 98 N -0.01 0.57 3.89 -0.72 0.00 -0.51 -5.01 105.19 103.40 3bza n GLY 98 Ca 0.03 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3bza n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bza s ARG 100 N -2.68 4.39 0.07 0.00 3.52 -1.26 -4.49 118.95 118.51 3bza s ARG 100 Ca 0.43 1.93 0.04 0.00 -0.13 0.00 0.00 55.73 58.00 3bza s ARG 100 Cb -0.12 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 3bza s ARG 100 CO 0.23 -0.30 -0.12 0.95 -0.81 0.00 0.00 175.30 175.26 3bza s THR 101 N 0.78 0.91 -0.03 4.11 -4.23 -1.26 -1.11 115.64 114.81 3bza s THR 101 Ca 0.60 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 3bza s THR 101 Cb -0.34 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.53 3bza s THR 101 CO 0.32 -0.34 -0.00 -0.70 -0.54 0.00 0.00 174.62 173.36 3bza s GLU 102 N -1.91 0.38 -0.15 3.99 2.12 0.10 -4.99 118.70 118.24 3bza s GLU 102 Ca -0.03 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 3bza s GLU 102 Cb -0.09 -0.56 -0.01 0.00 0.26 0.00 0.00 34.13 33.73 3bza s GLU 102 CO 0.01 -0.15 -0.11 0.50 -0.54 0.00 0.00 175.26 174.97 3bza s ARG 103 N 1.11 3.38 -0.20 4.30 6.06 -1.26 -0.82 118.95 131.53 3bza s ARG 103 Ca -0.08 -0.67 -0.01 0.00 -2.50 0.00 0.00 55.73 52.46 3bza s ARG 103 Cb -0.13 -2.70 0.06 0.00 0.06 0.00 0.00 34.95 32.23 3bza s ARG 103 CO -0.02 0.13 -0.01 1.03 -2.50 0.00 0.00 175.30 173.93 3bza s ARG 104 N 0.58 1.06 0.56 5.12 0.52 -0.24 -5.01 118.95 121.54 3bza s ARG 104 Ca -0.07 -0.58 0.33 0.00 -0.52 0.00 0.00 55.73 54.89 3bza s ARG 104 Cb -0.15 -2.18 1.67 0.00 0.52 0.00 0.00 34.95 34.80 3bza s ARG 104 CO 0.03 -0.58 2.12 1.57 0.02 0.00 0.00 175.30 178.46 3bza h LYS 105 N 8.14 0.00 -0.23 3.54 2.10 -1.89 -0.83 116.57 127.40 3bza h LYS 105 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 3bza h LYS 105 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3bza h LYS 105 CO 0.37 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.63 3bza n ASP 106 N -3.36 3.28 0.00 7.07 8.00 -1.26 -2.32 116.55 127.95 3bza n ASP 106 Ca -0.01 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.83 3bza n ASP 106 Cb 0.22 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3bza n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bza n GLY 107 N -0.33 -1.03 0.08 0.44 0.00 -0.80 -4.66 105.19 98.89 3bza n GLY 107 Ca 0.16 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.52 3bza n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bza n PHE 108 N -0.91 0.40 -4.29 1.61 3.72 -1.26 -4.92 117.46 111.81 3bza n PHE 108 Ca 0.00 0.14 -0.16 0.00 -0.05 0.00 0.00 57.45 57.38 3bza n PHE 108 Cb 0.00 -0.98 -0.10 0.00 -0.94 0.00 0.00 39.48 37.46 3bza n PHE 108 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3bza s VAL 109 N -2.76 1.26 0.56 -4.37 -7.23 -1.26 -5.13 120.40 101.47 3bza s VAL 109 Ca -0.07 -2.08 -0.20 0.00 -1.81 0.00 0.00 61.98 57.81 3bza s VAL 109 Cb 0.08 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3bza s VAL 109 CO 0.84 -0.63 1.28 -0.54 -0.31 0.00 0.00 175.10 175.74 3bza s LYS 110 N -3.75 3.08 0.00 4.82 1.02 -1.26 -2.88 119.74 120.77 3bza s LYS 110 Ca 0.20 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.23 3bza s LYS 110 Cb 0.03 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3bza s LYS 110 CO 0.03 -1.18 0.00 0.41 -0.92 0.00 0.00 175.35 173.70 3bza n GLY 111 N 0.67 0.62 3.26 -3.33 0.00 -1.26 -4.96 105.19 100.19 3bza n GLY 111 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3bza n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bza s ILE 112 N -2.65 2.01 0.00 -0.61 -1.09 -1.14 -1.40 121.20 116.33 3bza s ILE 112 Ca 0.00 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 3bza s ILE 112 Cb 0.00 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 3bza s ILE 112 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3bza n GLY 113 N 2.89 1.36 3.67 6.18 0.00 -0.13 -3.94 105.19 115.21 3bza n GLY 113 Ca -0.17 -1.37 -0.55 0.00 0.00 0.00 0.00 46.02 43.93 3bza n GLY 113 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bza n ASP 114 N 0.00 2.21 -3.87 1.61 2.03 -0.98 -2.17 116.55 115.38 3bza n ASP 114 Ca 0.00 1.08 -0.11 0.00 0.52 0.00 0.00 54.79 56.28 3bza n ASP 114 Cb 0.00 -1.18 -0.11 0.00 -0.72 0.00 0.00 41.12 39.11 3bza n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bza s ALA 115 N 2.50 -0.26 -0.14 -1.67 0.00 -0.38 -4.08 121.76 117.72 3bza s ALA 115 Ca 0.93 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.89 3bza s ALA 115 Cb -1.00 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 3bza s ALA 115 CO 0.58 -0.15 -0.17 -1.17 0.00 0.00 0.00 175.76 174.85 3bza s LEU 116 N -0.85 2.38 0.07 0.00 2.96 -0.48 -1.08 118.68 121.67 3bza s LEU 116 Ca -0.09 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 3bza s LEU 116 Cb -0.05 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 3bza s LEU 116 CO 0.01 0.10 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.94 3bza s ARG 117 N 0.71 2.36 0.03 1.98 0.52 0.00 -0.65 118.95 123.91 3bza s ARG 117 Ca -0.08 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3bza s ARG 117 Cb -0.16 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 3bza s ARG 117 CO 0.01 0.55 -0.04 0.14 0.02 0.00 0.00 175.30 175.98 3bza s VAL 118 N -1.16 0.17 -0.54 3.52 -7.23 -0.28 0.02 120.40 114.90 3bza s VAL 118 Ca 0.21 -1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 59.17 3bza s VAL 118 Cb -0.11 -0.40 0.07 0.00 0.56 0.00 0.00 36.38 36.49 3bza s VAL 118 CO 0.13 -0.53 0.71 -1.61 -0.31 0.00 0.00 175.10 173.49 3bza s GLU 119 N -1.68 3.13 0.99 4.82 2.02 -0.27 -2.15 118.70 125.55 3bza s GLU 119 Ca -0.13 -0.90 -0.14 0.00 0.02 0.00 0.00 54.97 53.82 3bza s GLU 119 Cb -0.08 -4.14 0.18 0.00 0.10 0.00 0.00 34.13 30.19 3bza s GLU 119 CO -0.02 -1.37 1.13 0.16 0.02 0.00 0.00 175.26 175.18 3bza s ASP 120 N 3.00 2.79 0.50 -0.19 -4.77 -0.08 -4.10 116.67 113.81 3bza s ASP 120 Ca 0.17 0.92 0.33 0.00 -3.30 0.00 0.00 52.55 50.68 3bza s ASP 120 Cb -0.19 -1.44 1.79 0.00 -1.09 0.00 0.00 42.92 41.99 3bza s ASP 120 CO 0.11 -3.00 2.02 -0.65 0.70 0.00 0.00 175.17 174.36 3bza h PRO 121 N -1.81 0.00 -0.15 2.11 0.11 -1.95 0.18 132.00 130.49 3bza h PRO 121 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3bza h PRO 121 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3bza h PRO 121 CO 0.55 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.62 3bza n LEU 122 N -2.69 2.67 0.00 2.35 4.77 -1.26 -4.96 117.00 117.88 3bza n LEU 122 Ca -0.02 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3bza n LEU 122 Cb 0.07 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3bza n LEU 122 CO 0.16 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3bza n GLY 123 N 1.33 0.62 3.85 -0.72 0.00 0.63 -4.27 105.19 106.63 3bza n GLY 123 Ca 0.17 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3bza n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bza s PHE 124 N -2.00 3.69 -0.71 1.61 0.08 -1.26 -4.73 117.98 114.67 3bza s PHE 124 Ca 0.00 0.85 -0.26 0.00 0.12 0.00 0.00 56.93 57.64 3bza s PHE 124 Cb 0.00 -2.18 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3bza s PHE 124 CO 0.00 0.67 1.22 -1.25 -0.10 0.00 0.00 175.22 175.76 3bza s PRO 125 N -1.07 3.21 0.11 0.24 0.04 -1.26 -0.90 135.00 135.37 3bza s PRO 125 Ca 0.21 -0.29 -0.11 0.00 0.04 0.00 0.00 61.00 60.86 3bza s PRO 125 Cb -0.15 -4.17 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 3bza s PRO 125 CO 0.11 -2.04 0.44 0.71 0.04 0.00 0.00 177.00 176.26 3bza s TYR 126 N 5.38 3.57 0.02 0.56 1.51 -0.91 -0.93 117.35 126.54 3bza s TYR 126 Ca 0.34 0.84 0.08 0.00 -1.01 0.00 0.00 57.07 57.32 3bza s TYR 126 Cb -0.09 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 3bza s TYR 126 CO 0.15 0.48 -0.24 -2.00 -1.11 0.00 0.00 175.55 172.83 3bza s GLU 127 N -2.03 1.98 -0.08 -0.62 2.12 0.00 -1.12 118.70 118.95 3bza s GLU 127 Ca 0.36 -1.01 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3bza s GLU 127 Cb -0.14 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.19 3bza s GLU 127 CO 0.19 0.54 -0.21 -0.06 -0.54 0.00 0.00 175.26 175.18 3bza s PHE 128 N -0.78 2.20 0.07 5.30 0.08 0.18 -0.87 117.98 124.17 3bza s PHE 128 Ca 0.12 -0.83 -0.11 0.00 0.12 0.00 0.00 56.93 56.23 3bza s PHE 128 Cb -0.10 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 3bza s PHE 128 CO 0.02 -0.33 0.24 -0.59 -0.10 0.00 0.00 175.22 174.46 3bza s PHE 129 N 0.31 0.02 -0.11 0.36 -0.71 -1.10 -1.39 117.98 115.35 3bza s PHE 129 Ca -0.14 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.38 3bza s PHE 129 Cb -0.16 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.62 3bza s PHE 129 CO 0.06 -0.52 -0.17 0.34 -1.34 0.00 0.00 175.22 173.60 3bza n PHE 130 N 0.29 0.00 -2.07 3.49 7.35 -1.26 -0.77 117.46 124.49 3bza n PHE 130 Ca -0.17 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.10 3bza n PHE 130 Cb 0.61 -0.42 -0.03 0.00 0.35 0.00 0.00 39.48 39.98 3bza n PHE 130 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3bza s GLU 131 N -2.28 4.28 -0.13 -4.13 2.02 -1.26 -4.91 118.70 112.29 3bza s GLU 131 Ca -0.17 2.20 -0.23 0.00 0.02 0.00 0.00 54.97 56.79 3bza s GLU 131 Cb 0.06 -3.20 0.06 0.00 0.10 0.00 0.00 34.13 31.15 3bza s GLU 131 CO 0.22 -0.50 0.57 -0.08 0.02 0.00 0.00 175.26 175.50 3bza s THR 132 N 1.01 0.01 -0.07 3.63 -1.32 -1.26 -0.96 115.64 116.69 3bza s THR 132 Ca 0.66 -0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.76 3bza s THR 132 Cb -0.40 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 3bza s THR 132 CO 0.32 -0.04 1.39 -0.89 -2.21 0.00 0.00 174.62 173.18 3bza s THR 133 N -0.43 3.92 0.41 5.08 2.01 -0.49 -4.85 115.64 121.29 3bza s THR 133 Ca -0.06 1.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.92 3bza s THR 133 Cb -0.03 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 3bza s THR 133 CO 0.04 -0.05 1.02 -1.00 -0.69 0.00 0.00 174.62 173.93 3bza s HIS 134 N 3.04 3.28 0.39 4.92 3.76 -1.26 -1.60 115.29 127.82 3bza s HIS 134 Ca 0.62 1.65 0.04 0.00 -0.15 0.00 0.00 55.06 57.21 3bza s HIS 134 Cb -0.28 -3.04 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 3bza s HIS 134 CO 0.23 -0.46 0.13 0.14 -0.85 0.00 0.00 174.74 173.93 3bza s VAL 135 N -1.80 0.63 -0.01 -0.90 -7.23 -0.28 -4.92 120.40 105.90 3bza s VAL 135 Ca 0.59 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 3bza s VAL 135 Cb -0.18 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.27 3bza s VAL 135 CO 0.23 0.00 1.74 -0.70 -0.31 0.00 0.00 175.10 176.06 3bza s GLU 136 N -3.74 4.17 -0.23 4.82 2.12 -1.26 -4.78 118.70 119.80 3bza s GLU 136 Ca 0.26 2.33 -0.29 0.00 0.36 0.00 0.00 54.97 57.63 3bza s GLU 136 Cb 0.03 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.46 3bza s GLU 136 CO 0.15 -0.85 1.16 0.50 -0.54 0.00 0.00 175.26 175.67 3bza s ARG 137 N 3.89 4.17 -0.11 4.30 3.52 -1.26 -4.86 118.95 128.60 3bza s ARG 137 Ca 0.77 1.39 0.10 0.00 -0.13 0.00 0.00 55.73 57.87 3bza s ARG 137 Cb -0.37 -3.73 0.48 0.00 -1.56 0.00 0.00 34.95 29.77 3bza s ARG 137 CO 0.33 -0.78 1.30 1.28 -0.81 0.00 0.00 175.30 176.62 3bza n LEU 138 N 6.70 3.54 0.31 -0.88 4.77 -1.06 -4.59 117.00 125.79 3bza n LEU 138 Ca 0.13 -1.79 0.19 0.00 -0.03 0.00 0.00 56.01 54.51 3bza n LEU 138 Cb 0.46 -0.53 1.00 0.00 -2.33 0.00 0.00 43.42 42.02 3bza n LEU 138 CO 0.56 0.52 1.11 1.12 -1.33 0.00 0.00 177.39 179.37 3bza h HIS 139 N 2.55 0.00 -0.12 -1.77 2.07 -1.74 -0.26 115.15 115.88 3bza h HIS 139 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3bza h HIS 139 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3bza h HIS 139 CO 0.58 0.02 0.00 -1.33 -3.07 0.00 0.00 177.93 174.13 3bza n MET 140 N -3.27 2.27 -1.88 5.12 2.81 -1.26 -4.83 117.12 116.08 3bza n MET 140 Ca -0.02 -2.40 -0.41 0.00 -1.81 0.00 0.00 57.70 53.06 3bza n MET 140 Cb 0.14 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 3bza n MET 140 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3bza n ARG 141 N -0.76 3.80 0.18 0.03 5.12 -0.11 -4.69 116.66 120.23 3bza n ARG 141 Ca 0.14 -3.02 0.13 0.00 -1.93 0.00 0.00 57.85 53.17 3bza n ARG 141 Cb 0.62 -2.87 0.60 0.00 -1.16 0.00 0.00 32.46 29.65 3bza n ARG 141 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3bza h TYR 142 N 5.26 0.00 0.00 -1.55 0.05 -1.88 0.12 116.97 118.97 3bza h TYR 142 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.42 3bza h TYR 142 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3bza h TYR 142 CO 1.55 0.00 0.00 0.38 -1.05 0.00 0.00 178.16 179.04 3bza h ASP 143 N 0.00 0.00 0.00 3.88 2.03 -1.98 -3.02 116.42 117.33 3bza h ASP 143 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3bza h ASP 143 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 3bza h ASP 143 CO 0.00 0.00 -0.94 0.18 -1.03 0.00 0.00 179.24 177.45 3bza n LEU 144 N -2.64 0.40 -4.67 0.15 4.77 0.38 -5.03 117.00 110.37 3bza n LEU 144 Ca -0.01 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.22 3bza n LEU 144 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3bza n LEU 144 CO 0.18 0.10 1.58 -0.47 -1.33 0.00 0.00 177.39 177.45 3bza s TYR 145 N -2.44 1.49 0.36 -1.77 5.04 -1.07 -4.99 117.35 113.98 3bza s TYR 145 Ca 0.02 -0.37 -0.16 0.00 -2.44 0.00 0.00 57.07 54.12 3bza s TYR 145 Cb 0.09 -4.24 -0.09 0.00 0.35 0.00 0.00 41.96 38.07 3bza s TYR 145 CO 0.53 -5.45 0.80 0.45 -1.34 0.00 0.00 175.55 170.53 3bza s SER 146 N 4.00 6.78 0.57 4.32 0.15 -1.26 -4.97 113.70 123.30 3bza s SER 146 Ca 0.87 1.37 0.34 0.00 0.70 0.00 0.00 55.95 59.23 3bza s SER 146 Cb -0.44 -2.41 1.88 0.00 -1.71 0.00 0.00 66.02 63.34 3bza s SER 146 CO 0.40 -0.27 2.05 0.00 1.20 0.00 0.00 173.24 176.62 3bza h ALA 147 N 2.05 1.09 -0.19 5.45 0.00 -1.97 -1.81 119.26 123.88 3bza h ALA 147 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3bza h ALA 147 Cb 1.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3bza h ALA 147 CO 0.64 -0.09 -0.16 0.41 0.00 0.00 0.00 179.25 180.05 3bza n GLY 148 N -1.17 4.83 3.65 0.00 0.00 -1.26 -4.36 105.19 106.88 3bza n GLY 148 Ca -0.02 -1.21 -0.50 0.00 0.00 0.00 0.00 46.02 44.29 3bza n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bza n GLU 149 N -1.08 1.71 -3.01 1.61 4.07 -0.68 -4.91 120.64 118.35 3bza n GLU 149 Ca 0.25 0.62 -0.41 0.00 -0.06 0.00 0.00 57.16 57.56 3bza n GLU 149 Cb 0.86 -2.35 -0.05 0.00 -0.06 0.00 0.00 31.44 29.84 3bza n GLU 149 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3bza s LEU 150 N 1.76 4.09 -0.16 4.31 1.43 -1.26 -4.50 118.68 124.35 3bza s LEU 150 Ca 0.86 0.89 0.15 0.00 -1.03 0.00 0.00 54.13 55.00 3bza s LEU 150 Cb -0.82 -3.02 -0.21 0.00 0.03 0.00 0.00 46.19 42.18 3bza s LEU 150 CO 0.47 -0.41 0.07 1.33 0.23 0.00 0.00 176.35 178.04 3bza n VAL 151 N 5.09 1.09 -3.79 -1.59 0.24 -0.17 -1.26 118.33 117.95 3bza n VAL 151 Ca 0.02 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.34 61.52 3bza n VAL 151 Cb 0.49 -0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 32.23 3bza n VAL 151 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3bza s ARG 152 N -2.42 0.73 0.05 7.34 0.52 -1.25 -1.54 118.95 122.37 3bza s ARG 152 Ca -0.08 -0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 3bza s ARG 152 Cb 0.05 0.31 -0.05 0.00 0.52 0.00 0.00 34.95 35.79 3bza s ARG 152 CO 0.68 -0.22 1.05 -1.17 0.02 0.00 0.00 175.30 175.65 3bza s LEU 153 N -1.89 4.40 -0.19 2.53 2.96 -1.26 -0.13 118.68 125.10 3bza s LEU 153 Ca -0.07 1.82 -0.06 0.00 -0.22 0.00 0.00 54.13 55.59 3bza s LEU 153 Cb -0.02 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 3bza s LEU 153 CO -0.02 -0.28 -0.22 -0.67 -1.32 0.00 0.00 176.35 173.84 3bza n ASP 154 N 3.56 1.71 -3.78 3.68 2.03 0.10 -4.85 116.55 119.01 3bza n ASP 154 Ca 0.06 0.14 -0.05 0.00 0.52 0.00 0.00 54.79 55.46 3bza n ASP 154 Cb 0.49 -0.48 -0.02 0.00 -0.72 0.00 0.00 41.12 40.39 3bza n ASP 154 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3bza s HIS 155 N -2.35 -0.16 0.29 -0.67 -3.43 -1.14 -4.48 115.29 103.34 3bza s HIS 155 Ca -0.26 -0.19 0.09 0.00 -0.80 0.00 0.00 55.06 53.90 3bza s HIS 155 Cb 0.09 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.86 3bza s HIS 155 CO 0.36 -0.97 0.09 -0.06 -2.00 0.00 0.00 174.74 172.16 3bza s PHE 156 N -3.51 2.80 -0.04 0.38 0.08 -0.54 -0.67 117.98 116.47 3bza s PHE 156 Ca 0.11 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.92 3bza s PHE 156 Cb -0.03 -1.38 0.03 0.00 -0.57 0.00 0.00 43.02 41.06 3bza s PHE 156 CO 0.03 0.50 0.00 1.21 -0.10 0.00 0.00 175.22 176.87 3bza s ASN 157 N -3.77 0.71 -0.08 1.36 3.84 -0.31 -2.43 114.94 114.26 3bza s ASN 157 Ca 0.34 -0.04 0.01 0.00 0.21 0.00 0.00 52.86 53.38 3bza s ASN 157 Cb -0.06 -0.27 -0.03 0.00 -0.55 0.00 0.00 41.25 40.35 3bza s ASN 157 CO 0.22 -0.12 -0.10 -1.10 -2.79 0.00 0.00 177.10 173.21 3bza s GLN 158 N 1.24 2.84 -0.21 0.43 -0.21 0.15 -0.05 119.66 123.84 3bza s GLN 158 Ca -0.07 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.56 3bza s GLN 158 Cb -0.13 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 3bza s GLN 158 CO -0.02 0.55 0.32 0.08 -2.12 0.00 0.00 175.29 174.10 3bza s VAL 159 N -0.52 5.26 -0.02 1.09 1.01 0.95 -0.03 120.40 128.13 3bza s VAL 159 Ca 0.07 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 3bza s VAL 159 Cb -0.12 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3bza s VAL 159 CO 0.02 0.29 0.11 0.28 0.00 0.00 0.00 175.10 175.79 3bza s THR 160 N 1.17 0.04 0.22 3.92 -1.32 -0.34 -2.47 115.64 116.85 3bza s THR 160 Ca 0.15 -0.31 0.18 0.00 -1.21 0.00 0.00 61.69 60.51 3bza s THR 160 Cb -0.14 -0.26 0.13 0.00 -1.51 0.00 0.00 72.50 70.72 3bza s THR 160 CO 0.07 -0.17 1.76 1.55 -2.21 0.00 0.00 174.62 175.62 3bza h PRO 161 N 5.32 0.00 -3.85 7.08 0.13 -1.48 -1.83 132.00 137.38 3bza h PRO 161 Ca -0.27 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.23 3bza h PRO 161 Cb 1.20 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 3bza h PRO 161 CO 0.42 0.37 -0.72 0.34 -0.23 0.00 0.00 178.00 178.18 3bza s ASP 162 N -6.49 4.29 0.02 1.44 -1.08 -1.26 -4.58 116.67 109.01 3bza s ASP 162 Ca -0.01 -2.24 -0.22 0.00 -0.52 0.00 0.00 52.55 49.57 3bza s ASP 162 Cb 0.12 -1.31 -0.16 0.00 -1.46 0.00 0.00 42.92 40.11 3bza s ASP 162 CO 0.69 -0.34 1.32 0.58 0.52 0.00 0.00 175.17 177.93 3bza h VAL 163 N 6.14 1.36 -0.99 1.11 2.07 -1.83 -2.61 116.25 121.51 3bza h VAL 163 Ca -0.07 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.25 3bza h VAL 163 Cb 0.98 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 3bza h VAL 163 CO 0.53 0.37 0.63 -0.65 0.02 0.00 0.00 177.57 178.47 3bza h PRO 164 N -0.13 1.07 -0.22 1.57 0.11 -1.95 0.28 132.00 132.73 3bza h PRO 164 Ca 0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3bza h PRO 164 Cb 0.64 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3bza h PRO 164 CO 0.03 0.70 0.14 -0.09 -0.21 0.00 0.00 178.00 178.57 3bza h ARG 165 N 1.10 0.28 -0.44 1.05 2.43 -1.99 -1.74 114.38 115.06 3bza h ARG 165 Ca 0.45 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.51 3bza h ARG 165 Cb 0.28 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3bza h ARG 165 CO -0.21 0.18 -0.09 0.78 -1.51 0.00 0.00 179.97 179.13 3bza h GLY 166 N 0.29 0.85 0.98 2.80 0.00 -0.99 -3.04 103.07 103.96 3bza h GLY 166 Ca 0.08 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3bza h GLY 166 CO -0.02 0.58 0.23 -0.09 0.00 0.00 0.00 176.54 177.24 3bza h ARG 167 N 0.72 0.55 -0.38 4.80 2.43 -0.19 -1.34 114.38 120.96 3bza h ARG 167 Ca 0.12 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3bza h ARG 167 Cb 0.57 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3bza h ARG 167 CO 0.04 0.43 0.19 -0.22 -1.51 0.00 0.00 179.97 178.90 3bza h LYS 168 N 0.52 0.39 -0.52 0.20 3.11 -1.30 0.24 116.57 119.21 3bza h LYS 168 Ca 0.14 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.98 3bza h LYS 168 Cb 0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.14 3bza h LYS 168 CO -0.02 0.25 0.32 -0.92 -2.81 0.00 0.00 179.45 176.27 3bza h TYR 169 N 0.40 0.59 -0.24 1.91 3.20 -1.40 -1.00 116.97 120.43 3bza h TYR 169 Ca 0.16 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 3bza h TYR 169 Cb 0.06 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3bza h TYR 169 CO -0.10 0.35 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.36 3bza h LEU 170 N 0.63 0.53 -0.44 2.82 3.38 -0.93 -1.97 115.31 119.34 3bza h LEU 170 Ca 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3bza h LEU 170 Cb 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3bza h LEU 170 CO -0.08 0.83 0.13 -0.33 0.09 0.00 0.00 178.44 179.07 3bza h GLU 171 N 0.43 0.69 -0.21 1.13 5.08 -0.60 -1.03 114.58 120.07 3bza h GLU 171 Ca 0.05 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3bza h GLU 171 Cb 0.80 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3bza h GLU 171 CO 0.07 0.68 0.11 -0.44 -1.00 0.00 0.00 179.01 178.42 3bza h ASP 172 N 0.57 0.25 0.80 1.42 3.32 -1.00 -0.35 116.42 121.43 3bza h ASP 172 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3bza h ASP 172 Cb 0.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3bza h ASP 172 CO -0.00 0.21 0.00 -0.11 -1.72 0.00 0.00 179.24 177.62 3bza n LEU 173 N -4.48 0.20 0.00 1.55 0.00 -0.76 -4.79 117.00 108.73 3bza n LEU 173 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 56.01 56.55 3bza n LEU 173 Cb 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 43.42 43.03 3bza n LEU 173 CO 0.35 -0.22 0.00 0.61 0.00 0.00 0.00 177.39 178.13 3bza n GLY 174 N 0.61 0.75 3.77 -3.96 0.00 -0.14 -4.77 105.19 101.45 3bza n GLY 174 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3bza n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bza s PHE 175 N -2.00 3.10 -0.13 1.61 0.08 -0.44 -4.84 117.98 115.36 3bza s PHE 175 Ca 0.00 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.64 3bza s PHE 175 Cb 0.00 -3.29 -0.01 0.00 -0.57 0.00 0.00 43.02 39.15 3bza s PHE 175 CO 0.00 -1.10 -0.15 1.03 -0.10 0.00 0.00 175.22 174.90 3bza s ARG 176 N -2.47 3.32 0.09 0.44 1.81 -0.50 -4.05 118.95 117.59 3bza s ARG 176 Ca 0.59 -0.72 -0.31 0.00 -1.72 0.00 0.00 55.73 53.57 3bza s ARG 176 Cb -0.27 -2.60 -0.07 0.00 -0.45 0.00 0.00 34.95 31.56 3bza s ARG 176 CO 0.33 0.17 1.27 0.08 -0.68 0.00 0.00 175.30 176.47 3bza s VAL 177 N 0.45 3.73 -0.17 3.52 1.01 -1.26 -1.45 120.40 126.23 3bza s VAL 177 Ca -0.11 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.16 3bza s VAL 177 Cb -0.16 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 3bza s VAL 177 CO 0.05 0.10 -0.13 0.35 0.00 0.00 0.00 175.10 175.48 3bza n THR 178 N 3.83 1.00 -3.90 3.92 -2.24 -0.21 -4.72 114.28 111.95 3bza n THR 178 Ca 0.10 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 3bza n THR 178 Cb 0.45 -1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 67.53 3bza n THR 178 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bza s GLU 179 N -2.35 0.63 0.24 -0.78 2.02 -1.24 -1.43 118.70 115.79 3bza s GLU 179 Ca -0.21 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 53.94 3bza s GLU 179 Cb 0.06 0.25 -0.01 0.00 0.10 0.00 0.00 34.13 34.53 3bza s GLU 179 CO 0.43 -0.17 0.41 0.16 0.02 0.00 0.00 175.26 176.12 3bza s ASP 180 N -2.16 -0.05 -0.12 -0.19 1.47 0.08 -1.28 116.67 114.42 3bza s ASP 180 Ca -0.04 -1.01 0.02 0.00 1.18 0.00 0.00 52.55 52.70 3bza s ASP 180 Cb -0.01 0.55 0.01 0.00 -0.34 0.00 0.00 42.92 43.13 3bza s ASP 180 CO -0.05 -1.08 -0.18 -0.63 0.68 0.00 0.00 175.17 173.91 3bza s ILE 181 N -4.04 1.70 0.22 2.11 1.01 -0.59 -1.04 121.20 120.57 3bza s ILE 181 Ca 0.25 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3bza s ILE 181 Cb 0.01 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3bza s ILE 181 CO 0.09 0.48 0.11 -1.10 0.00 0.00 0.00 174.94 174.52 3bza s GLN 182 N 0.91 1.27 0.26 2.79 -0.21 -0.56 -0.52 119.66 123.61 3bza s GLN 182 Ca -0.07 -1.68 0.01 0.00 0.02 0.00 0.00 55.36 53.65 3bza s GLN 182 Cb -0.15 0.03 0.01 0.00 1.00 0.00 0.00 33.01 33.90 3bza s GLN 182 CO -0.01 -0.34 0.09 -0.40 -2.12 0.00 0.00 175.29 172.51 3bza n ASP 183 N -0.34 2.33 -0.40 5.90 5.68 -0.53 -0.89 116.55 128.29 3bza n ASP 183 Ca 0.01 -2.04 0.05 0.00 -0.50 0.00 0.00 54.79 52.31 3bza n ASP 183 Cb 0.66 0.09 0.16 0.00 -1.14 0.00 0.00 41.12 40.89 3bza n ASP 183 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3bza n ASP 184 N -1.50 1.16 -0.21 -1.12 5.75 -1.26 -3.57 116.55 115.80 3bza n ASP 184 Ca -0.06 -1.93 0.04 0.00 -0.01 0.00 0.00 54.79 52.82 3bza n ASP 184 Cb 0.32 -0.13 0.08 0.00 -1.03 0.00 0.00 41.12 40.35 3bza n ASP 184 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bza n GLU 185 N 0.10 2.67 -0.42 0.11 1.02 -1.26 -4.98 120.64 117.88 3bza n GLU 185 Ca 0.09 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.33 3bza n GLU 185 Cb 0.19 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3bza n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bza n GLY 186 N -0.45 0.78 3.76 0.62 0.00 -1.23 -5.05 105.19 103.62 3bza n GLY 186 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3bza n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bza s THR 187 N -2.10 5.22 -0.19 2.61 2.01 -1.26 -4.95 115.64 116.97 3bza s THR 187 Ca 0.00 0.71 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 3bza s THR 187 Cb 0.00 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3bza s THR 187 CO 0.00 0.43 0.11 -0.89 -0.69 0.00 0.00 174.62 173.59 3bza s THR 188 N 0.04 5.27 -0.06 -0.82 2.01 -1.26 -1.46 115.64 119.36 3bza s THR 188 Ca 0.21 0.14 0.16 0.00 0.31 0.00 0.00 61.69 62.51 3bza s THR 188 Cb -0.14 -3.40 -0.25 0.00 0.01 0.00 0.00 72.50 68.72 3bza s THR 188 CO 0.08 0.45 0.29 -1.22 -0.69 0.00 0.00 174.62 173.53 3bza n TYR 189 N 3.47 0.00 -3.56 4.92 4.01 0.32 -4.66 117.16 121.67 3bza n TYR 189 Ca -0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 3bza n TYR 189 Cb 0.52 -0.50 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 3bza n TYR 189 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bza s ALA 190 N -2.98 -1.90 -0.03 -0.72 0.00 -1.19 -0.91 121.76 114.02 3bza s ALA 190 Ca -0.07 1.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 3bza s ALA 190 Cb 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3bza s ALA 190 CO 0.70 -0.42 0.16 0.00 0.00 0.00 0.00 175.76 176.21 3bza s ALA 191 N -1.68 -0.40 -0.05 0.00 0.00 -0.35 -1.55 121.76 117.73 3bza s ALA 191 Ca -0.00 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.23 3bza s ALA 191 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3bza s ALA 191 CO -0.01 -0.15 -0.22 -1.58 0.00 0.00 0.00 175.76 173.80 3bza s TRP 192 N -0.61 2.49 -0.07 0.00 0.51 -0.40 -0.00 118.94 120.85 3bza s TRP 192 Ca -0.07 -0.50 -0.12 0.00 -2.12 0.00 0.00 56.10 53.29 3bza s TRP 192 Cb -0.04 -1.59 0.02 0.00 -0.81 0.00 0.00 33.47 31.05 3bza s TRP 192 CO 0.01 -0.07 0.29 0.00 -0.51 0.00 0.00 176.95 176.67 3bza s MET 193 N -0.40 0.48 0.16 4.98 0.23 -0.64 -1.05 119.30 123.06 3bza s MET 193 Ca 0.04 0.11 0.05 0.00 -1.03 0.00 0.00 55.69 54.87 3bza s MET 193 Cb -0.12 0.22 -0.04 0.00 -1.53 0.00 0.00 34.83 33.36 3bza s MET 193 CO 0.02 -0.10 -0.12 -3.38 -2.03 0.00 0.00 175.02 169.41 3bza s HIS 194 N -0.54 1.39 -0.04 3.16 -3.43 -0.53 -0.94 115.29 114.36 3bza s HIS 194 Ca -0.06 -0.70 -0.00 0.00 -0.80 0.00 0.00 55.06 53.50 3bza s HIS 194 Cb -0.04 -0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 30.40 3bza s HIS 194 CO 0.02 0.16 -0.04 0.54 -2.00 0.00 0.00 174.74 173.42 3bza n ARG 195 N -0.19 0.10 0.00 -0.38 5.12 -1.26 -1.41 116.66 118.64 3bza n ARG 195 Ca -0.10 0.03 0.15 0.00 -1.93 0.00 0.00 57.85 56.00 3bza n ARG 195 Cb 0.60 -0.98 0.79 0.00 -1.16 0.00 0.00 32.46 31.71 3bza n ARG 195 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3bza n LYS 196 N -2.76 1.24 -0.36 5.56 2.85 -1.22 -4.90 118.16 118.57 3bza n LYS 196 Ca -0.08 -0.35 0.00 0.00 -1.05 0.00 0.00 58.31 56.83 3bza n LYS 196 Cb 0.57 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 3bza n LYS 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bza n GLY 197 N 1.07 0.80 1.87 2.58 0.00 -1.26 -4.92 105.19 105.32 3bza n GLY 197 Ca 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3bza n GLY 197 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bza n THR 198 N -2.36 0.00 -0.13 2.61 -2.24 -1.26 -1.46 114.28 109.43 3bza n THR 198 Ca 0.00 -0.98 -0.02 0.00 -2.27 0.00 0.00 64.05 60.79 3bza n THR 198 Cb 0.00 -0.60 0.22 0.00 -2.10 0.00 0.00 70.33 67.86 3bza n THR 198 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3bza h VAL 199 N 0.23 1.21 -2.99 2.28 2.07 -1.95 -3.41 116.25 113.69 3bza h VAL 199 Ca -0.14 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3bza h VAL 199 Cb 0.61 0.55 -0.13 0.00 -1.52 0.00 0.00 31.29 30.79 3bza h VAL 199 CO 0.21 0.26 0.11 -1.38 0.02 0.00 0.00 177.57 176.80 3bza s HIS 200 N -5.35 -0.45 -0.08 1.57 0.00 -1.26 -4.06 115.29 105.66 3bza s HIS 200 Ca -0.10 0.30 0.07 0.00 -3.00 0.00 0.00 55.06 52.33 3bza s HIS 200 Cb 0.16 0.44 -0.10 0.00 -4.00 0.00 0.00 32.58 29.09 3bza s HIS 200 CO 0.79 -0.76 0.02 -0.25 -1.00 0.00 0.00 174.74 173.54 3bza n ASP 201 N -0.13 3.02 -3.82 7.38 8.00 -0.12 -4.57 116.55 126.31 3bza n ASP 201 Ca -0.17 -0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 3bza n ASP 201 Cb 0.63 0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 42.32 3bza n ASP 201 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3bza s THR 202 N -2.20 0.00 0.08 -3.53 -1.32 -1.02 -1.47 115.64 106.19 3bza s THR 202 Ca -0.04 -1.85 -0.17 0.00 -1.21 0.00 0.00 61.69 58.42 3bza s THR 202 Cb 0.02 -2.48 0.04 0.00 -1.51 0.00 0.00 72.50 68.57 3bza s THR 202 CO 0.33 0.00 0.41 0.00 -2.21 0.00 0.00 174.62 173.15 3bza s ALA 203 N -3.79 -0.99 -0.13 11.08 0.00 -1.02 -1.62 121.76 125.29 3bza s ALA 203 Ca 0.36 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.48 3bza s ALA 203 Cb 0.04 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 3bza s ALA 203 CO 0.17 -0.55 -0.16 -0.51 0.00 0.00 0.00 175.76 174.70 3bza s LEU 204 N -2.40 2.52 -0.17 0.00 1.43 1.00 -0.68 118.68 120.38 3bza s LEU 204 Ca -0.01 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3bza s LEU 204 Cb 0.01 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 3bza s LEU 204 CO -0.07 0.15 -0.14 -0.89 0.23 0.00 0.00 176.35 175.63 3bza s THR 205 N 0.42 2.70 0.20 5.49 2.01 0.95 -1.21 115.64 126.19 3bza s THR 205 Ca -0.12 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 60.82 3bza s THR 205 Cb -0.16 -2.15 -0.10 0.00 0.01 0.00 0.00 72.50 70.10 3bza s THR 205 CO 0.06 0.51 1.47 -0.83 -0.69 0.00 0.00 174.62 175.13 3bza s GLY 206 N 0.94 2.03 0.00 4.40 0.00 -0.09 -1.20 107.32 113.41 3bza s GLY 206 Ca -0.03 1.30 0.00 0.00 0.00 0.00 0.00 44.72 45.99 3bza s GLY 206 CO -0.02 2.39 0.00 0.61 0.00 0.00 0.00 173.10 176.08 3bza n GLY 207 N 2.90 0.09 3.72 0.20 0.00 -0.69 -4.81 105.19 106.59 3bza n GLY 207 Ca 0.10 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 3bza n GLY 207 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bza n ASN 208 N 0.00 3.35 -3.35 1.61 3.02 -1.26 -1.34 115.26 117.28 3bza n ASN 208 Ca 0.00 1.16 -0.06 0.00 -0.03 0.00 0.00 54.58 55.64 3bza n ASN 208 Cb 0.00 -1.52 0.01 0.00 -0.61 0.00 0.00 39.78 37.65 3bza n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3bza s GLY 209 N 0.31 0.12 0.09 7.41 0.00 -0.50 -4.38 107.32 110.37 3bza s GLY 209 Ca 0.64 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 3bza s GLY 209 CO 0.51 0.41 1.14 2.56 0.00 0.00 0.00 173.10 177.72 3bza s PRO 210 N -2.77 4.50 0.03 2.90 0.04 -1.26 0.49 135.00 138.93 3bza s PRO 210 Ca 0.15 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 3bza s PRO 210 Cb -0.04 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 3bza s PRO 210 CO 0.08 -0.13 -0.01 1.03 0.04 0.00 0.00 177.00 178.00 3bza s ARG 211 N 0.60 0.43 -0.22 4.56 0.52 -1.03 -4.28 118.95 119.54 3bza s ARG 211 Ca 0.55 -0.80 -0.21 0.00 -0.52 0.00 0.00 55.73 54.75 3bza s ARG 211 Cb -0.28 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.32 3bza s ARG 211 CO 0.31 -0.08 0.65 -1.17 0.02 0.00 0.00 175.30 175.03 3bza s LEU 212 N -1.96 4.11 -0.06 2.53 2.96 0.18 -0.04 118.68 126.40 3bza s LEU 212 Ca -0.08 0.82 -0.20 0.00 -0.22 0.00 0.00 54.13 54.45 3bza s LEU 212 Cb -0.04 -2.92 -0.15 0.00 0.50 0.00 0.00 46.19 43.59 3bza s LEU 212 CO -0.04 -0.33 0.78 -0.74 -1.32 0.00 0.00 176.35 174.70 3bza h HIS 213 N 7.63 -0.19 -2.59 5.38 -0.00 -0.77 0.18 115.15 124.79 3bza h HIS 213 Ca -0.29 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.20 3bza h HIS 213 Cb 1.13 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 28.53 3bza h HIS 213 CO 0.73 0.23 0.39 -3.38 -0.00 0.00 0.00 177.93 175.90 3bza s HIS 214 N -3.19 -0.19 -0.06 5.26 0.00 -0.98 -4.24 115.29 111.89 3bza s HIS 214 Ca -0.12 -0.15 0.04 0.00 -3.00 0.00 0.00 55.06 51.83 3bza s HIS 214 Cb 0.00 0.65 -0.02 0.00 -4.00 0.00 0.00 32.58 29.21 3bza s HIS 214 CO 0.44 -0.94 -0.16 0.08 -1.00 0.00 0.00 174.74 173.15 3bza s VAL 215 N -3.51 2.88 -0.06 -5.38 1.01 -1.01 -1.16 120.40 113.18 3bza s VAL 215 Ca 0.11 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3bza s VAL 215 Cb -0.03 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3bza s VAL 215 CO 0.02 0.58 -0.21 0.00 0.00 0.00 0.00 175.10 175.49 3bza s ALA 216 N -0.56 2.35 0.12 5.51 0.00 0.15 -0.90 121.76 128.43 3bza s ALA 216 Ca 0.08 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.11 3bza s ALA 216 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3bza s ALA 216 CO 0.01 0.45 -0.23 -0.06 0.00 0.00 0.00 175.76 175.93 3bza s PHE 217 N -0.32 2.41 0.42 0.00 0.08 -0.29 0.03 117.98 120.32 3bza s PHE 217 Ca 0.02 -0.33 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 3bza s PHE 217 Cb -0.13 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 3bza s PHE 217 CO 0.02 0.34 0.69 -1.12 -0.10 0.00 0.00 175.22 175.06 3bza s SER 218 N -2.02 6.29 0.41 1.36 0.01 0.82 -1.12 113.70 119.45 3bza s SER 218 Ca 0.15 0.75 0.05 0.00 1.31 0.00 0.00 55.95 58.21 3bza s SER 218 Cb -0.10 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 3bza s SER 218 CO 0.07 -0.45 0.03 0.42 0.41 0.00 0.00 173.24 173.72 3bza s THR 219 N -2.55 1.47 -0.04 1.44 -4.23 -0.78 -1.00 115.64 109.95 3bza s THR 219 Ca 0.45 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.72 3bza s THR 219 Cb -0.10 -2.69 -0.24 0.00 1.34 0.00 0.00 72.50 70.81 3bza s THR 219 CO 0.41 0.00 1.03 0.45 -0.54 0.00 0.00 174.62 175.97 3bza h HIS 220 N 1.76 0.31 -3.37 3.99 3.86 -1.91 -3.44 115.15 116.35 3bza h HIS 220 Ca -0.42 -0.17 -0.36 0.00 -1.16 0.00 0.00 60.37 58.26 3bza h HIS 220 Cb 1.26 -0.03 -0.14 0.00 1.06 0.00 0.00 27.41 29.55 3bza h HIS 220 CO 0.95 0.98 -0.67 -1.21 0.86 0.00 0.00 177.93 178.83 3bza s GLU 221 N -3.11 1.24 0.24 2.45 2.02 -1.26 -4.85 118.70 115.43 3bza s GLU 221 Ca -0.15 -1.60 -0.04 0.00 0.02 0.00 0.00 54.97 53.20 3bza s GLU 221 Cb 0.01 -0.59 0.27 0.00 0.10 0.00 0.00 34.13 33.92 3bza s GLU 221 CO 0.75 -0.05 1.76 0.87 0.02 0.00 0.00 175.26 178.62 3bza h LYS 222 N 2.58 0.94 -0.03 1.61 1.57 -1.96 -2.22 116.57 119.06 3bza h LYS 222 Ca -0.38 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.19 3bza h LYS 222 Cb 1.21 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3bza h LYS 222 CO 0.64 0.86 0.05 1.12 -0.57 0.00 0.00 179.45 181.55 3bza h HIS 223 N 0.89 0.00 -0.25 -1.35 2.07 -1.96 -1.00 115.15 113.55 3bza h HIS 223 Ca 0.18 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.59 3bza h HIS 223 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 3bza h HIS 223 CO 0.02 0.00 -0.34 -0.91 -3.07 0.00 0.00 177.93 173.64 3bza h ASN 224 N 0.00 0.56 -0.24 3.10 4.21 -1.59 -1.24 115.58 120.38 3bza h ASN 224 Ca 0.02 -0.23 -0.17 0.00 1.21 0.00 0.00 56.30 57.13 3bza h ASN 224 Cb 0.11 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 3bza h ASN 224 CO -0.00 0.86 -0.53 0.40 -1.29 0.00 0.00 177.43 176.87 3bza h ILE 225 N 0.46 1.29 -0.71 2.81 2.04 -1.27 -2.77 117.51 119.36 3bza h ILE 225 Ca 0.05 -1.73 0.05 0.00 1.00 0.00 0.00 64.86 64.24 3bza h ILE 225 Cb 0.81 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 3bza h ILE 225 CO 0.07 0.55 0.41 0.40 0.00 0.00 0.00 178.15 179.58 3bza h ILE 226 N 0.53 1.01 -0.91 -0.67 2.04 -1.32 -2.41 117.51 115.78 3bza h ILE 226 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3bza h ILE 226 Cb 1.14 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3bza h ILE 226 CO 0.12 0.14 0.59 -0.61 0.00 0.00 0.00 178.15 178.38 3bza h GLN 227 N 0.77 1.21 -0.41 2.37 5.75 -1.08 -0.13 115.11 123.60 3bza h GLN 227 Ca 0.31 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 3bza h GLN 227 Cb 0.15 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 3bza h GLN 227 CO -0.16 0.81 0.24 0.82 -2.65 0.00 0.00 178.83 177.89 3bza h ILE 228 N 1.24 1.04 -0.42 2.39 2.04 -1.16 0.29 117.51 122.93 3bza h ILE 228 Ca 0.33 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 66.08 3bza h ILE 228 Cb -0.12 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 3bza h ILE 228 CO -0.07 0.09 0.14 0.00 0.00 0.00 0.00 178.15 178.31 3bza h ASP 230 N 0.30 0.84 -0.61 0.00 3.32 -0.30 -0.93 116.42 119.04 3bza h ASP 230 Ca 0.20 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3bza h ASP 230 Cb 0.19 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3bza h ASP 230 CO -0.21 0.84 0.14 0.50 -1.72 0.00 0.00 179.24 178.79 3bza h LYS 231 N 0.81 0.98 -0.36 3.56 3.64 -0.23 -0.87 116.57 124.10 3bza h LYS 231 Ca 0.18 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3bza h LYS 231 Cb 0.31 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3bza h LYS 231 CO -0.00 0.90 0.01 0.52 -2.27 0.00 0.00 179.45 178.61 3bza h MET 232 N 0.89 0.56 -0.12 1.90 2.86 -0.65 0.70 114.93 121.07 3bza h MET 232 Ca 0.19 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3bza h MET 232 Cb 0.36 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3bza h MET 232 CO 0.00 0.57 0.06 0.78 1.06 0.00 0.00 176.91 179.39 3bza h GLY 233 N 0.85 0.18 1.36 8.32 0.00 -0.78 0.27 103.07 113.26 3bza h GLY 233 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3bza h GLY 233 CO 0.01 0.08 0.38 0.00 0.00 0.00 0.00 176.54 177.01 3bza h ALA 234 N 0.95 1.48 -0.01 3.60 0.00 -0.53 -0.82 119.26 123.92 3bza h ALA 234 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bza h ALA 234 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3bza h ALA 234 CO -0.01 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.98 3bza n LEU 235 N -4.41 0.31 -3.72 0.00 4.77 0.18 -4.91 117.00 109.22 3bza n LEU 235 Ca 0.06 -0.11 -0.25 0.00 -0.03 0.00 0.00 56.01 55.68 3bza n LEU 235 Cb 0.07 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3bza n LEU 235 CO 0.37 0.06 0.09 0.54 -1.33 0.00 0.00 177.39 177.12 3bza n ARG 236 N -0.69 -6.07 -1.34 3.23 5.12 -0.32 -4.91 116.66 111.69 3bza n ARG 236 Ca 0.20 0.69 0.01 0.00 -1.93 0.00 0.00 57.85 56.82 3bza n ARG 236 Cb 0.14 -5.54 0.10 0.00 -1.16 0.00 0.00 32.46 26.00 3bza n ARG 236 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3bza n ILE 237 N -4.58 1.34 0.32 0.55 -5.35 0.02 -4.83 119.36 106.83 3bza n ILE 237 Ca -0.10 -2.51 0.19 0.00 -0.27 0.00 0.00 62.75 60.07 3bza n ILE 237 Cb 0.59 0.27 1.09 0.00 -1.74 0.00 0.00 39.64 39.85 3bza n ILE 237 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3bza h SER 238 N 1.31 0.00 0.38 7.28 4.64 -1.85 0.10 113.55 125.41 3bza h SER 238 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3bza h SER 238 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3bza h SER 238 CO 0.15 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.21 3bza n ASP 239 N -3.42 0.62 -0.69 4.97 5.75 -1.26 -1.54 116.55 120.97 3bza n ASP 239 Ca -0.03 0.71 0.12 0.00 -0.01 0.00 0.00 54.79 55.59 3bza n ASP 239 Cb 0.08 -0.82 0.35 0.00 -1.03 0.00 0.00 41.12 39.70 3bza n ASP 239 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bza n ARG 240 N -2.25 1.94 -2.92 0.11 5.12 0.02 -4.71 116.66 113.97 3bza n ARG 240 Ca 0.00 -1.39 -0.43 0.00 -1.93 0.00 0.00 57.85 54.11 3bza n ARG 240 Cb 0.14 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 29.93 3bza n ARG 240 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3bza s ILE 241 N -1.88 4.66 -0.11 0.55 1.01 -0.59 -0.84 121.20 123.99 3bza s ILE 241 Ca 0.34 0.76 -0.22 0.00 0.00 0.00 0.00 60.65 61.54 3bza s ILE 241 Cb 0.20 -4.29 -0.27 0.00 0.01 0.00 0.00 42.46 38.11 3bza s ILE 241 CO 0.31 -0.58 0.69 -0.08 0.00 0.00 0.00 174.94 175.27 3bza h GLU 242 N 8.71 0.17 -2.17 2.79 4.81 -1.16 -3.48 114.58 124.25 3bza h GLU 242 Ca -0.24 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 3bza h GLU 242 Cb 1.09 0.11 -0.22 0.00 0.63 0.00 0.00 28.75 30.35 3bza h GLU 242 CO 0.95 1.14 -0.04 0.50 -0.73 0.00 0.00 179.01 180.83 3bza s ARG 243 N -2.38 0.65 0.00 1.92 3.52 -1.07 -4.88 118.95 116.71 3bza s ARG 243 Ca -0.19 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 3bza s ARG 243 Cb 0.01 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3bza s ARG 243 CO 0.75 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.51 3bza n GLY 244 N 3.98 -0.91 3.81 8.12 0.00 -1.26 -0.53 105.19 118.40 3bza n GLY 244 Ca -0.19 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.36 3bza n GLY 244 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bza s PRO 245 N 0.00 2.84 0.33 1.61 0.04 -1.26 -4.96 135.00 133.60 3bza s PRO 245 Ca 0.00 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 3bza s PRO 245 Cb 0.00 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.60 3bza s PRO 245 CO 0.00 -1.18 0.59 0.41 0.04 0.00 0.00 177.00 176.86 3bza n GLY 246 N -1.77 1.53 3.42 0.56 0.00 -0.39 -4.98 105.19 103.57 3bza n GLY 246 Ca 0.08 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 3bza n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bza s ARG 247 N -2.31 3.53 0.50 1.61 6.06 -1.26 -0.91 118.95 126.17 3bza s ARG 247 Ca 0.18 -0.59 -0.20 0.00 -2.50 0.00 0.00 55.73 52.63 3bza s ARG 247 Cb -0.03 -2.85 -0.08 0.00 0.06 0.00 0.00 34.95 32.05 3bza s ARG 247 CO 0.13 0.15 1.04 -1.01 -2.50 0.00 0.00 175.30 173.11 3bza s HIS 248 N 0.58 3.00 0.00 5.12 3.76 0.68 -0.07 115.29 128.35 3bza s HIS 248 Ca -0.04 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 3bza s HIS 248 Cb -0.15 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.49 3bza s HIS 248 CO 0.03 -0.87 0.16 0.41 -0.85 0.00 0.00 174.74 173.62 3bza n GLY 249 N -0.37 -0.14 3.67 -2.22 0.00 -1.11 -3.57 105.19 101.45 3bza n GLY 249 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 3bza n GLY 249 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3bza n VAL 250 N -1.28 0.14 0.00 1.61 0.31 -0.10 -1.37 118.33 117.65 3bza n VAL 250 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3bza n VAL 250 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3bza n VAL 250 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3bza n SER 251 N 4.22 0.00 -0.47 4.52 3.41 -1.26 -4.47 113.62 119.57 3bza n SER 251 Ca 0.18 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3bza n SER 251 Cb 0.30 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3bza n SER 251 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3bza n ASN 252 N 0.22 -5.72 -4.83 4.04 5.15 -0.47 -4.35 115.26 109.30 3bza n ASN 252 Ca 0.00 0.15 -0.33 0.00 -0.60 0.00 0.00 54.58 53.80 3bza n ASN 252 Cb 0.00 -3.82 -0.07 0.00 -0.53 0.00 0.00 39.78 35.36 3bza n ASN 252 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bza s ALA 253 N -1.49 3.15 0.18 5.20 0.00 -1.26 -4.65 121.76 122.88 3bza s ALA 253 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 3bza s ALA 253 Cb 0.00 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 3bza s ALA 253 CO 0.00 0.20 0.95 0.12 0.00 0.00 0.00 175.76 177.03 3bza s PHE 254 N -2.07 3.90 0.19 0.00 5.36 -0.44 -0.23 117.98 124.70 3bza s PHE 254 Ca 0.58 1.86 -0.08 0.00 -0.96 0.00 0.00 56.93 58.33 3bza s PHE 254 Cb -0.10 -3.01 -0.01 0.00 -0.34 0.00 0.00 43.02 39.55 3bza s PHE 254 CO 0.15 0.34 0.31 1.52 -1.46 0.00 0.00 175.22 176.08 3bza s TYR 255 N -0.62 0.55 -0.21 10.12 1.13 -0.09 -1.42 117.35 126.81 3bza s TYR 255 Ca 0.44 -0.88 -0.19 0.00 -1.41 0.00 0.00 57.07 55.02 3bza s TYR 255 Cb -0.25 -0.09 0.06 0.00 -1.10 0.00 0.00 41.96 40.58 3bza s TYR 255 CO 0.31 -0.78 0.57 -1.17 -2.51 0.00 0.00 175.55 171.97 3bza s LEU 256 N -3.02 -0.19 -0.16 -3.49 2.96 -0.42 -1.26 118.68 113.11 3bza s LEU 256 Ca 0.23 1.15 -0.00 0.00 -0.22 0.00 0.00 54.13 55.29 3bza s LEU 256 Cb 0.03 1.94 -0.00 0.00 0.50 0.00 0.00 46.19 48.66 3bza s LEU 256 CO 0.05 -0.20 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.43 3bza s TYR 257 N 0.36 2.79 0.26 5.38 2.02 0.31 -1.04 117.35 127.44 3bza s TYR 257 Ca -0.01 -1.00 0.08 0.00 -0.37 0.00 0.00 57.07 55.78 3bza s TYR 257 Cb -0.04 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3bza s TYR 257 CO -0.00 -0.45 -0.11 0.96 -1.57 0.00 0.00 175.55 174.38 3bza s ILE 258 N 0.81 1.84 -0.14 2.71 -4.36 -0.02 -0.64 121.20 121.39 3bza s ILE 258 Ca -0.05 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.15 3bza s ILE 258 Cb -0.15 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.23 3bza s ILE 258 CO 0.00 -0.39 -0.17 -0.76 0.24 0.00 0.00 174.94 173.86 3bza s LEU 259 N -3.43 2.44 0.97 0.37 1.43 -0.02 -0.85 118.68 119.59 3bza s LEU 259 Ca 0.28 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 3bza s LEU 259 Cb 0.01 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.87 3bza s LEU 259 CO 0.11 0.11 1.22 1.51 0.23 0.00 0.00 176.35 179.53 3bza s ASP 260 N 0.68 3.00 0.61 2.29 -4.77 0.35 -4.83 116.67 113.99 3bza s ASP 260 Ca -0.08 0.58 0.32 0.00 -3.30 0.00 0.00 52.55 50.07 3bza s ASP 260 Cb -0.16 -0.86 1.84 0.00 -1.09 0.00 0.00 42.92 42.65 3bza s ASP 260 CO 0.02 -2.83 2.17 -0.65 0.70 0.00 0.00 175.17 174.57 3bza h PRO 261 N -1.70 0.00 -0.66 2.11 0.11 -1.89 0.13 132.00 130.11 3bza h PRO 261 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bza h PRO 261 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3bza h PRO 261 CO 0.47 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 3bza n ASP 262 N -3.58 4.17 -1.43 -2.05 8.00 -1.26 -4.93 116.55 115.47 3bza n ASP 262 Ca -0.01 -2.29 -0.16 0.00 0.71 0.00 0.00 54.79 53.05 3bza n ASP 262 Cb 0.23 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 3bza n ASP 262 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3bza n ASN 263 N 1.15 -4.83 -4.72 -2.24 4.13 0.46 -5.00 115.26 104.22 3bza n ASN 263 Ca 0.23 0.23 -0.42 0.00 1.68 0.00 0.00 54.58 56.31 3bza n ASN 263 Cb 0.75 -3.80 -0.03 0.00 -1.54 0.00 0.00 39.78 35.16 3bza n ASN 263 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3bza s HIS 264 N -2.66 3.35 -0.05 3.10 3.76 -1.26 -4.76 115.29 116.77 3bza s HIS 264 Ca 0.00 1.19 -0.19 0.00 -0.15 0.00 0.00 55.06 55.91 3bza s HIS 264 Cb 0.00 -3.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.11 3bza s HIS 264 CO 0.00 -1.70 0.54 0.50 -0.85 0.00 0.00 174.74 173.23 3bza s ARG 265 N 0.75 4.30 -0.07 1.40 3.52 -1.26 -0.50 118.95 127.09 3bza s ARG 265 Ca 0.60 0.61 0.05 0.00 -0.13 0.00 0.00 55.73 56.85 3bza s ARG 265 Cb -0.33 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.68 3bza s ARG 265 CO 0.32 0.29 -0.24 0.42 -0.81 0.00 0.00 175.30 175.27 3bza s ILE 266 N 0.14 2.01 -0.10 4.11 -1.09 -0.03 -2.40 121.20 123.84 3bza s ILE 266 Ca 0.29 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.66 3bza s ILE 266 Cb -0.17 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 38.96 3bza s ILE 266 CO 0.14 0.55 0.02 -0.70 -1.23 0.00 0.00 174.94 173.73 3bza s GLU 267 N 0.07 3.13 -0.09 2.79 2.12 -0.07 -0.84 118.70 125.80 3bza s GLU 267 Ca -0.10 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 54.85 3bza s GLU 267 Cb -0.15 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 3bza s GLU 267 CO 0.06 0.67 -0.03 0.42 -0.54 0.00 0.00 175.26 175.85 3bza s ILE 268 N -0.79 4.05 -0.08 -3.70 -1.09 -0.20 -1.13 121.20 118.25 3bza s ILE 268 Ca 0.12 -0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 58.11 3bza s ILE 268 Cb -0.12 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 3bza s ILE 268 CO 0.02 0.59 0.25 -0.47 -1.23 0.00 0.00 174.94 174.10 3bza s TYR 269 N -0.67 -0.24 -0.01 3.97 5.04 -0.27 -1.30 117.35 123.86 3bza s TYR 269 Ca 0.10 0.58 -0.22 0.00 -2.44 0.00 0.00 57.07 55.10 3bza s TYR 269 Cb -0.12 0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.32 3bza s TYR 269 CO 0.02 -0.17 0.47 -0.08 -1.34 0.00 0.00 175.55 174.45 3bza s THR 270 N -0.12 0.03 -0.55 4.34 -1.32 -0.51 -1.86 115.64 115.66 3bza s THR 270 Ca -0.02 -0.29 -0.02 0.00 -1.21 0.00 0.00 61.69 60.14 3bza s THR 270 Cb -0.03 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3bza s THR 270 CO 0.01 -0.16 0.47 0.00 -2.21 0.00 0.00 174.62 172.73 3bza n GLN 271 N 0.95 -3.17 0.00 7.08 6.02 -1.26 -1.32 117.38 125.67 3bza n GLN 271 Ca -0.20 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3bza n GLN 271 Cb 0.57 -3.93 0.00 0.00 1.02 0.00 0.00 30.24 27.91 3bza n GLN 271 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3bza n ASP 272 N -0.93 -0.02 -4.63 1.08 5.75 -1.26 -4.42 116.55 112.11 3bza n ASP 272 Ca -0.04 -0.91 -0.28 0.00 -0.01 0.00 0.00 54.79 53.54 3bza n ASP 272 Cb 0.54 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 3bza n ASP 272 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3bza s TYR 273 N -0.92 2.39 0.09 2.11 1.13 -1.26 -5.01 117.35 115.88 3bza s TYR 273 Ca 0.00 -0.73 -0.30 0.00 -1.41 0.00 0.00 57.07 54.63 3bza s TYR 273 Cb 0.00 -1.73 -0.05 0.00 -1.10 0.00 0.00 41.96 39.08 3bza s TYR 273 CO 0.00 0.39 0.99 -0.47 -2.51 0.00 0.00 175.55 173.95 3bza s TYR 274 N -2.76 3.74 0.00 -3.49 5.04 -1.26 -3.85 117.35 114.77 3bza s TYR 274 Ca 0.31 1.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.68 3bza s TYR 274 Cb 0.09 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.29 3bza s TYR 274 CO 0.16 0.02 0.76 0.25 -1.34 0.00 0.00 175.55 175.39 3bza n THR 275 N 3.01 0.56 0.30 4.34 -2.24 -0.54 -4.86 114.28 114.86 3bza n THR 275 Ca 0.03 -0.60 0.20 0.00 -2.27 0.00 0.00 64.05 61.41 3bza n THR 275 Cb 0.49 0.76 0.90 0.00 -2.10 0.00 0.00 70.33 70.39 3bza n THR 275 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3bza h GLY 276 N 0.00 0.00 -4.08 3.38 0.00 -1.90 -3.44 103.07 97.03 3bza h GLY 276 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3bza h GLY 276 CO 0.00 0.00 0.59 0.99 0.00 0.00 0.00 176.54 178.12 3bza s ASP 277 N -5.44 6.99 0.56 0.19 1.11 -1.26 -4.93 116.67 113.89 3bza s ASP 277 Ca -0.01 2.38 0.36 0.00 0.18 0.00 0.00 52.55 55.46 3bza s ASP 277 Cb 0.11 -2.62 1.65 0.00 1.07 0.00 0.00 42.92 43.13 3bza s ASP 277 CO 0.48 -0.42 2.08 1.55 1.18 0.00 0.00 175.17 180.04 3bza h PRO 278 N 4.73 0.00 -0.53 8.23 0.13 -2.04 -1.21 132.00 141.32 3bza h PRO 278 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 3bza h PRO 278 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 3bza h PRO 278 CO 0.73 0.00 0.12 -0.40 -0.23 0.00 0.00 178.00 178.22 3bza n ASP 279 N -3.02 4.18 -4.63 1.44 5.75 -1.26 -5.00 116.55 114.01 3bza n ASP 279 Ca -0.00 -3.26 -0.56 0.00 -0.01 0.00 0.00 54.79 50.97 3bza n ASP 279 Cb 0.23 -0.67 -0.07 0.00 -1.03 0.00 0.00 41.12 39.58 3bza n ASP 279 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3bza n ASN 280 N -0.41 1.65 -4.68 -1.12 5.15 -0.46 -4.79 115.26 110.60 3bza n ASN 280 Ca 0.34 1.11 -0.42 0.00 -0.60 0.00 0.00 54.58 55.01 3bza n ASN 280 Cb 1.18 -1.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.28 3bza n ASN 280 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3bza s PRO 281 N 1.51 4.17 -0.01 1.20 0.02 -1.26 -4.96 135.00 135.68 3bza s PRO 281 Ca 0.91 2.40 -0.30 0.00 0.02 0.00 0.00 61.00 64.02 3bza s PRO 281 Cb -1.06 -3.78 -0.04 0.00 0.02 0.00 0.00 34.50 29.65 3bza s PRO 281 CO 0.56 -0.81 1.08 0.99 -0.33 0.00 0.00 177.00 178.49 3bza s THR 282 N 3.26 4.51 -0.21 0.99 2.01 -1.26 -4.90 115.64 120.04 3bza s THR 282 Ca 0.78 1.80 -0.07 0.00 0.31 0.00 0.00 61.69 64.50 3bza s THR 282 Cb -0.40 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 3bza s THR 282 CO 0.34 0.10 0.07 -0.63 -0.69 0.00 0.00 174.62 173.81 3bza s ILE 283 N 1.37 4.64 -0.20 1.82 1.01 -0.51 -4.98 121.20 124.34 3bza s ILE 283 Ca 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 3bza s ILE 283 Cb -0.24 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 3bza s ILE 283 CO 0.26 0.41 -0.05 -0.89 0.00 0.00 0.00 174.94 174.66 3bza s THR 284 N 0.88 3.44 0.00 2.92 2.01 -1.26 -0.74 115.64 122.89 3bza s THR 284 Ca 0.04 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 3bza s THR 284 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 3bza s THR 284 CO 0.03 0.45 0.16 0.26 -0.69 0.00 0.00 174.62 174.82 3bza s TRP 285 N 1.14 3.48 0.25 4.92 0.52 -0.21 -4.98 118.94 124.06 3bza s TRP 285 Ca 0.02 0.30 -0.30 0.00 0.02 0.00 0.00 56.10 56.14 3bza s TRP 285 Cb -0.15 -1.79 -0.09 0.00 -1.15 0.00 0.00 33.47 30.29 3bza s TRP 285 CO -0.01 0.62 0.97 1.21 0.02 0.00 0.00 176.95 179.77 3bza s ASN 286 N -2.00 7.57 0.54 2.95 3.84 -1.26 -1.50 114.94 125.08 3bza s ASN 286 Ca 0.28 2.02 0.22 0.00 0.21 0.00 0.00 52.86 55.58 3bza s ASN 286 Cb -0.13 -2.61 1.47 0.00 -0.55 0.00 0.00 41.25 39.43 3bza s ASN 286 CO 0.19 0.09 2.17 1.62 -2.79 0.00 0.00 177.10 178.39 3bza h VAL 287 N 3.14 0.81 -0.00 -5.21 3.04 -1.37 -1.56 116.25 115.10 3bza h VAL 287 Ca -0.45 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3bza h VAL 287 Cb 1.20 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 3bza h VAL 287 CO 0.68 0.02 -0.03 1.41 -1.01 0.00 0.00 177.57 178.64 3bza n HIS 288 N -4.21 0.00 -2.44 3.17 8.25 -1.26 -4.81 115.22 113.92 3bza n HIS 288 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 3bza n HIS 288 Cb 0.11 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3bza n HIS 288 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3bza s ASP 289 N -2.22 6.57 0.00 0.41 -1.08 -0.59 -0.55 116.67 119.21 3bza s ASP 289 Ca 0.38 0.95 0.20 0.00 -0.52 0.00 0.00 52.55 53.56 3bza s ASP 289 Cb 0.21 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 40.29 3bza s ASP 289 CO 0.41 -1.21 1.58 -3.20 0.52 0.00 0.00 175.17 173.27 3bza n ASN 290 N 8.01 0.00 -1.00 -0.34 5.15 0.52 -2.03 115.26 125.57 3bza n ASN 290 Ca 0.15 -0.53 0.09 0.00 -0.60 0.00 0.00 54.58 53.68 3bza n ASN 290 Cb 0.47 -0.04 0.23 0.00 -0.53 0.00 0.00 39.78 39.92 3bza n ASN 290 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bza n GLN 291 N -1.04 2.70 0.09 1.20 6.02 -1.26 -4.01 117.38 121.07 3bza n GLN 291 Ca 0.14 -2.32 -0.13 0.00 -0.01 0.00 0.00 57.00 54.68 3bza n GLN 291 Cb 0.08 -1.42 -0.13 0.00 1.02 0.00 0.00 30.24 29.78 3bza n GLN 291 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 3bza h ARG 292 N 3.26 0.18 0.00 -1.09 0.11 -1.76 -3.25 114.38 111.83 3bza h ARG 292 Ca 0.00 -0.30 -0.34 0.00 0.10 0.00 0.00 59.98 59.44 3bza h ARG 292 Cb 0.86 0.11 -0.05 0.00 1.11 0.00 0.00 29.97 32.00 3bza h ARG 292 CO 0.00 1.14 -2.18 0.54 0.10 0.00 0.00 179.97 179.57 3bza n ARG 293 N -3.47 0.46 -3.95 0.08 1.74 -1.26 -0.92 116.66 109.34 3bza n ARG 293 Ca -0.05 0.18 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 3bza n ARG 293 Cb 0.99 -1.29 -0.14 0.00 -1.02 0.00 0.00 32.46 31.00 3bza n ARG 293 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bza s ASP 294 N -6.67 4.23 0.50 0.55 -1.08 -1.26 -3.28 116.67 109.66 3bza s ASP 294 Ca -0.29 -0.71 0.22 0.00 -0.52 0.00 0.00 52.55 51.25 3bza s ASP 294 Cb 0.10 -1.68 1.32 0.00 -1.46 0.00 0.00 42.92 41.21 3bza s ASP 294 CO 0.40 -0.09 2.07 -0.25 0.52 0.00 0.00 175.17 177.82 3bza h TRP 295 N 8.04 0.00 -0.03 -5.34 -0.00 -0.52 -0.52 115.95 117.58 3bza h TRP 295 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.53 3bza h TRP 295 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.29 3bza h TRP 295 CO 0.57 0.12 0.00 0.91 -0.00 0.00 0.00 178.44 180.04 3bza n TRP 296 N -3.99 0.03 -0.94 2.65 8.01 -1.26 -4.76 117.44 117.18 3bza n TRP 296 Ca -0.02 -0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 3bza n TRP 296 Cb 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 3bza n TRP 296 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bza n GLY 297 N 1.07 0.72 3.75 6.99 0.00 -0.20 -5.02 105.19 112.49 3bza n GLY 297 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3bza n GLY 297 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bza n ASN 298 N 0.00 3.00 -4.77 1.61 3.02 -1.26 -4.70 115.26 112.16 3bza n ASN 298 Ca 0.00 1.05 -0.36 0.00 -0.03 0.00 0.00 54.58 55.24 3bza n ASN 298 Cb 0.00 -1.59 -0.00 0.00 -0.61 0.00 0.00 39.78 37.58 3bza n ASN 298 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3bza s PRO 299 N -2.64 3.57 -0.21 3.52 0.04 -1.26 -4.60 135.00 133.42 3bza s PRO 299 Ca 0.66 1.70 -0.21 0.00 0.04 0.00 0.00 61.00 63.18 3bza s PRO 299 Cb -0.44 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 3bza s PRO 299 CO 0.54 -0.69 0.67 0.08 0.04 0.00 0.00 177.00 177.63 3bza s VAL 300 N -1.65 4.99 0.27 -0.36 1.01 -1.26 -5.00 120.40 118.40 3bza s VAL 300 Ca 0.68 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 3bza s VAL 300 Cb -0.26 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 3bza s VAL 300 CO 0.31 0.07 1.53 0.68 0.00 0.00 0.00 175.10 177.69 3bza s VAL 301 N 2.10 2.32 0.36 2.92 -7.23 -1.26 -4.89 120.40 114.71 3bza s VAL 301 Ca 0.30 0.27 0.08 0.00 -1.81 0.00 0.00 61.98 60.82 3bza s VAL 301 Cb -0.16 -3.17 0.31 0.00 0.56 0.00 0.00 36.38 33.92 3bza s VAL 301 CO 0.10 0.04 1.91 1.55 -0.31 0.00 0.00 175.10 178.40 3bza h PRO 302 N 4.92 0.69 -0.04 4.82 0.13 -1.97 -0.21 132.00 140.35 3bza h PRO 302 Ca -0.47 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3bza h PRO 302 Cb 1.22 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3bza h PRO 302 CO 0.79 0.46 0.04 0.66 -0.23 0.00 0.00 178.00 179.71 3bza h SER 303 N 0.71 0.00 -0.13 1.44 4.64 -1.98 0.12 113.55 118.35 3bza h SER 303 Ca 0.38 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.66 3bza h SER 303 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3bza h SER 303 CO -0.15 0.00 -0.03 -0.25 -0.87 0.00 0.00 176.83 175.52 3bza h TRP 304 N 0.00 0.40 0.00 4.77 7.01 -1.35 -0.58 115.95 126.20 3bza h TRP 304 Ca 0.02 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 3bza h TRP 304 Cb 0.09 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3bza h TRP 304 CO 0.00 0.43 -0.84 1.88 -2.79 0.00 0.00 178.44 177.12 3bza h TYR 305 N 0.38 0.00 0.00 2.65 0.05 -1.08 -3.40 116.97 115.56 3bza h TYR 305 Ca 0.08 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.67 3bza h TYR 305 Cb 0.31 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 3bza h TYR 305 CO 0.01 0.12 -1.86 0.25 -1.05 0.00 0.00 178.16 175.62 3bza n THR 306 N -2.82 0.72 -4.15 -2.88 -2.24 -0.90 -4.99 114.28 97.01 3bza n THR 306 Ca -0.01 -0.52 -0.35 0.00 -2.27 0.00 0.00 64.05 60.90 3bza n THR 306 Cb 0.60 -0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 3bza n THR 306 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bza s GLU 307 N -2.47 3.40 0.18 -0.78 0.41 -0.26 -5.05 118.70 114.14 3bza s GLU 307 Ca -0.06 -0.33 -0.24 0.00 -0.41 0.00 0.00 54.97 53.93 3bza s GLU 307 Cb 0.05 -3.01 0.05 0.00 -1.78 0.00 0.00 34.13 29.44 3bza s GLU 307 CO 0.56 0.58 0.78 0.00 -0.49 0.00 0.00 175.26 176.69 3bza s ALA 308 N -0.51 -1.50 0.27 5.21 0.00 -1.26 -4.84 121.76 119.13 3bza s ALA 308 Ca 0.10 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 3bza s ALA 308 Cb -0.12 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.65 3bza s ALA 308 CO 0.02 -0.93 0.87 -1.12 0.00 0.00 0.00 175.76 174.60 3bza s SER 309 N -2.83 7.30 0.84 0.00 0.01 0.05 -4.84 113.70 114.24 3bza s SER 309 Ca 0.08 1.72 -0.13 0.00 1.31 0.00 0.00 55.95 58.93 3bza s SER 309 Cb -0.03 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.76 3bza s SER 309 CO -0.01 0.01 1.13 0.29 0.41 0.00 0.00 173.24 175.06 3bza n LYS 310 N 0.79 0.00 -4.36 12.44 5.02 -1.26 -0.65 118.16 130.14 3bza n LYS 310 Ca -0.00 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.14 3bza n LYS 310 Cb 0.50 -2.37 -0.11 0.00 -0.02 0.00 0.00 35.03 33.02 3bza n LYS 310 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3bza s VAL 311 N -2.26 1.97 0.05 -0.18 -7.23 -1.26 -0.61 120.40 110.88 3bza s VAL 311 Ca 0.71 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3bza s VAL 311 Cb -0.27 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3bza s VAL 311 CO 0.54 -0.32 0.16 -0.76 -0.31 0.00 0.00 175.10 174.40 3bza s LEU 312 N -2.83 4.17 0.00 1.32 1.43 0.16 -1.00 118.68 121.94 3bza s LEU 312 Ca 0.19 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 3bza s LEU 312 Cb -0.05 -2.73 0.11 0.00 0.03 0.00 0.00 46.19 43.54 3bza s LEU 312 CO 0.08 0.19 0.66 -0.90 0.23 0.00 0.00 176.35 176.61 3bza n ASP 313 N 0.49 0.22 0.15 2.29 5.68 0.10 -4.32 116.55 121.16 3bza n ASP 313 Ca -0.07 -1.34 0.13 0.00 -0.50 0.00 0.00 54.79 53.00 3bza n ASP 313 Cb 0.51 -0.49 0.48 0.00 -1.14 0.00 0.00 41.12 40.49 3bza n ASP 313 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3bza h LEU 314 N 0.00 0.00 -0.05 -2.12 3.38 -1.94 -2.02 115.31 112.55 3bza h LEU 314 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3bza h LEU 314 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3bza h LEU 314 CO 0.17 0.00 -0.20 0.47 0.09 0.00 0.00 178.44 178.97 3bza n ASP 315 N -2.43 0.28 0.00 -0.43 8.00 -1.26 -4.93 116.55 115.79 3bza n ASP 315 Ca 0.03 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3bza n ASP 315 Cb 0.31 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3bza n ASP 315 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bza n GLY 316 N 1.45 0.69 3.90 0.44 0.00 -0.76 -5.07 105.19 105.84 3bza n GLY 316 Ca 0.08 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3bza n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bza s ASN 317 N -2.32 6.26 0.19 1.61 0.01 -1.26 -4.83 114.94 114.60 3bza s ASN 317 Ca 0.00 0.26 -0.31 0.00 -0.71 0.00 0.00 52.86 52.10 3bza s ASN 317 Cb 0.00 -1.91 -0.10 0.00 0.41 0.00 0.00 41.25 39.65 3bza s ASN 317 CO 0.00 0.19 1.52 -0.69 -1.51 0.00 0.00 177.10 176.62 3bza s VAL 318 N -1.45 2.67 0.24 1.60 1.01 -1.26 0.03 120.40 123.25 3bza s VAL 318 Ca 0.32 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3bza s VAL 318 Cb -0.13 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 3bza s VAL 318 CO 0.25 0.05 1.42 -1.10 0.00 0.00 0.00 175.10 175.71 3bza s GLN 319 N 0.71 4.29 0.52 2.72 -1.52 -0.17 -4.78 119.66 121.43 3bza s GLN 319 Ca 0.67 2.26 -0.23 0.00 -1.95 0.00 0.00 55.36 56.11 3bza s GLN 319 Cb -0.43 -3.12 -0.06 0.00 -0.22 0.00 0.00 33.01 29.18 3bza s GLN 319 CO 0.35 -0.39 1.39 -0.85 -0.25 0.00 0.00 175.29 175.54 3bza n GLU 320 N 2.33 1.88 -3.71 2.91 0.28 -1.26 -4.80 120.64 118.27 3bza n GLU 320 Ca 0.06 0.68 -0.36 0.00 -0.16 0.00 0.00 57.16 57.39 3bza n GLU 320 Cb 0.41 -2.61 -0.09 0.00 1.43 0.00 0.00 31.44 30.58 3bza n GLU 320 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3bza s ILE 321 N -1.26 5.37 -0.17 3.84 1.01 -1.26 -4.28 121.20 124.45 3bza s ILE 321 Ca 0.69 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 61.44 3bza s ILE 321 Cb -0.42 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3bza s ILE 321 CO 0.52 0.40 0.09 -0.63 0.00 0.00 0.00 174.94 175.32 3bza s ILE 322 N 0.65 5.05 0.15 2.92 1.09 0.18 -4.87 121.20 126.37 3bza s ILE 322 Ca 0.08 0.05 -0.30 0.00 -1.10 0.00 0.00 60.65 59.38 3bza s ILE 322 Cb -0.12 -3.26 -0.07 0.00 -1.06 0.00 0.00 42.46 37.95 3bza s ILE 322 CO 0.01 0.49 1.00 -1.61 -0.10 0.00 0.00 174.94 174.73 3bza s GLU 323 N 0.07 4.69 0.21 2.79 2.02 -1.26 -1.42 118.70 125.80 3bza s GLU 323 Ca 0.07 1.54 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 3bza s GLU 323 Cb -0.12 -3.33 -0.09 0.00 0.10 0.00 0.00 34.13 30.69 3bza s GLU 323 CO 0.00 0.22 1.41 0.50 0.02 0.00 0.00 175.26 177.40 3bza s ARG 324 N -0.29 4.30 -0.04 1.61 3.52 -1.26 -4.93 118.95 121.87 3bza s ARG 324 Ca 0.47 2.21 0.15 0.00 -0.13 0.00 0.00 55.73 58.43 3bza s ARG 324 Cb -0.26 -3.15 -0.24 0.00 -1.56 0.00 0.00 34.95 29.74 3bza s ARG 324 CO 0.32 -0.39 0.30 0.25 -0.81 0.00 0.00 175.30 174.96 3bza n THR 325 N 2.75 0.18 -0.84 4.11 -2.24 -1.26 -4.93 114.28 112.05 3bza n THR 325 Ca 0.08 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 3bza n THR 325 Cb 0.41 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.81 3bza n THR 325 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3bza s ASP 326 N -4.01 2.99 0.52 3.42 1.01 -1.26 -4.94 116.67 114.40 3bza s ASP 326 Ca -0.06 1.93 -0.22 0.00 0.71 0.00 0.00 52.55 54.92 3bza s ASP 326 Cb 0.09 -2.47 -0.07 0.00 1.01 0.00 0.00 42.92 41.48 3bza s ASP 326 CO 0.65 -3.02 1.14 0.47 0.21 0.00 0.00 175.17 174.62 3bza n ASP 327 N -4.16 1.71 -4.67 0.27 8.00 -1.26 -4.96 116.55 111.47 3bza n ASP 327 Ca 0.09 0.95 -0.41 0.00 0.71 0.00 0.00 54.79 56.13 3bza n ASP 327 Cb 0.53 -1.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.13 3bza n ASP 327 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3bza s SER 328 N -0.94 6.85 0.24 -2.24 0.15 -1.26 -4.98 113.70 111.52 3bza s SER 328 Ca 0.70 1.04 -0.05 0.00 0.70 0.00 0.00 55.95 58.34 3bza s SER 328 Cb -0.46 -2.41 0.39 0.00 -1.71 0.00 0.00 66.02 61.83 3bza s SER 328 CO 0.51 -0.32 1.79 -0.08 1.20 0.00 0.00 173.24 176.35 3bza h GLU 329 N 7.32 0.68 0.08 5.44 4.81 -1.93 -0.41 114.58 130.57 3bza h GLU 329 Ca -0.31 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.90 3bza h GLU 329 Cb 1.14 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 3bza h GLU 329 CO 0.80 0.45 -0.25 1.25 -0.73 0.00 0.00 179.01 180.53 3bza h LEU 330 N 0.70 -0.71 -0.76 1.64 6.46 -1.94 -2.51 115.31 118.19 3bza h LEU 330 Ca 0.39 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 58.19 3bza h LEU 330 Cb 0.40 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 3bza h LEU 330 CO -0.27 -0.33 0.31 -0.33 -0.62 0.00 0.00 178.44 177.20 3bza h GLU 331 N -0.43 1.12 0.00 1.25 4.39 -1.74 0.47 114.58 119.64 3bza h GLU 331 Ca 0.04 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3bza h GLU 331 Cb 0.48 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3bza h GLU 331 CO -0.17 0.91 0.00 1.33 -1.16 0.00 0.00 179.01 179.93 3bza n VAL 332 N -4.33 0.43 -0.04 3.13 0.24 -0.24 -3.00 118.33 114.52 3bza n VAL 332 Ca 0.06 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 3bza n VAL 332 Cb 0.18 -0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 31.86 3bza n VAL 332 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3bza n THR 333 N -1.90 0.48 -0.16 3.34 -2.24 -0.96 -0.89 114.28 111.96 3bza n THR 333 Ca 0.06 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3bza n THR 333 Cb 0.35 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 3bza n THR 333 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3bza n ILE 334 N -3.01 0.00 -1.66 2.28 -5.35 0.09 -3.35 119.36 108.36 3bza n ILE 334 Ca -0.16 -0.39 -0.30 0.00 -0.27 0.00 0.00 62.75 61.63 3bza n ILE 334 Cb 0.64 1.16 0.17 0.00 -1.74 0.00 0.00 39.64 39.87 3bza n ILE 334 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3bza s GLY 335 N -0.22 1.67 0.56 3.28 0.00 -0.83 -4.20 107.32 107.58 3bza s GLY 335 Ca 0.00 -0.93 0.24 0.00 0.00 0.00 0.00 44.72 44.03 3bza s GLY 335 CO 0.00 -0.21 2.15 0.00 0.00 0.00 0.00 173.10 175.04 3bza h ALA 336 N -1.74 1.88 -0.41 3.20 0.00 -1.81 0.16 119.26 120.54 3bza h ALA 336 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3bza h ALA 336 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3bza h ALA 336 CO 0.46 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 3bza n ASP 337 N -4.18 4.17 -4.75 0.00 8.00 -1.26 -4.25 116.55 114.28 3bza n ASP 337 Ca -0.01 -2.69 -0.29 0.00 0.71 0.00 0.00 54.79 52.51 3bza n ASP 337 Cb 0.19 -0.51 0.11 0.00 -0.02 0.00 0.00 41.12 40.89 3bza n ASP 337 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bza s GLY 338 N -1.37 1.62 -0.14 0.44 0.00 0.55 -4.81 107.32 103.61 3bza s GLY 338 Ca 0.42 -0.73 -0.15 0.00 0.00 0.00 0.00 44.72 44.27 3bza s GLY 338 CO 0.15 -0.18 0.41 -0.12 0.00 0.00 0.00 173.10 173.35 3bza s PHE 339 N -3.59 -0.43 -0.01 1.90 5.36 -0.07 -1.20 117.98 119.93 3bza s PHE 339 Ca 0.64 1.02 -0.11 0.00 -0.96 0.00 0.00 56.93 57.51 3bza s PHE 339 Cb -0.10 0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.75 3bza s PHE 339 CO 0.50 -0.25 0.24 -1.54 -1.46 0.00 0.00 175.22 172.71 3bza s SER 340 N -0.00 -0.11 0.23 6.13 1.04 -0.56 -4.24 113.70 116.18 3bza s SER 340 Ca -0.02 0.01 0.12 0.00 0.48 0.00 0.00 55.95 56.53 3bza s SER 340 Cb -0.03 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 3bza s SER 340 CO 0.01 -0.39 -0.21 0.72 0.98 0.00 0.00 173.24 174.35 3bza s PHE 341 N -1.24 2.31 -0.21 5.02 -0.71 0.29 -0.39 117.98 123.06 3bza s PHE 341 Ca -0.13 -0.34 -0.18 0.00 -1.04 0.00 0.00 56.93 55.24 3bza s PHE 341 Cb -0.06 -1.08 -0.19 0.00 -1.21 0.00 0.00 43.02 40.48 3bza s PHE 341 CO 0.03 0.60 0.16 2.41 -1.34 0.00 0.00 175.22 177.08 3bza n THR 342 N -0.17 1.57 -4.74 -4.49 -1.04 -0.92 -0.35 114.28 104.14 3bza n THR 342 Ca -0.09 -0.18 -0.33 0.00 -2.04 0.00 0.00 64.05 61.42 3bza n THR 342 Cb 0.58 -1.96 -0.16 0.00 -1.82 0.00 0.00 70.33 66.96 3bza n THR 342 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3bza s ARG 343 N -2.41 3.07 0.19 -2.82 0.52 -1.26 -4.84 118.95 111.40 3bza s ARG 343 Ca -0.29 -0.84 -0.33 0.00 -0.52 0.00 0.00 55.73 53.75 3bza s ARG 343 Cb 0.07 -2.45 -0.14 0.00 0.52 0.00 0.00 34.95 32.95 3bza s ARG 343 CO 0.61 0.03 1.41 0.00 0.02 0.00 0.00 175.30 177.36 3bza n ALA 344 N 3.97 0.70 -0.98 2.13 0.00 -1.26 -1.52 120.51 123.55 3bza n ALA 344 Ca -0.20 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3bza n ALA 344 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3bza n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bza n GLY 345 N 2.51 0.52 3.33 0.00 0.00 -1.26 -5.01 105.19 105.27 3bza n GLY 345 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3bza n GLY 345 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bza s ASP 346 N -2.21 4.13 0.21 1.61 -1.08 -0.57 -4.99 116.67 113.76 3bza s ASP 346 Ca 0.00 -0.36 -0.00 0.00 -0.52 0.00 0.00 52.55 51.66 3bza s ASP 346 Cb 0.00 -1.67 0.16 0.00 -1.46 0.00 0.00 42.92 39.95 3bza s ASP 346 CO 0.00 0.07 1.52 -0.08 0.52 0.00 0.00 175.17 177.20 3bza h GLU 347 N 7.41 0.43 -6.55 4.34 4.57 -1.95 -3.39 114.58 119.43 3bza h GLU 347 Ca -0.35 -0.28 -0.54 0.00 -1.18 0.00 0.00 59.36 57.01 3bza h GLU 347 Cb 1.18 0.04 0.05 0.00 -0.16 0.00 0.00 28.75 29.86 3bza h GLU 347 CO 0.59 0.89 1.01 -0.25 -1.18 0.00 0.00 179.01 180.07 3bza n ASP 348 N -3.92 3.82 -0.18 1.04 8.00 -1.26 -1.78 116.55 122.27 3bza n ASP 348 Ca -0.03 1.03 -0.02 0.00 0.71 0.00 0.00 54.79 56.48 3bza n ASP 348 Cb 0.62 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 3bza n ASP 348 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bza n GLY 349 N 3.99 0.57 3.94 0.44 0.00 -1.26 -4.65 105.19 108.22 3bza n GLY 349 Ca 0.17 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 3bza n GLY 349 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bza s SER 350 N -2.72 6.00 -0.06 1.61 1.04 -0.73 -2.16 113.70 116.68 3bza s SER 350 Ca 0.00 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3bza s SER 350 Cb 0.00 -1.53 0.02 0.00 0.10 0.00 0.00 66.02 64.61 3bza s SER 350 CO 0.00 -0.19 -0.08 -0.31 0.98 0.00 0.00 173.24 173.64 3bza s TYR 351 N -2.09 1.14 -0.21 5.02 2.02 0.48 -5.00 117.35 118.71 3bza s TYR 351 Ca 0.37 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3bza s TYR 351 Cb -0.09 -0.91 0.03 0.00 -0.40 0.00 0.00 41.96 40.59 3bza s TYR 351 CO 0.29 -0.27 -0.17 -1.01 -1.57 0.00 0.00 175.55 172.82 3bza s HIS 352 N 0.96 2.94 -1.18 2.71 3.76 -1.26 -1.50 115.29 121.72 3bza s HIS 352 Ca -0.10 -1.85 0.00 0.00 -0.15 0.00 0.00 55.06 52.96 3bza s HIS 352 Cb -0.15 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3bza s HIS 352 CO 0.00 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 3bza n GLY 353 N 4.56 1.11 3.81 -2.22 0.00 -0.34 -4.96 105.19 107.15 3bza n GLY 353 Ca -0.19 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 3bza n GLY 353 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bza s GLN 354 N -3.13 2.15 0.74 1.61 -2.07 -1.25 -4.37 119.66 113.34 3bza s GLN 354 Ca 0.00 -1.37 -0.06 0.00 -1.82 0.00 0.00 55.36 52.11 3bza s GLN 354 Cb 0.00 0.61 0.10 0.00 -1.09 0.00 0.00 33.01 32.63 3bza s GLN 354 CO 0.00 -1.01 1.03 0.00 -1.32 0.00 0.00 175.29 174.00 3bza s ALA 355 N -2.43 3.24 0.93 2.60 0.00 -0.64 -4.56 121.76 120.89 3bza s ALA 355 Ca 0.15 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 3bza s ALA 355 Cb -0.05 -2.40 0.15 0.00 0.00 0.00 0.00 23.12 20.82 3bza s ALA 355 CO 0.11 -1.48 1.13 -1.54 0.00 0.00 0.00 175.76 173.98 3bza s SER 356 N -4.63 3.35 -2.20 0.00 1.04 -1.26 -4.18 113.70 105.82 3bza s SER 356 Ca 0.64 0.98 0.00 0.00 0.48 0.00 0.00 55.95 58.04 3bza s SER 356 Cb -0.08 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.49 3bza s SER 356 CO 0.45 -2.65 0.00 0.29 0.98 0.00 0.00 173.24 172.31 3bza n LYS 357 N -3.83 -1.44 -0.34 4.02 4.76 -1.26 -3.17 118.16 116.90 3bza n LYS 357 Ca 0.06 1.23 0.00 0.00 -2.87 0.00 0.00 58.31 56.73 3bza n LYS 357 Cb 0.59 -5.61 0.00 0.00 -1.84 0.00 0.00 35.03 28.17 3bza n LYS 357 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bza n GLY 358 N -0.43 0.81 3.71 0.72 0.00 -1.26 -5.08 105.19 103.67 3bza n GLY 358 Ca -0.21 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 3bza n GLY 358 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bza s PHE 359 N -2.00 2.91 0.24 1.61 0.08 -1.19 -5.06 117.98 114.58 3bza s PHE 359 Ca 0.00 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 57.00 3bza s PHE 359 Cb 0.00 -1.37 -0.05 0.00 -0.57 0.00 0.00 43.02 41.03 3bza s PHE 359 CO 0.00 0.54 -0.13 0.15 -0.10 0.00 0.00 175.22 175.68 3bza s LYS 360 N -3.28 1.45 0.02 0.44 1.02 -1.26 -1.63 119.74 116.51 3bza s LYS 360 Ca 0.30 -1.68 -0.36 0.00 0.02 0.00 0.00 55.97 54.25 3bza s LYS 360 Cb -0.09 -1.24 -0.15 0.00 -0.52 0.00 0.00 37.83 35.84 3bza s LYS 360 CO 0.21 0.16 1.59 1.28 -0.92 0.00 0.00 175.35 177.67 3bza n LEU 361 N -0.48 2.61 0.00 3.17 4.77 -1.26 -4.92 117.00 120.89 3bza n LEU 361 Ca -0.07 1.07 0.12 0.00 -0.03 0.00 0.00 56.01 57.10 3bza n LEU 361 Cb 0.61 -1.30 0.71 0.00 -2.33 0.00 0.00 43.42 41.12 3bza n LEU 361 CO 0.37 -0.50 0.90 0.61 -1.33 0.00 0.00 177.39 177.44