#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwk s GLU 9 N 0.00 4.48 0.64 -0.72 2.12 -1.26 -2.86 118.70 121.09 3bwk s GLU 9 Ca 0.00 1.16 0.04 0.00 0.36 0.00 0.00 54.97 56.52 3bwk s GLU 9 Cb 0.00 -3.47 0.10 0.00 0.26 0.00 0.00 34.13 31.02 3bwk s GLU 9 CO 0.00 -0.04 0.88 0.00 -0.54 0.00 0.00 175.26 175.57 3bwk s ALA 10 N 1.07 4.15 -0.23 6.30 0.00 0.05 -4.95 121.76 128.14 3bwk s ALA 10 Ca 0.44 -1.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 3bwk s ALA 10 Cb -0.19 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 3bwk s ALA 10 CO 0.22 -1.13 0.07 1.21 0.00 0.00 0.00 175.76 176.13 3bwk s ASN 11 N -4.67 5.29 0.20 0.00 3.84 -1.26 -4.45 114.94 113.87 3bwk s ASN 11 Ca 0.64 -0.12 -0.11 0.00 0.21 0.00 0.00 52.86 53.48 3bwk s ASN 11 Cb -0.06 -1.94 0.24 0.00 -0.55 0.00 0.00 41.25 38.94 3bwk s ASN 11 CO 0.41 0.02 1.75 0.22 -2.79 0.00 0.00 177.10 176.71 3bwk h TYR 12 N 7.80 0.37 -0.49 0.43 3.20 -1.97 -1.38 116.97 124.94 3bwk h TYR 12 Ca -0.37 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.59 3bwk h TYR 12 Cb 1.18 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 3bwk h TYR 12 CO 0.64 0.11 0.19 1.49 -1.64 0.00 0.00 178.16 178.95 3bwk h GLU 13 N 0.40 0.36 -0.25 1.82 4.81 -1.95 0.20 114.58 119.98 3bwk h GLU 13 Ca 0.28 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 3bwk h GLU 13 Cb 0.33 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3bwk h GLU 13 CO -0.28 0.24 -0.57 -0.44 -0.73 0.00 0.00 179.01 177.23 3bwk h ASP 14 N 0.37 0.93 -0.16 1.04 3.32 -1.93 -3.17 116.42 116.81 3bwk h ASP 14 Ca 0.23 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3bwk h ASP 14 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3bwk h ASP 14 CO -0.23 1.31 0.07 0.58 -1.72 0.00 0.00 179.24 179.26 3bwk h VAL 15 N 0.58 1.14 -0.18 -1.35 2.07 -0.86 -2.99 116.25 114.66 3bwk h VAL 15 Ca -0.00 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3bwk h VAL 15 Cb 1.18 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3bwk h VAL 15 CO 0.12 0.13 -0.14 -0.29 0.02 0.00 0.00 177.57 177.41 3bwk h ILE 16 N 0.12 1.20 -0.30 4.57 6.09 -0.70 -1.75 117.51 126.74 3bwk h ILE 16 Ca 0.05 -0.88 -0.07 0.00 -1.37 0.00 0.00 64.86 62.60 3bwk h ILE 16 Cb 0.14 1.22 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 3bwk h ILE 16 CO -0.01 0.28 -0.09 0.50 -3.07 0.00 0.00 178.15 175.76 3bwk h LYS 17 N 0.28 0.50 -0.15 2.19 3.64 -1.52 -0.33 116.57 121.18 3bwk h LYS 17 Ca 0.05 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 3bwk h LYS 17 Cb 0.42 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3bwk h LYS 17 CO 0.03 0.60 -0.57 0.87 -2.27 0.00 0.00 179.45 178.10 3bwk h LYS 18 N 0.47 0.48 0.04 1.90 1.57 -1.19 -3.39 116.57 116.46 3bwk h LYS 18 Ca 0.09 -0.32 -0.35 0.00 -1.87 0.00 0.00 60.65 58.21 3bwk h LYS 18 Cb 0.45 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 3bwk h LYS 18 CO 0.02 0.92 -2.07 0.66 -0.57 0.00 0.00 179.45 178.42 3bwk n TYR 19 N -3.93 0.70 -2.73 -1.35 4.02 -0.88 -4.82 117.16 108.17 3bwk n TYR 19 Ca -0.03 0.20 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 3bwk n TYR 19 Cb 0.61 -1.11 -0.03 0.00 -0.02 0.00 0.00 39.34 38.80 3bwk n TYR 19 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3bwk s LYS 20 N -2.55 4.28 0.58 -0.72 2.20 -0.16 -4.95 119.74 118.43 3bwk s LYS 20 Ca -0.16 1.26 -0.19 0.00 -0.36 0.00 0.00 55.97 56.51 3bwk s LYS 20 Cb 0.07 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3bwk s LYS 20 CO 0.77 -0.51 1.25 -2.14 -0.36 0.00 0.00 175.35 174.36 3bwk s PRO 21 N 2.78 2.98 0.40 4.03 0.02 -1.26 -4.82 135.00 139.13 3bwk s PRO 21 Ca 0.43 1.95 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 3bwk s PRO 21 Cb -0.16 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 3bwk s PRO 21 CO 0.09 -1.23 1.27 0.00 -0.33 0.00 0.00 177.00 176.80 3bwk n ALA 22 N -1.46 1.28 -0.78 -1.55 0.00 -1.26 -2.47 120.51 114.28 3bwk n ALA 22 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3bwk n ALA 22 Cb 0.48 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3bwk n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bwk n ASP 23 N 0.37 -1.36 -4.72 0.00 8.00 -1.26 -4.97 116.55 112.61 3bwk n ASP 23 Ca 0.06 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 3bwk n ASP 23 Cb 0.39 -1.79 -0.03 0.00 -0.02 0.00 0.00 41.12 39.67 3bwk n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bwk s ALA 24 N -1.92 3.50 -0.13 2.24 0.00 -1.03 -5.04 121.76 119.39 3bwk s ALA 24 Ca 0.00 1.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.97 3bwk s ALA 24 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3bwk s ALA 24 CO 0.00 -0.51 -0.13 0.15 0.00 0.00 0.00 175.76 175.27 3bwk s LYS 25 N 0.71 3.36 0.04 0.00 1.02 -1.26 -4.97 119.74 118.65 3bwk s LYS 25 Ca 0.60 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 3bwk s LYS 25 Cb -0.34 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 3bwk s LYS 25 CO 0.32 0.23 1.22 -1.17 -0.92 0.00 0.00 175.35 175.03 3bwk s LEU 26 N 0.31 4.35 -0.47 3.17 2.96 -1.26 -5.00 118.68 122.74 3bwk s LEU 26 Ca -0.10 2.00 -0.22 0.00 -0.22 0.00 0.00 54.13 55.59 3bwk s LEU 26 Cb -0.16 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.99 3bwk s LEU 26 CO 0.06 -0.51 0.74 -0.62 -1.32 0.00 0.00 176.35 174.70 3bwk s ASP 27 N 1.17 6.35 0.00 3.68 2.15 -1.26 -4.93 116.67 123.83 3bwk s ASP 27 Ca 0.59 -0.32 0.29 0.00 0.43 0.00 0.00 52.55 53.54 3bwk s ASP 27 Cb -0.29 -2.36 1.28 0.00 -0.30 0.00 0.00 42.92 41.24 3bwk s ASP 27 CO 0.28 -0.92 1.87 0.54 -0.17 0.00 0.00 175.17 176.78 3bwk n ARG 28 N 6.62 1.17 0.01 4.34 1.74 -1.26 -4.24 116.66 125.04 3bwk n ARG 28 Ca -0.00 -0.50 -0.08 0.00 -0.77 0.00 0.00 57.85 56.50 3bwk n ARG 28 Cb 0.48 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 3bwk n ARG 28 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bwk h ILE 29 N 1.22 0.71 -2.29 0.55 2.04 -1.91 -3.47 117.51 114.35 3bwk h ILE 29 Ca 0.00 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.49 3bwk h ILE 29 Cb 0.34 1.28 -0.23 0.00 -0.74 0.00 0.00 36.82 37.48 3bwk h ILE 29 CO 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 178.15 178.30 3bwk s ALA 30 N -3.03 -1.49 -0.29 1.87 0.00 -1.26 -3.42 121.76 114.14 3bwk s ALA 30 Ca -0.10 1.85 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 3bwk s ALA 30 Cb -0.00 -1.09 0.13 0.00 0.00 0.00 0.00 23.12 22.16 3bwk s ALA 30 CO 0.35 -0.30 0.84 -0.47 0.00 0.00 0.00 175.76 176.18 3bwk s TYR 31 N 0.90 -0.89 -0.15 0.00 5.04 0.29 -4.96 117.35 117.57 3bwk s TYR 31 Ca -0.05 1.65 -0.01 0.00 -2.44 0.00 0.00 57.07 56.22 3bwk s TYR 31 Cb -0.05 0.54 0.04 0.00 0.35 0.00 0.00 41.96 42.84 3bwk s TYR 31 CO -0.08 -0.44 -0.03 0.34 -1.34 0.00 0.00 175.55 174.00 3bwk s ASP 32 N 2.10 2.63 0.59 4.32 -1.08 -1.26 -0.02 116.67 123.95 3bwk s ASP 32 Ca -0.07 -0.59 0.38 0.00 -0.52 0.00 0.00 52.55 51.75 3bwk s ASP 32 Cb -0.07 -0.78 1.76 0.00 -1.46 0.00 0.00 42.92 42.37 3bwk s ASP 32 CO -0.18 -0.20 2.13 -0.50 0.52 0.00 0.00 175.17 176.93 3bwk h TRP 33 N 8.17 0.00 0.00 -5.34 4.06 -1.73 -1.90 115.95 119.21 3bwk h TRP 33 Ca -0.22 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.69 3bwk h TRP 33 Cb 1.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.27 3bwk h TRP 33 CO 0.43 0.00 -0.16 0.00 -3.56 0.00 0.00 178.44 175.14 3bwk h ARG 34 N 0.00 0.00 -0.01 0.49 3.08 -1.92 -0.27 114.38 115.75 3bwk h ARG 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bwk h ARG 34 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3bwk h ARG 34 CO 0.00 0.16 -0.11 1.28 -1.07 0.00 0.00 179.97 180.23 3bwk n LEU 35 N -3.92 1.06 -0.47 3.04 4.77 -0.72 -4.22 117.00 116.54 3bwk n LEU 35 Ca -0.02 -0.30 0.05 0.00 -0.03 0.00 0.00 56.01 55.71 3bwk n LEU 35 Cb 0.25 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3bwk n LEU 35 CO 0.33 0.19 0.36 1.41 -1.33 0.00 0.00 177.39 178.35 3bwk n HIS 36 N -0.38 0.00 -1.69 -1.77 8.25 -0.78 -5.02 115.22 113.83 3bwk n HIS 36 Ca 0.16 -0.65 -0.08 0.00 -0.26 0.00 0.00 57.72 56.90 3bwk n HIS 36 Cb 0.32 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 3bwk n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bwk n GLY 37 N -0.64 0.50 0.78 -1.41 0.00 -0.87 -4.93 105.19 98.62 3bwk n GLY 37 Ca 0.09 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.56 3bwk n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 38 N -1.52 1.78 2.89 -0.02 0.00 -0.18 -4.42 105.19 103.70 3bwk n GLY 38 Ca -0.08 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 3bwk n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bwk s VAL 39 N -1.09 0.59 0.49 1.61 1.01 -1.25 -4.37 120.40 117.39 3bwk s VAL 39 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3bwk s VAL 39 Cb 0.15 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3bwk s VAL 39 CO 0.21 0.25 0.72 0.42 0.00 0.00 0.00 175.10 176.70 3bwk s THR 40 N 1.09 3.71 0.64 3.92 -4.23 -1.26 -4.95 115.64 114.56 3bwk s THR 40 Ca -0.08 -0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 59.80 3bwk s THR 40 Cb -0.14 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 3bwk s THR 40 CO -0.01 -0.29 0.81 -2.65 -0.54 0.00 0.00 174.62 171.94 3bwk n PRO 41 N -2.20 0.65 -2.13 3.99 -0.02 -1.26 -4.94 135.00 129.09 3bwk n PRO 41 Ca 0.03 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 3bwk n PRO 41 Cb 0.58 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 3bwk n PRO 41 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bwk s VAL 42 N -1.67 2.96 0.46 -1.45 1.01 -1.26 -5.05 120.40 115.41 3bwk s VAL 42 Ca 0.73 0.81 0.06 0.00 0.00 0.00 0.00 61.98 63.58 3bwk s VAL 42 Cb -0.40 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3bwk s VAL 42 CO 0.50 0.13 0.27 -0.54 0.00 0.00 0.00 175.10 175.46 3bwk s LYS 43 N -0.31 2.29 -0.14 2.72 1.02 -1.26 -4.76 119.74 119.29 3bwk s LYS 43 Ca 0.57 -1.88 -0.01 0.00 0.02 0.00 0.00 55.97 54.67 3bwk s LYS 43 Cb -0.39 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.91 3bwk s LYS 43 CO 0.41 -0.29 -0.03 0.34 -0.92 0.00 0.00 175.35 174.85 3bwk s ASP 44 N -4.05 2.50 0.12 2.83 -1.08 -1.26 -1.03 116.67 114.69 3bwk s ASP 44 Ca 0.38 -0.52 0.23 0.00 -0.52 0.00 0.00 52.55 52.12 3bwk s ASP 44 Cb 0.01 -0.77 0.91 0.00 -1.46 0.00 0.00 42.92 41.61 3bwk s ASP 44 CO 0.22 -0.19 1.71 0.00 0.52 0.00 0.00 175.17 177.42 3bwk n GLN 45 N 4.96 0.11 0.00 4.34 10.64 -0.33 -4.92 117.38 132.19 3bwk n GLN 45 Ca -0.11 0.23 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 3bwk n GLN 45 Cb 0.48 -1.67 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 3bwk n GLN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3bwk n ALA 46 N -1.64 0.00 -2.49 2.61 0.00 -1.26 -3.89 120.51 113.85 3bwk n ALA 46 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 3bwk n ALA 46 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3bwk n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3bwk n LEU 47 N 0.00 5.77 -3.64 0.00 0.00 -1.26 -4.84 117.00 113.02 3bwk n LEU 47 Ca 0.00 -4.29 -0.09 0.00 0.00 0.00 0.00 56.01 51.63 3bwk n LEU 47 Cb 0.00 -1.63 -0.07 0.00 0.00 0.00 0.00 43.42 41.72 3bwk n LEU 47 CO 0.00 0.78 0.66 0.00 0.00 0.00 0.00 177.39 178.83 3bwk n GLY 49 N 2.58 3.74 1.58 0.00 0.00 -0.32 -4.59 105.19 108.17 3bwk n GLY 49 Ca -0.14 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 3bwk n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bwk n SER 50 N 1.02 4.08 -0.32 1.61 3.41 -1.26 -3.56 113.62 118.60 3bwk n SER 50 Ca 0.33 -2.78 0.11 0.00 -0.26 0.00 0.00 58.87 56.27 3bwk n SER 50 Cb 0.61 -0.66 0.33 0.00 -0.26 0.00 0.00 64.21 64.23 3bwk n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bwk h TRP 52 N 0.79 0.24 0.19 0.00 5.08 -1.82 0.16 115.95 120.59 3bwk h TRP 52 Ca 0.51 0.01 -0.33 0.00 1.08 0.00 0.00 58.89 60.15 3bwk h TRP 52 Cb 0.73 -0.08 0.01 0.00 -3.00 0.00 0.00 29.16 26.83 3bwk h TRP 52 CO -0.00 0.11 -1.59 0.00 -1.28 0.00 0.00 178.44 175.68 3bwk h ALA 53 N 1.75 0.08 -0.41 0.11 0.00 -1.54 -2.66 119.26 116.59 3bwk h ALA 53 Ca 0.23 -1.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 3bwk h ALA 53 Cb 0.63 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3bwk h ALA 53 CO -0.04 0.94 0.11 0.74 0.00 0.00 0.00 179.25 181.00 3bwk h PHE 54 N 0.11 0.68 0.81 0.00 -1.00 -0.93 -0.98 116.94 115.62 3bwk h PHE 54 Ca -0.28 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.39 3bwk h PHE 54 Cb 2.10 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 41.47 3bwk h PHE 54 CO 0.10 0.64 -0.44 1.03 -1.61 0.00 0.00 178.31 178.03 3bwk h SER 55 N 0.52 -1.07 -0.01 2.17 0.87 -0.81 -0.65 113.55 114.57 3bwk h SER 55 Ca 0.13 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3bwk h SER 55 Cb 0.29 0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3bwk h SER 55 CO -0.00 -0.71 0.00 0.77 -0.53 0.00 0.00 176.83 176.36 3bwk h SER 56 N -1.15 0.01 -0.96 6.23 4.64 -1.52 -1.94 113.55 118.86 3bwk h SER 56 Ca -0.11 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3bwk h SER 56 Cb 0.90 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.94 3bwk h SER 56 CO 0.15 0.26 0.58 0.58 -0.87 0.00 0.00 176.83 177.53 3bwk h VAL 57 N -0.24 1.26 -0.91 0.95 2.07 -1.26 -2.77 116.25 115.36 3bwk h VAL 57 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3bwk h VAL 57 Cb 0.25 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 3bwk h VAL 57 CO 0.00 0.27 0.51 1.23 0.02 0.00 0.00 177.57 179.60 3bwk h GLY 58 N 1.32 1.34 1.93 2.17 0.00 -0.99 -0.19 103.07 108.66 3bwk h GLY 58 Ca 0.34 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 3bwk h GLY 58 CO -0.07 0.57 -0.31 1.48 0.00 0.00 0.00 176.54 178.22 3bwk h SER 59 N 1.26 0.08 -0.16 0.19 4.64 -1.09 -1.46 113.55 117.02 3bwk h SER 59 Ca 0.32 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.48 3bwk h SER 59 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3bwk h SER 59 CO -0.05 0.39 -0.44 0.58 -0.87 0.00 0.00 176.83 176.43 3bwk h VAL 60 N 0.08 1.34 -0.55 0.95 2.07 -1.10 -1.63 116.25 117.40 3bwk h VAL 60 Ca 0.01 -1.71 0.10 0.00 0.82 0.00 0.00 66.70 65.92 3bwk h VAL 60 Cb 0.59 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 3bwk h VAL 60 CO 0.04 0.52 0.13 -0.33 0.02 0.00 0.00 177.57 177.96 3bwk h GLU 61 N 0.23 0.27 -0.62 1.57 5.08 -0.81 -0.49 114.58 119.81 3bwk h GLU 61 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3bwk h GLU 61 Cb 1.06 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3bwk h GLU 61 CO 0.10 0.18 0.39 0.77 -1.00 0.00 0.00 179.01 179.45 3bwk h SER 62 N 0.27 0.66 -0.35 1.42 0.02 -1.19 -0.44 113.55 113.95 3bwk h SER 62 Ca 0.28 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3bwk h SER 62 Cb 0.39 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3bwk h SER 62 CO -0.35 0.47 0.06 1.56 -1.14 0.00 0.00 176.83 177.42 3bwk h GLN 63 N 0.79 0.58 -0.63 3.45 1.08 -0.74 -1.10 115.11 118.54 3bwk h GLN 63 Ca 0.24 -0.16 0.09 0.00 -1.45 0.00 0.00 58.65 57.37 3bwk h GLN 63 Cb -0.03 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.27 3bwk h GLN 63 CO -0.08 0.65 0.27 1.88 -0.95 0.00 0.00 178.83 180.60 3bwk h TYR 64 N 0.41 0.48 -0.60 2.96 -1.99 -1.02 -0.32 116.97 116.89 3bwk h TYR 64 Ca 0.11 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.82 3bwk h TYR 64 Cb 0.36 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 3bwk h TYR 64 CO 0.02 0.15 0.21 0.00 -0.00 0.00 0.00 178.16 178.55 3bwk h ALA 65 N 1.40 0.78 -0.15 3.88 0.00 -0.68 -0.01 119.26 124.48 3bwk h ALA 65 Ca 0.31 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3bwk h ALA 65 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3bwk h ALA 65 CO -0.28 0.43 -0.29 0.82 0.00 0.00 0.00 179.25 179.93 3bwk h ILE 66 N 0.85 1.36 0.04 0.00 2.04 -1.01 -0.97 117.51 119.81 3bwk h ILE 66 Ca 0.20 -1.54 -0.28 0.00 1.00 0.00 0.00 64.86 64.24 3bwk h ILE 66 Cb 0.25 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3bwk h ILE 66 CO -0.01 0.46 -1.52 0.03 0.00 0.00 0.00 178.15 177.11 3bwk h ARG 67 N 0.09 0.09 0.00 2.37 2.47 -1.01 -3.36 114.38 115.03 3bwk h ARG 67 Ca 0.01 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3bwk h ARG 67 Cb 0.88 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 3bwk h ARG 67 CO 0.06 0.83 -0.71 1.63 0.56 0.00 0.00 179.97 182.35 3bwk n LYS 68 N -3.26 2.15 -3.72 0.04 5.02 -0.02 -5.02 118.16 113.35 3bwk n LYS 68 Ca -0.14 -0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.92 3bwk n LYS 68 Cb 1.02 -1.19 0.04 0.00 -0.02 0.00 0.00 35.03 34.88 3bwk n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bwk n LYS 69 N -1.36 -5.36 -3.92 1.97 5.02 -0.37 -4.97 118.16 109.17 3bwk n LYS 69 Ca 0.03 0.65 -0.09 0.00 -2.02 0.00 0.00 58.31 56.88 3bwk n LYS 69 Cb 0.23 -5.34 -0.04 0.00 -0.02 0.00 0.00 35.03 29.85 3bwk n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bwk s ALA 70 N -3.54 -0.56 -0.26 7.82 0.00 -1.25 -5.07 121.76 118.89 3bwk s ALA 70 Ca 0.18 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 3bwk s ALA 70 Cb -0.09 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 3bwk s ALA 70 CO 0.80 -0.88 0.41 -1.17 0.00 0.00 0.00 175.76 174.93 3bwk s LEU 71 N -2.97 4.05 -0.12 0.00 2.96 -1.26 -4.14 118.68 117.20 3bwk s LEU 71 Ca 0.18 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3bwk s LEU 71 Cb -0.02 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.20 3bwk s LEU 71 CO 0.06 -0.20 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.39 3bwk s PHE 72 N 2.04 2.05 -0.21 5.38 0.40 -1.26 -5.09 117.98 121.29 3bwk s PHE 72 Ca 0.17 -1.03 0.01 0.00 -0.60 0.00 0.00 56.93 55.48 3bwk s PHE 72 Cb -0.16 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 41.92 3bwk s PHE 72 CO 0.09 -0.55 -0.15 -0.51 0.70 0.00 0.00 175.22 174.80 3bwk s LEU 73 N 1.16 2.65 0.47 -0.37 1.43 -1.26 -4.77 118.68 117.99 3bwk s LEU 73 Ca -0.03 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 3bwk s LEU 73 Cb -0.14 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3bwk s LEU 73 CO -0.05 -0.07 0.28 -0.36 0.23 0.00 0.00 176.35 176.38 3bwk s PHE 74 N 1.25 2.17 -0.35 0.29 2.99 -1.26 -0.74 117.98 122.33 3bwk s PHE 74 Ca 0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 56.93 56.13 3bwk s PHE 74 Cb -0.15 -1.94 0.02 0.00 0.00 0.00 0.00 43.02 40.95 3bwk s PHE 74 CO -0.09 -0.11 0.17 0.45 -0.00 0.00 0.00 175.22 175.64 3bwk s SER 75 N -4.08 5.59 0.30 1.36 0.15 -0.04 -4.06 113.70 112.93 3bwk s SER 75 Ca 0.36 -0.91 0.06 0.00 0.70 0.00 0.00 55.95 56.16 3bwk s SER 75 Cb 0.00 -1.99 0.48 0.00 -1.71 0.00 0.00 66.02 62.80 3bwk s SER 75 CO 0.21 -0.33 1.72 -0.33 1.20 0.00 0.00 173.24 175.71 3bwk h GLU 76 N 8.37 0.29 -0.48 5.44 3.07 -1.88 -3.28 114.58 126.11 3bwk h GLU 76 Ca -0.27 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.46 3bwk h GLU 76 Cb 1.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 3bwk h GLU 76 CO 0.64 0.61 0.27 0.37 -1.40 0.00 0.00 179.01 179.50 3bwk h GLN 77 N 0.25 0.65 -0.80 2.33 5.75 -1.86 -1.70 115.11 119.73 3bwk h GLN 77 Ca 0.03 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3bwk h GLN 77 Cb 0.75 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.12 3bwk h GLN 77 CO 0.06 0.48 0.52 1.49 -2.65 0.00 0.00 178.83 178.73 3bwk h GLU 78 N 0.66 1.00 -0.30 1.69 4.81 -1.82 0.22 114.58 120.84 3bwk h GLU 78 Ca 0.17 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3bwk h GLU 78 Cb 0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3bwk h GLU 78 CO -0.03 0.66 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.66 3bwk h LEU 79 N 1.03 0.68 -0.46 1.64 3.38 -1.57 0.20 115.31 120.22 3bwk h LEU 79 Ca 0.31 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3bwk h LEU 79 Cb -0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3bwk h LEU 79 CO -0.09 0.96 0.19 0.58 0.09 0.00 0.00 178.44 180.16 3bwk h VAL 80 N 0.40 0.89 -0.10 1.22 2.07 -1.00 0.15 116.25 119.88 3bwk h VAL 80 Ca 0.06 -0.13 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 3bwk h VAL 80 Cb 0.72 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3bwk h VAL 80 CO 0.05 0.07 -0.81 0.44 0.02 0.00 0.00 177.57 177.34 3bwk h ASP 81 N 0.37 0.77 0.00 0.57 3.32 -0.47 -3.38 116.42 117.60 3bwk h ASP 81 Ca 0.21 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3bwk h ASP 81 Cb 0.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3bwk h ASP 81 CO -0.19 1.30 -1.03 0.00 -1.72 0.00 0.00 179.24 177.60 3bwk s SER 83 N -2.53 5.88 0.50 0.00 0.15 0.50 -4.85 113.70 113.35 3bwk s SER 83 Ca -0.01 -0.28 0.29 0.00 0.70 0.00 0.00 55.95 56.65 3bwk s SER 83 Cb 0.05 -2.55 1.04 0.00 -1.71 0.00 0.00 66.02 62.85 3bwk s SER 83 CO 0.33 -2.01 1.86 -0.37 1.20 0.00 0.00 173.24 174.25 3bwk h VAL 84 N 6.38 0.16 0.00 4.45 -1.51 -1.91 -2.69 116.25 121.13 3bwk h VAL 84 Ca -0.23 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 3bwk h VAL 84 Cb 1.08 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 3bwk h VAL 84 CO 1.27 0.07 0.00 0.29 -1.23 0.00 0.00 177.57 177.97 3bwk n LYS 85 N -3.17 0.08 -3.36 5.19 5.02 -1.26 -4.83 118.16 115.83 3bwk n LYS 85 Ca 0.01 0.14 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 3bwk n LYS 85 Cb 0.39 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 3bwk n LYS 85 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bwk n ASN 86 N -1.76 2.51 -2.42 4.39 3.02 -1.01 -4.88 115.26 115.11 3bwk n ASN 86 Ca 0.06 -2.34 -0.14 0.00 -0.03 0.00 0.00 54.58 52.13 3bwk n ASN 86 Cb 0.32 0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.62 3bwk n ASN 86 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bwk n ASN 87 N -1.57 3.35 0.00 6.41 3.02 0.13 -4.96 115.26 121.65 3bwk n ASN 87 Ca -0.07 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 3bwk n ASN 87 Cb 0.41 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3bwk n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bwk n GLY 88 N -0.62 2.94 0.17 7.41 0.00 -1.25 -0.77 105.19 113.08 3bwk n GLY 88 Ca 0.27 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.52 3bwk n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwk n TYR 90 N -2.39 0.00 0.00 0.00 4.02 0.05 -1.18 117.16 117.67 3bwk n TYR 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3bwk n TYR 90 Cb 0.16 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3bwk n TYR 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bwk n GLY 91 N 1.33 1.27 0.00 2.72 0.00 -1.01 -4.95 105.19 104.55 3bwk n GLY 91 Ca 0.12 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3bwk n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 92 N -1.03 0.73 3.04 -0.02 0.00 -1.26 -0.70 105.19 105.96 3bwk n GLY 92 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 3bwk n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bwk s TYR 93 N -2.25 0.62 0.07 1.61 1.51 -1.26 -4.86 117.35 112.80 3bwk s TYR 93 Ca 0.00 -0.44 -0.20 0.00 -1.01 0.00 0.00 57.07 55.42 3bwk s TYR 93 Cb 0.00 -0.38 -0.10 0.00 -0.11 0.00 0.00 41.96 41.37 3bwk s TYR 93 CO 0.00 -0.08 1.52 0.82 -1.11 0.00 0.00 175.55 176.70 3bwk h ILE 94 N 4.57 1.24 -0.47 2.71 2.04 -1.99 -2.39 117.51 123.22 3bwk h ILE 94 Ca -0.35 -0.82 -0.13 0.00 1.00 0.00 0.00 64.86 64.56 3bwk h ILE 94 Cb 1.20 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3bwk h ILE 94 CO 0.42 0.25 -0.23 0.71 0.00 0.00 0.00 178.15 179.30 3bwk h THR 95 N 0.12 1.27 -0.54 -0.27 1.35 -1.97 -1.95 112.91 110.92 3bwk h THR 95 Ca 0.06 -1.39 0.08 0.00 -0.55 0.00 0.00 66.41 64.60 3bwk h THR 95 Cb 0.36 1.14 -0.07 0.00 -1.73 0.00 0.00 68.15 67.86 3bwk h THR 95 CO 0.01 0.48 0.18 0.78 -0.25 0.00 0.00 175.52 176.72 3bwk h ASN 96 N 0.85 0.16 -0.03 5.36 4.21 -1.93 0.34 115.58 124.54 3bwk h ASN 96 Ca 0.11 0.07 0.03 0.00 1.21 0.00 0.00 56.30 57.72 3bwk h ASN 96 Cb 0.81 0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 38.04 3bwk h ASN 96 CO 0.07 0.11 -0.18 0.00 -1.29 0.00 0.00 177.43 176.13 3bwk h ALA 97 N 1.37 -0.20 -0.78 -0.83 0.00 -1.12 -1.02 119.26 116.68 3bwk h ALA 97 Ca 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3bwk h ALA 97 Cb 0.31 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3bwk h ALA 97 CO -0.28 -0.67 0.39 0.74 0.00 0.00 0.00 179.25 179.43 3bwk h PHE 98 N -0.28 1.12 -0.76 0.00 0.04 -0.94 -0.97 116.94 115.13 3bwk h PHE 98 Ca 0.07 -0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.84 3bwk h PHE 98 Cb 0.37 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 38.12 3bwk h PHE 98 CO -0.25 0.81 0.46 -0.44 -0.60 0.00 0.00 178.31 178.29 3bwk h ASP 99 N 1.10 0.71 0.60 2.17 3.32 -0.66 -2.48 116.42 121.19 3bwk h ASP 99 Ca 0.27 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 3bwk h ASP 99 Cb 0.10 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3bwk h ASP 99 CO -0.04 0.46 -0.76 0.44 -1.72 0.00 0.00 179.24 177.62 3bwk h ASP 100 N 0.84 0.15 -0.93 6.45 3.45 -0.95 -0.94 116.42 124.49 3bwk h ASP 100 Ca 0.33 -0.11 0.08 0.00 0.43 0.00 0.00 57.03 57.76 3bwk h ASP 100 Cb 0.16 -0.05 -0.06 0.00 -0.56 0.00 0.00 39.33 38.82 3bwk h ASP 100 CO -0.17 0.86 0.60 0.24 -1.57 0.00 0.00 179.24 179.20 3bwk h MET 101 N 0.08 1.00 -0.00 3.56 2.86 -0.92 0.87 114.93 122.37 3bwk h MET 101 Ca -0.02 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3bwk h MET 101 Cb 1.34 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3bwk h MET 101 CO 0.11 0.66 -0.13 0.82 1.06 0.00 0.00 176.91 179.43 3bwk h ILE 102 N 1.03 1.57 -0.30 -1.22 2.04 -1.29 -0.37 117.51 118.96 3bwk h ILE 102 Ca 0.41 -1.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.33 3bwk h ILE 102 Cb 0.26 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 3bwk h ILE 102 CO -0.17 0.50 -0.19 0.44 0.00 0.00 0.00 178.15 178.73 3bwk h ASP 103 N -0.61 0.55 0.92 1.72 3.32 -1.02 -2.65 116.42 118.64 3bwk h ASP 103 Ca -0.01 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3bwk h ASP 103 Cb 0.88 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3bwk h ASP 103 CO 0.03 0.75 0.00 0.18 -1.72 0.00 0.00 179.24 178.47 3bwk n LEU 104 N -4.15 0.59 0.00 1.55 4.77 0.29 -4.90 117.00 115.16 3bwk n LEU 104 Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 3bwk n LEU 104 Cb 0.38 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3bwk n LEU 104 CO 0.42 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3bwk n GLY 105 N 0.43 0.97 0.00 -0.72 0.00 -1.00 -5.01 105.19 99.87 3bwk n GLY 105 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3bwk n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 106 N -2.05 1.35 3.91 -0.02 0.00 -0.15 -4.59 105.19 103.62 3bwk n GLY 106 Ca 0.00 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 3bwk n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwk s LEU 107 N 0.00 3.61 0.23 0.99 1.43 0.16 -4.73 118.68 120.37 3bwk s LEU 107 Ca 0.00 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 3bwk s LEU 107 Cb 0.00 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 3bwk s LEU 107 CO 0.00 -0.59 0.19 0.00 0.23 0.00 0.00 176.35 176.18 3bwk s SER 109 N -3.67 5.51 0.25 0.00 1.04 -1.26 -0.86 113.70 114.71 3bwk s SER 109 Ca 0.32 2.22 -0.04 0.00 0.48 0.00 0.00 55.95 58.94 3bwk s SER 109 Cb -0.08 -2.58 0.42 0.00 0.10 0.00 0.00 66.02 63.87 3bwk s SER 109 CO 0.25 -1.37 1.81 -0.61 0.98 0.00 0.00 173.24 174.30 3bwk h GLN 110 N 0.99 0.78 0.00 4.02 4.15 -1.07 -2.39 115.11 121.59 3bwk h GLN 110 Ca -0.50 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 58.77 3bwk h GLN 110 Cb 1.27 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 3bwk h GLN 110 CO 0.56 0.51 -0.50 -0.44 -1.93 0.00 0.00 178.83 177.03 3bwk h ASP 111 N 0.80 0.00 0.76 -0.69 3.32 -1.93 -2.79 116.42 115.90 3bwk h ASP 111 Ca 0.41 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.30 3bwk h ASP 111 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3bwk h ASP 111 CO -0.26 0.50 -0.74 0.44 -1.72 0.00 0.00 179.24 177.46 3bwk h ASP 112 N 0.00 0.00 -2.21 6.45 3.32 -1.79 -3.40 116.42 118.80 3bwk h ASP 112 Ca -0.01 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3bwk h ASP 112 Cb 1.08 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.24 3bwk h ASP 112 CO 0.07 0.74 -1.03 0.00 -1.72 0.00 0.00 179.24 177.30 3bwk n TYR 113 N -3.64 -0.61 -1.31 4.55 -0.00 -0.94 -4.64 117.16 110.58 3bwk n TYR 113 Ca -0.01 -3.43 -0.32 0.00 -0.00 0.00 0.00 57.90 54.14 3bwk n TYR 113 Cb 0.73 -0.02 0.09 0.00 -0.00 0.00 0.00 39.34 40.14 3bwk n TYR 113 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 3bwk s PRO 114 N -0.52 2.19 -0.05 2.98 0.02 -1.06 -4.55 135.00 134.02 3bwk s PRO 114 Ca 0.34 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 3bwk s PRO 114 Cb 0.10 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 3bwk s PRO 114 CO -0.16 -1.71 1.05 -0.47 -0.33 0.00 0.00 177.00 175.38 3bwk s TYR 115 N -2.66 3.49 -0.08 6.54 5.04 -1.26 -4.78 117.35 123.65 3bwk s TYR 115 Ca 0.64 1.53 0.11 0.00 -2.44 0.00 0.00 57.07 56.92 3bwk s TYR 115 Cb -0.20 -3.23 0.17 0.00 0.35 0.00 0.00 41.96 39.05 3bwk s TYR 115 CO 0.52 -0.45 1.06 1.33 -1.34 0.00 0.00 175.55 176.67 3bwk n VAL 116 N 4.31 1.26 0.00 3.14 0.24 -1.26 -5.09 118.33 120.94 3bwk n VAL 116 Ca 0.08 -1.48 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 3bwk n VAL 116 Cb 0.49 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3bwk n VAL 116 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3bwk n SER 117 N -0.92 0.00 -0.04 -1.34 3.41 -1.26 -1.53 113.62 111.95 3bwk n SER 117 Ca 0.09 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.85 3bwk n SER 117 Cb 0.58 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.31 3bwk n SER 117 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3bwk n ASN 118 N 5.89 0.15 -4.64 4.04 0.23 -1.26 -4.83 115.26 114.84 3bwk n ASN 118 Ca 0.00 -0.54 -0.43 0.00 -0.53 0.00 0.00 54.58 53.08 3bwk n ASN 118 Cb 0.00 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 37.53 3bwk n ASN 118 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3bwk s LEU 119 N -2.36 4.09 0.29 -4.53 0.20 -0.58 -4.95 118.68 110.84 3bwk s LEU 119 Ca 0.35 1.97 -0.30 0.00 0.69 0.00 0.00 54.13 56.83 3bwk s LEU 119 Cb 0.21 -3.53 -0.11 0.00 -0.43 0.00 0.00 46.19 42.32 3bwk s LEU 119 CO 0.43 -1.14 1.58 -2.84 -0.29 0.00 0.00 176.35 174.10 3bwk s PRO 120 N 4.47 4.13 -0.09 0.98 0.02 -1.26 -4.93 135.00 138.32 3bwk s PRO 120 Ca 0.75 2.55 -0.06 0.00 0.02 0.00 0.00 61.00 64.26 3bwk s PRO 120 Cb -0.30 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.22 3bwk s PRO 120 CO 0.30 -0.61 0.22 -2.00 -0.33 0.00 0.00 177.00 174.58 3bwk s GLU 121 N -0.48 0.22 0.50 5.54 2.12 -1.26 -5.14 118.70 120.19 3bwk s GLU 121 Ca 0.63 0.41 -0.20 0.00 0.36 0.00 0.00 54.97 56.18 3bwk s GLU 121 Cb -0.47 -0.02 -0.08 0.00 0.26 0.00 0.00 34.13 33.82 3bwk s GLU 121 CO 0.47 -0.10 1.04 0.99 -0.54 0.00 0.00 175.26 177.12 3bwk s THR 122 N 0.73 3.80 -0.01 -1.70 2.01 -1.26 -4.78 115.64 114.43 3bwk s THR 122 Ca -0.05 1.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 3bwk s THR 122 Cb -0.06 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 3bwk s THR 122 CO -0.04 -0.29 1.52 0.00 -0.69 0.00 0.00 174.62 175.12 3bwk s ASN 124 N 2.39 2.03 0.00 0.00 2.47 -1.26 -4.99 114.94 115.58 3bwk s ASN 124 Ca 0.68 -1.80 0.21 0.00 0.42 0.00 0.00 52.86 52.37 3bwk s ASN 124 Cb -0.33 0.12 0.94 0.00 -1.45 0.00 0.00 41.25 40.52 3bwk s ASN 124 CO 0.28 -0.29 1.68 0.18 -3.72 0.00 0.00 177.10 175.23 3bwk n LEU 125 N 4.23 0.00 0.32 3.21 4.77 -1.26 -2.35 117.00 125.92 3bwk n LEU 125 Ca 0.10 0.46 0.21 0.00 -0.03 0.00 0.00 56.01 56.75 3bwk n LEU 125 Cb 0.42 -0.46 1.08 0.00 -2.33 0.00 0.00 43.42 42.13 3bwk n LEU 125 CO 0.10 -0.13 1.14 0.11 -1.33 0.00 0.00 177.39 177.29 3bwk h LYS 126 N 0.00 0.00 0.00 3.23 1.57 -2.02 -2.57 116.57 116.78 3bwk h LYS 126 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3bwk h LYS 126 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3bwk h LYS 126 CO 0.00 0.01 -0.21 0.00 -0.57 0.00 0.00 179.45 178.67 3bwk h ARG 127 N 0.00 0.00 -6.33 3.15 3.08 -1.82 -3.43 114.38 109.03 3bwk h ARG 127 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3bwk h ARG 127 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3bwk h ARG 127 CO 0.00 0.21 0.23 0.00 -1.07 0.00 0.00 179.97 179.34 3bwk n ASN 129 N 3.17 0.00 -4.86 0.00 4.13 -1.26 -4.98 115.26 111.46 3bwk n ASN 129 Ca 0.00 0.11 -0.32 0.00 1.68 0.00 0.00 54.58 56.06 3bwk n ASN 129 Cb 0.50 -0.26 -0.05 0.00 -1.54 0.00 0.00 39.78 38.43 3bwk n ASN 129 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3bwk s GLU 130 N -0.52 3.90 0.12 3.52 2.56 -1.26 -5.09 118.70 121.94 3bwk s GLU 130 Ca 0.00 0.50 0.08 0.00 0.00 0.00 0.00 54.97 55.55 3bwk s GLU 130 Cb 0.00 -2.50 -0.04 0.00 2.00 0.00 0.00 34.13 33.59 3bwk s GLU 130 CO 0.00 0.19 -0.19 1.03 -0.56 0.00 0.00 175.26 175.73 3bwk s ARG 131 N -3.04 1.15 -0.20 4.30 1.81 -1.26 -4.40 118.95 117.31 3bwk s ARG 131 Ca 0.51 -1.24 -0.03 0.00 -1.72 0.00 0.00 55.73 53.25 3bwk s ARG 131 Cb -0.11 -1.29 0.06 0.00 -0.45 0.00 0.00 34.95 33.17 3bwk s ARG 131 CO 0.20 0.28 0.05 0.71 -0.68 0.00 0.00 175.30 175.87 3bwk s TYR 132 N -1.58 0.89 0.32 -0.53 2.02 -0.58 -4.90 117.35 113.00 3bwk s TYR 132 Ca 0.09 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 56.03 3bwk s TYR 132 Cb -0.08 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3bwk s TYR 132 CO 0.05 -0.62 0.46 0.95 -1.57 0.00 0.00 175.55 174.82 3bwk s THR 133 N 1.90 4.50 0.32 -0.71 -4.23 -1.26 0.38 115.64 116.55 3bwk s THR 133 Ca 0.01 -0.92 0.10 0.00 -1.18 0.00 0.00 61.69 59.70 3bwk s THR 133 Cb -0.17 -3.58 -0.06 0.00 1.34 0.00 0.00 72.50 70.03 3bwk s THR 133 CO -0.11 -0.25 -0.13 0.27 -0.54 0.00 0.00 174.62 173.87 3bwk s ILE 134 N -2.16 2.33 -0.22 2.99 -4.36 -1.26 -4.95 121.20 113.57 3bwk s ILE 134 Ca 0.42 -2.26 -0.04 0.00 -0.26 0.00 0.00 60.65 58.50 3bwk s ILE 134 Cb -0.09 -2.54 -0.19 0.00 1.25 0.00 0.00 42.46 40.89 3bwk s ILE 134 CO 0.31 -0.26 -0.07 1.17 0.24 0.00 0.00 174.94 176.33 3bwk n LYS 135 N -0.74 0.66 -2.42 0.37 4.81 0.12 -4.87 118.16 116.09 3bwk n LYS 135 Ca -0.05 0.22 -0.03 0.00 -0.87 0.00 0.00 58.31 57.59 3bwk n LYS 135 Cb 0.62 -1.58 0.01 0.00 0.02 0.00 0.00 35.03 34.11 3bwk n LYS 135 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3bwk n SER 136 N -3.55 -0.92 -3.87 3.14 3.41 -1.08 -5.01 113.62 105.75 3bwk n SER 136 Ca -0.43 -1.56 -0.09 0.00 -0.26 0.00 0.00 58.87 56.53 3bwk n SER 136 Cb 0.97 1.51 -0.07 0.00 -0.26 0.00 0.00 64.21 66.36 3bwk n SER 136 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3bwk s TYR 137 N -4.98 0.18 -0.02 7.33 1.13 -1.14 0.20 117.35 120.06 3bwk s TYR 137 Ca 0.09 -0.61 0.02 0.00 -1.41 0.00 0.00 57.07 55.16 3bwk s TYR 137 Cb -0.02 -0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 3bwk s TYR 137 CO 0.04 -0.56 -0.05 0.54 -2.51 0.00 0.00 175.55 173.00 3bwk s VAL 138 N -3.87 0.49 0.09 -3.49 0.11 -0.03 -0.77 120.40 112.93 3bwk s VAL 138 Ca 0.06 -0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 3bwk s VAL 138 Cb 0.05 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.39 3bwk s VAL 138 CO -0.10 0.17 1.07 -0.55 -3.33 0.00 0.00 175.10 172.35 3bwk s SER 139 N 0.23 7.29 -0.29 3.54 0.15 -1.26 -1.24 113.70 122.13 3bwk s SER 139 Ca -0.03 1.90 -0.12 0.00 0.70 0.00 0.00 55.95 58.40 3bwk s SER 139 Cb -0.07 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 3bwk s SER 139 CO -0.00 -0.26 0.25 -0.63 1.20 0.00 0.00 173.24 173.80 3bwk s ILE 140 N 0.45 5.27 0.61 6.45 -1.09 -0.02 -4.53 121.20 128.34 3bwk s ILE 140 Ca 0.52 0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.96 3bwk s ILE 140 Cb -0.26 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 3bwk s ILE 140 CO 0.31 0.18 1.28 -2.84 -1.23 0.00 0.00 174.94 172.63 3bwk s PRO 141 N 1.84 2.81 0.61 2.79 0.02 -1.26 -4.65 135.00 137.16 3bwk s PRO 141 Ca 0.09 2.02 0.37 0.00 0.02 0.00 0.00 61.00 63.50 3bwk s PRO 141 Cb -0.16 -1.96 1.96 0.00 0.02 0.00 0.00 34.50 34.36 3bwk s PRO 141 CO 0.11 -1.39 2.23 -0.44 -0.33 0.00 0.00 177.00 177.18 3bwk h ASP 142 N 0.85 0.00 -0.36 2.53 3.32 -1.96 -1.09 116.42 119.71 3bwk h ASP 142 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3bwk h ASP 142 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3bwk h ASP 142 CO 0.55 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.19 3bwk n ASP 143 N -3.31 1.98 -0.23 6.45 5.75 -1.26 -4.43 116.55 121.49 3bwk n ASP 143 Ca -0.02 -1.97 0.04 0.00 -0.01 0.00 0.00 54.79 52.82 3bwk n ASP 143 Cb 0.15 -0.24 0.06 0.00 -1.03 0.00 0.00 41.12 40.06 3bwk n ASP 143 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3bwk n LYS 144 N 0.57 0.78 -0.13 0.11 4.76 -0.41 -4.88 118.16 118.96 3bwk n LYS 144 Ca 0.13 -1.62 -0.10 0.00 -2.87 0.00 0.00 58.31 53.85 3bwk n LYS 144 Cb 0.32 -0.94 -0.01 0.00 -1.84 0.00 0.00 35.03 32.55 3bwk n LYS 144 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 3bwk h PHE 145 N 0.00 0.63 -0.50 2.13 0.04 -1.78 0.07 116.94 117.54 3bwk h PHE 145 Ca 0.00 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 3bwk h PHE 145 Cb 1.12 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 3bwk h PHE 145 CO 0.04 0.61 0.00 0.87 -0.60 0.00 0.00 178.31 179.24 3bwk h LYS 146 N 0.47 0.88 -0.33 1.51 1.57 -1.87 0.86 116.57 119.65 3bwk h LYS 146 Ca 0.12 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3bwk h LYS 146 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3bwk h LYS 146 CO -0.00 0.91 0.16 1.49 -0.57 0.00 0.00 179.45 181.44 3bwk h GLU 147 N 0.74 0.47 -0.49 3.15 4.81 -1.90 -1.75 114.58 119.62 3bwk h GLU 147 Ca 0.14 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3bwk h GLU 147 Cb 0.51 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3bwk h GLU 147 CO 0.02 0.42 0.13 0.00 -0.73 0.00 0.00 179.01 178.86 3bwk h ALA 148 N 1.02 0.64 -0.47 2.92 0.00 -0.84 -2.33 119.26 120.19 3bwk h ALA 148 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3bwk h ALA 148 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3bwk h ALA 148 CO -0.02 0.32 0.30 -0.07 0.00 0.00 0.00 179.25 179.78 3bwk h LEU 149 N 0.66 0.49 -0.59 0.00 -0.00 -0.72 0.25 115.31 115.42 3bwk h LEU 149 Ca 0.16 -0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.89 3bwk h LEU 149 Cb 0.30 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 3bwk h LEU 149 CO -0.00 0.35 -0.41 -0.09 -0.00 0.00 0.00 178.44 178.29 3bwk h ARG 150 N 0.60 0.66 0.00 1.13 9.65 -1.21 -2.88 114.38 122.33 3bwk h ARG 150 Ca 0.18 -0.35 -0.05 0.00 -1.10 0.00 0.00 59.98 58.67 3bwk h ARG 150 Cb -0.02 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 3bwk h ARG 150 CO -0.07 0.95 -1.54 0.66 2.80 0.00 0.00 179.97 182.78 3bwk n TYR 151 N -4.03 0.00 -0.13 2.20 4.02 -0.89 -4.71 117.16 113.62 3bwk n TYR 151 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.60 3bwk n TYR 151 Cb 0.53 -0.31 -0.09 0.00 -0.02 0.00 0.00 39.34 39.45 3bwk n TYR 151 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3bwk n LEU 152 N -2.01 1.82 0.00 7.72 4.32 0.74 -4.75 117.00 124.85 3bwk n LEU 152 Ca -0.06 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 3bwk n LEU 152 Cb 0.43 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 3bwk n LEU 152 CO 0.22 0.51 0.00 0.61 -1.22 0.00 0.00 177.39 177.51 3bwk n GLY 153 N 1.39 0.66 3.66 -0.72 0.00 -0.33 -4.97 105.19 104.88 3bwk n GLY 153 Ca -0.50 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 42.98 3bwk n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bwk n PRO 154 N -0.29 1.82 -4.49 1.61 -0.02 -1.26 -4.06 135.00 128.32 3bwk n PRO 154 Ca 0.00 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 3bwk n PRO 154 Cb 0.00 -2.20 -0.14 0.00 -0.02 0.00 0.00 33.50 31.14 3bwk n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bwk s ILE 155 N -1.14 3.35 -0.24 4.25 1.01 -0.43 -4.77 121.20 123.24 3bwk s ILE 155 Ca 0.58 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 3bwk s ILE 155 Cb -0.58 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.44 3bwk s ILE 155 CO 0.60 0.50 1.19 -0.55 0.00 0.00 0.00 174.94 176.68 3bwk s SER 156 N 0.58 6.91 0.08 3.58 0.15 0.00 -0.30 113.70 124.71 3bwk s SER 156 Ca -0.06 1.40 0.05 0.00 0.70 0.00 0.00 55.95 58.03 3bwk s SER 156 Cb -0.15 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 3bwk s SER 156 CO 0.03 -0.84 -0.12 0.27 1.20 0.00 0.00 173.24 173.78 3bwk s ILE 157 N 3.67 1.04 0.58 6.45 -4.36 -0.39 -0.69 121.20 127.49 3bwk s ILE 157 Ca 0.51 -1.43 -0.13 0.00 -0.26 0.00 0.00 60.65 59.34 3bwk s ILE 157 Cb -0.17 -1.17 -0.05 0.00 1.25 0.00 0.00 42.46 42.32 3bwk s ILE 157 CO 0.15 -0.36 1.01 -0.94 0.24 0.00 0.00 174.94 175.04 3bwk s SER 158 N -2.02 6.35 -0.04 4.36 1.04 -0.70 -0.69 113.70 122.00 3bwk s SER 158 Ca 0.01 1.49 -0.17 0.00 0.48 0.00 0.00 55.95 57.75 3bwk s SER 158 Cb -0.07 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.59 3bwk s SER 158 CO 0.02 -0.78 0.38 -0.51 0.98 0.00 0.00 173.24 173.33 3bwk s ILE 159 N -2.95 0.04 -0.79 -1.02 2.07 -0.31 -1.14 121.20 117.09 3bwk s ILE 159 Ca 0.57 -0.32 -0.16 0.00 -1.41 0.00 0.00 60.65 59.33 3bwk s ILE 159 Cb -0.11 -0.67 0.18 0.00 0.13 0.00 0.00 42.46 42.00 3bwk s ILE 159 CO 0.45 -0.18 0.79 0.00 -1.91 0.00 0.00 174.94 174.10 3bwk s ALA 160 N -1.05 3.85 -0.10 1.50 0.00 -0.21 -1.44 121.76 124.31 3bwk s ALA 160 Ca -0.11 -3.04 -0.18 0.00 0.00 0.00 0.00 51.96 48.63 3bwk s ALA 160 Cb -0.04 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3bwk s ALA 160 CO 0.05 -2.38 0.49 0.00 0.00 0.00 0.00 175.76 173.92 3bwk s ALA 161 N 1.00 3.48 0.43 0.00 0.00 -1.26 -1.78 121.76 123.62 3bwk s ALA 161 Ca 0.18 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.05 3bwk s ALA 161 Cb -0.13 -2.65 0.07 0.00 0.00 0.00 0.00 23.12 20.41 3bwk s ALA 161 CO -0.06 0.04 0.59 -1.13 0.00 0.00 0.00 175.76 175.19 3bwk n SER 162 N 3.50 1.54 -0.16 0.00 3.41 -1.26 -4.38 113.62 116.27 3bwk n SER 162 Ca -0.07 -2.12 -0.09 0.00 -0.26 0.00 0.00 58.87 56.32 3bwk n SER 162 Cb 0.52 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3bwk n SER 162 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3bwk h ASP 163 N 0.07 0.71 -0.97 4.04 2.03 -1.95 -2.09 116.42 118.24 3bwk h ASP 163 Ca -0.20 -0.23 0.22 0.00 -0.73 0.00 0.00 57.03 56.10 3bwk h ASP 163 Cb 0.91 -0.19 -0.12 0.00 -0.83 0.00 0.00 39.33 39.11 3bwk h ASP 163 CO 0.28 0.75 0.55 0.44 -1.03 0.00 0.00 179.24 180.24 3bwk h ASP 164 N 0.63 0.63 -0.27 4.15 3.45 -1.97 -1.38 116.42 121.67 3bwk h ASP 164 Ca 0.15 0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.66 3bwk h ASP 164 Cb 0.32 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3bwk h ASP 164 CO 0.00 0.12 -0.12 0.15 -1.57 0.00 0.00 179.24 177.82 3bwk h PHE 165 N 0.59 0.64 -1.01 4.55 3.57 -1.73 -2.53 116.94 121.01 3bwk h PHE 165 Ca 0.61 -0.16 0.11 0.00 3.53 0.00 0.00 57.97 62.06 3bwk h PHE 165 Cb 1.10 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.61 3bwk h PHE 165 CO -0.03 0.80 0.64 0.00 -2.23 0.00 0.00 178.31 177.48 3bwk h ALA 166 N 0.74 1.49 -0.51 2.41 0.00 -0.67 -2.70 119.26 120.03 3bwk h ALA 166 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bwk h ALA 166 Cb 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bwk h ALA 166 CO 0.04 0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.76 3bwk n PHE 167 N -4.59 0.67 -2.03 0.00 0.99 -0.60 -4.94 117.46 106.96 3bwk n PHE 167 Ca 0.18 -0.34 -0.42 0.00 -0.00 0.00 0.00 57.45 56.87 3bwk n PHE 167 Cb 0.32 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.77 3bwk n PHE 167 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 3bwk s TYR 168 N -1.33 2.34 -0.14 1.38 6.14 -0.96 -4.92 117.35 119.86 3bwk s TYR 168 Ca 0.39 0.38 0.15 0.00 0.64 0.00 0.00 57.07 58.63 3bwk s TYR 168 Cb 0.21 -3.87 0.31 0.00 0.42 0.00 0.00 41.96 39.03 3bwk s TYR 168 CO 0.28 -3.53 1.16 0.54 0.64 0.00 0.00 175.55 174.64 3bwk n ARG 169 N 6.17 1.21 0.00 4.97 5.12 -1.26 -1.13 116.66 131.74 3bwk n ARG 169 Ca 0.16 -2.65 0.00 0.00 -1.93 0.00 0.00 57.85 53.43 3bwk n ARG 169 Cb 0.42 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 3bwk n ARG 169 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bwk n GLY 170 N -1.13 2.04 0.00 -0.13 0.00 -1.24 -4.57 105.19 100.15 3bwk n GLY 170 Ca 0.15 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3bwk n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 171 N 0.39 -0.56 3.66 -0.02 0.00 -1.26 -4.92 105.19 102.48 3bwk n GLY 171 Ca 0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3bwk n GLY 171 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bwk s PHE 172 N -1.35 1.69 -0.08 1.61 2.19 -1.26 -4.92 117.98 115.86 3bwk s PHE 172 Ca 0.00 -0.04 -0.30 0.00 0.33 0.00 0.00 56.93 56.93 3bwk s PHE 172 Cb 0.00 -4.05 -0.03 0.00 -1.31 0.00 0.00 43.02 37.63 3bwk s PHE 172 CO 0.00 -4.49 1.22 -0.47 1.83 0.00 0.00 175.22 173.31 3bwk s TYR 173 N 4.38 3.10 -0.07 10.12 6.14 -1.26 -4.90 117.35 134.86 3bwk s TYR 173 Ca 0.80 1.15 0.19 0.00 0.64 0.00 0.00 57.07 59.85 3bwk s TYR 173 Cb -0.36 -3.45 0.38 0.00 0.42 0.00 0.00 41.96 38.95 3bwk s TYR 173 CO 0.34 -1.44 1.17 -0.40 0.64 0.00 0.00 175.55 175.86 3bwk n ASP 174 N 5.52 1.21 -4.69 4.32 5.68 -1.26 -5.00 116.55 122.33 3bwk n ASP 174 Ca 0.12 -2.66 -0.27 0.00 -0.50 0.00 0.00 54.79 51.47 3bwk n ASP 174 Cb 0.46 -0.37 0.11 0.00 -1.14 0.00 0.00 41.12 40.17 3bwk n ASP 174 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3bwk s GLY 175 N -2.35 1.71 0.88 6.12 0.00 -1.26 -5.07 107.32 107.34 3bwk s GLY 175 Ca 0.32 -1.06 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 3bwk s GLY 175 CO -0.11 -0.53 1.09 -0.54 0.00 0.00 0.00 173.10 173.01 3bwk s GLU 176 N -5.44 1.40 0.24 2.90 2.02 -1.26 -5.02 118.70 113.54 3bwk s GLU 176 Ca 0.65 0.89 0.07 0.00 0.02 0.00 0.00 54.97 56.60 3bwk s GLU 176 Cb -0.08 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 3bwk s GLU 176 CO 0.47 -2.16 0.17 0.00 0.02 0.00 0.00 175.26 173.77 3bwk s GLY 178 N -3.71 1.60 0.01 0.00 0.00 -0.74 -4.73 107.32 99.76 3bwk s GLY 178 Ca 0.32 -0.26 -0.25 0.00 0.00 0.00 0.00 44.72 44.54 3bwk s GLY 178 CO 0.24 0.24 1.18 0.00 0.00 0.00 0.00 173.10 174.77 3bwk h ALA 179 N -1.43 -0.57 -3.05 3.20 0.00 -1.90 -3.47 119.26 112.05 3bwk h ALA 179 Ca -0.50 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.79 3bwk h ALA 179 Cb 1.30 0.22 -0.19 0.00 0.00 0.00 0.00 17.79 19.11 3bwk h ALA 179 CO 0.58 -0.65 -0.77 0.00 0.00 0.00 0.00 179.25 178.41 3bwk s ALA 180 N -4.84 1.49 0.11 0.00 0.00 -1.26 -5.04 121.76 112.23 3bwk s ALA 180 Ca -0.14 -1.25 -0.35 0.00 0.00 0.00 0.00 51.96 50.23 3bwk s ALA 180 Cb 0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 23.12 22.90 3bwk s ALA 180 CO 0.50 0.14 1.57 -2.30 0.00 0.00 0.00 175.76 175.67 3bwk n PRO 181 N 0.69 1.93 0.00 0.00 -0.02 -1.26 -4.43 135.00 131.91 3bwk n PRO 181 Ca -0.17 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3bwk n PRO 181 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3bwk n PRO 181 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bwk n ASN 182 N 3.63 0.09 -3.63 2.55 0.23 -0.52 -4.90 115.26 112.71 3bwk n ASN 182 Ca 0.18 -1.05 -0.10 0.00 -0.53 0.00 0.00 54.58 53.08 3bwk n ASN 182 Cb 0.27 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.93 3bwk n ASN 182 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3bwk s HIS 183 N -0.05 -0.26 -0.03 -2.53 5.04 -0.95 -4.94 115.29 111.58 3bwk s HIS 183 Ca 0.00 -0.05 0.01 0.00 -1.54 0.00 0.00 55.06 53.48 3bwk s HIS 183 Cb 0.00 0.41 0.02 0.00 0.04 0.00 0.00 32.58 33.05 3bwk s HIS 183 CO 0.00 -0.85 -0.02 0.00 -2.34 0.00 0.00 174.74 171.53 3bwk s ALA 184 N -3.82 0.40 0.04 1.58 0.00 -1.26 -1.17 121.76 117.53 3bwk s ALA 184 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.09 3bwk s ALA 184 Cb -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 3bwk s ALA 184 CO -0.08 -0.03 0.03 1.33 0.00 0.00 0.00 175.76 177.01 3bwk n VAL 185 N 3.92 0.00 -4.68 0.00 0.24 0.13 -4.53 118.33 113.41 3bwk n VAL 185 Ca -0.24 -0.27 -0.26 0.00 -2.04 0.00 0.00 64.34 61.53 3bwk n VAL 185 Cb 0.52 0.13 -0.17 0.00 -1.47 0.00 0.00 33.84 32.85 3bwk n VAL 185 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3bwk s ILE 186 N -2.09 1.28 -0.28 1.34 1.01 -0.88 -1.26 121.20 120.32 3bwk s ILE 186 Ca 0.04 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 3bwk s ILE 186 Cb 0.00 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3bwk s ILE 186 CO 0.03 0.39 1.00 -0.76 0.00 0.00 0.00 174.94 175.60 3bwk s LEU 187 N 0.63 4.03 0.00 2.97 1.02 0.59 -0.23 118.68 127.69 3bwk s LEU 187 Ca -0.15 1.13 0.08 0.00 0.02 0.00 0.00 54.13 55.21 3bwk s LEU 187 Cb -0.16 -3.45 0.05 0.00 0.02 0.00 0.00 46.19 42.64 3bwk s LEU 187 CO 0.04 -0.73 0.70 1.33 0.02 0.00 0.00 176.35 177.71 3bwk n VAL 188 N 5.56 0.00 -2.18 -1.59 0.24 -0.50 -1.31 118.33 118.55 3bwk n VAL 188 Ca 0.10 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3bwk n VAL 188 Cb 0.47 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 3bwk n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bwk n GLY 189 N 0.55 -1.58 3.22 7.63 0.00 -1.23 -1.72 105.19 112.06 3bwk n GLY 189 Ca 0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 3bwk n GLY 189 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bwk s TYR 190 N -2.62 0.17 0.25 1.61 -0.85 0.97 -1.36 117.35 115.52 3bwk s TYR 190 Ca 0.00 -0.59 -0.05 0.00 -0.52 0.00 0.00 57.07 55.90 3bwk s TYR 190 Cb 0.00 -0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.31 3bwk s TYR 190 CO 0.00 -0.56 0.43 0.41 -1.52 0.00 0.00 175.55 174.31 3bwk n GLY 191 N -0.08 1.89 3.10 5.49 0.00 -0.15 -0.55 105.19 114.89 3bwk n GLY 191 Ca -0.14 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3bwk n GLY 191 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bwk s MET 192 N -2.31 0.25 0.14 1.61 1.75 -1.22 -1.67 119.30 117.85 3bwk s MET 192 Ca 0.15 0.46 0.05 0.00 -1.25 0.00 0.00 55.69 55.10 3bwk s MET 192 Cb -0.02 -0.00 -0.04 0.00 2.84 0.00 0.00 34.83 37.61 3bwk s MET 192 CO 0.11 -0.11 -0.12 -1.59 -0.65 0.00 0.00 175.02 172.67 3bwk s LYS 193 N 0.76 1.07 -0.17 4.11 -2.85 0.07 -4.95 119.74 117.78 3bwk s LYS 193 Ca -0.05 -1.38 -0.21 0.00 -1.00 0.00 0.00 55.97 53.33 3bwk s LYS 193 Cb -0.06 -0.77 -0.03 0.00 -2.06 0.00 0.00 37.83 34.91 3bwk s LYS 193 CO -0.05 0.12 0.62 -0.51 0.10 0.00 0.00 175.35 175.63 3bwk s ASP 194 N -2.92 6.72 -0.04 0.03 1.11 -1.26 0.13 116.67 120.44 3bwk s ASP 194 Ca 0.14 0.88 0.03 0.00 0.18 0.00 0.00 52.55 53.78 3bwk s ASP 194 Cb -0.01 -2.35 0.00 0.00 1.07 0.00 0.00 42.92 41.64 3bwk s ASP 194 CO 0.02 -0.22 -0.13 -0.63 1.18 0.00 0.00 175.17 175.40 3bwk s ILE 195 N 1.61 1.08 0.10 0.77 1.01 -0.51 -4.92 121.20 120.34 3bwk s ILE 195 Ca 0.30 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 3bwk s ILE 195 Cb -0.16 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.29 3bwk s ILE 195 CO 0.11 0.33 1.29 -0.47 0.00 0.00 0.00 174.94 176.20 3bwk s TYR 196 N 0.22 3.34 -0.26 3.97 5.04 -1.26 -0.44 117.35 127.96 3bwk s TYR 196 Ca -0.05 1.16 -0.17 0.00 -2.44 0.00 0.00 57.07 55.57 3bwk s TYR 196 Cb -0.11 -3.55 -0.03 0.00 0.35 0.00 0.00 41.96 38.62 3bwk s TYR 196 CO 0.02 -1.79 0.45 1.21 -1.34 0.00 0.00 175.55 174.10 3bwk s ASN 197 N 0.95 6.36 0.43 4.32 3.84 -0.45 -4.92 114.94 125.47 3bwk s ASN 197 Ca 0.61 0.43 0.31 0.00 0.21 0.00 0.00 52.86 54.41 3bwk s ASN 197 Cb -0.33 -2.25 1.49 0.00 -0.55 0.00 0.00 41.25 39.60 3bwk s ASN 197 CO 0.31 -0.23 1.58 -0.08 -2.79 0.00 0.00 177.10 175.89 3bwk h GLU 198 N 8.03 0.00 0.00 0.43 4.81 -1.95 -1.29 114.58 124.61 3bwk h GLU 198 Ca -0.30 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3bwk h GLU 198 Cb 1.15 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3bwk h GLU 198 CO 0.69 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.50 3bwk n ASP 199 N -4.81 0.00 -0.03 1.04 -0.08 -1.26 -4.63 116.55 106.79 3bwk n ASP 199 Ca 0.40 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.82 3bwk n ASP 199 Cb 1.54 0.00 0.54 0.00 2.34 0.00 0.00 41.12 45.54 3bwk n ASP 199 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3bwk n THR 200 N 0.00 0.00 -1.63 5.18 -2.24 -1.03 -4.96 114.28 109.60 3bwk n THR 200 Ca 0.00 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 3bwk n THR 200 Cb 0.00 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 3bwk n THR 200 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bwk n GLY 201 N 1.43 1.16 3.21 3.38 0.00 -0.52 -4.99 105.19 108.86 3bwk n GLY 201 Ca 0.09 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3bwk n GLY 201 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bwk s ARG 202 N -3.63 0.97 0.36 1.61 0.52 -1.25 -4.98 118.95 112.56 3bwk s ARG 202 Ca 0.00 -0.99 -0.27 0.00 -0.52 0.00 0.00 55.73 53.95 3bwk s ARG 202 Cb 0.00 -1.07 -0.09 0.00 0.52 0.00 0.00 34.95 34.31 3bwk s ARG 202 CO 0.00 0.25 1.20 -1.64 0.02 0.00 0.00 175.30 175.12 3bwk s MET 203 N -1.66 4.22 -0.01 3.54 -1.94 -1.26 -1.34 119.30 120.85 3bwk s MET 203 Ca 0.02 1.94 0.04 0.00 -1.71 0.00 0.00 55.69 55.97 3bwk s MET 203 Cb -0.10 -2.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.87 3bwk s MET 203 CO 0.03 -0.20 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.49 3bwk s GLU 204 N -2.03 1.07 0.17 2.03 2.02 0.42 -4.90 118.70 117.48 3bwk s GLU 204 Ca 0.53 -0.47 -0.31 0.00 0.02 0.00 0.00 54.97 54.74 3bwk s GLU 204 Cb -0.33 -1.03 -0.09 0.00 0.10 0.00 0.00 34.13 32.77 3bwk s GLU 204 CO 0.43 0.28 1.49 0.15 0.02 0.00 0.00 175.26 177.63 3bwk s LYS 205 N -0.29 4.26 -0.27 1.61 1.02 -1.26 -1.43 119.74 123.37 3bwk s LYS 205 Ca 0.05 2.27 0.03 0.00 0.02 0.00 0.00 55.97 58.33 3bwk s LYS 205 Cb -0.05 -3.17 0.06 0.00 -0.52 0.00 0.00 37.83 34.15 3bwk s LYS 205 CO -0.00 -0.52 -0.08 0.12 -0.92 0.00 0.00 175.35 173.94 3bwk s PHE 206 N 0.92 3.32 0.05 3.18 5.36 0.12 -4.94 117.98 125.98 3bwk s PHE 206 Ca 0.66 -2.34 -0.09 0.00 -0.96 0.00 0.00 56.93 54.20 3bwk s PHE 206 Cb -0.41 -2.05 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 3bwk s PHE 206 CO 0.33 -0.88 0.35 0.71 -1.46 0.00 0.00 175.22 174.28 3bwk s TYR 207 N 1.10 3.59 0.00 10.12 2.02 -1.26 -0.75 117.35 132.16 3bwk s TYR 207 Ca -0.07 0.72 -0.21 0.00 -0.37 0.00 0.00 57.07 57.14 3bwk s TYR 207 Cb -0.20 -2.10 0.04 0.00 -0.40 0.00 0.00 41.96 39.30 3bwk s TYR 207 CO -0.05 0.55 0.46 1.52 -1.57 0.00 0.00 175.55 176.47 3bwk s TYR 208 N -1.36 -0.36 0.27 2.71 -0.85 -0.67 -0.46 117.35 116.63 3bwk s TYR 208 Ca 0.31 0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 57.33 3bwk s TYR 208 Cb -0.14 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.40 3bwk s TYR 208 CO 0.17 -0.54 0.51 0.71 -1.52 0.00 0.00 175.55 174.89 3bwk s TYR 209 N -1.79 3.48 -0.24 -3.49 1.51 -0.04 -0.98 117.35 115.81 3bwk s TYR 209 Ca -0.09 0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 56.48 3bwk s TYR 209 Cb -0.02 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3bwk s TYR 209 CO 0.03 0.22 -0.05 0.42 -1.11 0.00 0.00 175.55 175.06 3bwk s ILE 210 N -2.05 3.15 -0.19 2.71 1.01 -0.46 -1.08 121.20 124.30 3bwk s ILE 210 Ca 0.42 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 3bwk s ILE 210 Cb -0.11 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 3bwk s ILE 210 CO 0.30 0.31 -0.02 -0.63 0.00 0.00 0.00 174.94 174.91 3bwk s ILE 211 N 1.41 3.89 -0.27 2.92 1.09 -0.17 -1.41 121.20 128.67 3bwk s ILE 211 Ca 0.03 -0.34 -0.21 0.00 -1.10 0.00 0.00 60.65 59.03 3bwk s ILE 211 Cb -0.15 -2.74 -0.01 0.00 -1.06 0.00 0.00 42.46 38.49 3bwk s ILE 211 CO -0.04 0.45 0.68 -0.75 -0.10 0.00 0.00 174.94 175.18 3bwk s LYS 212 N 0.81 4.05 0.50 2.79 2.20 0.68 -1.28 119.74 129.49 3bwk s LYS 212 Ca -0.00 0.55 0.07 0.00 -0.36 0.00 0.00 55.97 56.23 3bwk s LYS 212 Cb -0.14 -3.68 0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3bwk s LYS 212 CO 0.02 -0.50 0.68 1.21 -0.36 0.00 0.00 175.35 176.41 3bwk s ASN 213 N 1.51 5.38 -0.26 1.43 3.84 -0.38 -2.08 114.94 124.37 3bwk s ASN 213 Ca 0.28 -0.51 0.13 0.00 0.21 0.00 0.00 52.86 52.97 3bwk s ASN 213 Cb -0.15 -0.35 0.47 0.00 -0.55 0.00 0.00 41.25 40.67 3bwk s ASN 213 CO 0.10 -1.04 1.17 -1.54 -2.79 0.00 0.00 177.10 172.99 3bwk n SER 214 N -2.08 3.55 -1.06 -4.21 3.41 -1.26 -4.57 113.62 107.40 3bwk n SER 214 Ca 0.11 -3.18 0.01 0.00 -0.26 0.00 0.00 58.87 55.54 3bwk n SER 214 Cb 0.60 -0.39 0.22 0.00 -0.26 0.00 0.00 64.21 64.38 3bwk n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3bwk n TRP 215 N -0.66 1.09 0.00 7.33 8.01 -1.20 -1.18 117.44 130.83 3bwk n TRP 215 Ca 0.30 -1.27 0.00 0.00 -1.31 0.00 0.00 57.50 55.21 3bwk n TRP 215 Cb 0.91 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 29.78 3bwk n TRP 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bwk n GLY 216 N -0.86 -0.83 0.27 6.99 0.00 -0.20 -4.38 105.19 106.18 3bwk n GLY 216 Ca 0.29 -1.66 0.17 0.00 0.00 0.00 0.00 46.02 44.81 3bwk n GLY 216 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bwk h SER 217 N 0.00 0.00 -0.42 1.61 0.02 -1.83 -2.95 113.55 109.98 3bwk h SER 217 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3bwk h SER 217 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 3bwk h SER 217 CO 0.00 0.00 0.14 -0.90 -1.14 0.00 0.00 176.83 174.93 3bwk n ASP 218 N -3.09 3.60 -4.43 3.07 5.75 -1.26 -3.40 116.55 116.79 3bwk n ASP 218 Ca 0.01 -2.67 -0.32 0.00 -0.01 0.00 0.00 54.79 51.80 3bwk n ASP 218 Cb 0.34 -0.64 -0.14 0.00 -1.03 0.00 0.00 41.12 39.65 3bwk n ASP 218 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3bwk s TRP 219 N -1.95 2.60 0.00 2.11 -0.00 -1.11 -5.00 118.94 115.58 3bwk s TRP 219 Ca 0.32 -0.23 0.00 0.00 -0.00 0.00 0.00 56.10 56.18 3bwk s TRP 219 Cb 0.25 -1.59 0.00 0.00 -0.00 0.00 0.00 33.47 32.13 3bwk s TRP 219 CO 0.08 0.13 0.00 0.41 -0.00 0.00 0.00 176.95 177.57 3bwk n GLY 220 N 2.30 2.46 3.23 5.86 0.00 -0.29 -0.58 105.19 118.17 3bwk n GLY 220 Ca -0.17 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3bwk n GLY 220 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bwk s GLU 221 N 0.00 3.20 -1.67 1.61 2.02 0.34 -3.65 118.70 120.54 3bwk s GLU 221 Ca 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 54.97 52.43 3bwk s GLU 221 Cb 0.00 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 30.10 3bwk s GLU 221 CO 0.00 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.45 3bwk n GLY 222 N 3.65 0.02 0.18 -1.39 0.00 -1.25 -2.35 105.19 104.05 3bwk n GLY 222 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3bwk n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 223 N -0.82 0.47 3.64 -0.02 0.00 0.26 -4.65 105.19 104.06 3bwk n GLY 223 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3bwk n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bwk s TYR 224 N -2.11 2.71 -0.00 1.61 1.51 -0.99 -1.25 117.35 118.83 3bwk s TYR 224 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3bwk s TYR 224 Cb 0.00 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 3bwk s TYR 224 CO 0.00 0.58 -0.01 -1.50 -1.11 0.00 0.00 175.55 173.51 3bwk s ILE 225 N -2.11 0.10 -0.21 2.71 2.07 -0.40 -0.51 121.20 122.85 3bwk s ILE 225 Ca 0.30 -0.04 -0.15 0.00 -1.41 0.00 0.00 60.65 59.35 3bwk s ILE 225 Cb -0.07 -0.10 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 3bwk s ILE 225 CO 0.19 0.04 0.35 0.20 -1.91 0.00 0.00 174.94 173.81 3bwk s ASN 226 N 0.08 6.37 -0.07 4.50 0.02 -1.26 -1.00 114.94 123.58 3bwk s ASN 226 Ca -0.01 0.43 0.06 0.00 -1.02 0.00 0.00 52.86 52.32 3bwk s ASN 226 Cb -0.02 -2.21 -0.01 0.00 0.02 0.00 0.00 41.25 39.04 3bwk s ASN 226 CO -0.00 -0.05 -0.25 -0.76 0.02 0.00 0.00 177.10 176.06 3bwk s LEU 227 N 1.28 2.08 0.34 0.60 1.43 -0.24 -4.61 118.68 119.56 3bwk s LEU 227 Ca 0.17 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 3bwk s LEU 227 Cb -0.15 -1.38 -0.12 0.00 0.03 0.00 0.00 46.19 44.57 3bwk s LEU 227 CO 0.07 0.23 1.41 1.21 0.23 0.00 0.00 176.35 179.50 3bwk n GLU 228 N 3.07 2.38 -0.06 1.70 2.13 -1.26 -0.86 120.64 127.74 3bwk n GLU 228 Ca -0.18 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3bwk n GLU 228 Cb 0.52 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.72 3bwk n GLU 228 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3bwk n THR 229 N 0.79 0.00 -4.67 6.31 5.66 0.39 -3.67 114.28 119.10 3bwk n THR 229 Ca 0.05 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.74 3bwk n THR 229 Cb 0.37 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.07 3bwk n THR 229 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3bwk s ASP 230 N 0.94 3.59 0.19 1.09 3.84 -1.26 -4.34 116.67 120.73 3bwk s ASP 230 Ca 0.00 -1.72 -0.11 0.00 -0.00 0.00 0.00 52.55 50.72 3bwk s ASP 230 Cb 0.00 0.64 0.12 0.00 -1.38 0.00 0.00 42.92 42.30 3bwk s ASP 230 CO 0.00 -0.95 1.84 -0.08 -0.00 0.00 0.00 175.17 175.97 3bwk h GLU 231 N 1.48 0.91 -0.50 2.11 4.81 -1.95 -0.37 114.58 121.07 3bwk h GLU 231 Ca -0.39 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 3bwk h GLU 231 Cb 1.30 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 3bwk h GLU 231 CO 0.64 0.64 0.33 -0.91 -0.73 0.00 0.00 179.01 178.98 3bwk h ASN 232 N 0.91 0.51 0.00 1.04 2.35 -1.97 -3.46 115.58 114.96 3bwk h ASN 232 Ca 0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3bwk h ASN 232 Cb -0.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.21 3bwk h ASN 232 CO -0.05 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 3bwk n GLY 233 N -1.47 0.52 0.15 2.83 0.00 -0.15 -4.79 105.19 102.27 3bwk n GLY 233 Ca 0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 3bwk n GLY 233 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bwk h TYR 234 N 0.00 0.86 -2.83 1.61 0.99 -1.82 -3.44 116.97 112.33 3bwk h TYR 234 Ca 0.00 -0.59 -0.52 0.00 2.00 0.00 0.00 58.73 59.62 3bwk h TYR 234 Cb 0.00 -0.05 0.05 0.00 1.00 0.00 0.00 36.73 37.73 3bwk h TYR 234 CO 0.00 1.44 0.91 0.21 -0.00 0.00 0.00 178.16 180.72 3bwk s LYS 235 N -2.77 4.19 -0.17 4.88 2.20 -1.26 -4.93 119.74 121.88 3bwk s LYS 235 Ca -0.08 2.43 -0.05 0.00 -0.36 0.00 0.00 55.97 57.91 3bwk s LYS 235 Cb 0.06 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 3bwk s LYS 235 CO 0.92 -0.64 0.01 0.15 -0.36 0.00 0.00 175.35 175.44 3bwk s LYS 236 N 1.01 3.82 -0.12 4.03 1.02 -1.26 -4.45 119.74 123.78 3bwk s LYS 236 Ca 0.70 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 56.22 3bwk s LYS 236 Cb -0.45 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3bwk s LYS 236 CO 0.33 0.26 0.02 0.99 -0.92 0.00 0.00 175.35 176.03 3bwk s THR 237 N 0.37 4.48 -1.46 2.17 2.01 -1.24 -4.52 115.64 117.44 3bwk s THR 237 Ca -0.01 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 3bwk s THR 237 Cb -0.13 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.47 3bwk s THR 237 CO 0.02 0.56 0.61 0.00 -0.69 0.00 0.00 174.62 175.12 3bwk n SER 239 N -2.49 -3.27 -4.69 0.00 7.64 -1.26 -1.04 113.62 108.51 3bwk n SER 239 Ca -0.07 0.24 -0.44 0.00 1.01 0.00 0.00 58.87 59.61 3bwk n SER 239 Cb 0.59 -2.81 -0.02 0.00 -1.01 0.00 0.00 64.21 60.95 3bwk n SER 239 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3bwk n ILE 240 N -3.22 1.05 -1.10 0.44 -5.35 -1.05 -2.38 119.36 107.76 3bwk n ILE 240 Ca -0.11 -0.26 -0.03 0.00 -0.27 0.00 0.00 62.75 62.07 3bwk n ILE 240 Cb 0.58 -1.56 -0.01 0.00 -1.74 0.00 0.00 39.64 36.91 3bwk n ILE 240 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bwk n GLY 241 N 2.04 0.62 0.29 3.28 0.00 -0.29 -4.89 105.19 106.23 3bwk n GLY 241 Ca 0.10 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.81 3bwk n GLY 241 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bwk h THR 242 N 0.00 0.29 -3.30 2.61 2.02 -1.66 -3.28 112.91 109.59 3bwk h THR 242 Ca -0.07 -0.03 -0.64 0.00 0.77 0.00 0.00 66.41 66.44 3bwk h THR 242 Cb 0.38 0.20 -0.18 0.00 -1.74 0.00 0.00 68.15 66.81 3bwk h THR 242 CO 0.10 0.02 -0.63 -1.61 0.37 0.00 0.00 175.52 173.77 3bwk s GLU 243 N -6.12 3.61 -0.16 6.66 2.02 -1.26 -5.03 118.70 118.43 3bwk s GLU 243 Ca -0.13 -0.44 -0.07 0.00 0.02 0.00 0.00 54.97 54.34 3bwk s GLU 243 Cb 0.23 -2.98 0.07 0.00 0.10 0.00 0.00 34.13 31.55 3bwk s GLU 243 CO 0.76 0.36 0.36 0.00 0.02 0.00 0.00 175.26 176.75 3bwk s ALA 244 N 0.08 -0.91 -0.05 5.21 0.00 -1.24 -1.72 121.76 123.13 3bwk s ALA 244 Ca 0.02 1.34 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 3bwk s ALA 244 Cb -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.02 3bwk s ALA 244 CO 0.02 -0.43 0.19 0.71 0.00 0.00 0.00 175.76 176.24 3bwk s TYR 245 N 1.84 -0.16 -0.11 0.00 1.51 0.14 -0.84 117.35 119.73 3bwk s TYR 245 Ca -0.06 0.36 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 3bwk s TYR 245 Cb -0.10 0.05 -0.00 0.00 -0.11 0.00 0.00 41.96 41.79 3bwk s TYR 245 CO -0.11 -0.16 -0.21 0.08 -1.11 0.00 0.00 175.55 174.03 3bwk s VAL 246 N -0.32 2.31 0.45 0.71 1.01 -0.37 -0.82 120.40 123.36 3bwk s VAL 246 Ca -0.04 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 3bwk s VAL 246 Cb -0.03 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 3bwk s VAL 246 CO 0.01 0.55 0.94 -2.16 0.00 0.00 0.00 175.10 174.44 3bwk s PRO 247 N 0.36 4.14 -0.04 2.72 0.04 -1.26 -0.85 135.00 140.11 3bwk s PRO 247 Ca -0.17 1.04 0.04 0.00 0.04 0.00 0.00 61.00 61.96 3bwk s PRO 247 Cb -0.17 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 3bwk s PRO 247 CO 0.08 -0.08 -0.16 -0.51 0.04 0.00 0.00 177.00 176.37 3bwk s LEU 248 N -3.42 1.91 0.00 -3.56 1.43 0.13 -4.93 118.68 110.25 3bwk s LEU 248 Ca 0.61 -0.32 0.27 0.00 -1.03 0.00 0.00 54.13 53.65 3bwk s LEU 248 Cb -0.09 -0.89 0.82 0.00 0.03 0.00 0.00 46.19 46.05 3bwk s LEU 248 CO 0.18 0.15 1.61 0.18 0.23 0.00 0.00 176.35 178.71