#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 4.98 0.65 6.31 1.01 -1.26 -5.04 121.20 127.85 3bza s ILE 5 Ca 0.00 1.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.68 3bza s ILE 5 Cb 0.00 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 3bza s ILE 5 CO 0.00 0.04 1.11 -2.16 0.00 0.00 0.00 174.94 173.93 3bza s PRO 6 N 2.36 2.85 -0.32 2.79 0.04 -1.26 -4.77 135.00 136.68 3bza s PRO 6 Ca 0.27 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.44 3bza s PRO 6 Cb -0.16 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3bza s PRO 6 CO 0.09 -1.21 0.90 0.21 0.04 0.00 0.00 177.00 177.03 3bza s LYS 7 N -4.08 3.97 0.75 4.56 2.20 -1.26 -5.02 119.74 120.87 3bza s LYS 7 Ca 0.67 0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 56.86 3bza s LYS 7 Cb -0.20 -3.75 0.04 0.00 -1.51 0.00 0.00 37.83 32.41 3bza s LYS 7 CO 0.41 -0.80 1.16 -2.30 -0.36 0.00 0.00 175.35 173.45 3bza n PRO 8 N 6.52 0.46 -0.00 4.03 -0.02 -1.26 -4.94 135.00 139.78 3bza n PRO 8 Ca 0.07 0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 61.60 3bza n PRO 8 Cb 0.48 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 3bza n PRO 8 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bza h VAL 9 N -0.44 1.29 -3.52 -1.45 2.07 -1.97 -3.45 116.25 108.78 3bza h VAL 9 Ca -0.48 -2.05 -0.55 0.00 0.82 0.00 0.00 66.70 64.44 3bza h VAL 9 Cb 1.32 2.09 0.11 0.00 -1.52 0.00 0.00 31.29 33.28 3bza h VAL 9 CO 0.48 0.65 0.66 0.00 0.02 0.00 0.00 177.57 179.37 3bza n ALA 10 N -2.61 1.85 -1.77 1.67 0.00 -1.26 -4.95 120.51 113.45 3bza n ALA 10 Ca -0.08 0.36 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 3bza n ALA 10 Cb 0.78 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.74 3.54 0.51 0.00 0.04 -1.26 -4.89 135.00 131.20 3bza s PRO 11 Ca 0.56 1.78 -0.21 0.00 0.04 0.00 0.00 61.00 63.17 3bza s PRO 11 Cb -0.53 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 3bza s PRO 11 CO 0.61 -0.73 1.15 0.00 0.04 0.00 0.00 177.00 178.07 3bza s ALA 12 N -1.58 2.81 0.42 8.56 0.00 -1.26 -4.71 121.76 125.99 3bza s ALA 12 Ca 0.68 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 53.28 3bza s ALA 12 Cb -0.29 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 3bza s ALA 12 CO 0.34 -0.75 1.24 -1.25 0.00 0.00 0.00 175.76 175.34 3bza s PRO 13 N -3.02 3.94 -0.62 0.00 0.04 -1.26 -4.94 135.00 129.14 3bza s PRO 13 Ca 0.69 2.00 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 3bza s PRO 13 Cb -0.27 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.61 3bza s PRO 13 CO 0.31 -0.47 1.46 0.34 0.04 0.00 0.00 177.00 178.69 3bza s ASP 14 N -0.95 5.97 -0.10 6.66 -1.08 -1.26 -4.93 116.67 120.97 3bza s ASP 14 Ca 0.58 0.10 -0.22 0.00 -0.52 0.00 0.00 52.55 52.48 3bza s ASP 14 Cb -0.35 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.53 3bza s ASP 14 CO 0.44 -1.87 0.67 -0.63 0.52 0.00 0.00 175.17 174.29 3bza s ILE 15 N 6.55 5.05 -0.12 4.11 1.01 -1.26 -1.10 121.20 135.45 3bza s ILE 15 Ca 0.50 1.35 -0.27 0.00 0.00 0.00 0.00 60.65 62.23 3bza s ILE 15 Cb -0.10 -4.00 -0.23 0.00 0.01 0.00 0.00 42.46 38.13 3bza s ILE 15 CO 0.21 0.23 0.82 -0.07 0.00 0.00 0.00 174.94 176.13 3bza h LEU 16 N 7.06 -0.01 0.00 2.97 3.38 -0.88 -3.46 115.31 124.38 3bza h LEU 16 Ca -0.39 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 56.74 3bza h LEU 16 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3bza h LEU 16 CO 0.76 0.87 0.00 -2.11 0.09 0.00 0.00 178.44 178.05 3bza n ARG 17 N -4.67 0.00 -1.80 1.13 1.85 -1.21 -3.39 116.66 108.56 3bza n ARG 17 Ca -0.09 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.36 3bza n ARG 17 Cb 0.41 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.84 3bza n ARG 17 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bza n ALA 19 N -0.36 2.61 -3.50 0.00 0.00 0.14 -4.75 120.51 114.65 3bza n ALA 19 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 3bza n ALA 19 Cb 0.42 0.39 -0.02 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.92 -0.43 0.06 0.00 1.13 -1.11 -4.30 117.35 110.78 3bza s TYR 20 Ca 0.00 0.21 0.09 0.00 -1.41 0.00 0.00 57.07 55.97 3bza s TYR 20 Cb 0.00 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.40 3bza s TYR 20 CO 0.00 -0.80 -0.26 0.00 -2.51 0.00 0.00 175.55 171.98 3bza s ALA 21 N -3.56 2.22 -0.29 9.51 0.00 -0.81 -0.44 121.76 128.39 3bza s ALA 21 Ca 0.04 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 3bza s ALA 21 Cb -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3bza s ALA 21 CO -0.09 0.52 0.11 -2.00 0.00 0.00 0.00 175.76 174.30 3bza s GLU 22 N -1.36 3.38 -0.15 0.00 2.12 0.41 -0.90 118.70 122.19 3bza s GLU 22 Ca 0.12 -0.68 -0.03 0.00 0.36 0.00 0.00 54.97 54.74 3bza s GLU 22 Cb -0.10 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 3bza s GLU 22 CO 0.03 -0.35 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.84 3bza s LEU 23 N 1.59 3.22 -0.02 2.70 1.43 -0.13 -0.83 118.68 126.63 3bza s LEU 23 Ca 0.05 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 3bza s LEU 23 Cb -0.16 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3bza s LEU 23 CO 0.04 0.17 0.92 -0.69 0.23 0.00 0.00 176.35 177.03 3bza s VAL 24 N 0.33 4.90 0.13 -1.59 1.01 0.44 -0.82 120.40 124.81 3bza s VAL 24 Ca -0.04 1.92 0.08 0.00 0.00 0.00 0.00 61.98 63.94 3bza s VAL 24 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3bza s VAL 24 CO 0.03 0.17 -0.19 0.68 0.00 0.00 0.00 175.10 175.79 3bza s VAL 25 N 1.03 1.73 -0.09 2.92 -7.23 0.01 -2.40 120.40 116.37 3bza s VAL 25 Ca 0.49 -1.74 0.15 0.00 -1.81 0.00 0.00 61.98 59.06 3bza s VAL 25 Cb -0.20 -1.69 -0.21 0.00 0.56 0.00 0.00 36.38 34.84 3bza s VAL 25 CO 0.25 -0.21 0.61 0.35 -0.31 0.00 0.00 175.10 175.78 3bza n THR 26 N 0.66 1.44 -3.75 5.32 -2.24 -1.26 -1.28 114.28 113.17 3bza n THR 26 Ca -0.16 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.55 3bza n THR 26 Cb 0.56 -0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 67.78 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 -5.89 3.89 0.23 3.42 -1.08 -1.26 -4.74 116.67 111.24 3bza s ASP 27 Ca -0.05 -1.51 -0.08 0.00 -0.52 0.00 0.00 52.55 50.39 3bza s ASP 27 Cb 0.08 -0.87 0.20 0.00 -1.46 0.00 0.00 42.92 40.87 3bza s ASP 27 CO 0.82 -0.39 1.89 0.25 0.52 0.00 0.00 175.17 178.27 3bza h LEU 28 N 8.09 1.03 -0.71 -1.34 5.85 -1.95 -1.45 115.31 124.83 3bza h LEU 28 Ca -0.14 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3bza h LEU 28 Cb 1.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3bza h LEU 28 CO 0.45 0.77 0.37 0.00 -0.34 0.00 0.00 178.44 179.69 3bza h ALA 29 N 1.30 0.91 -0.40 1.25 0.00 -1.97 0.66 119.26 121.01 3bza h ALA 29 Ca 0.32 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3bza h ALA 29 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3bza h ALA 29 CO -0.06 0.43 -0.30 0.87 0.00 0.00 0.00 179.25 180.19 3bza h LYS 30 N 0.97 0.88 -0.69 0.00 1.57 -1.88 -1.73 116.57 115.69 3bza h LYS 30 Ca 0.25 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3bza h LYS 30 Cb 0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3bza h LYS 30 CO -0.04 1.06 0.13 0.77 -0.57 0.00 0.00 179.45 180.80 3bza h SER 31 N 0.74 1.08 -0.33 0.86 0.02 -1.04 -2.53 113.55 112.35 3bza h SER 31 Ca 0.08 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3bza h SER 31 Cb 0.86 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3bza h SER 31 CO 0.08 1.06 0.12 -0.09 -1.14 0.00 0.00 176.83 176.86 3bza h ARG 32 N 1.06 0.26 -0.76 3.45 2.43 -0.66 -0.08 114.38 120.10 3bza h ARG 32 Ca 0.21 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 3bza h ARG 32 Cb 0.43 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 3bza h ARG 32 CO 0.01 0.17 0.38 -0.91 -1.51 0.00 0.00 179.97 178.12 3bza h ASN 33 N 0.27 0.49 0.23 -3.80 -0.26 -1.06 0.15 115.58 111.60 3bza h ASN 33 Ca 0.15 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 3bza h ASN 33 Cb 0.11 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3bza h ASN 33 CO -0.14 0.26 -0.11 0.15 -1.06 0.00 0.00 177.43 176.53 3bza h PHE 34 N 0.62 -0.28 0.03 1.19 3.57 -0.98 0.06 116.94 121.15 3bza h PHE 34 Ca 0.38 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.65 3bza h PHE 34 Cb 0.44 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3bza h PHE 34 CO -0.10 0.07 -1.04 1.88 -2.23 0.00 0.00 178.31 176.88 3bza h TYR 35 N -0.69 0.15 0.00 0.41 0.05 -0.79 -0.86 116.97 115.24 3bza h TYR 35 Ca -0.03 -0.10 -0.13 0.00 0.05 0.00 0.00 58.73 58.51 3bza h TYR 35 Cb 0.48 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3bza h TYR 35 CO 0.04 1.06 -1.26 0.28 -1.05 0.00 0.00 178.16 177.23 3bza n VAL 36 N -3.43 1.49 -0.04 -2.88 0.31 0.50 -1.77 118.33 112.51 3bza n VAL 36 Ca -0.02 0.02 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 3bza n VAL 36 Cb 0.94 -2.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 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 0.53 0.01 4.52 3.32 -1.30 0.32 116.42 122.83 3bza h ASP 37 Ca -0.20 -0.61 -0.00 0.00 0.02 0.00 0.00 57.03 56.24 3bza h ASP 37 Cb 1.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3bza h ASP 37 CO -0.12 1.05 -0.01 0.58 -1.72 0.00 0.00 179.24 179.02 3bza h VAL 38 N 0.05 1.38 0.00 -1.35 2.07 -0.82 -3.38 116.25 114.20 3bza h VAL 38 Ca -0.01 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.55 3bza h VAL 38 Cb 1.00 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 3bza h VAL 38 CO 0.08 0.46 -0.68 -0.07 0.02 0.00 0.00 177.57 177.37 3bza h LEU 39 N -0.97 0.00 0.23 2.57 3.38 -1.28 -3.49 115.31 115.76 3bza h LEU 39 Ca -0.00 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3bza h LEU 39 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3bza h LEU 39 CO 0.00 0.02 -0.09 0.61 0.09 0.00 0.00 178.44 179.08 3bza n GLY 40 N 1.20 0.73 3.66 0.83 0.00 0.10 -4.54 105.19 107.17 3bza n GLY 40 Ca 0.02 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3bza n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bza n LEU 41 N -0.55 3.99 -4.72 0.99 4.77 -0.73 -4.89 117.00 115.87 3bza n LEU 41 Ca -0.05 0.61 -0.35 0.00 -0.03 0.00 0.00 56.01 56.19 3bza n LEU 41 Cb 0.22 -1.47 -0.08 0.00 -2.33 0.00 0.00 43.42 39.76 3bza n LEU 41 CO 0.07 -1.86 -0.21 -1.00 -1.33 0.00 0.00 177.39 173.06 3bza s HIS 42 N -2.02 3.37 -0.24 -1.77 3.76 -0.71 -4.61 115.29 113.07 3bza s HIS 42 Ca 0.73 0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 55.63 3bza s HIS 42 Cb -0.31 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.32 3bza s HIS 42 CO 0.51 0.33 0.95 0.08 -0.85 0.00 0.00 174.74 175.76 3bza s VAL 43 N 0.05 4.74 -0.03 -0.90 1.01 -1.26 -0.76 120.40 123.25 3bza s VAL 43 Ca 0.08 1.84 0.08 0.00 0.00 0.00 0.00 61.98 63.97 3bza s VAL 43 Cb -0.12 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.80 3bza s VAL 43 CO 0.00 -0.14 0.70 0.28 0.00 0.00 0.00 175.10 175.94 3bza h SER 44 N 7.55 0.09 -3.95 3.32 0.02 -1.14 -3.48 113.55 115.96 3bza h SER 44 Ca -0.21 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3bza h SER 44 Cb 1.07 -0.03 -0.23 0.00 0.14 0.00 0.00 62.40 63.35 3bza h SER 44 CO 0.94 1.16 0.43 -0.47 -1.14 0.00 0.00 176.83 177.75 3bza s TYR 45 N -2.61 -0.48 -0.00 3.45 5.04 -1.20 -5.01 117.35 116.55 3bza s TYR 45 Ca -0.07 0.97 -0.18 0.00 -2.44 0.00 0.00 57.07 55.35 3bza s TYR 45 Cb 0.08 0.40 0.03 0.00 0.35 0.00 0.00 41.96 42.82 3bza s TYR 45 CO 0.82 -0.35 0.39 -1.83 -1.34 0.00 0.00 175.55 173.24 3bza s GLU 46 N -0.59 0.80 0.00 4.97 -1.05 -1.26 -0.19 118.70 121.38 3bza s GLU 46 Ca -0.01 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 3bza s GLU 46 Cb -0.02 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 3bza s GLU 46 CO 0.00 -0.24 0.00 -0.40 0.95 0.00 0.00 175.26 175.57 3bza n ASP 47 N 0.99 0.00 0.27 0.83 5.68 -0.40 -5.01 116.55 118.91 3bza n ASP 47 Ca -0.20 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.25 3bza n ASP 47 Cb 0.57 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.18 3bza n ASP 47 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3bza h GLU 48 N 0.00 0.00 0.00 0.11 -0.00 -2.03 -3.32 114.58 109.34 3bza h GLU 48 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.17 3bza h GLU 48 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.71 3bza h GLU 48 CO 0.00 0.01 -1.82 0.09 -0.00 0.00 0.00 179.01 177.29 3bza n ASN 49 N -3.11 1.94 -3.80 3.06 3.02 -1.26 -4.93 115.26 110.18 3bza n ASN 49 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.44 3bza n ASN 49 Cb 0.33 0.92 -0.09 0.00 -0.61 0.00 0.00 39.78 40.34 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 -2.39 0.62 -0.08 3.52 -0.21 -1.25 -0.63 119.66 119.24 3bza s GLN 50 Ca -0.06 -0.33 0.02 0.00 0.02 0.00 0.00 55.36 55.01 3bza s GLN 50 Cb 0.04 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.34 3bza s GLN 50 CO 0.52 -0.17 -0.13 0.42 -2.12 0.00 0.00 175.29 173.81 3bza s ILE 51 N -1.57 1.23 -0.20 1.08 1.01 -0.38 -1.27 121.20 121.10 3bza s ILE 51 Ca -0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 3bza s ILE 51 Cb -0.05 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3bza s ILE 51 CO 0.02 0.38 0.04 -0.31 0.00 0.00 0.00 174.94 175.07 3bza s TYR 52 N 0.88 3.14 0.04 3.97 2.02 0.74 -0.67 117.35 127.48 3bza s TYR 52 Ca -0.10 -0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 3bza s TYR 52 Cb -0.15 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.29 3bza s TYR 52 CO 0.01 -0.05 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.27 3bza s LEU 53 N 0.75 2.17 0.10 -1.29 1.43 0.58 -0.59 118.68 121.83 3bza s LEU 53 Ca 0.02 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3bza s LEU 53 Cb -0.14 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 3bza s LEU 53 CO 0.02 0.08 -0.07 0.00 0.23 0.00 0.00 176.35 176.60 3bza s ARG 54 N -1.17 0.83 0.74 1.70 1.70 0.06 0.06 118.95 122.87 3bza s ARG 54 Ca 0.04 -1.28 -0.08 0.00 -0.47 0.00 0.00 55.73 53.93 3bza s ARG 54 Cb -0.08 -0.27 0.07 0.00 -0.57 0.00 0.00 34.95 34.09 3bza s ARG 54 CO 0.01 0.00 1.07 -1.54 -1.08 0.00 0.00 175.30 173.76 3bza s SER 55 N -2.88 4.72 0.39 -2.89 1.04 -1.26 -1.75 113.70 111.08 3bza s SER 55 Ca 0.10 0.56 0.09 0.00 0.48 0.00 0.00 55.95 57.18 3bza s SER 55 Cb 0.03 -1.16 0.87 0.00 0.10 0.00 0.00 66.02 65.86 3bza s SER 55 CO -0.03 -1.69 1.97 0.15 0.98 0.00 0.00 173.24 174.61 3bza h PHE 56 N -0.74 0.62 -0.22 5.02 3.57 -1.20 -2.84 116.94 121.15 3bza h PHE 56 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3bza h PHE 56 Cb 1.32 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.86 3bza h PHE 56 CO 0.33 0.31 0.00 0.39 -2.23 0.00 0.00 178.31 177.11 3bza n GLU 57 N -4.48 1.85 -2.47 1.11 1.02 -0.62 -1.86 120.64 115.20 3bza n GLU 57 Ca 0.10 -1.76 -0.38 0.00 -0.02 0.00 0.00 57.16 55.09 3bza n GLU 57 Cb 0.29 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.13 4.34 -0.01 3.49 2.56 -1.07 -4.76 118.70 122.12 3bza s GLU 58 Ca 0.23 1.69 0.07 0.00 0.00 0.00 0.00 54.97 56.96 3bza s GLU 58 Cb 0.14 -2.83 -0.10 0.00 2.00 0.00 0.00 34.13 33.33 3bza s GLU 58 CO 0.20 -0.03 0.17 1.97 -0.56 0.00 0.00 175.26 177.01 3bza n PHE 59 N 0.48 0.00 -1.47 5.30 -1.74 -1.26 -4.20 117.46 114.58 3bza n PHE 59 Ca 0.02 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.62 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 -2.37 2.30 0.31 1.97 -4.36 -1.26 -0.97 121.20 116.82 3bza s ILE 60 Ca -0.02 0.10 -0.01 0.00 -0.26 0.00 0.00 60.65 60.46 3bza s ILE 60 Cb 0.05 -2.79 0.26 0.00 1.25 0.00 0.00 42.46 41.22 3bza s ILE 60 CO 0.29 -0.13 1.97 -0.74 0.24 0.00 0.00 174.94 176.57 3bza h HIS 61 N -1.47 0.99 -2.85 1.37 -0.00 -1.60 -3.42 115.15 108.17 3bza h HIS 61 Ca -0.50 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.90 3bza h HIS 61 Cb 1.31 -0.33 -0.12 0.00 -0.00 0.00 0.00 27.41 28.27 3bza h HIS 61 CO 0.34 0.63 0.27 -3.38 -0.00 0.00 0.00 177.93 175.79 3bza s HIS 62 N -5.85 -0.48 -0.25 5.26 0.00 -1.26 -4.70 115.29 108.00 3bza s HIS 62 Ca -0.11 0.27 0.08 0.00 -3.00 0.00 0.00 55.06 52.30 3bza s HIS 62 Cb 0.18 0.56 -0.10 0.00 -4.00 0.00 0.00 32.58 29.22 3bza s HIS 62 CO 0.79 -0.81 0.29 0.09 -1.00 0.00 0.00 174.74 174.10 3bza n ASN 63 N -0.36 1.32 -3.69 7.38 5.03 0.11 -4.61 115.26 120.44 3bza n ASN 63 Ca -0.15 -0.45 -0.10 0.00 0.87 0.00 0.00 54.58 54.75 3bza n ASN 63 Cb 0.64 1.13 -0.10 0.00 -1.02 0.00 0.00 39.78 40.43 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 -2.79 -0.21 -0.17 3.41 2.96 -0.68 -1.93 118.68 119.26 3bza s LEU 64 Ca 0.01 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 3bza s LEU 64 Cb 0.06 1.43 0.01 0.00 0.50 0.00 0.00 46.19 48.19 3bza s LEU 64 CO 0.34 -0.20 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.31 3bza s VAL 65 N 1.52 2.47 -0.26 1.68 1.01 -0.08 -0.30 120.40 126.44 3bza s VAL 65 Ca -0.09 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3bza s VAL 65 Cb -0.08 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3bza s VAL 65 CO -0.13 0.51 0.24 -0.76 0.00 0.00 0.00 175.10 174.96 3bza s LEU 66 N 1.08 4.07 -0.16 3.92 1.43 0.16 -0.95 118.68 128.22 3bza s LEU 66 Ca -0.00 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 3bza s LEU 66 Cb -0.14 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.87 3bza s LEU 66 CO -0.05 -0.04 -0.18 -0.89 0.23 0.00 0.00 176.35 175.42 3bza s THR 67 N 1.53 2.37 0.29 5.49 2.01 -0.00 -1.25 115.64 126.08 3bza s THR 67 Ca 0.10 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 3bza s THR 67 Cb -0.15 -1.99 -0.11 0.00 0.01 0.00 0.00 72.50 70.26 3bza s THR 67 CO 0.08 0.52 1.49 -0.75 -0.69 0.00 0.00 174.62 175.28 3bza s LYS 68 N 1.01 4.20 0.18 4.92 2.20 0.20 -0.81 119.74 131.64 3bza s LYS 68 Ca -0.02 2.44 -0.24 0.00 -0.36 0.00 0.00 55.97 57.79 3bza s LYS 68 Cb -0.15 -3.05 0.06 0.00 -1.51 0.00 0.00 37.83 33.18 3bza s LYS 68 CO -0.05 -0.50 0.93 0.20 -0.36 0.00 0.00 175.35 175.58 3bza s GLY 69 N 0.26 -0.15 0.27 5.54 0.00 -0.40 -4.83 107.32 108.01 3bza s GLY 69 Ca 0.59 -0.02 0.13 0.00 0.00 0.00 0.00 44.72 45.43 3bza s GLY 69 CO 0.49 0.23 1.53 -0.56 0.00 0.00 0.00 173.10 174.79 3bza h PRO 70 N 2.00 0.00 -3.96 2.90 0.13 -1.93 -3.37 132.00 127.77 3bza h PRO 70 Ca -0.24 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.39 3bza h PRO 70 Cb 1.23 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 3bza h PRO 70 CO 0.27 0.60 -0.78 0.08 -0.23 0.00 0.00 178.00 177.94 3bza s VAL 71 N -3.22 0.76 0.23 1.56 1.01 -1.26 -4.96 120.40 114.51 3bza s VAL 71 Ca 0.01 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 3bza s VAL 71 Cb 0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 36.38 35.46 3bza s VAL 71 CO 0.75 0.23 1.64 0.00 0.00 0.00 0.00 175.10 177.71 3bza s ALA 72 N 1.80 3.84 -0.06 5.51 0.00 -1.26 -4.78 121.76 126.81 3bza s ALA 72 Ca 0.04 1.53 -0.31 0.00 0.00 0.00 0.00 51.96 53.22 3bza s ALA 72 Cb -0.13 -3.66 0.11 0.00 0.00 0.00 0.00 23.12 19.44 3bza s ALA 72 CO -0.07 -0.91 1.11 0.00 0.00 0.00 0.00 175.76 175.89 3bza s ALA 73 N 0.76 -1.98 -0.07 0.00 0.00 -1.01 -4.48 121.76 114.98 3bza s ALA 73 Ca 0.70 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 53.40 3bza s ALA 73 Cb -0.48 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3bza s ALA 73 CO 0.37 -0.78 1.21 -1.17 0.00 0.00 0.00 175.76 175.39 3bza s LEU 74 N -2.54 4.27 -0.10 0.00 2.96 0.71 -0.42 118.68 123.57 3bza s LEU 74 Ca 0.10 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.83 3bza s LEU 74 Cb 0.00 -3.56 -0.25 0.00 0.50 0.00 0.00 46.19 42.89 3bza s LEU 74 CO -0.05 -0.60 0.45 1.17 -1.32 0.00 0.00 176.35 176.00 3bza n LYS 75 N 5.34 0.71 -3.63 1.98 4.81 -0.01 -0.42 118.16 126.93 3bza n LYS 75 Ca 0.11 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.70 3bza n LYS 75 Cb 0.46 -1.73 -0.07 0.00 0.02 0.00 0.00 35.03 33.71 3bza n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bza s ALA 76 N -2.57 -1.87 -0.24 3.14 0.00 -1.05 -4.77 121.76 114.40 3bza s ALA 76 Ca -0.16 1.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.73 3bza s ALA 76 Cb 0.07 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3bza s ALA 76 CO 0.79 -0.30 0.02 -1.64 0.00 0.00 0.00 175.76 174.63 3bza s MET 77 N 0.36 3.49 -0.09 0.00 -1.94 -0.02 -0.45 119.30 120.64 3bza s MET 77 Ca 0.01 -0.57 -0.01 0.00 -1.71 0.00 0.00 55.69 53.41 3bza s MET 77 Cb -0.05 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.57 3bza s MET 77 CO -0.03 -0.21 -0.04 0.00 -0.01 0.00 0.00 175.02 174.73 3bza s ALA 78 N 1.54 3.08 -0.09 3.03 0.00 0.42 -0.70 121.76 129.04 3bza s ALA 78 Ca 0.06 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3bza s ALA 78 Cb -0.15 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 3bza s ALA 78 CO 0.00 0.50 -0.21 -0.06 0.00 0.00 0.00 175.76 175.98 3bza s PHE 79 N -0.56 2.57 0.16 0.00 0.08 0.11 -0.69 117.98 119.66 3bza s PHE 79 Ca 0.09 -0.77 -0.27 0.00 0.12 0.00 0.00 56.93 56.09 3bza s PHE 79 Cb -0.12 -1.69 -0.08 0.00 -0.57 0.00 0.00 43.02 40.57 3bza s PHE 79 CO 0.02 -0.25 0.85 0.50 -0.10 0.00 0.00 175.22 176.24 3bza s ARG 80 N 0.06 4.67 0.35 0.44 3.52 -0.70 -2.85 118.95 124.44 3bza s ARG 80 Ca -0.09 1.30 0.07 0.00 -0.13 0.00 0.00 55.73 56.88 3bza s ARG 80 Cb -0.15 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 3bza s ARG 80 CO 0.06 0.46 0.33 0.14 -0.81 0.00 0.00 175.30 175.47 3bza s VAL 81 N -0.83 3.43 0.14 7.11 -7.23 0.26 -0.19 120.40 123.09 3bza s VAL 81 Ca 0.39 -1.33 -0.08 0.00 -1.81 0.00 0.00 61.98 59.16 3bza s VAL 81 Cb -0.24 -3.17 -0.13 0.00 0.56 0.00 0.00 36.38 33.41 3bza s VAL 81 CO 0.28 -0.14 1.37 -0.09 -0.31 0.00 0.00 175.10 176.21 3bza h ARG 82 N 1.17 0.66 -4.49 4.82 2.43 -1.43 -3.42 114.38 114.12 3bza h ARG 82 Ca -0.44 -0.52 -0.19 0.00 -0.81 0.00 0.00 59.98 58.02 3bza h ARG 82 Cb 1.26 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.76 3bza h ARG 82 CO 0.57 1.14 -0.68 0.95 -1.51 0.00 0.00 179.97 180.44 3bza s THR 83 N -3.76 0.46 0.28 0.20 -4.23 -1.26 -5.04 115.64 102.29 3bza s THR 83 Ca -0.09 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3bza s THR 83 Cb 0.10 -1.69 0.26 0.00 1.34 0.00 0.00 72.50 72.51 3bza s THR 83 CO 0.88 -0.85 1.75 -0.65 -0.54 0.00 0.00 174.62 175.21 3bza h PRO 84 N 3.00 0.60 -0.19 3.99 0.11 -1.96 -0.75 132.00 136.81 3bza h PRO 84 Ca -0.35 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.78 3bza h PRO 84 Cb 1.16 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3bza h PRO 84 CO 0.65 0.40 0.20 1.05 -0.21 0.00 0.00 178.00 180.08 3bza h GLU 85 N 0.62 0.00 0.00 1.05 4.11 -2.00 -1.04 114.58 117.32 3bza h GLU 85 Ca 0.51 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.91 3bza h GLU 85 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3bza h GLU 85 CO -0.39 0.00 -0.11 -0.44 0.07 0.00 0.00 179.01 178.13 3bza h ASP 86 N 0.00 0.00 -0.32 3.06 3.32 -1.53 -1.25 116.42 119.70 3bza h ASP 86 Ca 0.09 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 3bza h ASP 86 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3bza h ASP 86 CO -0.00 0.11 -0.41 0.58 -1.72 0.00 0.00 179.24 177.80 3bza h VAL 87 N 0.00 1.28 -0.35 -1.35 2.07 -1.28 -0.73 116.25 115.89 3bza h VAL 87 Ca -0.00 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 65.95 3bza h VAL 87 Cb 0.62 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3bza h VAL 87 CO 0.01 0.52 0.20 0.44 0.02 0.00 0.00 177.57 178.76 3bza h ASP 88 N 0.63 0.31 -0.81 0.57 3.32 -1.50 -2.03 116.42 116.90 3bza h ASP 88 Ca 0.04 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.17 3bza h ASP 88 Cb 1.01 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.44 3bza h ASP 88 CO 0.10 0.22 0.48 0.11 -1.72 0.00 0.00 179.24 178.43 3bza h LYS 89 N 0.40 0.83 -0.67 3.56 1.57 -1.12 -1.55 116.57 119.59 3bza h LYS 89 Ca 0.14 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3bza h LYS 89 Cb 0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3bza h LYS 89 CO -0.08 0.55 0.19 0.00 -0.57 0.00 0.00 179.45 179.54 3bza h ALA 90 N 1.41 1.07 0.02 3.86 0.00 -0.88 0.07 119.26 124.81 3bza h ALA 90 Ca 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bza h ALA 90 Cb 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3bza h ALA 90 CO -0.20 0.62 -0.01 1.49 0.00 0.00 0.00 179.25 181.15 3bza h GLU 91 N 1.00 -0.02 -0.92 0.00 4.81 -0.84 -1.54 114.58 117.07 3bza h GLU 91 Ca 0.22 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3bza h GLU 91 Cb 0.31 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3bza h GLU 91 CO -0.00 0.21 0.58 0.00 -0.73 0.00 0.00 179.01 179.07 3bza h ALA 92 N 0.73 1.26 0.05 2.92 0.00 -1.14 -0.79 119.26 122.29 3bza h ALA 92 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bza h ALA 92 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3bza h ALA 92 CO 0.00 0.37 -0.02 -0.92 0.00 0.00 0.00 179.25 178.68 3bza h TYR 93 N 1.07 -0.06 0.00 0.00 3.20 -0.84 -1.52 116.97 118.83 3bza h TYR 93 Ca 0.39 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.14 3bza h TYR 93 Cb 0.14 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3bza h TYR 93 CO -0.02 0.22 -0.57 1.88 -1.64 0.00 0.00 178.16 178.03 3bza h TYR 94 N -0.34 0.00 -0.27 -3.82 0.05 -1.19 -1.99 116.97 109.42 3bza h TYR 94 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3bza h TYR 94 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3bza h TYR 94 CO 0.02 0.57 0.07 1.96 -1.05 0.00 0.00 178.16 179.73 3bza h GLN 95 N 0.00 0.43 -0.50 4.88 4.20 -1.11 -0.94 115.11 122.07 3bza h GLN 95 Ca -0.01 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3bza h GLN 95 Cb 1.05 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3bza h GLN 95 CO 0.07 0.52 0.33 1.49 -0.67 0.00 0.00 178.83 180.57 3bza h GLU 96 N 0.26 0.64 0.00 1.46 4.81 -1.09 0.44 114.58 121.10 3bza h GLU 96 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3bza h GLU 96 Cb 0.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3bza h GLU 96 CO 0.00 0.42 0.00 1.28 -0.73 0.00 0.00 179.01 179.98 3bza n LEU 97 N -4.46 0.31 0.00 1.64 4.77 -0.76 -4.89 117.00 113.61 3bza n LEU 97 Ca 0.05 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 3bza n LEU 97 Cb 0.06 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3bza n LEU 97 CO 0.35 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3bza n GLY 98 N -0.25 0.39 3.87 -0.72 0.00 0.15 -5.04 105.19 103.59 3bza n GLY 98 Ca 0.02 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.44 4.22 0.14 0.00 0.52 -1.26 -4.51 118.95 115.61 3bza s ARG 100 Ca 0.42 2.38 0.06 0.00 -0.52 0.00 0.00 55.73 58.06 3bza s ARG 100 Cb -0.13 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 3bza s ARG 100 CO 0.21 -0.57 -0.13 0.95 0.02 0.00 0.00 175.30 175.77 3bza s THR 101 N 0.78 1.34 -0.08 0.02 -4.23 -1.26 -1.50 115.64 110.71 3bza s THR 101 Ca 0.67 -1.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 3bza s THR 101 Cb -0.44 -1.67 0.04 0.00 1.34 0.00 0.00 72.50 71.77 3bza s THR 101 CO 0.35 -0.52 0.17 -0.70 -0.54 0.00 0.00 174.62 173.38 3bza s GLU 102 N -3.07 0.10 -0.13 3.99 2.12 0.33 -4.99 118.70 117.06 3bza s GLU 102 Ca 0.13 0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.92 3bza s GLU 102 Cb -0.02 -0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 3bza s GLU 102 CO 0.03 -0.20 -0.17 0.50 -0.54 0.00 0.00 175.26 174.88 3bza s ARG 103 N 1.46 3.23 -0.17 4.30 6.06 -1.26 -0.73 118.95 131.84 3bza s ARG 103 Ca -0.06 -0.77 -0.01 0.00 -2.50 0.00 0.00 55.73 52.39 3bza s ARG 103 Cb -0.11 -2.53 0.04 0.00 0.06 0.00 0.00 34.95 32.41 3bza s ARG 103 CO -0.07 0.13 -0.03 1.03 -2.50 0.00 0.00 175.30 173.86 3bza s ARG 104 N 0.51 1.24 0.62 5.12 0.52 -0.45 -5.01 118.95 121.51 3bza s ARG 104 Ca -0.11 -0.47 0.38 0.00 -0.52 0.00 0.00 55.73 55.01 3bza s ARG 104 Cb -0.16 -1.96 2.04 0.00 0.52 0.00 0.00 34.95 35.39 3bza s ARG 104 CO 0.04 -0.46 2.26 1.57 0.02 0.00 0.00 175.30 178.73 3bza h LYS 105 N 8.15 0.00 -0.25 3.54 2.10 -1.88 -1.12 116.57 127.11 3bza h LYS 105 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 3bza h LYS 105 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3bza h LYS 105 CO 0.38 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.60 3bza n ASP 106 N -3.31 2.91 0.00 7.07 8.00 -1.26 -2.20 116.55 127.76 3bza n ASP 106 Ca -0.02 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.21 3bza n ASP 106 Cb 0.13 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 0.02 -1.01 0.05 0.44 0.00 -0.80 -4.66 105.19 99.23 3bza n GLY 107 Ca 0.12 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.88 0.28 -4.18 1.61 3.72 -1.26 -4.92 117.46 111.83 3bza n PHE 108 Ca 0.00 0.09 -0.12 0.00 -0.05 0.00 0.00 57.45 57.37 3bza n PHE 108 Cb 0.00 -0.74 -0.10 0.00 -0.94 0.00 0.00 39.48 37.70 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 -3.23 0.80 0.42 -4.37 -7.23 -1.26 -5.12 120.40 100.40 3bza s VAL 109 Ca -0.07 -1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 57.98 3bza s VAL 109 Cb 0.11 -1.61 -0.10 0.00 0.56 0.00 0.00 36.38 35.35 3bza s VAL 109 CO 0.86 -0.78 1.35 0.29 -0.31 0.00 0.00 175.10 176.51 3bza n LYS 110 N 0.10 2.13 -0.78 4.82 5.02 -1.26 -2.89 118.16 125.30 3bza n LYS 110 Ca -0.13 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 3bza n LYS 110 Cb 0.60 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 3bza n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bza n GLY 111 N 0.70 0.78 3.25 0.72 0.00 -1.26 -4.96 105.19 104.42 3bza n GLY 111 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.94 1.90 0.00 -0.61 -1.09 -1.14 -1.07 121.20 116.25 3bza s ILE 112 Ca 0.00 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 3bza s ILE 112 Cb 0.00 -1.59 0.00 0.00 -1.58 0.00 0.00 42.46 39.29 3bza s ILE 112 CO 0.00 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 3bza n GLY 113 N 2.75 1.52 3.65 6.18 0.00 0.31 -3.89 105.19 115.72 3bza n GLY 113 Ca -0.17 -1.45 -0.51 0.00 0.00 0.00 0.00 46.02 43.89 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 2.48 -3.83 1.61 2.03 -0.94 -2.29 116.55 115.61 3bza n ASP 114 Ca 0.00 1.07 -0.12 0.00 0.52 0.00 0.00 54.79 56.26 3bza n ASP 114 Cb 0.00 -1.27 -0.11 0.00 -0.72 0.00 0.00 41.12 39.03 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 1.95 -0.46 -0.15 -1.67 0.00 -0.49 -4.05 121.76 116.88 3bza s ALA 115 Ca 0.88 0.24 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3bza s ALA 115 Cb -0.87 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3bza s ALA 115 CO 0.50 -0.17 -0.19 -1.17 0.00 0.00 0.00 175.76 174.73 3bza s LEU 116 N -0.71 2.24 -0.02 0.00 2.96 -0.21 -1.34 118.68 121.60 3bza s LEU 116 Ca -0.08 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 3bza s LEU 116 Cb -0.05 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3bza s LEU 116 CO 0.01 0.07 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.92 3bza s ARG 117 N 0.88 2.63 0.05 1.98 0.52 0.09 -0.49 118.95 124.61 3bza s ARG 117 Ca -0.05 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 3bza s ARG 117 Cb -0.15 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3bza s ARG 117 CO -0.03 0.62 -0.07 0.14 0.02 0.00 0.00 175.30 175.98 3bza s VAL 118 N -0.95 0.51 -0.52 3.52 -7.23 0.06 -0.51 120.40 115.28 3bza s VAL 118 Ca 0.16 -1.19 -0.20 0.00 -1.81 0.00 0.00 61.98 58.94 3bza s VAL 118 Cb -0.11 -0.73 0.06 0.00 0.56 0.00 0.00 36.38 36.15 3bza s VAL 118 CO 0.06 -0.47 0.70 -1.61 -0.31 0.00 0.00 175.10 173.48 3bza s GLU 119 N -1.90 3.17 0.89 4.82 2.02 -0.56 -2.05 118.70 125.08 3bza s GLU 119 Ca -0.07 -0.76 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 3bza s GLU 119 Cb -0.08 -4.09 0.13 0.00 0.10 0.00 0.00 34.13 30.19 3bza s GLU 119 CO -0.01 -1.30 1.20 0.16 0.02 0.00 0.00 175.26 175.33 3bza s ASP 120 N 2.76 3.74 0.66 -0.19 -4.77 -0.07 -4.10 116.67 114.70 3bza s ASP 120 Ca 0.18 0.71 0.38 0.00 -3.30 0.00 0.00 52.55 50.53 3bza s ASP 120 Cb -0.18 -1.11 2.10 0.00 -1.09 0.00 0.00 42.92 42.64 3bza s ASP 120 CO 0.13 -2.38 2.20 -0.65 0.70 0.00 0.00 175.17 175.18 3bza h PRO 121 N -1.39 0.00 -0.29 2.11 0.11 -1.96 0.15 132.00 130.73 3bza h PRO 121 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bza h PRO 121 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3bza h PRO 121 CO 0.57 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.64 3bza n LEU 122 N -3.10 2.99 0.00 2.35 4.77 -1.26 -4.94 117.00 117.80 3bza n LEU 122 Ca -0.02 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 3bza n LEU 122 Cb 0.19 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3bza n LEU 122 CO 0.19 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3bza n GLY 123 N 1.40 0.79 3.87 -0.72 0.00 0.04 -4.17 105.19 106.40 3bza n GLY 123 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.16 3.62 -0.83 1.61 0.08 -1.26 -4.69 117.98 114.36 3bza s PHE 124 Ca 0.00 0.71 -0.24 0.00 0.12 0.00 0.00 56.93 57.52 3bza s PHE 124 Cb 0.00 -2.09 0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3bza s PHE 124 CO 0.00 0.63 1.24 -1.25 -0.10 0.00 0.00 175.22 175.74 3bza s PRO 125 N -1.46 3.34 0.09 0.24 0.04 -1.26 -0.89 135.00 135.10 3bza s PRO 125 Ca 0.25 -0.82 -0.17 0.00 0.04 0.00 0.00 61.00 60.30 3bza s PRO 125 Cb -0.14 -4.62 -0.07 0.00 0.04 0.00 0.00 34.50 29.71 3bza s PRO 125 CO 0.13 -2.05 0.55 0.71 0.04 0.00 0.00 177.00 176.38 3bza s TYR 126 N 4.76 3.73 0.00 0.56 1.51 -0.87 -0.84 117.35 126.21 3bza s TYR 126 Ca 0.35 1.18 0.06 0.00 -1.01 0.00 0.00 57.07 57.64 3bza s TYR 126 Cb -0.07 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 3bza s TYR 126 CO 0.04 0.54 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.85 3bza s GLU 127 N -1.39 2.24 -0.07 -0.62 2.12 0.13 -0.76 118.70 120.34 3bza s GLU 127 Ca 0.31 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.81 3bza s GLU 127 Cb -0.18 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.97 3bza s GLU 127 CO 0.18 0.57 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.24 3bza s PHE 128 N -0.84 1.89 0.08 5.30 0.08 0.36 -0.72 117.98 124.14 3bza s PHE 128 Ca 0.13 -0.68 -0.15 0.00 0.12 0.00 0.00 56.93 56.35 3bza s PHE 128 Cb -0.11 -1.30 0.03 0.00 -0.57 0.00 0.00 43.02 41.07 3bza s PHE 128 CO 0.03 -0.29 0.35 -0.59 -0.10 0.00 0.00 175.22 174.62 3bza s PHE 129 N 0.38 -0.14 -0.07 0.36 -0.71 -1.13 -1.05 117.98 115.61 3bza s PHE 129 Ca -0.13 -0.08 -0.07 0.00 -1.04 0.00 0.00 56.93 55.62 3bza s PHE 129 Cb -0.15 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 3bza s PHE 129 CO 0.05 -0.60 -0.15 0.34 -1.34 0.00 0.00 175.22 173.53 3bza n PHE 130 N 0.18 0.00 -1.95 3.49 7.35 -1.26 -0.57 117.46 124.70 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 -0.32 -0.03 0.00 0.35 0.00 0.00 39.48 40.09 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 4.21 -0.05 -4.13 2.02 -1.26 -4.92 118.70 112.28 3bza s GLU 131 Ca -0.14 2.31 -0.13 0.00 0.02 0.00 0.00 54.97 57.02 3bza s GLU 131 Cb 0.04 -3.56 0.03 0.00 0.10 0.00 0.00 34.13 30.74 3bza s GLU 131 CO 0.19 -0.71 0.31 -0.08 0.02 0.00 0.00 175.26 174.99 3bza s THR 132 N 2.48 0.04 -0.15 3.63 -1.32 -1.26 -0.53 115.64 118.52 3bza s THR 132 Ca 0.73 -0.32 -0.29 0.00 -1.21 0.00 0.00 61.69 60.60 3bza s THR 132 Cb -0.39 -0.55 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 3bza s THR 132 CO 0.32 -0.17 1.38 -0.89 -2.21 0.00 0.00 174.62 173.05 3bza s THR 133 N -0.80 4.06 0.32 5.08 2.01 -0.23 -4.87 115.64 121.21 3bza s THR 133 Ca -0.09 1.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.90 3bza s THR 133 Cb -0.04 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 3bza s THR 133 CO 0.03 -0.15 1.15 -1.00 -0.69 0.00 0.00 174.62 173.96 3bza s HIS 134 N 3.81 3.36 0.42 4.92 3.76 -1.26 -1.81 115.29 128.48 3bza s HIS 134 Ca 0.60 1.61 0.03 0.00 -0.15 0.00 0.00 55.06 57.16 3bza s HIS 134 Cb -0.24 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.02 3bza s HIS 134 CO 0.20 -0.97 0.06 0.14 -0.85 0.00 0.00 174.74 173.32 3bza s VAL 135 N -1.22 1.09 0.00 -0.90 -7.23 -0.14 -4.92 120.40 107.08 3bza s VAL 135 Ca 0.48 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 3bza s VAL 135 Cb -0.33 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.03 3bza s VAL 135 CO 0.43 0.00 1.94 -0.70 -0.31 0.00 0.00 175.10 176.46 3bza s GLU 136 N -3.80 4.06 -0.22 4.82 2.12 -1.26 -4.78 118.70 119.65 3bza s GLU 136 Ca 0.24 2.50 -0.29 0.00 0.36 0.00 0.00 54.97 57.77 3bza s GLU 136 Cb 0.05 -4.16 -0.00 0.00 0.26 0.00 0.00 34.13 30.28 3bza s GLU 136 CO 0.12 -1.04 1.16 0.50 -0.54 0.00 0.00 175.26 175.46 3bza s ARG 137 N 4.57 4.21 -0.15 4.30 3.52 -1.26 -4.87 118.95 129.27 3bza s ARG 137 Ca 0.87 1.46 0.10 0.00 -0.13 0.00 0.00 55.73 58.03 3bza s ARG 137 Cb -0.40 -3.72 0.55 0.00 -1.56 0.00 0.00 34.95 29.81 3bza s ARG 137 CO 0.39 -0.72 1.35 1.28 -0.81 0.00 0.00 175.30 176.79 3bza n LEU 138 N 6.59 4.08 0.30 -0.88 4.77 -1.02 -4.56 117.00 126.28 3bza n LEU 138 Ca 0.13 -2.07 0.17 0.00 -0.03 0.00 0.00 56.01 54.21 3bza n LEU 138 Cb 0.46 -0.60 0.92 0.00 -2.33 0.00 0.00 43.42 41.87 3bza n LEU 138 CO 0.55 0.52 1.08 1.12 -1.33 0.00 0.00 177.39 179.33 3bza h HIS 139 N 2.73 0.00 -0.15 -1.77 2.07 -1.67 -0.48 115.15 115.89 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 1.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.41 3bza h HIS 139 CO 0.71 0.04 0.00 -1.33 -3.07 0.00 0.00 177.93 174.28 3bza n MET 140 N -3.44 2.46 -1.61 5.12 2.81 -1.26 -4.84 117.12 116.36 3bza n MET 140 Ca -0.02 -2.31 -0.40 0.00 -1.81 0.00 0.00 57.70 53.16 3bza n MET 140 Cb 0.16 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 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 -0.57 3.57 0.14 0.03 5.12 -0.19 -4.69 116.66 120.07 3bza n ARG 141 Ca 0.13 -2.60 0.11 0.00 -1.93 0.00 0.00 57.85 53.57 3bza n ARG 141 Cb 0.58 -2.93 0.51 0.00 -1.16 0.00 0.00 32.46 29.47 3bza n ARG 141 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3bza n TYR 142 N 4.10 0.74 0.31 -1.55 4.01 -1.26 -0.24 117.16 123.26 3bza n TYR 142 Ca 0.66 0.33 0.20 0.00 -0.16 0.00 0.00 57.90 58.92 3bza n TYR 142 Cb 0.29 -1.03 0.92 0.00 -0.31 0.00 0.00 39.34 39.21 3bza n TYR 142 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3bza h ASP 143 N 0.00 0.00 0.00 7.72 2.03 -1.98 -3.01 116.42 121.18 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 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3bza h ASP 143 CO 0.00 0.00 -0.84 0.18 -1.03 0.00 0.00 179.24 177.55 3bza n LEU 144 N -3.08 0.73 -4.67 0.15 4.77 0.67 -5.02 117.00 110.55 3bza n LEU 144 Ca -0.01 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 3bza n LEU 144 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3bza n LEU 144 CO 0.24 0.18 1.45 -0.47 -1.33 0.00 0.00 177.39 177.46 3bza s TYR 145 N -2.60 1.86 0.36 -1.77 5.04 -1.07 -4.99 117.35 114.18 3bza s TYR 145 Ca 0.05 -0.03 -0.15 0.00 -2.44 0.00 0.00 57.07 54.51 3bza s TYR 145 Cb 0.12 -4.07 -0.09 0.00 0.35 0.00 0.00 41.96 38.28 3bza s TYR 145 CO 0.68 -4.55 0.77 0.45 -1.34 0.00 0.00 175.55 171.56 3bza s SER 146 N 3.43 6.73 0.40 4.32 0.15 -1.26 -4.97 113.70 122.50 3bza s SER 146 Ca 0.79 1.30 0.28 0.00 0.70 0.00 0.00 55.95 59.02 3bza s SER 146 Cb -0.39 -2.38 1.41 0.00 -1.71 0.00 0.00 66.02 62.94 3bza s SER 146 CO 0.35 -0.28 1.85 0.00 1.20 0.00 0.00 173.24 176.36 3bza h ALA 147 N 1.96 1.00 -0.22 5.45 0.00 -1.96 -1.74 119.26 123.75 3bza h ALA 147 Ca -0.48 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3bza h ALA 147 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3bza h ALA 147 CO 0.64 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 180.12 3bza n GLY 148 N -0.85 4.90 3.68 0.00 0.00 -1.26 -4.36 105.19 107.30 3bza n GLY 148 Ca -0.01 -1.23 -0.46 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.10 2.32 -2.87 1.61 4.07 -0.66 -4.90 120.64 119.13 3bza n GLU 149 Ca 0.27 0.84 -0.42 0.00 -0.06 0.00 0.00 57.16 57.79 3bza n GLU 149 Cb 0.90 -2.66 -0.04 0.00 -0.06 0.00 0.00 31.44 29.58 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 1.93 4.05 -0.19 4.31 1.43 -1.26 -4.44 118.68 124.52 3bza s LEU 150 Ca 0.82 0.74 0.16 0.00 -1.03 0.00 0.00 54.13 54.82 3bza s LEU 150 Cb -0.63 -3.19 -0.24 0.00 0.03 0.00 0.00 46.19 42.15 3bza s LEU 150 CO 0.40 -0.69 0.11 1.33 0.23 0.00 0.00 176.35 177.73 3bza n VAL 151 N 5.64 1.42 -3.80 -1.59 0.24 0.55 -1.20 118.33 119.59 3bza n VAL 151 Ca 0.06 -0.83 -0.12 0.00 -2.04 0.00 0.00 64.34 61.41 3bza n VAL 151 Cb 0.48 -0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 32.17 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 -2.50 0.67 -0.01 7.34 0.52 -1.24 -1.58 118.95 122.15 3bza s ARG 152 Ca -0.11 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 3bza s ARG 152 Cb 0.06 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.79 3bza s ARG 152 CO 0.81 -0.19 1.06 -1.17 0.02 0.00 0.00 175.30 175.83 3bza s LEU 153 N -1.69 4.34 -0.23 2.53 2.96 -1.26 -0.29 118.68 125.03 3bza s LEU 153 Ca -0.10 1.74 -0.08 0.00 -0.22 0.00 0.00 54.13 55.47 3bza s LEU 153 Cb -0.04 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.97 3bza s LEU 153 CO 0.00 -0.37 -0.28 -0.67 -1.32 0.00 0.00 176.35 173.72 3bza n ASP 154 N 4.21 1.82 -3.75 3.68 2.03 0.11 -4.86 116.55 119.78 3bza n ASP 154 Ca 0.08 0.18 -0.04 0.00 0.52 0.00 0.00 54.79 55.53 3bza n ASP 154 Cb 0.49 -0.60 -0.01 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.43 -0.16 0.29 -0.67 -3.43 -1.11 -4.55 115.29 103.24 3bza s HIS 155 Ca -0.32 -0.16 0.08 0.00 -0.80 0.00 0.00 55.06 53.86 3bza s HIS 155 Cb 0.11 0.64 -0.04 0.00 -1.43 0.00 0.00 32.58 31.87 3bza s HIS 155 CO 0.44 -0.87 0.15 -0.06 -2.00 0.00 0.00 174.74 172.40 3bza s PHE 156 N -3.37 2.86 -0.03 0.38 0.08 -0.71 -0.62 117.98 116.57 3bza s PHE 156 Ca 0.12 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.92 3bza s PHE 156 Cb -0.02 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 3bza s PHE 156 CO 0.02 0.43 0.00 1.21 -0.10 0.00 0.00 175.22 176.79 3bza s ASN 157 N -3.83 0.57 -0.08 1.36 3.84 -0.18 -2.66 114.94 113.97 3bza s ASN 157 Ca 0.35 -0.03 0.02 0.00 0.21 0.00 0.00 52.86 53.42 3bza s ASN 157 Cb -0.06 -0.24 -0.02 0.00 -0.55 0.00 0.00 41.25 40.38 3bza s ASN 157 CO 0.23 -0.12 -0.12 -1.10 -2.79 0.00 0.00 177.10 173.21 3bza s GLN 158 N 1.17 2.83 -0.18 0.43 -0.21 0.58 0.14 119.66 124.42 3bza s GLN 158 Ca -0.08 -0.66 -0.15 0.00 0.02 0.00 0.00 55.36 54.49 3bza s GLN 158 Cb -0.13 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 3bza s GLN 158 CO -0.02 0.51 0.37 0.08 -2.12 0.00 0.00 175.29 174.10 3bza s VAL 159 N -0.41 5.23 -0.08 1.09 1.01 0.50 -0.09 120.40 127.65 3bza s VAL 159 Ca 0.05 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 3bza s VAL 159 Cb -0.12 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.58 3bza s VAL 159 CO 0.02 0.30 0.30 0.28 0.00 0.00 0.00 175.10 176.00 3bza s THR 160 N 0.99 0.02 0.24 3.92 -1.32 -0.70 -2.34 115.64 116.45 3bza s THR 160 Ca 0.19 -0.16 0.13 0.00 -1.21 0.00 0.00 61.69 60.64 3bza s THR 160 Cb -0.14 -0.48 0.04 0.00 -1.51 0.00 0.00 72.50 70.41 3bza s THR 160 CO 0.07 -0.09 1.67 1.55 -2.21 0.00 0.00 174.62 175.61 3bza h PRO 161 N 5.14 0.00 -4.03 7.08 0.13 -1.53 -1.80 132.00 136.98 3bza h PRO 161 Ca -0.27 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.21 3bza h PRO 161 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 3bza h PRO 161 CO 0.34 0.52 -0.69 0.34 -0.23 0.00 0.00 178.00 178.28 3bza s ASP 162 N -6.71 4.48 0.05 1.44 -1.08 -1.26 -4.55 116.67 109.03 3bza s ASP 162 Ca -0.01 -2.45 -0.21 0.00 -0.52 0.00 0.00 52.55 49.37 3bza s ASP 162 Cb 0.12 -1.53 -0.13 0.00 -1.46 0.00 0.00 42.92 39.92 3bza s ASP 162 CO 0.73 -0.32 1.43 0.58 0.52 0.00 0.00 175.17 178.11 3bza h VAL 163 N 6.12 1.30 -0.83 1.11 2.07 -1.83 -2.54 116.25 121.65 3bza h VAL 163 Ca -0.06 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 66.50 3bza h VAL 163 Cb 0.97 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 3bza h VAL 163 CO 0.57 0.31 0.54 -0.65 0.02 0.00 0.00 177.57 178.36 3bza h PRO 164 N 0.01 0.78 0.01 1.57 0.11 -1.95 0.15 132.00 132.68 3bza h PRO 164 Ca 0.04 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3bza h PRO 164 Cb 0.50 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3bza h PRO 164 CO 0.02 0.52 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.23 3bza h ARG 165 N 0.81 -0.01 -0.69 1.05 2.43 -1.97 -1.89 114.38 114.11 3bza h ARG 165 Ca 0.38 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3bza h ARG 165 Cb 0.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3bza h ARG 165 CO -0.15 0.15 0.33 0.78 -1.51 0.00 0.00 179.97 179.57 3bza h GLY 166 N -0.16 1.06 0.81 2.80 0.00 -1.09 -3.02 103.07 103.47 3bza h GLY 166 Ca -0.00 -0.53 0.03 0.00 0.00 0.00 0.00 47.33 46.84 3bza h GLY 166 CO 0.00 0.50 0.31 -0.09 0.00 0.00 0.00 176.54 177.27 3bza h ARG 167 N 0.96 0.60 -0.39 4.80 2.43 -0.52 -1.04 114.38 121.22 3bza h ARG 167 Ca 0.24 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3bza h ARG 167 Cb 0.12 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3bza h ARG 167 CO -0.03 0.39 0.21 -0.22 -1.51 0.00 0.00 179.97 178.81 3bza h LYS 168 N 0.61 0.55 -0.38 0.20 3.11 -1.30 -0.12 116.57 119.24 3bza h LYS 168 Ca 0.23 -0.07 0.05 0.00 -2.81 0.00 0.00 60.65 58.05 3bza h LYS 168 Cb 0.07 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.15 3bza h LYS 168 CO -0.12 0.45 0.13 -0.92 -2.81 0.00 0.00 179.45 176.18 3bza h TYR 169 N 0.50 0.24 -0.12 1.91 3.20 -1.37 -1.26 116.97 120.07 3bza h TYR 169 Ca 0.14 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3bza h TYR 169 Cb 0.07 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3bza h TYR 169 CO -0.02 0.10 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.18 3bza h LEU 170 N 0.29 0.24 -0.40 2.82 3.38 -0.84 -1.62 115.31 119.18 3bza h LEU 170 Ca 0.18 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3bza h LEU 170 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3bza h LEU 170 CO -0.18 0.57 0.01 -0.33 0.09 0.00 0.00 178.44 178.60 3bza h GLU 171 N 0.21 0.70 -0.51 1.13 5.08 -0.71 -0.89 114.58 119.58 3bza h GLU 171 Ca 0.03 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3bza h GLU 171 Cb 0.70 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3bza h GLU 171 CO 0.05 0.79 0.32 -0.44 -1.00 0.00 0.00 179.01 178.73 3bza h ASP 172 N 0.54 0.60 0.69 1.42 3.32 -0.97 -0.05 116.42 121.97 3bza h ASP 172 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3bza h ASP 172 Cb 0.46 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3bza h ASP 172 CO 0.02 0.46 0.00 -0.11 -1.72 0.00 0.00 179.24 177.88 3bza n LEU 173 N -4.44 0.46 0.00 1.55 7.94 -0.63 -4.77 117.00 117.11 3bza n LEU 173 Ca 0.05 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 3bza n LEU 173 Cb 0.07 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.48 3bza n LEU 173 CO 0.36 -0.45 0.00 0.61 -1.11 0.00 0.00 177.39 176.80 3bza n GLY 174 N 0.07 0.76 3.77 -3.96 0.00 -0.03 -4.75 105.19 101.04 3bza n GLY 174 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 3.27 -0.18 1.61 0.08 -0.39 -4.84 117.98 115.52 3bza s PHE 175 Ca 0.00 1.58 -0.03 0.00 0.12 0.00 0.00 56.93 58.59 3bza s PHE 175 Cb 0.00 -3.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.01 3bza s PHE 175 CO 0.00 -1.14 -0.05 1.03 -0.10 0.00 0.00 175.22 174.96 3bza s ARG 176 N -1.84 3.49 0.17 0.44 3.00 -0.54 -4.04 118.95 119.62 3bza s ARG 176 Ca 0.50 -0.59 -0.30 0.00 0.00 0.00 0.00 55.73 55.33 3bza s ARG 176 Cb -0.33 -2.93 -0.08 0.00 0.00 0.00 0.00 34.95 31.61 3bza s ARG 176 CO 0.43 0.02 1.21 0.08 0.00 0.00 0.00 175.30 177.04 3bza s VAL 177 N 0.93 3.59 -0.10 3.52 1.01 -1.26 -1.18 120.40 126.90 3bza s VAL 177 Ca -0.01 1.30 -0.03 0.00 0.00 0.00 0.00 61.98 63.24 3bza s VAL 177 Cb -0.15 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3bza s VAL 177 CO 0.01 0.19 -0.12 0.35 0.00 0.00 0.00 175.10 175.53 3bza n THR 178 N 2.74 0.57 -4.05 3.92 -2.24 -0.30 -4.79 114.28 110.12 3bza n THR 178 Ca 0.05 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 3bza n THR 178 Cb 0.45 -1.41 -0.11 0.00 -2.10 0.00 0.00 70.33 67.16 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 -2.19 0.50 0.24 -0.78 2.02 -1.24 -1.40 118.70 115.85 3bza s GLU 179 Ca -0.14 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.78 3bza s GLU 179 Cb 0.05 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.37 3bza s GLU 179 CO 0.20 -0.07 0.46 0.16 0.02 0.00 0.00 175.26 176.03 3bza s ASP 180 N -2.24 -0.08 -0.10 -0.19 -4.77 -0.34 -0.76 116.67 108.19 3bza s ASP 180 Ca -0.03 -0.95 0.02 0.00 -3.30 0.00 0.00 52.55 48.29 3bza s ASP 180 Cb -0.01 0.57 0.01 0.00 -1.09 0.00 0.00 42.92 42.41 3bza s ASP 180 CO -0.05 -1.12 -0.14 -0.63 0.70 0.00 0.00 175.17 173.92 3bza s ILE 181 N -4.02 1.40 0.27 2.11 1.01 -0.51 -1.34 121.20 120.11 3bza s ILE 181 Ca 0.23 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3bza s ILE 181 Cb -0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3bza s ILE 181 CO 0.09 0.42 0.12 -1.10 0.00 0.00 0.00 174.94 174.47 3bza s GLN 182 N 0.90 1.47 0.32 2.79 -0.21 -0.53 -0.51 119.66 123.89 3bza s GLN 182 Ca -0.09 -1.81 0.01 0.00 0.02 0.00 0.00 55.36 53.49 3bza s GLN 182 Cb -0.15 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.71 3bza s GLN 182 CO 0.00 -0.37 0.07 -0.40 -2.12 0.00 0.00 175.29 172.47 3bza n ASP 183 N -0.63 2.64 -0.02 5.90 5.68 -0.56 -0.75 116.55 128.81 3bza n ASP 183 Ca 0.01 -2.30 0.07 0.00 -0.50 0.00 0.00 54.79 52.06 3bza n ASP 183 Cb 0.66 0.15 0.39 0.00 -1.14 0.00 0.00 41.12 41.18 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 -1.38 0.07 -0.22 -1.12 5.68 -1.26 -3.23 116.55 115.09 3bza n ASP 184 Ca -0.10 -1.60 0.04 0.00 -0.50 0.00 0.00 54.79 52.64 3bza n ASP 184 Cb 0.39 -0.01 0.08 0.00 -1.14 0.00 0.00 41.12 40.44 3bza n ASP 184 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bza n GLU 185 N -0.66 2.62 -0.38 0.11 1.02 -1.26 -4.98 120.64 117.10 3bza n GLU 185 Ca 0.10 -1.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 3bza n GLU 185 Cb 0.06 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.49 0.76 3.77 0.62 0.00 -1.20 -5.05 105.19 103.60 3bza n GLY 186 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.33 4.79 -0.15 2.61 2.01 -1.26 -4.92 115.64 116.38 3bza s THR 187 Ca 0.00 1.36 -0.05 0.00 0.31 0.00 0.00 61.69 63.31 3bza s THR 187 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3bza s THR 187 CO 0.00 0.44 0.02 -0.89 -0.69 0.00 0.00 174.62 173.51 3bza s THR 188 N -0.43 4.46 -0.10 -0.82 2.01 -1.26 -1.49 115.64 118.01 3bza s THR 188 Ca 0.33 -0.16 0.16 0.00 0.31 0.00 0.00 61.69 62.32 3bza s THR 188 Cb -0.19 -2.97 -0.24 0.00 0.01 0.00 0.00 72.50 69.11 3bza s THR 188 CO 0.19 0.50 0.21 -1.22 -0.69 0.00 0.00 174.62 173.62 3bza n TYR 189 N 3.21 0.00 -3.53 4.92 4.01 0.34 -4.66 117.16 121.45 3bza n TYR 189 Ca -0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.43 3bza n TYR 189 Cb 0.53 -0.62 -0.05 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.79 -1.82 -0.02 -0.72 0.00 -1.21 -0.54 121.76 114.66 3bza s ALA 190 Ca -0.07 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 3bza s ALA 190 Cb 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3bza s ALA 190 CO 0.70 -0.42 0.19 0.00 0.00 0.00 0.00 175.76 176.24 3bza s ALA 191 N -1.60 -0.48 -0.07 0.00 0.00 -0.24 -1.43 121.76 117.95 3bza s ALA 191 Ca -0.05 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.11 3bza s ALA 191 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3bza s ALA 191 CO 0.03 -0.19 -0.21 -1.58 0.00 0.00 0.00 175.76 173.81 3bza s TRP 192 N -0.99 2.55 -0.03 0.00 0.51 0.06 -0.52 118.94 120.52 3bza s TRP 192 Ca -0.11 -0.56 -0.10 0.00 -2.12 0.00 0.00 56.10 53.21 3bza s TRP 192 Cb -0.06 -1.64 0.01 0.00 -0.81 0.00 0.00 33.47 30.98 3bza s TRP 192 CO 0.02 -0.11 0.23 0.00 -0.51 0.00 0.00 176.95 176.57 3bza s MET 193 N -0.24 0.50 0.13 4.98 0.23 -0.77 -1.16 119.30 122.97 3bza s MET 193 Ca -0.00 -0.13 0.05 0.00 -1.03 0.00 0.00 55.69 54.57 3bza s MET 193 Cb -0.13 0.22 -0.04 0.00 -1.53 0.00 0.00 34.83 33.35 3bza s MET 193 CO 0.03 -0.12 -0.12 -3.38 -2.03 0.00 0.00 175.02 169.41 3bza s HIS 194 N -0.96 1.28 -0.03 3.16 -3.43 -0.32 -0.87 115.29 114.11 3bza s HIS 194 Ca -0.10 -0.65 -0.00 0.00 -0.80 0.00 0.00 55.06 53.50 3bza s HIS 194 Cb -0.05 -0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 30.42 3bza s HIS 194 CO 0.02 0.10 -0.03 0.54 -2.00 0.00 0.00 174.74 173.37 3bza n ARG 195 N 0.23 0.07 -0.01 -0.38 5.12 -1.26 -1.47 116.66 118.97 3bza n ARG 195 Ca -0.13 0.02 0.14 0.00 -1.93 0.00 0.00 57.85 55.95 3bza n ARG 195 Cb 0.59 -0.99 0.70 0.00 -1.16 0.00 0.00 32.46 31.60 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 -2.67 1.32 -0.38 5.56 2.85 -1.22 -4.90 118.16 118.72 3bza n LYS 196 Ca -0.05 -0.47 0.00 0.00 -1.05 0.00 0.00 58.31 56.74 3bza n LYS 196 Cb 0.55 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 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 1.06 0.79 1.50 2.58 0.00 -1.26 -4.94 105.19 104.92 3bza n GLY 197 Ca 0.21 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.38 0.00 -0.15 2.61 -2.24 -1.26 -1.46 114.28 109.39 3bza n THR 198 Ca 0.00 -0.82 -0.01 0.00 -2.27 0.00 0.00 64.05 60.94 3bza n THR 198 Cb 0.00 -0.46 0.22 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.41 1.21 -3.00 2.28 2.07 -1.95 -3.42 116.25 113.86 3bza h VAL 199 Ca -0.13 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 3bza h VAL 199 Cb 0.49 0.48 -0.14 0.00 -1.52 0.00 0.00 31.29 30.60 3bza h VAL 199 CO 0.20 0.26 0.07 -1.38 0.02 0.00 0.00 177.57 176.74 3bza s HIS 200 N -5.43 -0.41 -0.10 1.57 0.00 -1.26 -4.13 115.29 105.52 3bza s HIS 200 Ca -0.10 0.28 0.08 0.00 -3.00 0.00 0.00 55.06 52.33 3bza s HIS 200 Cb 0.16 0.40 -0.12 0.00 -4.00 0.00 0.00 32.58 29.02 3bza s HIS 200 CO 0.79 -0.73 0.02 -0.25 -1.00 0.00 0.00 174.74 173.57 3bza n ASP 201 N -0.03 2.54 -3.91 7.38 8.00 -0.05 -4.63 116.55 125.86 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 0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 42.33 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 -2.25 0.00 0.04 -3.53 -1.32 -1.07 -1.73 115.64 105.78 3bza s THR 202 Ca -0.06 -1.89 -0.19 0.00 -1.21 0.00 0.00 61.69 58.33 3bza s THR 202 Cb 0.03 -2.48 0.04 0.00 -1.51 0.00 0.00 72.50 68.58 3bza s THR 202 CO 0.41 0.00 0.44 0.00 -2.21 0.00 0.00 174.62 173.26 3bza s ALA 203 N -3.89 -1.09 -0.14 11.08 0.00 -1.09 -1.85 121.76 124.78 3bza s ALA 203 Ca 0.37 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 3bza s ALA 203 Cb 0.04 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 3bza s ALA 203 CO 0.16 -0.46 -0.13 -0.51 0.00 0.00 0.00 175.76 174.81 3bza s LEU 204 N -1.97 2.66 -0.19 0.00 1.43 0.32 -0.31 118.68 120.62 3bza s LEU 204 Ca -0.05 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3bza s LEU 204 Cb -0.01 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 3bza s LEU 204 CO -0.02 0.13 -0.09 -0.89 0.23 0.00 0.00 176.35 175.71 3bza s THR 205 N 0.55 3.05 0.16 5.49 2.01 0.87 -1.07 115.64 126.70 3bza s THR 205 Ca -0.08 -0.62 -0.32 0.00 0.31 0.00 0.00 61.69 60.98 3bza s THR 205 Cb -0.16 -2.34 -0.10 0.00 0.01 0.00 0.00 72.50 69.90 3bza s THR 205 CO 0.04 0.47 1.64 -0.83 -0.69 0.00 0.00 174.62 175.25 3bza s GLY 206 N 1.14 1.45 0.00 4.40 0.00 0.30 -1.72 107.32 112.89 3bza s GLY 206 Ca 0.01 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.15 3bza s GLY 206 CO -0.03 2.77 0.00 0.61 0.00 0.00 0.00 173.10 176.45 3bza n GLY 207 N 3.88 -1.77 3.72 0.20 0.00 -0.68 -4.83 105.19 105.71 3bza n GLY 207 Ca 0.15 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3bza n GLY 207 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bza s ASN 208 N -1.70 6.46 0.29 1.61 0.01 -1.26 -1.50 114.94 118.84 3bza s ASN 208 Ca 0.00 2.77 -0.12 0.00 -0.71 0.00 0.00 52.86 54.80 3bza s ASN 208 Cb 0.00 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.07 3bza s ASN 208 CO 0.00 -0.91 0.54 -0.83 -1.51 0.00 0.00 177.10 174.39 3bza s GLY 209 N 1.15 0.65 0.15 0.66 0.00 -0.82 -4.35 107.32 104.77 3bza s GLY 209 Ca 0.73 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 3bza s GLY 209 CO 0.32 -0.61 1.08 2.56 0.00 0.00 0.00 173.10 176.45 3bza s PRO 210 N -3.58 4.60 0.01 2.90 0.04 -1.26 -0.30 135.00 137.41 3bza s PRO 210 Ca 0.22 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 3bza s PRO 210 Cb -0.02 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3bza s PRO 210 CO 0.11 0.08 0.08 1.03 0.04 0.00 0.00 177.00 178.34 3bza s ARG 211 N -0.18 0.44 -0.24 4.56 0.52 -0.99 -4.32 118.95 118.74 3bza s ARG 211 Ca 0.50 -0.49 -0.21 0.00 -0.52 0.00 0.00 55.73 55.00 3bza s ARG 211 Cb -0.28 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.35 3bza s ARG 211 CO 0.33 -0.10 0.67 -1.17 0.02 0.00 0.00 175.30 175.06 3bza s LEU 212 N -1.47 4.08 -0.08 2.53 2.96 0.16 -0.37 118.68 126.49 3bza s LEU 212 Ca -0.14 0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 54.32 3bza s LEU 212 Cb -0.08 -2.93 -0.20 0.00 0.50 0.00 0.00 46.19 43.47 3bza s LEU 212 CO 0.00 -0.38 0.92 -0.74 -1.32 0.00 0.00 176.35 174.83 3bza h HIS 213 N 7.77 -0.05 -2.27 5.38 -0.00 -0.62 0.90 115.15 126.26 3bza h HIS 213 Ca -0.27 -0.00 0.17 0.00 -0.00 0.00 0.00 60.37 60.27 3bza h HIS 213 Cb 1.12 0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 28.44 3bza h HIS 213 CO 0.75 0.58 0.51 -3.38 -0.00 0.00 0.00 177.93 176.39 3bza s HIS 214 N -3.16 -0.19 -0.07 5.26 0.00 -0.98 -4.32 115.29 111.84 3bza s HIS 214 Ca -0.15 -0.06 0.03 0.00 -3.00 0.00 0.00 55.06 51.88 3bza s HIS 214 Cb -0.00 0.60 -0.02 0.00 -4.00 0.00 0.00 32.58 29.16 3bza s HIS 214 CO 0.60 -0.71 -0.15 0.08 -1.00 0.00 0.00 174.74 173.55 3bza s VAL 215 N -3.18 2.94 -0.05 -5.38 1.01 -1.10 -1.01 120.40 113.63 3bza s VAL 215 Ca 0.10 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3bza s VAL 215 Cb -0.01 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3bza s VAL 215 CO -0.01 0.57 -0.23 0.00 0.00 0.00 0.00 175.10 175.43 3bza s ALA 216 N -0.43 2.24 0.08 5.51 0.00 0.21 -1.31 121.76 128.06 3bza s ALA 216 Ca 0.05 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.02 3bza s ALA 216 Cb -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3bza s ALA 216 CO 0.02 0.45 -0.10 -0.06 0.00 0.00 0.00 175.76 176.07 3bza s PHE 217 N -0.31 2.74 0.28 0.00 0.08 -0.24 0.06 117.98 120.58 3bza s PHE 217 Ca 0.01 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.88 3bza s PHE 217 Cb -0.13 -1.46 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 3bza s PHE 217 CO 0.02 0.40 0.51 -1.12 -0.10 0.00 0.00 175.22 174.94 3bza s SER 218 N -2.03 6.41 0.42 1.36 0.01 0.60 -0.97 113.70 119.51 3bza s SER 218 Ca 0.20 0.59 0.06 0.00 1.31 0.00 0.00 55.95 58.12 3bza s SER 218 Cb -0.11 -2.09 -0.06 0.00 0.21 0.00 0.00 66.02 63.97 3bza s SER 218 CO 0.12 -0.17 0.07 0.42 0.41 0.00 0.00 173.24 174.09 3bza s THR 219 N -2.06 2.01 0.01 1.44 -4.23 -0.82 -0.33 115.64 111.65 3bza s THR 219 Ca 0.42 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 3bza s THR 219 Cb -0.11 -2.90 -0.18 0.00 1.34 0.00 0.00 72.50 70.66 3bza s THR 219 CO 0.31 0.00 1.24 0.45 -0.54 0.00 0.00 174.62 176.07 3bza h HIS 220 N 1.59 0.42 -3.69 3.99 3.86 -1.91 -3.44 115.15 115.97 3bza h HIS 220 Ca -0.43 -0.16 -0.30 0.00 -1.16 0.00 0.00 60.37 58.31 3bza h HIS 220 Cb 1.25 -0.07 -0.15 0.00 1.06 0.00 0.00 27.41 29.50 3bza h HIS 220 CO 0.78 0.85 -0.67 -1.21 0.86 0.00 0.00 177.93 178.55 3bza s GLU 221 N -3.87 1.13 0.26 2.45 2.02 -1.26 -4.85 118.70 114.58 3bza s GLU 221 Ca -0.14 -1.54 -0.01 0.00 0.02 0.00 0.00 54.97 53.29 3bza s GLU 221 Cb 0.04 -0.33 0.34 0.00 0.10 0.00 0.00 34.13 34.29 3bza s GLU 221 CO 0.76 -0.11 1.75 0.87 0.02 0.00 0.00 175.26 178.55 3bza h LYS 222 N 2.68 0.73 0.00 1.61 1.57 -1.97 -2.36 116.57 118.84 3bza h LYS 222 Ca -0.37 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 3bza h LYS 222 Cb 1.21 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3bza h LYS 222 CO 0.63 0.78 -0.06 1.12 -0.57 0.00 0.00 179.45 181.35 3bza h HIS 223 N 0.68 0.00 -0.59 -1.35 2.07 -1.96 -1.28 115.15 112.72 3bza h HIS 223 Ca 0.13 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.58 3bza h HIS 223 Cb 0.50 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.45 3bza h HIS 223 CO 0.02 0.06 0.10 -0.91 -3.07 0.00 0.00 177.93 174.14 3bza h ASN 224 N 0.00 0.90 -0.29 3.10 4.21 -1.62 -0.30 115.58 121.58 3bza h ASN 224 Ca -0.00 -0.19 -0.08 0.00 1.21 0.00 0.00 56.30 57.23 3bza h ASN 224 Cb 0.18 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 3bza h ASN 224 CO 0.01 0.90 -0.15 0.40 -1.29 0.00 0.00 177.43 177.30 3bza h ILE 225 N 0.89 1.30 -0.76 2.81 2.04 -1.34 -2.76 117.51 119.69 3bza h ILE 225 Ca 0.18 -1.25 0.12 0.00 1.00 0.00 0.00 64.86 64.91 3bza h ILE 225 Cb 0.39 1.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 3bza h ILE 225 CO 0.01 0.40 0.35 0.40 0.00 0.00 0.00 178.15 179.31 3bza h ILE 226 N 0.36 0.76 -0.59 -0.67 1.08 -1.17 -2.24 117.51 115.04 3bza h ILE 226 Ca 0.06 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 3bza h ILE 226 Cb 0.67 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3bza h ILE 226 CO 0.04 0.10 0.24 -0.61 -0.69 0.00 0.00 178.15 177.23 3bza h GLN 227 N 0.56 0.85 -0.41 2.37 5.75 -0.85 -0.95 115.11 122.42 3bza h GLN 227 Ca 0.40 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.78 3bza h GLN 227 Cb 0.51 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 3bza h GLN 227 CO -0.33 0.70 0.25 0.82 -2.65 0.00 0.00 178.83 177.61 3bza h ILE 228 N 0.84 1.06 -0.26 2.39 2.04 -1.13 0.36 117.51 122.81 3bza h ILE 228 Ca 0.20 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3bza h ILE 228 Cb 0.16 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3bza h ILE 228 CO -0.02 0.09 0.07 0.00 0.00 0.00 0.00 178.15 178.29 3bza h ASP 230 N 0.18 0.84 -0.63 0.00 3.32 -0.61 -1.12 116.42 118.40 3bza h ASP 230 Ca 0.12 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3bza h ASP 230 Cb 0.10 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3bza h ASP 230 CO -0.14 0.65 0.18 0.50 -1.72 0.00 0.00 179.24 178.71 3bza h LYS 231 N 0.96 0.99 -0.09 3.56 3.64 -0.07 -1.09 116.57 124.47 3bza h LYS 231 Ca 0.25 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 3bza h LYS 231 Cb -0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3bza h LYS 231 CO -0.05 0.88 -0.36 0.52 -2.27 0.00 0.00 179.45 178.18 3bza h MET 232 N 0.91 0.18 -0.33 1.90 2.86 -0.72 -0.04 114.93 119.70 3bza h MET 232 Ca 0.20 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3bza h MET 232 Cb 0.32 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3bza h MET 232 CO -0.00 0.52 0.05 0.78 1.06 0.00 0.00 176.91 179.31 3bza h GLY 233 N 1.13 0.59 1.43 8.32 0.00 -0.83 0.78 103.07 114.49 3bza h GLY 233 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3bza h GLY 233 CO 0.05 0.37 0.05 0.00 0.00 0.00 0.00 176.54 177.01 3bza h ALA 234 N 0.89 1.24 0.00 3.60 0.00 -0.66 -1.08 119.26 123.25 3bza h ALA 234 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3bza h ALA 234 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3bza h ALA 234 CO 0.01 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.05 3bza n LEU 235 N -4.26 0.00 -3.63 0.00 4.77 -0.08 -4.90 117.00 108.90 3bza n LEU 235 Ca 0.03 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.93 3bza n LEU 235 Cb 0.25 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3bza n LEU 235 CO 0.40 -0.03 0.23 0.54 -1.33 0.00 0.00 177.39 177.21 3bza n ARG 236 N -1.17 -7.70 -1.16 3.23 5.12 -0.41 -4.90 116.66 109.67 3bza n ARG 236 Ca 0.15 0.80 -0.03 0.00 -1.93 0.00 0.00 57.85 56.85 3bza n ARG 236 Cb 0.16 -5.84 0.14 0.00 -1.16 0.00 0.00 32.46 25.75 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 -4.96 2.09 0.30 0.55 -5.35 0.19 -4.80 119.36 107.38 3bza n ILE 237 Ca 0.01 -3.34 0.17 0.00 -0.27 0.00 0.00 62.75 59.32 3bza n ILE 237 Cb 0.56 -0.34 0.81 0.00 -1.74 0.00 0.00 39.64 38.93 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 1.39 0.00 0.58 7.28 4.64 -1.86 -0.85 113.55 124.73 3bza h SER 238 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3bza h SER 238 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3bza h SER 238 CO 0.23 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.29 3bza n ASP 239 N -2.77 0.09 -0.68 4.97 5.75 -1.26 -1.76 116.55 120.89 3bza n ASP 239 Ca -0.01 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.42 3bza n ASP 239 Cb 0.16 -0.54 0.20 0.00 -1.03 0.00 0.00 41.12 39.91 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 -1.60 1.78 -2.70 0.11 5.12 -0.33 -4.71 116.66 114.34 3bza n ARG 240 Ca 0.04 -1.36 -0.43 0.00 -1.93 0.00 0.00 57.85 54.16 3bza n ARG 240 Cb 0.19 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.00 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 -2.16 4.42 -0.11 0.55 1.01 -0.72 -0.84 121.20 123.35 3bza s ILE 241 Ca 0.28 1.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.98 3bza s ILE 241 Cb 0.20 -4.46 -0.27 0.00 0.01 0.00 0.00 42.46 37.93 3bza s ILE 241 CO 0.39 -0.73 0.64 -0.08 0.00 0.00 0.00 174.94 175.16 3bza h GLU 242 N 8.74 0.18 -2.19 2.79 4.81 -1.24 -3.49 114.58 124.18 3bza h GLU 242 Ca -0.23 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 3bza h GLU 242 Cb 1.07 0.11 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 3bza h GLU 242 CO 1.05 1.14 -0.02 0.50 -0.73 0.00 0.00 179.01 180.96 3bza s ARG 243 N -2.40 0.68 0.00 1.92 3.52 -1.09 -4.87 118.95 116.71 3bza s ARG 243 Ca -0.19 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 3bza s ARG 243 Cb 0.02 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 3bza s ARG 243 CO 0.74 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.52 3bza n GLY 244 N 3.57 -1.27 3.78 8.12 0.00 -1.26 -0.79 105.19 117.34 3bza n GLY 244 Ca -0.18 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 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 2.23 0.37 1.61 0.04 -1.26 -4.98 135.00 133.01 3bza s PRO 245 Ca 0.00 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 3bza s PRO 245 Cb 0.00 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.67 3bza s PRO 245 CO 0.00 -1.59 0.68 0.41 0.04 0.00 0.00 177.00 176.54 3bza n GLY 246 N -1.62 1.32 3.49 0.56 0.00 -0.20 -4.98 105.19 103.75 3bza n GLY 246 Ca 0.08 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.26 3.68 0.47 1.61 6.06 -1.26 -0.81 118.95 126.44 3bza s ARG 247 Ca 0.18 -0.50 -0.22 0.00 -2.50 0.00 0.00 55.73 52.70 3bza s ARG 247 Cb -0.04 -3.05 -0.07 0.00 0.06 0.00 0.00 34.95 31.85 3bza s ARG 247 CO 0.14 0.12 1.13 -1.01 -2.50 0.00 0.00 175.30 173.18 3bza s HIS 248 N 0.72 2.90 0.00 5.12 3.76 0.77 0.54 115.29 129.11 3bza s HIS 248 Ca -0.00 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 3bza s HIS 248 Cb -0.14 -3.30 0.00 0.00 1.11 0.00 0.00 32.58 30.25 3bza s HIS 248 CO 0.02 -1.34 0.17 0.41 -0.85 0.00 0.00 174.74 173.14 3bza n GLY 249 N 0.32 -0.11 3.66 -2.22 0.00 -1.11 -3.46 105.19 102.28 3bza n GLY 249 Ca 0.08 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.22 0.21 0.00 1.61 0.31 0.13 -1.67 118.33 117.70 3bza n VAL 250 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3bza n VAL 250 Cb 0.00 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 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 4.37 0.00 -0.63 4.52 3.41 -1.26 -4.46 113.62 119.57 3bza n SER 251 Ca 0.21 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.74 3bza n SER 251 Cb 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -5.50 -4.86 4.04 5.15 -0.67 -4.29 115.26 109.34 3bza n ASN 252 Ca 0.00 0.20 -0.32 0.00 -0.60 0.00 0.00 54.58 53.87 3bza n ASN 252 Cb 0.00 -3.72 -0.05 0.00 -0.53 0.00 0.00 39.78 35.48 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 -1.80 3.41 0.13 5.20 0.00 -1.26 -4.62 121.76 122.82 3bza s ALA 253 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 3bza s ALA 253 Cb 0.00 -2.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 3bza s ALA 253 CO 0.00 0.32 0.77 0.12 0.00 0.00 0.00 175.76 176.97 3bza s PHE 254 N -2.01 3.86 0.18 0.00 5.36 -0.33 -0.16 117.98 124.87 3bza s PHE 254 Ca 0.51 1.58 -0.06 0.00 -0.96 0.00 0.00 56.93 58.00 3bza s PHE 254 Cb -0.10 -2.78 -0.02 0.00 -0.34 0.00 0.00 43.02 39.78 3bza s PHE 254 CO 0.21 0.45 0.23 1.52 -1.46 0.00 0.00 175.22 176.17 3bza s TYR 255 N -0.83 0.65 -0.20 10.12 1.13 0.01 -1.25 117.35 126.98 3bza s TYR 255 Ca 0.36 -0.99 -0.22 0.00 -1.41 0.00 0.00 57.07 54.81 3bza s TYR 255 Cb -0.22 -0.22 0.06 0.00 -1.10 0.00 0.00 41.96 40.48 3bza s TYR 255 CO 0.25 -0.70 0.61 -1.17 -2.51 0.00 0.00 175.55 172.04 3bza s LEU 256 N -3.03 -0.35 -0.13 -3.49 2.96 -0.19 -1.03 118.68 113.42 3bza s LEU 256 Ca 0.24 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 3bza s LEU 256 Cb 0.04 2.14 -0.01 0.00 0.50 0.00 0.00 46.19 48.86 3bza s LEU 256 CO 0.04 -0.28 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.31 3bza s TYR 257 N 0.05 2.72 0.23 5.38 2.02 0.03 -0.50 117.35 127.28 3bza s TYR 257 Ca -0.02 -0.88 0.06 0.00 -0.37 0.00 0.00 57.07 55.85 3bza s TYR 257 Cb -0.04 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3bza s TYR 257 CO 0.02 -0.35 -0.07 0.96 -1.57 0.00 0.00 175.55 174.54 3bza s ILE 258 N 0.48 1.41 -0.15 2.71 -4.36 0.35 -0.79 121.20 120.85 3bza s ILE 258 Ca -0.12 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.17 3bza s ILE 258 Cb -0.16 -2.23 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 3bza s ILE 258 CO 0.05 -0.45 -0.17 -0.76 0.24 0.00 0.00 174.94 173.86 3bza s LEU 259 N -3.33 2.42 0.99 0.37 1.43 -0.02 -0.45 118.68 120.09 3bza s LEU 259 Ca 0.25 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 3bza s LEU 259 Cb 0.03 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.90 3bza s LEU 259 CO 0.08 0.10 1.17 1.51 0.23 0.00 0.00 176.35 179.44 3bza s ASP 260 N 0.73 2.86 0.55 2.29 -4.77 0.14 -4.84 116.67 113.63 3bza s ASP 260 Ca -0.07 0.75 0.28 0.00 -3.30 0.00 0.00 52.55 50.21 3bza s ASP 260 Cb -0.16 -1.14 1.45 0.00 -1.09 0.00 0.00 42.92 41.99 3bza s ASP 260 CO 0.01 -2.94 1.95 -0.65 0.70 0.00 0.00 175.17 174.24 3bza h PRO 261 N -1.77 0.00 -0.63 2.11 0.11 -1.89 0.68 132.00 130.61 3bza h PRO 261 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bza h PRO 261 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3bza h PRO 261 CO 0.51 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.05 3bza n ASP 262 N -4.20 5.11 -1.85 -2.05 8.00 -1.26 -4.93 116.55 115.37 3bza n ASP 262 Ca 0.12 -2.68 -0.21 0.00 0.71 0.00 0.00 54.79 52.73 3bza n ASP 262 Cb 0.72 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.82 -5.65 -4.73 -2.24 4.13 0.23 -4.99 115.26 102.82 3bza n ASN 263 Ca 0.26 0.34 -0.41 0.00 1.68 0.00 0.00 54.58 56.45 3bza n ASN 263 Cb 1.03 -4.88 -0.03 0.00 -1.54 0.00 0.00 39.78 34.36 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 -2.86 3.25 -0.08 3.10 3.76 -1.26 -4.77 115.29 116.43 3bza s HIS 264 Ca 0.00 1.18 -0.16 0.00 -0.15 0.00 0.00 55.06 55.93 3bza s HIS 264 Cb 0.00 -3.62 -0.05 0.00 1.11 0.00 0.00 32.58 30.03 3bza s HIS 264 CO 0.00 -1.96 0.41 0.50 -0.85 0.00 0.00 174.74 172.84 3bza s ARG 265 N 0.08 4.14 -0.08 1.40 3.52 -1.26 -0.68 118.95 126.08 3bza s ARG 265 Ca 0.58 0.36 0.04 0.00 -0.13 0.00 0.00 55.73 56.58 3bza s ARG 265 Cb -0.36 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 3bza s ARG 265 CO 0.37 0.40 -0.21 0.42 -0.81 0.00 0.00 175.30 175.47 3bza s ILE 266 N -0.13 1.79 -0.06 4.11 -1.09 0.40 -2.71 121.20 123.52 3bza s ILE 266 Ca 0.23 -0.88 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 3bza s ILE 266 Cb -0.15 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 3bza s ILE 266 CO 0.10 0.50 0.07 -0.70 -1.23 0.00 0.00 174.94 173.69 3bza s GLU 267 N 0.25 3.15 -0.07 2.79 2.12 -0.43 -0.49 118.70 126.02 3bza s GLU 267 Ca -0.13 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 54.86 3bza s GLU 267 Cb -0.16 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 3bza s GLU 267 CO 0.06 0.70 -0.10 0.42 -0.54 0.00 0.00 175.26 175.80 3bza s ILE 268 N -1.06 3.42 -0.13 -3.70 -1.09 0.34 -1.08 121.20 117.90 3bza s ILE 268 Ca 0.18 -0.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.90 3bza s ILE 268 Cb -0.12 -2.38 0.03 0.00 -1.58 0.00 0.00 42.46 38.42 3bza s ILE 268 CO 0.08 0.59 0.34 -0.47 -1.23 0.00 0.00 174.94 174.25 3bza s TYR 269 N -0.70 -0.38 -0.03 3.97 5.04 -0.14 -1.02 117.35 124.09 3bza s TYR 269 Ca 0.11 0.92 -0.24 0.00 -2.44 0.00 0.00 57.07 55.42 3bza s TYR 269 Cb -0.11 0.13 0.05 0.00 0.35 0.00 0.00 41.96 42.38 3bza s TYR 269 CO 0.01 -0.18 0.51 -0.08 -1.34 0.00 0.00 175.55 174.47 3bza s THR 270 N 0.19 0.03 -0.79 4.34 -1.32 -0.38 -1.95 115.64 115.77 3bza s THR 270 Ca -0.00 -0.22 -0.03 0.00 -1.21 0.00 0.00 61.69 60.24 3bza s THR 270 Cb -0.02 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3bza s THR 270 CO 0.00 -0.12 0.67 0.00 -2.21 0.00 0.00 174.62 172.97 3bza n GLN 271 N 1.05 -4.49 0.00 7.08 6.02 -1.26 -1.19 117.38 124.59 3bza n GLN 271 Ca -0.20 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 3bza n GLN 271 Cb 0.57 -4.59 0.00 0.00 1.02 0.00 0.00 30.24 27.24 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 -1.84 -0.06 -4.72 1.08 5.75 -1.26 -4.42 116.55 111.09 3bza n ASP 272 Ca -0.09 -0.95 -0.28 0.00 -0.01 0.00 0.00 54.79 53.45 3bza n ASP 272 Cb 0.57 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 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 -0.98 2.29 0.01 2.11 1.13 -1.26 -5.02 117.35 115.64 3bza s TYR 273 Ca 0.00 -0.74 -0.29 0.00 -1.41 0.00 0.00 57.07 54.64 3bza s TYR 273 Cb 0.00 -1.80 -0.04 0.00 -1.10 0.00 0.00 41.96 39.02 3bza s TYR 273 CO 0.00 0.23 0.92 -0.47 -2.51 0.00 0.00 175.55 173.72 3bza s TYR 274 N -2.73 3.68 -0.01 -3.49 5.04 -1.26 -3.88 117.35 114.70 3bza s TYR 274 Ca 0.29 1.64 0.01 0.00 -2.44 0.00 0.00 57.07 56.57 3bza s TYR 274 Cb 0.05 -3.04 0.02 0.00 0.35 0.00 0.00 41.96 39.33 3bza s TYR 274 CO 0.16 0.06 0.91 0.25 -1.34 0.00 0.00 175.55 175.58 3bza n THR 275 N 3.63 0.83 0.33 4.34 -2.24 -0.54 -4.86 114.28 115.78 3bza n THR 275 Ca 0.04 -0.86 0.15 0.00 -2.27 0.00 0.00 64.05 61.11 3bza n THR 275 Cb 0.51 0.56 0.62 0.00 -2.10 0.00 0.00 70.33 69.92 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 -3.82 3.38 0.00 -1.91 -3.44 103.07 97.28 3bza h GLY 276 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3bza h GLY 276 CO 0.00 0.00 0.42 0.99 0.00 0.00 0.00 176.54 177.95 3bza s ASP 277 N -4.86 7.42 0.45 0.19 1.11 -1.26 -4.93 116.67 114.79 3bza s ASP 277 Ca 0.02 2.12 0.31 0.00 0.18 0.00 0.00 52.55 55.17 3bza s ASP 277 Cb 0.09 -2.62 1.29 0.00 1.07 0.00 0.00 42.92 42.75 3bza s ASP 277 CO 0.44 -0.03 1.90 1.55 1.18 0.00 0.00 175.17 180.21 3bza h PRO 278 N 4.12 0.00 -0.54 8.23 0.13 -2.04 -1.52 132.00 140.38 3bza h PRO 278 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3bza h PRO 278 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3bza h PRO 278 CO 0.68 0.00 0.05 -0.40 -0.23 0.00 0.00 178.00 178.10 3bza n ASP 279 N -2.78 5.11 -4.65 1.44 5.75 -1.26 -5.00 116.55 115.15 3bza n ASP 279 Ca 0.01 -3.03 -0.62 0.00 -0.01 0.00 0.00 54.79 51.13 3bza n ASP 279 Cb 0.26 -0.67 -0.09 0.00 -1.03 0.00 0.00 41.12 39.60 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 0.18 1.05 -4.67 -1.12 5.15 -0.57 -4.78 115.26 110.49 3bza n ASN 280 Ca 0.29 1.16 -0.42 0.00 -0.60 0.00 0.00 54.58 55.01 3bza n ASN 280 Cb 1.17 -0.96 -0.03 0.00 -0.53 0.00 0.00 39.78 39.44 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 1.92 4.16 0.64 1.20 0.02 -1.26 -4.97 135.00 136.70 3bza s PRO 281 Ca 0.98 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 64.35 3bza s PRO 281 Cb -1.32 -3.90 -0.01 0.00 0.02 0.00 0.00 34.50 29.29 3bza s PRO 281 CO 0.69 -0.87 1.08 0.95 -0.33 0.00 0.00 177.00 178.51 3bza s THR 282 N 3.67 3.56 -0.08 0.99 -4.23 -1.26 -4.94 115.64 113.35 3bza s THR 282 Ca 0.82 0.69 0.01 0.00 -1.18 0.00 0.00 61.69 62.03 3bza s THR 282 Cb -0.42 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.21 3bza s THR 282 CO 0.37 -0.48 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.25 3bza s ILE 283 N -2.50 0.94 -0.17 2.99 1.01 -0.49 -5.01 121.20 117.97 3bza s ILE 283 Ca 0.64 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.96 3bza s ILE 283 Cb -0.18 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3bza s ILE 283 CO 0.42 0.33 -0.06 -0.89 0.00 0.00 0.00 174.94 174.74 3bza s THR 284 N 1.17 3.53 0.04 2.92 2.01 -1.26 -1.20 115.64 122.84 3bza s THR 284 Ca -0.06 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3bza s THR 284 Cb -0.14 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3bza s THR 284 CO -0.02 0.47 0.12 0.26 -0.69 0.00 0.00 174.62 174.76 3bza s TRP 285 N 0.76 3.33 0.26 4.92 0.52 -0.45 -4.98 118.94 123.30 3bza s TRP 285 Ca -0.02 0.19 -0.30 0.00 0.02 0.00 0.00 56.10 55.99 3bza s TRP 285 Cb -0.15 -1.71 -0.09 0.00 -1.15 0.00 0.00 33.47 30.37 3bza s TRP 285 CO 0.02 0.56 1.04 1.21 0.02 0.00 0.00 176.95 179.80 3bza s ASN 286 N -2.13 7.41 0.59 2.95 3.84 -1.26 -1.46 114.94 124.89 3bza s ASN 286 Ca 0.28 2.14 0.29 0.00 0.21 0.00 0.00 52.86 55.78 3bza s ASN 286 Cb -0.12 -2.62 1.79 0.00 -0.55 0.00 0.00 41.25 39.75 3bza s ASN 286 CO 0.20 -0.03 2.25 1.62 -2.79 0.00 0.00 177.10 178.35 3bza h VAL 287 N 3.13 0.55 -0.02 -5.21 3.04 -1.30 -1.78 116.25 114.67 3bza h VAL 287 Ca -0.46 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3bza h VAL 287 Cb 1.21 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 3bza h VAL 287 CO 0.67 0.00 -0.03 1.41 -1.01 0.00 0.00 177.57 178.61 3bza n HIS 288 N -3.88 0.00 -2.30 3.17 8.25 -1.26 -4.84 115.22 114.36 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 0.08 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.06 6.35 0.00 0.41 -1.08 -0.67 -0.66 116.67 118.96 3bza s ASP 289 Ca 0.35 1.05 0.19 0.00 -0.52 0.00 0.00 52.55 53.62 3bza s ASP 289 Cb 0.21 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 40.19 3bza s ASP 289 CO 0.36 -1.38 1.54 -3.20 0.52 0.00 0.00 175.17 173.01 3bza n ASN 290 N 8.72 0.00 -1.09 -0.34 5.15 0.49 -1.71 115.26 126.48 3bza n ASN 290 Ca 0.17 -0.36 0.10 0.00 -0.60 0.00 0.00 54.58 53.90 3bza n ASN 290 Cb 0.47 -0.11 0.23 0.00 -0.53 0.00 0.00 39.78 39.84 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 -1.11 2.53 0.09 1.20 6.02 -1.26 -3.97 117.38 120.87 3bza n GLN 291 Ca 0.12 -2.31 -0.11 0.00 -0.01 0.00 0.00 57.00 54.69 3bza n GLN 291 Cb 0.10 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 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 3.81 0.19 0.00 -1.09 0.11 -1.68 -3.25 114.38 112.47 3bza h ARG 292 Ca 0.00 -0.25 -0.40 0.00 0.10 0.00 0.00 59.98 59.42 3bza h ARG 292 Cb 0.91 0.09 -0.06 0.00 1.11 0.00 0.00 29.97 32.01 3bza h ARG 292 CO 0.00 1.05 -2.36 0.54 0.10 0.00 0.00 179.97 179.30 3bza n ARG 293 N -3.56 0.53 -3.97 0.08 1.74 -1.26 -0.70 116.66 109.52 3bza n ARG 293 Ca -0.04 0.21 -0.34 0.00 -0.77 0.00 0.00 57.85 56.91 3bza n ARG 293 Cb 0.90 -1.39 -0.14 0.00 -1.02 0.00 0.00 32.46 30.81 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 -7.06 4.35 0.60 0.55 -1.08 -1.26 -3.34 116.67 109.43 3bza s ASP 294 Ca -0.34 -0.98 0.31 0.00 -0.52 0.00 0.00 52.55 51.02 3bza s ASP 294 Cb 0.12 -1.65 1.83 0.00 -1.46 0.00 0.00 42.92 41.77 3bza s ASP 294 CO 0.45 -0.15 2.22 -0.25 0.52 0.00 0.00 175.17 177.96 3bza h TRP 295 N 7.98 0.00 -0.02 -5.34 -0.00 0.06 -0.39 115.95 118.24 3bza h TRP 295 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.59 3bza h TRP 295 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.26 3bza h TRP 295 CO 0.58 0.00 0.00 0.91 -0.00 0.00 0.00 178.44 179.93 3bza n TRP 296 N -3.75 0.01 -0.77 2.65 8.01 -1.26 -4.77 117.44 117.56 3bza n TRP 296 Ca -0.02 -0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3bza n TRP 296 Cb 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 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 1.16 0.71 3.76 6.99 0.00 -0.16 -5.03 105.19 112.63 3bza n GLY 297 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3bza n GLY 297 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bza s ASN 298 N -2.37 5.82 0.41 1.61 0.01 -1.26 -4.70 114.94 114.46 3bza s ASN 298 Ca 0.00 2.62 -0.25 0.00 -0.71 0.00 0.00 52.86 54.52 3bza s ASN 298 Cb 0.00 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.95 3bza s ASN 298 CO 0.00 -1.18 1.17 -2.16 -1.51 0.00 0.00 177.10 173.41 3bza s PRO 299 N -2.65 4.01 -0.28 -0.60 0.04 -1.26 -4.62 135.00 129.63 3bza s PRO 299 Ca 0.65 1.83 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 3bza s PRO 299 Cb -0.37 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.55 3bza s PRO 299 CO 0.45 -0.36 0.99 0.08 0.04 0.00 0.00 177.00 178.21 3bza s VAL 300 N -1.44 4.64 0.25 -0.36 1.01 -1.26 -4.98 120.40 118.26 3bza s VAL 300 Ca 0.58 1.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.97 3bza s VAL 300 Cb -0.30 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.64 3bza s VAL 300 CO 0.38 -0.32 1.60 1.33 0.00 0.00 0.00 175.10 178.09 3bza n VAL 301 N 5.60 0.68 0.02 2.92 0.24 -1.26 -4.90 118.33 121.62 3bza n VAL 301 Ca 0.10 -0.17 0.13 0.00 -2.04 0.00 0.00 64.34 62.36 3bza n VAL 301 Cb 0.47 -1.86 0.58 0.00 -1.47 0.00 0.00 33.84 31.55 3bza n VAL 301 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3bza h PRO 302 N 5.29 0.21 0.00 7.34 0.13 -1.97 -0.79 132.00 142.20 3bza h PRO 302 Ca -0.46 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3bza h PRO 302 Cb 1.23 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3bza h PRO 302 CO 0.84 0.14 -0.05 0.66 -0.23 0.00 0.00 178.00 179.35 3bza h SER 303 N 0.22 0.00 -0.29 1.44 4.64 -1.97 -1.82 113.55 115.76 3bza h SER 303 Ca 0.20 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3bza h SER 303 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3bza h SER 303 CO -0.04 0.05 0.02 -0.25 -0.87 0.00 0.00 176.83 175.75 3bza h TRP 304 N 0.00 0.62 0.00 4.77 7.01 -1.45 -0.96 115.95 125.94 3bza h TRP 304 Ca -0.00 -0.06 -0.13 0.00 2.11 0.00 0.00 58.89 60.81 3bza h TRP 304 Cb 0.13 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 3bza h TRP 304 CO 0.00 0.59 -0.75 1.88 -2.79 0.00 0.00 178.44 177.37 3bza h TYR 305 N 0.58 0.00 0.00 2.65 0.05 -1.45 -3.41 116.97 115.39 3bza h TYR 305 Ca 0.12 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.69 3bza h TYR 305 Cb 0.33 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 3bza h TYR 305 CO 0.01 0.58 -2.01 0.25 -1.05 0.00 0.00 178.16 175.94 3bza n THR 306 N -3.17 0.81 -4.14 -2.88 -2.24 -0.96 -4.98 114.28 96.72 3bza n THR 306 Ca -0.01 -0.60 -0.35 0.00 -2.27 0.00 0.00 64.05 60.82 3bza n THR 306 Cb 0.78 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.59 3.42 0.14 -0.78 0.41 -0.39 -5.05 118.70 113.86 3bza s GLU 307 Ca -0.07 -0.32 -0.24 0.00 -0.41 0.00 0.00 54.97 53.92 3bza s GLU 307 Cb 0.06 -3.02 0.07 0.00 -1.78 0.00 0.00 34.13 29.46 3bza s GLU 307 CO 0.67 0.58 0.75 0.00 -0.49 0.00 0.00 175.26 176.77 3bza s ALA 308 N -0.51 -1.59 0.24 5.21 0.00 -1.26 -4.82 121.76 119.03 3bza s ALA 308 Ca 0.10 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.25 3bza s ALA 308 Cb -0.12 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 3bza s ALA 308 CO 0.02 -0.84 0.80 -1.12 0.00 0.00 0.00 175.76 174.62 3bza s SER 309 N -2.74 7.19 0.71 0.00 0.01 0.31 -4.83 113.70 114.35 3bza s SER 309 Ca 0.06 1.58 -0.16 0.00 1.31 0.00 0.00 55.95 58.73 3bza s SER 309 Cb -0.02 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 63.73 3bza s SER 309 CO -0.06 0.03 0.94 0.29 0.41 0.00 0.00 173.24 174.85 3bza n LYS 310 N 0.81 0.53 -4.31 12.44 5.02 -1.26 -0.67 118.16 130.71 3bza n LYS 310 Ca -0.02 0.23 -0.24 0.00 -2.02 0.00 0.00 58.31 56.27 3bza n LYS 310 Cb 0.50 -2.19 -0.12 0.00 -0.02 0.00 0.00 35.03 33.20 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 -1.80 1.81 0.12 -0.18 -7.23 -1.26 -0.20 120.40 111.66 3bza s VAL 311 Ca 0.73 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 3bza s VAL 311 Cb -0.35 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 3bza s VAL 311 CO 0.50 -0.14 0.24 -0.76 -0.31 0.00 0.00 175.10 174.64 3bza s LEU 312 N -2.20 4.27 0.00 1.32 1.43 0.44 -0.40 118.68 123.54 3bza s LEU 312 Ca 0.11 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 3bza s LEU 312 Cb -0.09 -2.86 0.12 0.00 0.03 0.00 0.00 46.19 43.39 3bza s LEU 312 CO 0.05 0.10 0.73 -0.90 0.23 0.00 0.00 176.35 176.56 3bza n ASP 313 N -0.22 0.33 0.03 2.29 5.68 0.25 -4.26 116.55 120.65 3bza n ASP 313 Ca -0.07 -1.43 0.10 0.00 -0.50 0.00 0.00 54.79 52.89 3bza n ASP 313 Cb 0.53 -0.53 0.41 0.00 -1.14 0.00 0.00 41.12 40.39 3bza n ASP 313 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3bza n LEU 314 N 0.00 0.18 -0.73 -2.12 4.77 -1.26 -2.03 117.00 115.80 3bza n LEU 314 Ca 0.10 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 3bza n LEU 314 Cb 0.35 -0.50 0.25 0.00 -2.33 0.00 0.00 43.42 41.18 3bza n LEU 314 CO 0.25 -0.25 0.69 0.47 -1.33 0.00 0.00 177.39 177.22 3bza n ASP 315 N -1.69 2.34 0.00 -1.43 8.00 -1.26 -4.95 116.55 117.56 3bza n ASP 315 Ca 0.04 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.80 3bza n ASP 315 Cb 0.23 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.30 0.59 3.87 0.44 0.00 -0.86 -5.06 105.19 105.47 3bza n GLY 316 Ca 0.15 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.42 6.12 0.17 1.61 0.01 -1.26 -4.85 114.94 114.32 3bza s ASN 317 Ca 0.00 0.22 -0.32 0.00 -0.71 0.00 0.00 52.86 52.06 3bza s ASN 317 Cb 0.00 -1.84 -0.10 0.00 0.41 0.00 0.00 41.25 39.72 3bza s ASN 317 CO 0.00 0.21 1.63 -0.69 -1.51 0.00 0.00 177.10 176.74 3bza s VAL 318 N -1.40 2.49 0.23 1.60 1.01 -1.26 -0.59 120.40 122.48 3bza s VAL 318 Ca 0.30 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 3bza s VAL 318 Cb -0.13 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 3bza s VAL 318 CO 0.23 0.02 1.47 -1.10 0.00 0.00 0.00 175.10 175.71 3bza s GLN 319 N 1.38 4.25 0.38 2.72 -1.52 0.46 -4.82 119.66 122.51 3bza s GLN 319 Ca 0.72 2.32 -0.27 0.00 -1.95 0.00 0.00 55.36 56.18 3bza s GLN 319 Cb -0.45 -3.12 -0.09 0.00 -0.22 0.00 0.00 33.01 29.13 3bza s GLN 319 CO 0.32 -0.46 1.32 -2.00 -0.25 0.00 0.00 175.29 174.21 3bza s GLU 320 N -0.05 4.10 -0.09 2.91 2.12 -1.26 -4.79 118.70 121.64 3bza s GLU 320 Ca 0.62 2.21 -0.17 0.00 0.36 0.00 0.00 54.97 57.98 3bza s GLU 320 Cb -0.42 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 3bza s GLU 320 CO 0.41 -0.40 0.46 0.42 -0.54 0.00 0.00 175.26 175.61 3bza s ILE 321 N -1.21 5.14 -0.17 -3.70 1.01 -1.26 -4.32 121.20 116.70 3bza s ILE 321 Ca 0.54 0.93 -0.04 0.00 0.00 0.00 0.00 60.65 62.07 3bza s ILE 321 Cb -0.39 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3bza s ILE 321 CO 0.51 0.38 -0.02 -0.63 0.00 0.00 0.00 174.94 175.19 3bza s ILE 322 N 0.25 3.99 0.27 2.92 1.01 0.59 -4.92 121.20 125.31 3bza s ILE 322 Ca 0.25 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 3bza s ILE 322 Cb -0.15 -2.77 -0.09 0.00 0.01 0.00 0.00 42.46 39.46 3bza s ILE 322 CO 0.11 0.48 1.07 -1.61 0.00 0.00 0.00 174.94 174.99 3bza s GLU 323 N 0.48 4.67 0.17 2.79 2.02 -1.26 -1.94 118.70 125.64 3bza s GLU 323 Ca -0.02 1.75 -0.30 0.00 0.02 0.00 0.00 54.97 56.41 3bza s GLU 323 Cb -0.14 -3.21 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 3bza s GLU 323 CO 0.02 0.26 1.28 0.50 0.02 0.00 0.00 175.26 177.34 3bza s ARG 324 N -1.34 4.41 -0.13 1.61 3.52 -1.26 -4.92 118.95 120.84 3bza s ARG 324 Ca 0.44 1.98 0.18 0.00 -0.13 0.00 0.00 55.73 58.20 3bza s ARG 324 Cb -0.31 -3.23 -0.25 0.00 -1.56 0.00 0.00 34.95 29.60 3bza s ARG 324 CO 0.39 -0.23 0.18 0.25 -0.81 0.00 0.00 175.30 175.08 3bza n THR 325 N 2.87 0.87 -0.68 4.11 -2.24 -1.26 -4.96 114.28 113.00 3bza n THR 325 Ca 0.07 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.85 3bza n THR 325 Cb 0.44 -0.34 0.17 0.00 -2.10 0.00 0.00 70.33 68.50 3bza n THR 325 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bza n ASP 326 N -2.53 -0.30 -4.62 3.42 8.00 -1.26 -4.94 116.55 114.32 3bza n ASP 326 Ca -0.22 0.35 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 3bza n ASP 326 Cb 0.92 -1.41 0.04 0.00 -0.02 0.00 0.00 41.12 40.65 3bza n ASP 326 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bza n ASP 327 N -3.74 1.06 -4.68 -2.24 8.00 -1.26 -4.96 116.55 108.74 3bza n ASP 327 Ca 0.10 0.90 -0.40 0.00 0.71 0.00 0.00 54.79 56.10 3bza n ASP 327 Cb 0.53 -1.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.18 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 -1.03 6.71 0.28 -2.24 0.15 -1.26 -4.97 113.70 111.33 3bza s SER 328 Ca 0.71 0.86 0.01 0.00 0.70 0.00 0.00 55.95 58.23 3bza s SER 328 Cb -0.46 -2.34 0.57 0.00 -1.71 0.00 0.00 66.02 62.07 3bza s SER 328 CO 0.51 -0.21 1.81 -0.08 1.20 0.00 0.00 173.24 176.47 3bza h GLU 329 N 7.29 0.84 0.09 5.44 4.81 -1.93 -0.67 114.58 130.45 3bza h GLU 329 Ca -0.34 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3bza h GLU 329 Cb 1.16 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3bza h GLU 329 CO 0.77 0.56 -0.09 1.25 -0.73 0.00 0.00 179.01 180.77 3bza h LEU 330 N 0.87 -0.23 -0.72 1.64 6.46 -1.95 -2.41 115.31 118.98 3bza h LEU 330 Ca 0.50 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 58.21 3bza h LEU 330 Cb 0.58 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 3bza h LEU 330 CO -0.30 -0.13 0.15 -0.33 -0.62 0.00 0.00 178.44 177.20 3bza h GLU 331 N -0.19 1.13 0.00 1.25 4.39 -1.72 -0.38 114.58 119.06 3bza h GLU 331 Ca 0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3bza h GLU 331 Cb 0.19 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3bza h GLU 331 CO -0.03 1.01 0.00 -0.39 -1.16 0.00 0.00 179.01 178.44 3bza h VAL 332 N 1.06 0.00 0.00 3.13 -1.51 -1.05 -3.10 116.25 114.77 3bza h VAL 332 Ca 0.22 -0.50 -0.21 0.00 -1.23 0.00 0.00 66.70 64.97 3bza h VAL 332 Cb 0.40 1.45 -0.03 0.00 -2.13 0.00 0.00 31.29 30.98 3bza h VAL 332 CO 0.01 0.00 -1.74 0.35 -1.23 0.00 0.00 177.57 174.96 3bza n THR 333 N -2.39 0.73 -0.11 7.19 -2.24 -0.92 -0.85 114.28 115.69 3bza n THR 333 Ca 0.05 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3bza n THR 333 Cb 0.40 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.41 0.00 -0.85 2.28 -5.35 -0.24 -3.08 119.36 108.71 3bza n ILE 334 Ca -0.25 -0.42 -0.31 0.00 -0.27 0.00 0.00 62.75 61.50 3bza n ILE 334 Cb 0.70 1.11 0.27 0.00 -1.74 0.00 0.00 39.64 39.97 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 -0.28 1.53 0.48 3.28 0.00 -0.64 -4.08 107.32 107.61 3bza s GLY 335 Ca 0.00 -1.04 0.22 0.00 0.00 0.00 0.00 44.72 43.91 3bza s GLY 335 CO 0.00 -0.06 2.02 0.00 0.00 0.00 0.00 173.10 175.06 3bza h ALA 336 N -2.99 1.39 -0.19 3.20 0.00 -1.81 -2.27 119.26 116.58 3bza h ALA 336 Ca -0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3bza h ALA 336 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3bza h ALA 336 CO 0.27 0.21 -0.01 -0.25 0.00 0.00 0.00 179.25 179.47 3bza n ASP 337 N -3.85 3.35 -4.83 0.00 8.00 -1.26 -4.27 116.55 113.69 3bza n ASP 337 Ca -0.02 -3.10 -0.25 0.00 0.71 0.00 0.00 54.79 52.13 3bza n ASP 337 Cb 0.26 -0.52 0.08 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.25 1.73 -0.18 0.44 0.00 -0.86 -4.84 107.32 101.36 3bza s GLY 338 Ca 0.40 -1.14 -0.16 0.00 0.00 0.00 0.00 44.72 43.82 3bza s GLY 338 CO 0.06 -0.70 0.48 -0.12 0.00 0.00 0.00 173.10 172.83 3bza s PHE 339 N -3.21 -0.55 0.03 1.90 5.36 -0.03 -0.81 117.98 120.67 3bza s PHE 339 Ca 0.62 1.31 -0.01 0.00 -0.96 0.00 0.00 56.93 57.89 3bza s PHE 339 Cb -0.09 0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.76 3bza s PHE 339 CO 0.44 -0.27 -0.01 -1.12 -1.46 0.00 0.00 175.22 172.80 3bza s SER 340 N 0.39 0.28 0.16 6.13 0.01 -0.73 -4.32 113.70 115.61 3bza s SER 340 Ca -0.01 -0.59 0.09 0.00 1.31 0.00 0.00 55.95 56.75 3bza s SER 340 Cb -0.04 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 3bza s SER 340 CO -0.01 -0.38 -0.19 0.72 0.41 0.00 0.00 173.24 173.79 3bza s PHE 341 N -2.03 1.83 -0.17 2.43 -0.71 0.17 -0.35 117.98 119.15 3bza s PHE 341 Ca -0.11 -0.46 -0.16 0.00 -1.04 0.00 0.00 56.93 55.17 3bza s PHE 341 Cb -0.06 -0.92 -0.22 0.00 -1.21 0.00 0.00 43.02 40.61 3bza s PHE 341 CO -0.03 0.32 0.27 2.41 -1.34 0.00 0.00 175.22 176.85 3bza n THR 342 N 0.39 1.64 -4.62 -4.49 -1.04 -1.04 -0.38 114.28 104.73 3bza n THR 342 Ca -0.14 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.29 3bza n THR 342 Cb 0.57 -1.92 -0.17 0.00 -1.82 0.00 0.00 70.33 66.99 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 -2.44 2.62 0.08 -2.82 0.52 -1.26 -4.84 118.95 110.81 3bza s ARG 343 Ca -0.26 -0.71 -0.35 0.00 -0.52 0.00 0.00 55.73 53.89 3bza s ARG 343 Cb 0.06 -2.14 -0.14 0.00 0.52 0.00 0.00 34.95 33.25 3bza s ARG 343 CO 0.66 -0.02 1.56 0.00 0.02 0.00 0.00 175.30 177.53 3bza n ALA 344 N 4.07 0.56 -0.53 2.13 0.00 -1.26 -1.39 120.51 124.10 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 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 3.35 1.46 3.44 0.00 0.00 -1.26 -5.01 105.19 107.17 3bza n GLY 345 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.23 5.15 0.29 1.61 -1.08 -0.48 -4.98 116.67 113.95 3bza s ASP 346 Ca 0.00 -0.24 0.01 0.00 -0.52 0.00 0.00 52.55 51.80 3bza s ASP 346 Cb 0.00 -1.93 0.43 0.00 -1.46 0.00 0.00 42.92 39.97 3bza s ASP 346 CO 0.00 -0.05 1.78 -0.08 0.52 0.00 0.00 175.17 177.34 3bza h GLU 347 N 8.24 0.62 -6.49 4.34 4.57 -1.95 -3.40 114.58 120.51 3bza h GLU 347 Ca -0.38 -0.18 -0.53 0.00 -1.18 0.00 0.00 59.36 57.09 3bza h GLU 347 Cb 1.17 -0.07 0.03 0.00 -0.16 0.00 0.00 28.75 29.72 3bza h GLU 347 CO 0.58 0.70 0.94 0.34 -1.18 0.00 0.00 179.01 180.39 3bza s ASP 348 N -6.73 6.63 0.00 1.04 2.15 -1.26 -2.05 116.67 116.45 3bza s ASP 348 Ca -0.08 2.48 0.00 0.00 0.43 0.00 0.00 52.55 55.38 3bza s ASP 348 Cb 0.15 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3bza s ASP 348 CO 0.79 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 3bza n GLY 349 N 3.87 0.52 3.88 2.66 0.00 -1.26 -4.65 105.19 110.21 3bza n GLY 349 Ca 0.15 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.45 5.78 -0.06 1.61 1.04 -0.87 -2.50 113.70 116.24 3bza s SER 350 Ca 0.00 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.27 3bza s SER 350 Cb 0.00 -1.49 0.02 0.00 0.10 0.00 0.00 66.02 64.65 3bza s SER 350 CO 0.00 -0.11 -0.08 -0.31 0.98 0.00 0.00 173.24 173.73 3bza s TYR 351 N -2.11 1.08 -0.21 5.02 2.02 0.52 -5.00 117.35 118.68 3bza s TYR 351 Ca 0.35 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 3bza s TYR 351 Cb -0.08 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.62 3bza s TYR 351 CO 0.27 -0.26 -0.14 -1.01 -1.57 0.00 0.00 175.55 172.84 3bza s HIS 352 N 0.94 2.93 -1.03 2.71 3.76 -1.26 -1.77 115.29 121.56 3bza s HIS 352 Ca -0.10 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.18 3bza s HIS 352 Cb -0.15 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.57 3bza s HIS 352 CO 0.01 -0.77 0.00 0.41 -0.85 0.00 0.00 174.74 173.54 3bza n GLY 353 N 4.63 0.89 3.82 -2.22 0.00 0.01 -4.95 105.19 107.37 3bza n GLY 353 Ca -0.19 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.22 1.61 0.69 1.61 -2.07 -1.24 -4.44 119.66 112.60 3bza s GLN 354 Ca 0.00 -0.91 -0.06 0.00 -1.82 0.00 0.00 55.36 52.56 3bza s GLN 354 Cb 0.00 0.54 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 3bza s GLN 354 CO 0.00 -0.74 1.00 0.00 -1.32 0.00 0.00 175.29 174.23 3bza s ALA 355 N -3.55 3.18 0.97 2.60 0.00 -0.25 -4.59 121.76 120.12 3bza s ALA 355 Ca 0.12 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 3bza s ALA 355 Cb -0.04 -2.60 0.17 0.00 0.00 0.00 0.00 23.12 20.65 3bza s ALA 355 CO 0.06 -1.24 1.09 -1.54 0.00 0.00 0.00 175.76 174.13 3bza s SER 356 N -4.49 2.83 -1.70 0.00 1.04 -1.26 -4.00 113.70 106.12 3bza s SER 356 Ca 0.59 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.44 3bza s SER 356 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.92 3bza s SER 356 CO 0.45 -3.03 0.00 0.29 0.98 0.00 0.00 173.24 171.92 3bza n LYS 357 N -4.13 -1.13 -0.13 4.02 4.76 -1.26 -3.29 118.16 117.00 3bza n LYS 357 Ca 0.06 1.06 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 3bza n LYS 357 Cb 0.56 -5.25 0.00 0.00 -1.84 0.00 0.00 35.03 28.50 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 -0.99 0.87 3.71 0.72 0.00 -1.26 -5.07 105.19 103.17 3bza n GLY 358 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.05 3.04 0.43 1.61 0.08 -1.21 -5.04 117.98 114.85 3bza s PHE 359 Ca 0.00 -0.00 0.07 0.00 0.12 0.00 0.00 56.93 57.12 3bza s PHE 359 Cb 0.00 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 3bza s PHE 359 CO 0.00 0.49 0.22 0.15 -0.10 0.00 0.00 175.22 175.98 3bza s LYS 360 N -2.38 2.27 0.16 0.44 1.02 -1.26 -1.09 119.74 118.91 3bza s LYS 360 Ca 0.27 -1.84 -0.30 0.00 0.02 0.00 0.00 55.97 54.12 3bza s LYS 360 Cb -0.12 -2.03 -0.07 0.00 -0.52 0.00 0.00 37.83 35.09 3bza s LYS 360 CO 0.19 -0.18 1.15 -0.51 -0.92 0.00 0.00 175.35 175.09 3bza s LEU 361 N -3.97 4.45 0.00 3.17 1.43 -1.26 -4.89 118.68 117.61 3bza s LEU 361 Ca 0.40 2.14 0.31 0.00 -1.03 0.00 0.00 54.13 55.95 3bza s LEU 361 Cb 0.02 -3.60 1.71 0.00 0.03 0.00 0.00 46.19 44.35 3bza s LEU 361 CO 0.23 -0.32 2.11 0.61 0.23 0.00 0.00 176.35 179.21