#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 4.13 0.43 -0.72 2.12 -1.26 -1.92 118.70 121.48 3bwk s GLU 9 Ca 0.00 0.39 0.08 0.00 0.36 0.00 0.00 54.97 55.80 3bwk s GLU 9 Cb 0.00 -3.33 -0.00 0.00 0.26 0.00 0.00 34.13 31.06 3bwk s GLU 9 CO 0.00 0.43 0.44 0.00 -0.54 0.00 0.00 175.26 175.59 3bwk s ALA 10 N -0.23 4.22 -0.13 6.30 0.00 -0.07 -4.93 121.76 126.93 3bwk s ALA 10 Ca 0.24 -1.82 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 3bwk s ALA 10 Cb -0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3bwk s ALA 10 CO 0.11 -0.29 0.18 -0.80 0.00 0.00 0.00 175.76 174.97 3bwk s ASN 11 N -4.22 6.40 0.21 0.00 0.02 -1.26 -4.25 114.94 111.85 3bwk s ASN 11 Ca 0.50 0.47 -0.09 0.00 -1.02 0.00 0.00 52.86 52.72 3bwk s ASN 11 Cb -0.05 -2.11 0.28 0.00 0.02 0.00 0.00 41.25 39.40 3bwk s ASN 11 CO 0.29 0.31 1.76 0.22 0.02 0.00 0.00 177.10 179.71 3bwk h TYR 12 N 5.53 0.50 -0.93 2.20 3.20 -1.95 -2.14 116.97 123.39 3bwk h TYR 12 Ca -0.50 0.03 0.25 0.00 3.14 0.00 0.00 58.73 61.65 3bwk h TYR 12 Cb 1.20 -0.13 -0.14 0.00 1.54 0.00 0.00 36.73 39.21 3bwk h TYR 12 CO 0.69 0.17 0.40 1.49 -1.64 0.00 0.00 178.16 179.28 3bwk h GLU 13 N 0.50 0.33 0.17 1.82 4.81 -1.94 0.41 114.58 120.69 3bwk h GLU 13 Ca 0.31 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 59.19 3bwk h GLU 13 Cb 0.34 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.65 3bwk h GLU 13 CO -0.27 0.22 -1.59 -0.44 -0.73 0.00 0.00 179.01 176.20 3bwk h ASP 14 N 0.34 0.58 -0.30 1.04 3.32 -1.89 -3.34 116.42 116.16 3bwk h ASP 14 Ca 0.61 -0.76 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 3bwk h ASP 14 Cb 1.24 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3bwk h ASP 14 CO -0.58 1.63 -0.11 0.58 -1.72 0.00 0.00 179.24 179.03 3bwk h VAL 15 N 0.10 1.29 0.00 -1.35 2.07 -0.66 -3.11 116.25 114.59 3bwk h VAL 15 Ca -0.28 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 3bwk h VAL 15 Cb 2.08 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 3bwk h VAL 15 CO 0.19 0.38 -0.26 -0.29 0.02 0.00 0.00 177.57 177.62 3bwk h ILE 16 N 0.38 1.15 -0.79 4.57 6.09 -1.14 -1.78 117.51 125.98 3bwk h ILE 16 Ca 0.07 -0.91 0.04 0.00 -1.37 0.00 0.00 64.86 62.69 3bwk h ILE 16 Cb 0.62 1.49 -0.05 0.00 0.47 0.00 0.00 36.82 39.36 3bwk h ILE 16 CO 0.04 0.26 0.52 0.11 -3.07 0.00 0.00 178.15 176.01 3bwk h LYS 17 N 0.00 0.95 0.03 2.19 1.57 -1.66 -1.59 116.57 118.05 3bwk h LYS 17 Ca -0.00 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 3bwk h LYS 17 Cb 0.47 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3bwk h LYS 17 CO 0.03 0.63 -0.98 0.87 -0.57 0.00 0.00 179.45 179.43 3bwk h LYS 18 N 0.97 0.13 0.01 3.15 1.57 -1.35 -3.39 116.57 117.66 3bwk h LYS 18 Ca 0.32 -0.17 -0.37 0.00 -1.87 0.00 0.00 60.65 58.56 3bwk h LYS 18 Cb 0.05 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 3bwk h LYS 18 CO -0.09 1.00 -2.31 0.66 -0.57 0.00 0.00 179.45 178.14 3bwk n TYR 19 N -3.53 0.21 -2.68 -1.35 4.02 -0.97 -4.85 117.16 108.01 3bwk n TYR 19 Ca -0.03 0.06 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 3bwk n TYR 19 Cb 0.89 -1.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.15 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 -2.52 4.37 0.44 -0.72 2.20 -0.61 -4.95 119.74 117.96 3bwk s LYS 20 Ca -0.18 1.38 -0.25 0.00 -0.36 0.00 0.00 55.97 56.56 3bwk s LYS 20 Cb 0.07 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 3bwk s LYS 20 CO 0.75 -0.41 1.30 -2.30 -0.36 0.00 0.00 175.35 174.33 3bwk n PRO 21 N 5.40 1.93 -0.32 4.03 -0.02 -1.26 -4.84 135.00 139.92 3bwk n PRO 21 Ca 0.10 0.69 0.01 0.00 -2.02 0.00 0.00 63.50 62.28 3bwk n PRO 21 Cb 0.48 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.60 3bwk n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwk h ALA 22 N 2.01 0.38 -0.56 3.55 0.00 -1.95 -1.71 119.26 120.99 3bwk h ALA 22 Ca -0.49 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3bwk h ALA 22 Cb 1.29 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3bwk h ALA 22 CO 0.59 -0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 3bwk n ASP 23 N -5.53 4.54 -4.76 0.00 10.43 -1.26 -4.99 116.55 114.99 3bwk n ASP 23 Ca 0.11 -2.52 -0.40 0.00 2.57 0.00 0.00 54.79 54.55 3bwk n ASP 23 Cb 0.43 -0.58 -0.05 0.00 1.84 0.00 0.00 41.12 42.75 3bwk n ASP 23 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3bwk s ALA 24 N -2.03 3.37 -0.18 2.24 0.00 -0.64 -5.04 121.76 119.47 3bwk s ALA 24 Ca 0.46 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.18 3bwk s ALA 24 Cb 0.31 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 3bwk s ALA 24 CO 0.20 -0.00 -0.11 0.15 0.00 0.00 0.00 175.76 175.99 3bwk s LYS 25 N -1.36 3.28 -0.04 0.00 1.02 -1.26 -4.99 119.74 116.39 3bwk s LYS 25 Ca 0.43 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 3bwk s LYS 25 Cb -0.29 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 3bwk s LYS 25 CO 0.37 -0.06 1.34 -1.17 -0.92 0.00 0.00 175.35 174.91 3bwk s LEU 26 N 1.04 4.29 -0.46 3.17 2.96 -1.26 -4.99 118.68 123.43 3bwk s LEU 26 Ca -0.01 1.97 -0.29 0.00 -0.22 0.00 0.00 54.13 55.59 3bwk s LEU 26 Cb -0.15 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.02 3bwk s LEU 26 CO -0.02 -0.70 1.11 -0.62 -1.32 0.00 0.00 176.35 174.80 3bwk s ASP 27 N 1.86 6.64 0.00 3.68 -1.08 -1.26 -4.92 116.67 121.59 3bwk s ASP 27 Ca 0.61 0.47 0.28 0.00 -0.52 0.00 0.00 52.55 53.39 3bwk s ASP 27 Cb -0.28 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.66 3bwk s ASP 27 CO 0.24 -1.20 1.73 0.54 0.52 0.00 0.00 175.17 177.00 3bwk n ARG 28 N 7.68 0.95 -0.07 4.34 1.74 -1.26 -4.29 116.66 125.74 3bwk n ARG 28 Ca 0.11 -0.47 -0.10 0.00 -0.77 0.00 0.00 57.85 56.62 3bwk n ARG 28 Cb 0.49 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.15 1.00 -2.50 0.55 2.04 -1.91 -3.47 117.51 114.36 3bwk h ILE 29 Ca 0.00 -1.81 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 3bwk h ILE 29 Cb 0.43 1.95 -0.25 0.00 -0.74 0.00 0.00 36.82 38.22 3bwk h ILE 29 CO 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 178.15 178.29 3bwk s ALA 30 N -2.38 -1.24 -0.27 1.87 0.00 -1.26 -3.53 121.76 114.95 3bwk s ALA 30 Ca -0.14 1.65 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 3bwk s ALA 30 Cb -0.01 -0.99 0.08 0.00 0.00 0.00 0.00 23.12 22.21 3bwk s ALA 30 CO 0.43 -0.28 0.65 -0.47 0.00 0.00 0.00 175.76 176.10 3bwk s TYR 31 N 1.14 -1.04 -0.15 0.00 5.04 -0.20 -4.97 117.35 117.17 3bwk s TYR 31 Ca -0.07 2.06 -0.03 0.00 -2.44 0.00 0.00 57.07 56.59 3bwk s TYR 31 Cb -0.06 0.61 0.05 0.00 0.35 0.00 0.00 41.96 42.90 3bwk s TYR 31 CO -0.10 -0.52 0.03 0.34 -1.34 0.00 0.00 175.55 173.96 3bwk s ASP 32 N 1.71 2.43 0.46 4.32 -1.08 -1.26 -0.02 116.67 123.23 3bwk s ASP 32 Ca -0.10 -0.57 0.32 0.00 -0.52 0.00 0.00 52.55 51.68 3bwk s ASP 32 Cb -0.06 -0.50 1.46 0.00 -1.46 0.00 0.00 42.92 42.37 3bwk s ASP 32 CO -0.19 -0.28 1.95 -0.50 0.52 0.00 0.00 175.17 176.67 3bwk h TRP 33 N 8.30 0.00 0.00 -5.34 4.06 -1.73 -1.68 115.95 119.55 3bwk h TRP 33 Ca -0.17 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 3bwk h TRP 33 Cb 1.13 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3bwk h TRP 33 CO 0.32 0.00 -0.06 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 -1.91 -0.90 114.38 115.12 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3bwk h ARG 34 CO 0.00 0.06 -0.37 1.28 -1.07 0.00 0.00 179.97 179.87 3bwk n LEU 35 N -3.35 1.31 -0.38 3.04 4.77 -0.63 -4.42 117.00 117.34 3bwk n LEU 35 Ca -0.01 -0.41 0.05 0.00 -0.03 0.00 0.00 56.01 55.61 3bwk n LEU 35 Cb 0.22 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3bwk n LEU 35 CO 0.27 0.25 0.39 1.41 -1.33 0.00 0.00 177.39 178.38 3bwk n HIS 36 N -0.54 0.00 -1.06 -1.77 8.25 -0.75 -5.00 115.22 114.35 3bwk n HIS 36 Ca 0.11 -0.60 -0.02 0.00 -0.26 0.00 0.00 57.72 56.94 3bwk n HIS 36 Cb 0.38 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.70 0.55 1.13 -1.41 0.00 -1.05 -4.93 105.19 98.77 3bwk n GLY 37 Ca 0.09 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.57 1.69 2.85 -0.02 0.00 -0.42 -4.39 105.19 102.33 3bwk n GLY 38 Ca -0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.44 0.39 0.39 1.61 1.01 -1.25 -4.45 120.40 116.66 3bwk s VAL 39 Ca 0.40 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.39 3bwk s VAL 39 Cb 0.23 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 3bwk s VAL 39 CO 0.31 0.20 0.57 0.42 0.00 0.00 0.00 175.10 176.60 3bwk s THR 40 N 1.08 4.03 0.68 3.92 -4.23 -1.26 -4.96 115.64 114.91 3bwk s THR 40 Ca -0.09 -0.75 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 3bwk s THR 40 Cb -0.14 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 3bwk s THR 40 CO -0.01 -0.24 0.74 -2.65 -0.54 0.00 0.00 174.62 171.91 3bwk n PRO 41 N -1.86 0.50 -2.39 3.99 -0.02 -1.26 -4.93 135.00 129.03 3bwk n PRO 41 Ca 0.01 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 3bwk n PRO 41 Cb 0.58 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 3bwk n PRO 41 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3bwk s VAL 42 N -1.78 3.32 0.47 -1.45 -7.23 -1.26 -5.05 120.40 107.42 3bwk s VAL 42 Ca 0.70 1.24 0.07 0.00 -1.81 0.00 0.00 61.98 62.18 3bwk s VAL 42 Cb -0.37 -3.75 -0.00 0.00 0.56 0.00 0.00 36.38 32.82 3bwk s VAL 42 CO 0.53 0.22 0.36 -0.54 -0.31 0.00 0.00 175.10 175.36 3bwk s LYS 43 N -1.84 2.36 -0.12 4.82 1.02 -1.26 -4.75 119.74 119.97 3bwk s LYS 43 Ca 0.50 -1.78 -0.01 0.00 0.02 0.00 0.00 55.97 54.70 3bwk s LYS 43 Cb -0.31 -2.20 0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3bwk s LYS 43 CO 0.40 -0.36 -0.06 0.34 -0.92 0.00 0.00 175.35 174.76 3bwk s ASP 44 N -4.16 2.30 0.00 2.83 -1.08 -1.26 -1.10 116.67 114.20 3bwk s ASP 44 Ca 0.42 -0.38 0.25 0.00 -0.52 0.00 0.00 52.55 52.32 3bwk s ASP 44 Cb -0.01 -0.82 1.20 0.00 -1.46 0.00 0.00 42.92 41.83 3bwk s ASP 44 CO 0.25 -0.15 1.82 0.00 0.52 0.00 0.00 175.17 177.61 3bwk n GLN 45 N 4.95 0.26 0.00 4.34 10.64 0.05 -4.90 117.38 132.73 3bwk n GLN 45 Ca -0.12 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 3bwk n GLN 45 Cb 0.49 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 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 -1.34 0.00 -3.08 2.61 0.00 -1.26 -3.84 120.51 113.60 3bwk n ALA 46 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.10 3bwk n ALA 46 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 5.35 -3.64 0.00 7.94 -1.26 -4.85 117.00 120.54 3bwk n LEU 47 Ca 0.00 -4.66 -0.09 0.00 -1.11 0.00 0.00 56.01 50.14 3bwk n LEU 47 Cb 0.00 -1.57 -0.07 0.00 0.53 0.00 0.00 43.42 42.31 3bwk n LEU 47 CO 0.00 0.95 0.63 0.00 -1.11 0.00 0.00 177.39 177.86 3bwk n GLY 49 N 2.63 4.07 1.56 0.00 0.00 -0.27 -4.54 105.19 108.64 3bwk n GLY 49 Ca -0.14 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.47 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 0.84 4.43 -0.33 1.61 3.41 -1.26 -3.62 113.62 118.69 3bwk n SER 50 Ca 0.39 -2.73 0.18 0.00 -0.26 0.00 0.00 58.87 56.46 3bwk n SER 50 Cb 0.60 -0.65 0.42 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.55 0.29 0.08 0.00 5.08 -1.83 0.16 115.95 120.30 3bwk h TRP 52 Ca 0.60 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 60.31 3bwk h TRP 52 Cb 1.24 -0.10 0.02 0.00 -3.00 0.00 0.00 29.16 27.33 3bwk h TRP 52 CO -0.00 0.21 -1.07 0.00 -1.28 0.00 0.00 178.44 176.30 3bwk h ALA 53 N 1.83 0.02 -0.56 0.11 0.00 -1.42 -2.77 119.26 116.46 3bwk h ALA 53 Ca 0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3bwk h ALA 53 Cb 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3bwk h ALA 53 CO -0.01 0.60 0.14 0.74 0.00 0.00 0.00 179.25 180.71 3bwk h PHE 54 N 0.17 0.94 0.35 0.00 -1.00 -1.08 -0.13 116.94 116.19 3bwk h PHE 54 Ca -0.16 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.50 3bwk h PHE 54 Cb 1.76 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 41.05 3bwk h PHE 54 CO 0.13 0.81 -0.17 1.03 -1.61 0.00 0.00 178.31 178.50 3bwk h SER 55 N 0.80 -0.40 -0.06 2.17 0.87 -1.08 0.65 113.55 116.50 3bwk h SER 55 Ca 0.18 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3bwk h SER 55 Cb 0.34 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3bwk h SER 55 CO 0.00 -0.23 -0.08 0.77 -0.53 0.00 0.00 176.83 176.76 3bwk h SER 56 N -0.54 0.17 -0.55 6.23 4.64 -1.45 -1.88 113.55 120.17 3bwk h SER 56 Ca -0.05 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.73 3bwk h SER 56 Cb 0.41 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3bwk h SER 56 CO 0.08 0.66 0.28 0.58 -0.87 0.00 0.00 176.83 177.56 3bwk h VAL 57 N -0.32 1.19 -0.72 0.95 2.07 -1.07 -2.39 116.25 115.97 3bwk h VAL 57 Ca 0.01 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.07 3bwk h VAL 57 Cb 0.63 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3bwk h VAL 57 CO 0.02 0.22 0.47 1.23 0.02 0.00 0.00 177.57 179.53 3bwk h GLY 58 N 0.74 0.93 1.77 2.17 0.00 -0.82 0.12 103.07 107.97 3bwk h GLY 58 Ca 0.19 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3bwk h GLY 58 CO -0.03 0.21 -0.37 1.48 0.00 0.00 0.00 176.54 177.83 3bwk h SER 59 N 0.72 0.27 -0.12 0.19 4.64 -0.86 -0.47 113.55 117.92 3bwk h SER 59 Ca 0.31 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 3bwk h SER 59 Cb 0.30 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3bwk h SER 59 CO -0.11 0.62 -0.30 0.58 -0.87 0.00 0.00 176.83 176.76 3bwk h VAL 60 N 0.22 1.38 -0.50 0.95 2.07 -0.89 -1.82 116.25 117.66 3bwk h VAL 60 Ca 0.02 -1.60 0.10 0.00 0.82 0.00 0.00 66.70 66.05 3bwk h VAL 60 Cb 0.76 2.10 -0.10 0.00 -1.52 0.00 0.00 31.29 32.53 3bwk h VAL 60 CO 0.06 0.47 -0.17 -0.33 0.02 0.00 0.00 177.57 177.62 3bwk h GLU 61 N -0.00 -0.06 -0.62 1.57 5.08 -0.60 -1.36 114.58 118.59 3bwk h GLU 61 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3bwk h GLU 61 Cb 0.91 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3bwk h GLU 61 CO 0.07 -0.04 0.40 0.77 -1.00 0.00 0.00 179.01 179.20 3bwk h SER 62 N -0.06 0.67 -0.19 1.42 0.02 -1.02 -1.43 113.55 112.95 3bwk h SER 62 Ca 0.24 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3bwk h SER 62 Cb 0.42 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3bwk h SER 62 CO -0.54 0.48 0.13 -0.61 -1.14 0.00 0.00 176.83 175.15 3bwk h GLN 63 N 0.80 0.26 -0.98 3.45 5.75 -0.88 -0.92 115.11 122.58 3bwk h GLN 63 Ca 0.23 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.78 3bwk h GLN 63 Cb -0.05 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.38 3bwk h GLN 63 CO -0.07 0.17 0.64 1.88 -2.65 0.00 0.00 178.83 178.80 3bwk h TYR 64 N 0.26 1.17 -0.14 3.99 -1.99 -1.14 0.21 116.97 119.33 3bwk h TYR 64 Ca 0.07 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 3bwk h TYR 64 Cb -0.03 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.31 3bwk h TYR 64 CO -0.06 0.61 0.07 0.00 -0.00 0.00 0.00 178.16 178.78 3bwk h ALA 65 N 1.47 0.18 0.13 3.88 0.00 -0.74 0.22 119.26 124.40 3bwk h ALA 65 Ca 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3bwk h ALA 65 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3bwk h ALA 65 CO -0.16 -0.28 -0.06 0.82 0.00 0.00 0.00 179.25 179.57 3bwk h ILE 66 N 0.12 1.03 0.01 0.00 2.04 -0.93 0.30 117.51 120.08 3bwk h ILE 66 Ca 0.05 -0.71 -0.20 0.00 1.00 0.00 0.00 64.86 65.00 3bwk h ILE 66 Cb 0.09 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3bwk h ILE 66 CO -0.01 0.17 -0.92 0.03 0.00 0.00 0.00 178.15 177.42 3bwk h ARG 67 N -0.51 0.05 0.00 2.37 2.47 -0.61 -3.34 114.38 114.81 3bwk h ARG 67 Ca -0.02 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3bwk h ARG 67 Cb 0.41 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3bwk h ARG 67 CO 0.03 0.93 -0.69 1.63 0.56 0.00 0.00 179.97 182.43 3bwk n LYS 68 N -3.50 2.44 -3.68 0.04 5.02 0.77 -5.02 118.16 114.22 3bwk n LYS 68 Ca -0.01 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 3bwk n LYS 68 Cb 0.86 -1.15 0.04 0.00 -0.02 0.00 0.00 35.03 34.76 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 -1.35 -2.27 -3.77 1.97 5.02 0.11 -4.99 118.16 112.87 3bwk n LYS 69 Ca 0.02 0.52 -0.06 0.00 -2.02 0.00 0.00 58.31 56.77 3bwk n LYS 69 Cb 0.22 -4.53 -0.02 0.00 -0.02 0.00 0.00 35.03 30.68 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 -3.57 -1.45 -0.29 7.82 0.00 -1.25 -5.08 121.76 117.94 3bwk s ALA 70 Ca 0.32 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 3bwk s ALA 70 Cb -0.10 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 3bwk s ALA 70 CO 0.84 -1.01 0.50 -1.17 0.00 0.00 0.00 175.76 174.92 3bwk s LEU 71 N -2.90 4.13 -0.17 0.00 2.96 -1.26 -4.09 118.68 117.35 3bwk s LEU 71 Ca 0.11 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3bwk s LEU 71 Cb -0.04 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.07 3bwk s LEU 71 CO 0.03 -0.33 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.21 3bwk s PHE 72 N 2.31 2.49 -0.18 5.38 0.40 -1.26 -5.09 117.98 122.03 3bwk s PHE 72 Ca 0.20 -1.47 -0.01 0.00 -0.60 0.00 0.00 56.93 55.05 3bwk s PHE 72 Cb -0.16 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.62 3bwk s PHE 72 CO 0.11 -0.74 -0.12 -0.51 0.70 0.00 0.00 175.22 174.65 3bwk s LEU 73 N 1.38 2.59 0.34 -0.37 1.43 -1.26 -4.76 118.68 118.03 3bwk s LEU 73 Ca 0.04 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3bwk s LEU 73 Cb -0.13 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3bwk s LEU 73 CO -0.11 0.04 0.09 -0.36 0.23 0.00 0.00 176.35 176.23 3bwk s PHE 74 N 1.07 2.64 -0.39 0.29 2.99 -1.26 -0.75 117.98 122.57 3bwk s PHE 74 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 56.93 56.32 3bwk s PHE 74 Cb -0.15 -1.57 0.01 0.00 0.00 0.00 0.00 43.02 41.31 3bwk s PHE 74 CO -0.03 0.40 0.64 0.45 -0.00 0.00 0.00 175.22 176.68 3bwk s SER 75 N -3.79 6.39 0.35 1.36 0.15 0.35 -4.21 113.70 114.30 3bwk s SER 75 Ca 0.36 -0.03 0.14 0.00 0.70 0.00 0.00 55.95 57.12 3bwk s SER 75 Cb -0.01 -2.32 0.66 0.00 -1.71 0.00 0.00 66.02 62.63 3bwk s SER 75 CO 0.21 -0.66 1.77 -0.33 1.20 0.00 0.00 173.24 175.43 3bwk h GLU 76 N 8.62 0.00 -0.61 5.44 3.07 -1.89 -3.29 114.58 125.92 3bwk h GLU 76 Ca -0.26 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.52 3bwk h GLU 76 Cb 1.11 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 3bwk h GLU 76 CO 0.86 0.42 0.08 0.37 -1.40 0.00 0.00 179.01 179.34 3bwk h GLN 77 N 0.00 1.01 -0.68 2.33 5.75 -1.86 -1.65 115.11 120.01 3bwk h GLN 77 Ca -0.00 -0.27 0.07 0.00 -0.15 0.00 0.00 58.65 58.30 3bwk h GLN 77 Cb 0.80 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.16 3bwk h GLN 77 CO 0.06 0.94 0.35 1.49 -2.65 0.00 0.00 178.83 179.02 3bwk h GLU 78 N 0.95 0.62 -0.42 1.69 4.22 -1.80 0.56 114.58 120.40 3bwk h GLU 78 Ca 0.19 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.55 3bwk h GLU 78 Cb 0.44 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3bwk h GLU 78 CO 0.01 0.41 0.10 -0.07 -2.18 0.00 0.00 179.01 177.29 3bwk h LEU 79 N 0.64 0.63 -0.45 1.64 3.38 -1.60 0.12 115.31 119.66 3bwk h LEU 79 Ca 0.32 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3bwk h LEU 79 Cb 0.26 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3bwk h LEU 79 CO -0.22 0.70 0.08 0.58 0.09 0.00 0.00 178.44 179.67 3bwk h VAL 80 N 0.53 0.75 0.01 1.22 2.07 -0.77 -0.22 116.25 119.85 3bwk h VAL 80 Ca 0.13 -0.07 -0.24 0.00 0.82 0.00 0.00 66.70 67.34 3bwk h VAL 80 Cb 0.31 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3bwk h VAL 80 CO 0.00 0.04 -0.98 0.44 0.02 0.00 0.00 177.57 177.09 3bwk h ASP 81 N 0.21 0.58 0.00 0.57 3.32 -0.84 -3.38 116.42 116.89 3bwk h ASP 81 Ca 0.22 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3bwk h ASP 81 Cb 0.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3bwk h ASP 81 CO -0.30 1.28 -1.21 0.00 -1.72 0.00 0.00 179.24 177.29 3bwk s SER 83 N -2.92 6.17 0.47 0.00 0.15 -0.11 -4.83 113.70 112.63 3bwk s SER 83 Ca -0.02 -0.81 0.31 0.00 0.70 0.00 0.00 55.95 56.13 3bwk s SER 83 Cb 0.08 -2.56 1.27 0.00 -1.71 0.00 0.00 66.02 63.09 3bwk s SER 83 CO 0.47 -1.80 1.91 -0.37 1.20 0.00 0.00 173.24 174.65 3bwk h VAL 84 N 6.47 0.00 0.00 4.45 -1.51 -1.90 -2.42 116.25 121.34 3bwk h VAL 84 Ca -0.06 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3bwk h VAL 84 Cb 1.04 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3bwk h VAL 84 CO 1.33 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 177.96 3bwk n LYS 85 N -2.85 0.08 -4.57 5.19 5.02 -1.26 -4.85 118.16 114.92 3bwk n LYS 85 Ca 0.01 0.16 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 3bwk n LYS 85 Cb 0.28 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 3bwk n LYS 85 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3bwk s ASN 86 N -3.46 4.23 -0.27 4.39 0.01 -0.91 -4.88 114.94 114.05 3bwk s ASN 86 Ca 0.10 -1.55 0.08 0.00 -0.71 0.00 0.00 52.86 50.79 3bwk s ASN 86 Cb 0.14 0.44 0.45 0.00 0.41 0.00 0.00 41.25 42.69 3bwk s ASN 86 CO 0.46 -0.88 1.22 0.59 -1.51 0.00 0.00 177.10 176.98 3bwk n ASN 87 N -1.35 3.89 0.00 -1.22 3.02 0.21 -4.94 115.26 114.87 3bwk n ASN 87 Ca -0.15 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.60 3bwk n ASN 87 Cb 0.66 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.86 3.40 0.07 7.41 0.00 -1.25 -0.85 105.19 113.12 3bwk n GLY 88 Ca 0.36 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.98 0.00 0.00 0.00 4.02 -0.03 -1.12 117.16 118.06 3bwk n TYR 90 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3bwk n TYR 90 Cb 0.33 -0.34 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 1.45 1.53 0.00 2.72 0.00 -1.18 -4.95 105.19 104.77 3bwk n GLY 91 Ca 0.08 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.33 0.64 3.05 -0.02 0.00 -1.26 -0.62 105.19 105.65 3bwk n GLY 92 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.46 0.70 0.07 1.61 1.51 -1.26 -4.88 117.35 112.64 3bwk s TYR 93 Ca 0.00 -0.36 -0.23 0.00 -1.01 0.00 0.00 57.07 55.47 3bwk s TYR 93 Cb 0.00 -0.43 -0.16 0.00 -0.11 0.00 0.00 41.96 41.27 3bwk s TYR 93 CO 0.00 -0.04 1.66 0.82 -1.11 0.00 0.00 175.55 176.88 3bwk h ILE 94 N 4.64 1.07 -0.20 2.71 2.04 -2.00 -2.05 117.51 123.73 3bwk h ILE 94 Ca -0.34 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3bwk h ILE 94 Cb 1.20 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3bwk h ILE 94 CO 0.44 0.05 0.11 0.71 0.00 0.00 0.00 178.15 179.46 3bwk h THR 95 N -0.08 1.11 -0.61 -0.27 1.35 -1.97 -2.31 112.91 110.13 3bwk h THR 95 Ca 0.00 -0.31 0.11 0.00 -0.55 0.00 0.00 66.41 65.66 3bwk h THR 95 Cb 0.09 0.96 -0.08 0.00 -1.73 0.00 0.00 68.15 67.38 3bwk h THR 95 CO -0.00 0.11 0.16 0.78 -0.25 0.00 0.00 175.52 176.32 3bwk h ASN 96 N 0.21 0.06 -0.14 5.36 4.21 -1.93 -0.15 115.58 123.19 3bwk h ASN 96 Ca 0.07 0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.71 3bwk h ASN 96 Cb 0.08 0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 3bwk h ASN 96 CO -0.01 0.04 -0.00 0.00 -1.29 0.00 0.00 177.43 176.16 3bwk h ALA 97 N 1.47 0.12 -0.64 -0.83 0.00 -1.17 -1.31 119.26 116.90 3bwk h ALA 97 Ca 0.32 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 3bwk h ALA 97 Cb 0.47 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3bwk h ALA 97 CO -0.39 -0.45 0.21 0.74 0.00 0.00 0.00 179.25 179.36 3bwk h PHE 98 N 0.04 1.03 -0.39 0.00 0.04 -0.84 0.17 116.94 116.99 3bwk h PHE 98 Ca 0.07 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.79 3bwk h PHE 98 Cb 0.08 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 37.88 3bwk h PHE 98 CO -0.15 0.84 0.09 -0.44 -0.60 0.00 0.00 178.31 178.05 3bwk h ASP 99 N 0.93 0.04 0.25 2.17 3.32 -0.82 -1.86 116.42 120.44 3bwk h ASP 99 Ca 0.21 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 3bwk h ASP 99 Cb 0.29 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3bwk h ASP 99 CO -0.01 0.06 -0.43 0.44 -1.72 0.00 0.00 179.24 177.58 3bwk h ASP 100 N 0.23 0.25 -0.54 6.45 3.45 -1.07 -0.61 116.42 124.58 3bwk h ASP 100 Ca 0.19 -0.11 0.08 0.00 0.43 0.00 0.00 57.03 57.62 3bwk h ASP 100 Cb 0.21 -0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 38.84 3bwk h ASP 100 CO -0.23 0.66 0.17 0.24 -1.57 0.00 0.00 179.24 178.51 3bwk h MET 101 N 0.20 0.33 0.64 3.56 2.86 -0.39 -0.08 114.93 122.05 3bwk h MET 101 Ca 0.02 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3bwk h MET 101 Cb 0.84 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.44 3bwk h MET 101 CO 0.07 0.22 -0.31 0.82 1.06 0.00 0.00 176.91 178.77 3bwk h ILE 102 N 0.34 0.09 -0.58 -1.22 2.04 -1.04 -1.19 117.51 115.94 3bwk h ILE 102 Ca 0.27 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3bwk h ILE 102 Cb 0.32 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3bwk h ILE 102 CO -0.29 0.01 0.39 0.44 0.00 0.00 0.00 178.15 178.70 3bwk h ASP 103 N -1.19 0.54 0.86 1.72 3.32 -1.11 -1.38 116.42 119.19 3bwk h ASP 103 Ca -0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3bwk h ASP 103 Cb 0.68 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3bwk h ASP 103 CO 0.14 0.36 0.00 0.18 -1.72 0.00 0.00 179.24 178.21 3bwk n LEU 104 N -4.47 0.40 0.00 1.55 4.77 -0.05 -4.91 117.00 114.29 3bwk n LEU 104 Ca 0.08 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3bwk n LEU 104 Cb 0.18 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3bwk n LEU 104 CO 0.34 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3bwk n GLY 105 N 0.52 0.81 0.00 -0.72 0.00 -0.52 -5.01 105.19 100.28 3bwk n GLY 105 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.35 1.78 3.90 -0.02 0.00 -0.46 -4.60 105.19 103.44 3bwk n GLY 106 Ca 0.00 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.52 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 3.78 0.23 0.99 1.43 0.12 -4.73 118.68 120.49 3bwk s LEU 107 Ca 0.00 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 3bwk s LEU 107 Cb 0.00 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3bwk s LEU 107 CO 0.00 -0.45 0.39 0.00 0.23 0.00 0.00 176.35 176.52 3bwk s SER 109 N -3.53 5.08 0.23 0.00 1.04 -1.26 -0.50 113.70 114.76 3bwk s SER 109 Ca 0.37 2.25 -0.08 0.00 0.48 0.00 0.00 55.95 58.97 3bwk s SER 109 Cb -0.10 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.68 3bwk s SER 109 CO 0.30 -1.66 1.87 -0.61 0.98 0.00 0.00 173.24 174.12 3bwk h GLN 110 N 0.52 1.00 -0.15 4.02 4.15 -1.11 -2.75 115.11 120.79 3bwk h GLN 110 Ca -0.49 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 58.78 3bwk h GLN 110 Cb 1.28 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 3bwk h GLN 110 CO 0.54 0.66 -0.32 -0.44 -1.93 0.00 0.00 178.83 177.34 3bwk h ASP 111 N 1.03 0.30 0.59 -0.69 3.32 -1.93 -2.71 116.42 116.33 3bwk h ASP 111 Ca 0.33 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 3bwk h ASP 111 Cb 0.01 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3bwk h ASP 111 CO -0.11 0.61 -0.45 0.44 -1.72 0.00 0.00 179.24 178.01 3bwk h ASP 112 N 0.26 0.00 -1.90 6.45 3.32 -1.84 -3.39 116.42 119.32 3bwk h ASP 112 Ca 0.03 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.55 3bwk h ASP 112 Cb 0.70 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.88 3bwk h ASP 112 CO 0.05 0.45 -1.04 0.00 -1.72 0.00 0.00 179.24 176.98 3bwk n TYR 113 N -3.81 -0.72 -1.09 4.55 -0.00 -1.06 -4.72 117.16 110.31 3bwk n TYR 113 Ca -0.01 -3.36 -0.31 0.00 -0.00 0.00 0.00 57.90 54.22 3bwk n TYR 113 Cb 0.50 -0.09 0.12 0.00 -0.00 0.00 0.00 39.34 39.87 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 -0.83 1.76 -0.04 2.98 0.02 -1.04 -4.50 135.00 133.36 3bwk s PRO 114 Ca 0.34 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.31 3bwk s PRO 114 Cb 0.15 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.81 3bwk s PRO 114 CO -0.13 -2.01 0.94 -0.47 -0.33 0.00 0.00 177.00 175.00 3bwk s TYR 115 N -2.83 3.61 -0.04 6.54 5.04 -1.26 -4.77 117.35 123.63 3bwk s TYR 115 Ca 0.63 1.60 0.06 0.00 -2.44 0.00 0.00 57.07 56.92 3bwk s TYR 115 Cb -0.19 -3.08 0.10 0.00 0.35 0.00 0.00 41.96 39.13 3bwk s TYR 115 CO 0.57 -0.05 0.98 1.33 -1.34 0.00 0.00 175.55 177.04 3bwk n VAL 116 N 4.05 1.05 0.00 3.14 0.24 -1.26 -5.09 118.33 120.46 3bwk n VAL 116 Ca 0.05 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 3bwk n VAL 116 Cb 0.50 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 -0.69 0.00 0.00 -1.34 3.41 -1.26 -1.83 113.62 111.91 3bwk n SER 117 Ca 0.05 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.81 3bwk n SER 117 Cb 0.47 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 65.26 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 5.30 0.00 -4.65 4.04 0.23 -1.26 -4.81 115.26 114.11 3bwk n ASN 118 Ca 0.00 -0.70 -0.43 0.00 -0.53 0.00 0.00 54.58 52.92 3bwk n ASN 118 Cb 0.00 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.59 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 -2.17 4.16 0.27 -4.53 2.96 -0.76 -4.97 118.68 113.65 3bwk s LEU 119 Ca 0.40 1.94 -0.30 0.00 -0.22 0.00 0.00 54.13 55.95 3bwk s LEU 119 Cb 0.20 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.25 3bwk s LEU 119 CO 0.37 -0.99 1.50 -2.84 -1.32 0.00 0.00 176.35 173.07 3bwk s PRO 120 N 4.12 4.21 -0.10 0.98 0.02 -1.26 -4.94 135.00 138.03 3bwk s PRO 120 Ca 0.69 2.41 -0.05 0.00 0.02 0.00 0.00 61.00 64.07 3bwk s PRO 120 Cb -0.28 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.21 3bwk s PRO 120 CO 0.26 -0.50 0.24 -2.00 -0.33 0.00 0.00 177.00 174.67 3bwk s GLU 121 N -0.43 0.20 0.59 5.54 2.12 -1.26 -5.15 118.70 120.31 3bwk s GLU 121 Ca 0.61 0.50 -0.17 0.00 0.36 0.00 0.00 54.97 56.27 3bwk s GLU 121 Cb -0.44 -0.11 -0.03 0.00 0.26 0.00 0.00 34.13 33.81 3bwk s GLU 121 CO 0.45 -0.15 1.12 0.99 -0.54 0.00 0.00 175.26 177.12 3bwk s THR 122 N 1.16 3.24 -0.08 -1.70 2.01 -1.26 -4.78 115.64 114.23 3bwk s THR 122 Ca -0.09 0.68 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 3bwk s THR 122 Cb -0.10 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3bwk s THR 122 CO -0.08 -0.26 1.24 0.00 -0.69 0.00 0.00 174.62 174.84 3bwk s ASN 124 N 1.67 1.38 0.05 0.00 2.47 -1.26 -4.99 114.94 114.26 3bwk s ASN 124 Ca 0.56 -1.76 0.22 0.00 0.42 0.00 0.00 52.86 52.31 3bwk s ASN 124 Cb -0.24 0.40 0.92 0.00 -1.45 0.00 0.00 41.25 40.88 3bwk s ASN 124 CO 0.20 -0.26 1.70 0.18 -3.72 0.00 0.00 177.10 175.21 3bwk n LEU 125 N 4.10 0.16 0.29 3.21 4.77 -1.26 -2.13 117.00 126.14 3bwk n LEU 125 Ca 0.12 0.53 0.19 0.00 -0.03 0.00 0.00 56.01 56.82 3bwk n LEU 125 Cb 0.44 -0.49 0.91 0.00 -2.33 0.00 0.00 43.42 41.95 3bwk n LEU 125 CO 0.09 -0.18 1.06 0.11 -1.33 0.00 0.00 177.39 177.14 3bwk h LYS 126 N 0.00 0.00 0.00 3.23 1.57 -2.02 -1.63 116.57 117.72 3bwk h LYS 126 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bwk h LYS 126 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3bwk h LYS 126 CO 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.86 3bwk h ARG 127 N 0.00 0.00 -6.12 3.15 3.08 -1.79 -3.44 114.38 109.26 3bwk h ARG 127 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3bwk h ARG 127 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3bwk h ARG 127 CO 0.00 0.02 0.27 0.00 -1.07 0.00 0.00 179.97 179.20 3bwk n ASN 129 N 4.30 0.00 -4.88 0.00 3.02 -1.26 -4.96 115.26 111.48 3bwk n ASN 129 Ca 0.03 0.06 -0.30 0.00 -0.03 0.00 0.00 54.58 54.34 3bwk n ASN 129 Cb 0.50 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 3bwk n ASN 129 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3bwk s GLU 130 N -0.18 3.78 0.06 3.52 2.12 -1.26 -5.09 118.70 121.65 3bwk s GLU 130 Ca 0.00 0.46 0.06 0.00 0.36 0.00 0.00 54.97 55.85 3bwk s GLU 130 Cb 0.00 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 3bwk s GLU 130 CO 0.00 -0.03 -0.17 1.03 -0.54 0.00 0.00 175.26 175.56 3bwk s ARG 131 N -3.82 1.01 -0.19 4.30 1.81 -1.26 -4.41 118.95 116.39 3bwk s ARG 131 Ca 0.51 -0.92 -0.01 0.00 -1.72 0.00 0.00 55.73 53.59 3bwk s ARG 131 Cb -0.10 -1.09 0.05 0.00 -0.45 0.00 0.00 34.95 33.36 3bwk s ARG 131 CO 0.31 0.26 -0.02 0.71 -0.68 0.00 0.00 175.30 175.88 3bwk s TYR 132 N -1.02 1.62 0.39 -0.53 2.02 -0.37 -4.88 117.35 114.59 3bwk s TYR 132 Ca 0.02 -1.14 0.01 0.00 -0.37 0.00 0.00 57.07 55.59 3bwk s TYR 132 Cb -0.09 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3bwk s TYR 132 CO 0.02 -0.64 0.60 0.95 -1.57 0.00 0.00 175.55 174.91 3bwk s THR 133 N 1.66 4.56 0.28 -0.71 -4.23 -1.26 0.15 115.64 116.09 3bwk s THR 133 Ca -0.01 -0.51 0.11 0.00 -1.18 0.00 0.00 61.69 60.10 3bwk s THR 133 Cb -0.17 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 3bwk s THR 133 CO -0.07 -0.44 -0.15 0.27 -0.54 0.00 0.00 174.62 173.69 3bwk s ILE 134 N -2.41 2.66 -0.19 2.99 -4.36 -1.26 -4.96 121.20 113.67 3bwk s ILE 134 Ca 0.44 -2.30 -0.06 0.00 -0.26 0.00 0.00 60.65 58.47 3bwk s ILE 134 Cb -0.10 -2.43 -0.21 0.00 1.25 0.00 0.00 42.46 40.97 3bwk s ILE 134 CO 0.36 -0.38 0.09 1.17 0.24 0.00 0.00 174.94 176.42 3bwk n LYS 135 N -0.69 0.69 -2.24 0.37 4.81 0.64 -4.84 118.16 116.89 3bwk n LYS 135 Ca -0.05 0.26 -0.03 0.00 -0.87 0.00 0.00 58.31 57.62 3bwk n LYS 135 Cb 0.60 -1.63 0.01 0.00 0.02 0.00 0.00 35.03 34.03 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 -3.58 -0.87 -3.81 3.14 3.41 -1.07 -4.99 113.62 105.84 3bwk n SER 136 Ca -0.39 -1.56 -0.09 0.00 -0.26 0.00 0.00 58.87 56.57 3bwk n SER 136 Cb 0.97 1.45 -0.07 0.00 -0.26 0.00 0.00 64.21 66.30 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 -5.58 0.07 -0.05 7.33 1.13 -0.81 -0.54 117.35 118.90 3bwk s TYR 137 Ca 0.08 -0.45 0.01 0.00 -1.41 0.00 0.00 57.07 55.30 3bwk s TYR 137 Cb -0.02 0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 3bwk s TYR 137 CO 0.04 -0.56 -0.06 0.54 -2.51 0.00 0.00 175.55 172.99 3bwk s VAL 138 N -3.71 0.67 0.13 -3.49 0.11 -0.38 -0.89 120.40 112.83 3bwk s VAL 138 Ca 0.03 -0.22 -0.31 0.00 -2.93 0.00 0.00 61.98 58.56 3bwk s VAL 138 Cb 0.04 -0.66 -0.07 0.00 -1.53 0.00 0.00 36.38 34.15 3bwk s VAL 138 CO -0.10 0.25 1.26 -0.55 -3.33 0.00 0.00 175.10 172.63 3bwk s SER 139 N 0.77 6.99 -0.32 3.54 0.15 -1.26 -1.41 113.70 122.16 3bwk s SER 139 Ca -0.12 2.21 -0.12 0.00 0.70 0.00 0.00 55.95 58.62 3bwk s SER 139 Cb -0.14 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3bwk s SER 139 CO 0.01 -0.50 0.23 -0.63 1.20 0.00 0.00 173.24 173.55 3bwk s ILE 140 N 0.65 5.29 0.70 6.45 -1.09 -0.07 -4.33 121.20 128.80 3bwk s ILE 140 Ca 0.58 -0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.80 3bwk s ILE 140 Cb -0.33 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 36.91 3bwk s ILE 140 CO 0.33 0.08 1.24 -2.65 -1.23 0.00 0.00 174.94 172.70 3bwk n PRO 141 N 5.11 0.78 0.30 2.79 -0.02 -1.26 -4.70 135.00 137.99 3bwk n PRO 141 Ca -0.13 0.33 0.19 0.00 -2.02 0.00 0.00 63.50 61.87 3bwk n PRO 141 Cb 0.51 -2.47 0.87 0.00 -0.02 0.00 0.00 33.50 32.38 3bwk n PRO 141 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3bwk h ASP 142 N 0.04 0.00 -0.39 2.55 3.32 -1.96 -2.14 116.42 117.83 3bwk h ASP 142 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3bwk h ASP 142 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3bwk h ASP 142 CO 0.50 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.14 3bwk n ASP 143 N -3.15 2.45 -0.16 6.45 5.75 -1.26 -4.41 116.55 122.23 3bwk n ASP 143 Ca -0.01 -2.09 0.02 0.00 -0.01 0.00 0.00 54.79 52.70 3bwk n ASP 143 Cb 0.22 -0.33 0.03 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.64 0.84 -0.27 0.11 4.76 -0.80 -4.89 118.16 118.54 3bwk n LYS 144 Ca 0.14 -1.23 -0.05 0.00 -2.87 0.00 0.00 58.31 54.29 3bwk n LYS 144 Cb 0.42 -0.79 0.06 0.00 -1.84 0.00 0.00 35.03 32.89 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 1.02 -0.37 2.13 -1.00 -1.77 -1.09 116.94 115.87 3bwk h PHE 145 Ca 0.00 -0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.65 3bwk h PHE 145 Cb 1.02 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 3bwk h PHE 145 CO 0.03 0.73 -0.18 0.87 -1.61 0.00 0.00 178.31 178.15 3bwk h LYS 146 N 1.02 0.77 -0.12 1.51 1.57 -1.88 -0.08 116.57 119.37 3bwk h LYS 146 Ca 0.26 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3bwk h LYS 146 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3bwk h LYS 146 CO -0.04 0.96 0.07 1.49 -0.57 0.00 0.00 179.45 181.35 3bwk h GLU 147 N 0.57 0.16 0.07 3.15 4.81 -1.92 0.97 114.58 122.40 3bwk h GLU 147 Ca 0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3bwk h GLU 147 Cb 0.72 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3bwk h GLU 147 CO 0.05 0.18 -0.11 0.00 -0.73 0.00 0.00 179.01 178.41 3bwk h ALA 148 N 0.97 -0.18 -0.43 2.92 0.00 -1.17 -1.26 119.26 120.11 3bwk h ALA 148 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3bwk h ALA 148 Cb 0.07 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3bwk h ALA 148 CO -0.01 -0.62 0.10 1.25 0.00 0.00 0.00 179.25 179.97 3bwk h LEU 149 N -0.22 0.03 -0.33 0.00 5.85 -0.93 0.36 115.31 120.07 3bwk h LEU 149 Ca 0.02 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3bwk h LEU 149 Cb 0.23 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3bwk h LEU 149 CO -0.05 0.05 0.10 -0.09 -0.34 0.00 0.00 178.44 178.10 3bwk h ARG 150 N 0.23 0.52 0.00 1.25 9.65 -0.57 -3.17 114.38 122.30 3bwk h ARG 150 Ca 0.21 -0.12 -0.10 0.00 -1.10 0.00 0.00 59.98 58.88 3bwk h ARG 150 Cb 0.25 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 3bwk h ARG 150 CO -0.27 0.57 -1.95 0.66 2.80 0.00 0.00 179.97 181.78 3bwk n TYR 151 N -4.65 0.00 -0.13 2.20 4.02 -0.50 -4.68 117.16 113.43 3bwk n TYR 151 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 3bwk n TYR 151 Cb 0.18 -0.56 -0.09 0.00 -0.02 0.00 0.00 39.34 38.85 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 -2.30 1.84 0.00 7.72 4.32 0.12 -4.75 117.00 123.94 3bwk n LEU 152 Ca -0.11 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 3bwk n LEU 152 Cb 0.66 -0.74 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 3bwk n LEU 152 CO 0.38 0.54 0.00 0.61 -1.22 0.00 0.00 177.39 177.71 3bwk n GLY 153 N 1.48 0.94 3.60 -0.72 0.00 -0.74 -4.98 105.19 104.77 3bwk n GLY 153 Ca -0.49 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.14 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 -1.14 0.94 -4.84 1.61 -0.02 -1.26 -4.01 135.00 126.27 3bwk n PRO 154 Ca 0.00 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.51 3bwk n PRO 154 Cb 0.00 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 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 -1.50 2.66 -0.22 4.25 1.01 -0.62 -4.74 121.20 122.04 3bwk s ILE 155 Ca 0.73 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 3bwk s ILE 155 Cb -0.44 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 3bwk s ILE 155 CO 0.49 0.53 1.30 -0.55 0.00 0.00 0.00 174.94 176.71 3bwk s SER 156 N 0.47 6.82 0.06 3.58 0.15 -0.11 -0.64 113.70 124.02 3bwk s SER 156 Ca -0.12 1.52 0.04 0.00 0.70 0.00 0.00 55.95 58.10 3bwk s SER 156 Cb -0.16 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 3bwk s SER 156 CO 0.05 -0.90 -0.13 0.27 1.20 0.00 0.00 173.24 173.73 3bwk s ILE 157 N 3.90 0.99 0.66 6.45 -4.36 -0.61 -1.08 121.20 127.15 3bwk s ILE 157 Ca 0.56 -1.18 -0.11 0.00 -0.26 0.00 0.00 60.65 59.66 3bwk s ILE 157 Cb -0.20 -0.96 -0.02 0.00 1.25 0.00 0.00 42.46 42.53 3bwk s ILE 157 CO 0.18 -0.20 1.06 -0.94 0.24 0.00 0.00 174.94 175.28 3bwk s SER 158 N -1.55 5.90 -0.04 4.36 1.04 -0.74 -1.00 113.70 121.66 3bwk s SER 158 Ca -0.03 1.32 -0.17 0.00 0.48 0.00 0.00 55.95 57.55 3bwk s SER 158 Cb -0.09 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.78 3bwk s SER 158 CO 0.02 -1.07 0.38 -0.51 0.98 0.00 0.00 173.24 173.04 3bwk s ILE 159 N -3.24 0.04 -0.70 -1.02 2.07 -0.30 -1.78 121.20 116.27 3bwk s ILE 159 Ca 0.56 -0.32 -0.17 0.00 -1.41 0.00 0.00 60.65 59.31 3bwk s ILE 159 Cb -0.11 -0.67 0.14 0.00 0.13 0.00 0.00 42.46 41.95 3bwk s ILE 159 CO 0.53 -0.18 0.77 0.00 -1.91 0.00 0.00 174.94 174.15 3bwk s ALA 160 N -1.06 3.61 0.03 1.50 0.00 0.18 -1.54 121.76 124.48 3bwk s ALA 160 Ca -0.11 -2.64 -0.21 0.00 0.00 0.00 0.00 51.96 49.00 3bwk s ALA 160 Cb -0.04 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 3bwk s ALA 160 CO 0.05 -2.40 0.62 0.00 0.00 0.00 0.00 175.76 174.02 3bwk s ALA 161 N 1.90 3.50 0.58 0.00 0.00 -1.26 -1.45 121.76 125.03 3bwk s ALA 161 Ca 0.16 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.27 3bwk s ALA 161 Cb -0.18 -2.75 0.07 0.00 0.00 0.00 0.00 23.12 20.26 3bwk s ALA 161 CO -0.01 0.23 0.60 -1.54 0.00 0.00 0.00 175.76 175.04 3bwk s SER 162 N -0.50 4.78 0.22 0.00 1.04 -1.26 -4.18 113.70 113.80 3bwk s SER 162 Ca 0.31 -1.14 -0.06 0.00 0.48 0.00 0.00 55.95 55.55 3bwk s SER 162 Cb -0.19 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.65 3bwk s SER 162 CO 0.19 -1.30 1.70 0.44 0.98 0.00 0.00 173.24 175.25 3bwk h ASP 163 N 0.42 0.93 -0.91 7.02 3.32 -1.94 -1.68 116.42 123.58 3bwk h ASP 163 Ca -0.32 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 56.56 3bwk h ASP 163 Cb 1.30 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 3bwk h ASP 163 CO 0.49 0.97 0.59 0.44 -1.72 0.00 0.00 179.24 180.01 3bwk h ASP 164 N 0.88 0.88 -0.36 6.45 3.45 -1.96 -1.03 116.42 124.74 3bwk h ASP 164 Ca 0.17 0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.49 3bwk h ASP 164 Cb 0.49 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3bwk h ASP 164 CO 0.02 0.55 -0.36 0.15 -1.57 0.00 0.00 179.24 178.04 3bwk h PHE 165 N 0.99 1.05 -0.85 4.55 3.57 -1.76 -2.51 116.94 121.99 3bwk h PHE 165 Ca 0.40 -0.32 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3bwk h PHE 165 Cb 0.26 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3bwk h PHE 165 CO -0.00 1.12 0.55 0.00 -2.23 0.00 0.00 178.31 177.75 3bwk h ALA 166 N 0.75 1.12 -0.71 2.41 0.00 -0.39 -2.98 119.26 119.46 3bwk h ALA 166 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bwk h ALA 166 Cb 0.95 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3bwk h ALA 166 CO 0.09 0.38 0.00 1.19 0.00 0.00 0.00 179.25 180.91 3bwk n PHE 167 N -4.56 0.95 -1.96 0.00 0.99 -0.48 -4.96 117.46 107.45 3bwk n PHE 167 Ca 0.11 -0.48 -0.42 0.00 -0.00 0.00 0.00 57.45 56.66 3bwk n PHE 167 Cb 0.09 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.54 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 -1.05 2.51 -0.11 1.38 6.14 -0.95 -4.90 117.35 120.37 3bwk s TYR 168 Ca 0.48 0.39 0.15 0.00 0.64 0.00 0.00 57.07 58.73 3bwk s TYR 168 Cb 0.25 -3.93 0.24 0.00 0.42 0.00 0.00 41.96 38.94 3bwk s TYR 168 CO 0.32 -3.69 1.12 0.54 0.64 0.00 0.00 175.55 174.49 3bwk n ARG 169 N 5.45 1.04 0.00 4.97 5.12 -1.26 -1.38 116.66 130.60 3bwk n ARG 169 Ca 0.15 -2.30 0.00 0.00 -1.93 0.00 0.00 57.85 53.78 3bwk n ARG 169 Cb 0.41 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.16 1.40 2.38 -0.13 0.00 -1.25 -4.59 105.19 101.83 3bwk n GLY 170 Ca 0.13 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.27 -2.28 3.66 -0.02 0.00 -1.26 -4.89 105.19 100.13 3bwk n GLY 171 Ca 0.00 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.26 3.16 -0.10 1.61 2.19 -1.26 -4.93 117.98 118.39 3bwk s PHE 172 Ca 0.00 1.29 -0.30 0.00 0.33 0.00 0.00 56.93 58.26 3bwk s PHE 172 Cb 0.00 -3.36 -0.03 0.00 -1.31 0.00 0.00 43.02 38.32 3bwk s PHE 172 CO 0.00 -0.96 1.32 -0.47 1.83 0.00 0.00 175.22 176.94 3bwk s TYR 173 N 3.18 2.82 -0.08 10.12 6.14 -1.26 -4.89 117.35 133.38 3bwk s TYR 173 Ca 0.49 0.92 0.12 0.00 0.64 0.00 0.00 57.07 59.24 3bwk s TYR 173 Cb -0.18 -3.56 0.18 0.00 0.42 0.00 0.00 41.96 38.82 3bwk s TYR 173 CO 0.11 -2.00 1.08 -0.40 0.64 0.00 0.00 175.55 174.98 3bwk n ASP 174 N 6.14 2.03 -4.86 4.32 5.75 -1.26 -5.00 116.55 123.68 3bwk n ASP 174 Ca 0.13 -2.66 -0.29 0.00 -0.01 0.00 0.00 54.79 51.97 3bwk n ASP 174 Cb 0.45 -0.28 0.09 0.00 -1.03 0.00 0.00 41.12 40.35 3bwk n ASP 174 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bwk s GLY 175 N -2.15 1.61 0.80 6.12 0.00 -1.26 -5.07 107.32 107.36 3bwk s GLY 175 Ca 0.20 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 3bwk s GLY 175 CO 0.02 -0.21 1.09 -0.54 0.00 0.00 0.00 173.10 173.46 3bwk s GLU 176 N -5.57 2.10 0.31 2.90 2.02 -1.26 -5.04 118.70 114.16 3bwk s GLU 176 Ca 0.63 0.68 0.08 0.00 0.02 0.00 0.00 54.97 56.37 3bwk s GLU 176 Cb -0.11 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 3bwk s GLU 176 CO 0.49 -1.62 0.22 0.00 0.02 0.00 0.00 175.26 174.37 3bwk s GLY 178 N -3.91 1.61 -0.01 0.00 0.00 -0.53 -4.71 107.32 99.77 3bwk s GLY 178 Ca 0.37 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.33 3bwk s GLY 178 CO 0.25 -0.18 0.53 0.00 0.00 0.00 0.00 173.10 173.70 3bwk h ALA 179 N -1.12 -0.50 -2.54 3.20 0.00 -1.88 -3.46 119.26 112.96 3bwk h ALA 179 Ca -0.46 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 53.84 3bwk h ALA 179 Cb 1.32 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 3bwk h ALA 179 CO 0.63 -0.48 -0.60 0.00 0.00 0.00 0.00 179.25 178.80 3bwk s ALA 180 N -3.39 3.38 0.24 0.00 0.00 -1.26 -4.97 121.76 115.76 3bwk s ALA 180 Ca -0.03 -1.40 -0.31 0.00 0.00 0.00 0.00 51.96 50.22 3bwk s ALA 180 Cb 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 23.12 21.88 3bwk s ALA 180 CO 0.10 0.39 1.67 -2.30 0.00 0.00 0.00 175.76 175.62 3bwk n PRO 181 N -0.58 2.73 0.00 0.00 -0.02 -1.26 -4.45 135.00 131.42 3bwk n PRO 181 Ca -0.08 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3bwk n PRO 181 Cb 0.56 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 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 3.20 0.00 -3.64 2.55 0.23 -0.59 -4.93 115.26 112.09 3bwk n ASN 182 Ca 0.13 -1.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.08 3bwk n ASN 182 Cb 0.35 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.01 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 0.00 -0.21 -0.03 -2.53 5.04 -1.05 -4.93 115.29 111.57 3bwk s HIS 183 Ca 0.00 -0.10 0.01 0.00 -1.54 0.00 0.00 55.06 53.43 3bwk s HIS 183 Cb 0.00 0.34 0.03 0.00 0.04 0.00 0.00 32.58 32.99 3bwk s HIS 183 CO 0.00 -0.79 -0.01 0.00 -2.34 0.00 0.00 174.74 171.60 3bwk s ALA 184 N -3.82 0.40 0.01 1.58 0.00 -1.26 -1.15 121.76 117.51 3bwk s ALA 184 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3bwk s ALA 184 Cb 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 3bwk s ALA 184 CO -0.09 -0.05 0.01 1.33 0.00 0.00 0.00 175.76 176.96 3bwk n VAL 185 N 4.10 0.00 -4.41 0.00 0.24 -0.17 -4.55 118.33 113.54 3bwk n VAL 185 Ca -0.27 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 61.76 3bwk n VAL 185 Cb 0.50 0.03 -0.16 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.04 0.84 -0.16 1.34 1.01 -0.96 -1.57 121.20 119.66 3bwk s ILE 186 Ca 0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.09 3bwk s ILE 186 Cb 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3bwk s ILE 186 CO 0.01 0.27 0.64 -0.76 0.00 0.00 0.00 174.94 175.10 3bwk s LEU 187 N 0.43 4.20 0.00 2.97 1.43 0.19 -0.11 118.68 127.79 3bwk s LEU 187 Ca -0.07 0.93 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 3bwk s LEU 187 Cb -0.11 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.18 3bwk s LEU 187 CO 0.01 -0.21 0.46 1.33 0.23 0.00 0.00 176.35 178.17 3bwk n VAL 188 N 4.37 0.00 -1.87 -1.59 0.24 -0.25 -1.59 118.33 117.64 3bwk n VAL 188 Ca -0.02 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3bwk n VAL 188 Cb 0.50 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 0.43 -1.47 3.22 7.63 0.00 -1.22 -1.72 105.19 112.05 3bwk n GLY 189 Ca 0.01 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.56 0.31 0.24 1.61 -0.85 0.98 -1.18 117.35 115.89 3bwk s TYR 190 Ca 0.00 -0.74 -0.08 0.00 -0.52 0.00 0.00 57.07 55.73 3bwk s TYR 190 Cb 0.00 -0.13 0.03 0.00 0.38 0.00 0.00 41.96 42.24 3bwk s TYR 190 CO 0.00 -0.56 0.47 0.41 -1.52 0.00 0.00 175.55 174.35 3bwk n GLY 191 N -0.08 1.44 3.17 5.49 0.00 -0.45 -1.03 105.19 113.74 3bwk n GLY 191 Ca -0.12 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.08 0.30 0.16 1.61 1.75 -1.23 -1.40 119.30 118.41 3bwk s MET 192 Ca 0.10 0.72 0.05 0.00 -1.25 0.00 0.00 55.69 55.31 3bwk s MET 192 Cb -0.03 -0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.57 3bwk s MET 192 CO 0.07 -0.18 -0.11 -1.59 -0.65 0.00 0.00 175.02 172.56 3bwk s LYS 193 N 1.55 1.11 -0.17 4.11 -2.85 -0.62 -4.95 119.74 117.93 3bwk s LYS 193 Ca -0.08 -1.47 -0.29 0.00 -1.00 0.00 0.00 55.97 53.13 3bwk s LYS 193 Cb -0.10 -0.73 -0.00 0.00 -2.06 0.00 0.00 37.83 34.94 3bwk s LYS 193 CO -0.11 0.10 1.03 -0.51 0.10 0.00 0.00 175.35 175.97 3bwk s ASP 194 N -3.16 7.16 -0.05 0.03 1.01 -1.26 -0.61 116.67 119.80 3bwk s ASP 194 Ca 0.17 1.47 0.02 0.00 0.71 0.00 0.00 52.55 54.93 3bwk s ASP 194 Cb 0.01 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3bwk s ASP 194 CO 0.02 -0.57 -0.10 -0.63 0.21 0.00 0.00 175.17 174.10 3bwk s ILE 195 N 2.63 0.90 0.20 0.77 1.01 -0.66 -4.93 121.20 121.12 3bwk s ILE 195 Ca 0.47 -0.38 -0.32 0.00 0.00 0.00 0.00 60.65 60.42 3bwk s ILE 195 Cb -0.17 -0.83 -0.12 0.00 0.01 0.00 0.00 42.46 41.35 3bwk s ILE 195 CO 0.12 0.29 1.72 -0.47 0.00 0.00 0.00 174.94 176.61 3bwk s TYR 196 N 0.52 2.83 -0.25 3.97 5.04 -1.26 -1.79 117.35 126.41 3bwk s TYR 196 Ca -0.10 0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.79 3bwk s TYR 196 Cb -0.13 -4.13 -0.01 0.00 0.35 0.00 0.00 41.96 38.04 3bwk s TYR 196 CO 0.02 -4.32 0.04 1.21 -1.34 0.00 0.00 175.55 171.15 3bwk s ASN 197 N 1.34 4.88 0.19 4.32 3.84 0.47 -4.91 114.94 125.08 3bwk s ASN 197 Ca 0.75 -0.42 0.13 0.00 0.21 0.00 0.00 52.86 53.54 3bwk s ASN 197 Cb -0.49 -1.85 -0.04 0.00 -0.55 0.00 0.00 41.25 38.31 3bwk s ASN 197 CO 0.32 -0.08 1.27 -0.08 -2.79 0.00 0.00 177.10 175.74 3bwk h GLU 198 N 8.20 0.00 0.00 0.43 4.81 -1.93 0.35 114.58 126.43 3bwk h GLU 198 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3bwk h GLU 198 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3bwk h GLU 198 CO 0.59 0.58 0.00 -0.40 -0.73 0.00 0.00 179.01 179.05 3bwk n ASP 199 N -3.19 0.00 -0.00 1.04 5.68 -1.26 -3.78 116.55 115.04 3bwk n ASP 199 Ca -0.01 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 3bwk n ASP 199 Cb 0.81 -0.35 -0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3bwk n ASP 199 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3bwk n THR 200 N -1.35 0.00 -1.33 2.12 5.66 -1.04 -5.05 114.28 113.30 3bwk n THR 200 Ca 0.11 -0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 61.01 3bwk n THR 200 Cb 0.24 0.20 -0.04 0.00 -1.55 0.00 0.00 70.33 69.19 3bwk n THR 200 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3bwk n GLY 201 N 2.58 1.03 3.71 1.09 0.00 0.12 -5.00 105.19 108.72 3bwk n GLY 201 Ca -0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 3bwk n GLY 201 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bwk s ARG 202 N -2.91 1.98 0.16 1.61 1.70 -1.15 -4.98 118.95 115.36 3bwk s ARG 202 Ca 0.00 -1.39 -0.31 0.00 -0.47 0.00 0.00 55.73 53.56 3bwk s ARG 202 Cb 0.00 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 3bwk s ARG 202 CO 0.00 -0.89 1.39 1.41 -1.08 0.00 0.00 175.30 176.13 3bwk s MET 203 N -3.04 4.32 0.10 3.89 1.75 -1.26 -0.39 119.30 124.67 3bwk s MET 203 Ca 0.19 2.13 0.05 0.00 -1.25 0.00 0.00 55.69 56.81 3bwk s MET 203 Cb -0.04 -3.20 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 3bwk s MET 203 CO 0.12 -0.40 -0.13 -1.21 -0.65 0.00 0.00 175.02 172.75 3bwk s GLU 204 N 0.54 0.93 0.22 4.11 0.41 -0.74 -4.88 118.70 119.29 3bwk s GLU 204 Ca 0.62 -1.14 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 3bwk s GLU 204 Cb -0.38 -0.83 -0.10 0.00 -1.78 0.00 0.00 34.13 31.04 3bwk s GLU 204 CO 0.34 0.16 1.49 0.15 -0.49 0.00 0.00 175.26 176.91 3bwk s LYS 205 N -2.41 4.24 -0.23 1.61 1.02 -1.26 -1.65 119.74 121.06 3bwk s LYS 205 Ca 0.05 2.33 0.01 0.00 0.02 0.00 0.00 55.97 58.38 3bwk s LYS 205 Cb -0.06 -3.12 0.06 0.00 -0.52 0.00 0.00 37.83 34.19 3bwk s LYS 205 CO 0.02 -0.49 -0.06 0.12 -0.92 0.00 0.00 175.35 174.03 3bwk s PHE 206 N 0.37 2.43 0.07 3.18 5.36 0.22 -4.90 117.98 124.70 3bwk s PHE 206 Ca 0.63 -1.77 -0.11 0.00 -0.96 0.00 0.00 56.93 54.71 3bwk s PHE 206 Cb -0.43 -1.59 -0.06 0.00 -0.34 0.00 0.00 43.02 40.60 3bwk s PHE 206 CO 0.40 -0.78 0.41 0.71 -1.46 0.00 0.00 175.22 174.50 3bwk s TYR 207 N 1.38 3.61 0.05 10.12 1.51 -1.26 -1.58 117.35 131.19 3bwk s TYR 207 Ca -0.06 0.85 -0.12 0.00 -1.01 0.00 0.00 57.07 56.72 3bwk s TYR 207 Cb -0.19 -2.20 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 3bwk s TYR 207 CO -0.06 0.54 0.27 1.52 -1.11 0.00 0.00 175.55 176.71 3bwk s TYR 208 N -1.33 -0.04 0.09 2.71 -0.85 -0.50 -0.58 117.35 116.85 3bwk s TYR 208 Ca 0.31 -0.16 -0.03 0.00 -0.52 0.00 0.00 57.07 56.67 3bwk s TYR 208 Cb -0.15 0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 3bwk s TYR 208 CO 0.17 -0.51 0.29 0.71 -1.52 0.00 0.00 175.55 174.69 3bwk s TYR 209 N -2.82 3.50 -0.25 -3.49 1.51 0.52 -1.34 117.35 114.98 3bwk s TYR 209 Ca -0.03 0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 56.37 3bwk s TYR 209 Cb 0.00 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 3bwk s TYR 209 CO -0.05 0.52 0.09 0.42 -1.11 0.00 0.00 175.55 175.42 3bwk s ILE 210 N -1.56 4.54 -0.17 2.71 1.01 -0.33 -0.67 121.20 126.73 3bwk s ILE 210 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 3bwk s ILE 210 Cb -0.13 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 3bwk s ILE 210 CO 0.25 0.33 -0.08 -0.63 0.00 0.00 0.00 174.94 174.82 3bwk s ILE 211 N 1.52 3.38 -0.29 2.92 1.09 -0.39 -1.08 121.20 128.35 3bwk s ILE 211 Ca 0.06 -0.52 -0.19 0.00 -1.10 0.00 0.00 60.65 58.90 3bwk s ILE 211 Cb -0.15 -2.48 -0.02 0.00 -1.06 0.00 0.00 42.46 38.75 3bwk s ILE 211 CO 0.05 0.48 0.57 -0.75 -0.10 0.00 0.00 174.94 175.19 3bwk s LYS 212 N 0.74 3.95 0.53 2.79 2.20 0.85 -1.72 119.74 129.08 3bwk s LYS 212 Ca -0.03 0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.90 3bwk s LYS 212 Cb -0.15 -3.70 0.05 0.00 -1.51 0.00 0.00 37.83 32.52 3bwk s LYS 212 CO 0.02 -0.48 0.73 1.21 -0.36 0.00 0.00 175.35 176.47 3bwk s ASN 213 N 1.60 5.27 -0.31 1.43 2.47 -0.57 -2.27 114.94 122.56 3bwk s ASN 213 Ca 0.23 -0.33 0.09 0.00 0.42 0.00 0.00 52.86 53.27 3bwk s ASN 213 Cb -0.15 -0.51 0.46 0.00 -1.45 0.00 0.00 41.25 39.59 3bwk s ASN 213 CO 0.11 -1.13 1.16 -1.54 -3.72 0.00 0.00 177.10 171.98 3bwk n SER 214 N -2.22 4.45 -0.97 -4.21 3.41 -1.26 -4.56 113.62 108.26 3bwk n SER 214 Ca 0.10 -3.54 -0.01 0.00 -0.26 0.00 0.00 58.87 55.16 3bwk n SER 214 Cb 0.60 -0.38 0.20 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.64 0.69 0.00 7.33 8.01 -1.20 -0.77 117.44 130.87 3bwk n TRP 215 Ca 0.38 -1.59 0.00 0.00 -1.31 0.00 0.00 57.50 54.99 3bwk n TRP 215 Cb 0.90 -0.40 0.00 0.00 -2.01 0.00 0.00 31.31 29.79 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 -1.12 -1.39 0.01 6.99 0.00 -0.26 -4.15 105.19 105.26 3bwk n GLY 216 Ca 0.28 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.87 3bwk n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bwk n SER 217 N -1.65 0.03 -0.18 1.61 3.41 -1.26 -2.56 113.62 113.02 3bwk n SER 217 Ca 0.00 -0.12 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 3bwk n SER 217 Cb 0.00 -0.29 0.53 0.00 -0.26 0.00 0.00 64.21 64.19 3bwk n SER 217 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3bwk n ASP 218 N -1.29 0.55 -4.89 4.04 9.92 -1.26 -3.18 116.55 120.44 3bwk n ASP 218 Ca 0.14 -1.48 -0.34 0.00 -0.53 0.00 0.00 54.79 52.58 3bwk n ASP 218 Cb 0.25 -0.03 -0.05 0.00 -0.64 0.00 0.00 41.12 40.65 3bwk n ASP 218 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 3bwk s TRP 219 N -1.94 3.56 0.00 1.24 -0.00 -1.06 -4.96 118.94 115.79 3bwk s TRP 219 Ca 0.31 0.46 0.00 0.00 -0.00 0.00 0.00 56.10 56.87 3bwk s TRP 219 Cb 0.15 -1.91 0.00 0.00 -0.00 0.00 0.00 33.47 31.71 3bwk s TRP 219 CO 0.24 0.63 0.00 0.41 -0.00 0.00 0.00 176.95 178.24 3bwk n GLY 220 N 1.07 3.01 3.15 5.86 0.00 -0.48 -0.75 105.19 117.05 3bwk n GLY 220 Ca -0.11 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 3.21 -1.28 1.61 2.02 0.41 -3.93 118.70 120.74 3bwk s GLU 221 Ca 0.00 -3.00 0.00 0.00 0.02 0.00 0.00 54.97 51.99 3bwk s GLU 221 Cb 0.00 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.23 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 2.83 1.14 0.04 -1.39 0.00 -1.24 -2.54 105.19 104.04 3bwk n GLY 222 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.40 0.49 3.67 -0.02 0.00 0.08 -4.58 105.19 103.43 3bwk n GLY 223 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.03 2.64 -0.06 1.61 1.51 -1.05 -1.51 117.35 118.45 3bwk s TYR 224 Ca 0.00 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.64 3bwk s TYR 224 Cb 0.00 -1.46 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3bwk s TYR 224 CO 0.00 0.47 0.18 -1.50 -1.11 0.00 0.00 175.55 173.59 3bwk s ILE 225 N -2.43 0.01 -0.19 2.71 2.07 -0.70 -0.44 121.20 122.21 3bwk s ILE 225 Ca 0.35 -0.05 -0.18 0.00 -1.41 0.00 0.00 60.65 59.36 3bwk s ILE 225 Cb -0.03 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 3bwk s ILE 225 CO 0.21 -0.03 0.48 0.20 -1.91 0.00 0.00 174.94 173.89 3bwk s ASN 226 N -0.02 6.54 -0.04 4.50 0.02 -1.26 -1.26 114.94 123.41 3bwk s ASN 226 Ca -0.01 0.64 0.06 0.00 -1.02 0.00 0.00 52.86 52.53 3bwk s ASN 226 Cb -0.02 -2.27 -0.02 0.00 0.02 0.00 0.00 41.25 38.96 3bwk s ASN 226 CO 0.00 -0.13 -0.20 -0.76 0.02 0.00 0.00 177.10 176.03 3bwk s LEU 227 N 1.44 2.37 0.22 0.60 1.43 0.15 -4.65 118.68 120.24 3bwk s LEU 227 Ca 0.23 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 3bwk s LEU 227 Cb -0.15 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.53 3bwk s LEU 227 CO 0.09 0.32 1.39 -0.70 0.23 0.00 0.00 176.35 177.68 3bwk s GLU 228 N -0.59 4.32 0.00 1.70 2.12 -1.26 -0.35 118.70 124.63 3bwk s GLU 228 Ca 0.09 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.61 3bwk s GLU 228 Cb -0.11 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3bwk s GLU 228 CO 0.00 -0.36 0.00 -2.37 -0.54 0.00 0.00 175.26 172.00 3bwk n THR 229 N 2.58 0.00 -4.49 -1.70 5.66 0.25 -3.72 114.28 112.87 3bwk n THR 229 Ca 0.07 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.82 3bwk n THR 229 Cb 0.41 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.13 3bwk n THR 229 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3bwk n ASP 230 N 0.00 1.37 -0.23 1.09 3.85 -1.26 -4.35 116.55 117.01 3bwk n ASP 230 Ca 0.00 -3.06 -0.06 0.00 -0.71 0.00 0.00 54.79 50.95 3bwk n ASP 230 Cb 0.00 0.93 0.04 0.00 -1.35 0.00 0.00 41.12 40.74 3bwk n ASP 230 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3bwk h GLU 231 N 0.00 0.90 0.00 0.11 4.81 -1.95 -1.79 114.58 116.67 3bwk h GLU 231 Ca -0.31 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 3bwk h GLU 231 Cb 1.16 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3bwk h GLU 231 CO 0.49 0.70 -0.29 -0.91 -0.73 0.00 0.00 179.01 178.28 3bwk h ASN 232 N 0.87 0.00 0.00 1.04 2.35 -1.97 -3.46 115.58 114.41 3bwk h ASN 232 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3bwk h ASN 232 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3bwk h ASN 232 CO -0.03 0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 3bwk n GLY 233 N -0.62 0.67 0.07 2.83 0.00 -0.67 -4.79 105.19 102.67 3bwk n GLY 233 Ca -0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -3.24 1.61 0.99 -1.82 -3.44 116.97 111.08 3bwk h TYR 234 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 3bwk h TYR 234 Cb 0.00 0.00 0.04 0.00 1.00 0.00 0.00 36.73 37.77 3bwk h TYR 234 CO 0.00 0.97 0.73 0.21 -0.00 0.00 0.00 178.16 180.07 3bwk s LYS 235 N -2.71 4.31 -0.15 4.88 2.20 -1.26 -4.94 119.74 122.07 3bwk s LYS 235 Ca 0.00 2.18 -0.02 0.00 -0.36 0.00 0.00 55.97 57.77 3bwk s LYS 235 Cb 0.10 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 3bwk s LYS 235 CO 0.82 -0.39 -0.08 0.15 -0.36 0.00 0.00 175.35 175.49 3bwk s LYS 236 N 0.19 3.52 -0.13 4.03 1.02 -1.26 -4.47 119.74 122.63 3bwk s LYS 236 Ca 0.61 -0.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.95 3bwk s LYS 236 Cb -0.39 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 3bwk s LYS 236 CO 0.37 0.18 0.03 0.99 -0.92 0.00 0.00 175.35 176.00 3bwk s THR 237 N 0.49 4.50 -1.42 2.17 2.01 -1.24 -4.46 115.64 117.69 3bwk s THR 237 Ca -0.06 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 3bwk s THR 237 Cb -0.15 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.45 3bwk s THR 237 CO 0.03 0.54 0.63 0.00 -0.69 0.00 0.00 174.62 175.14 3bwk n SER 239 N -2.48 -5.71 -4.69 0.00 7.64 -1.26 -0.65 113.62 106.48 3bwk n SER 239 Ca -0.04 0.06 -0.44 0.00 1.01 0.00 0.00 58.87 59.46 3bwk n SER 239 Cb 0.56 -4.79 -0.03 0.00 -1.01 0.00 0.00 64.21 58.95 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 -3.77 0.81 -1.09 0.44 -5.35 -1.07 -2.60 119.36 106.73 3bwk n ILE 240 Ca -0.24 -0.20 -0.03 0.00 -0.27 0.00 0.00 62.75 62.01 3bwk n ILE 240 Cb 0.68 -1.60 -0.01 0.00 -1.74 0.00 0.00 39.64 36.96 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 2.38 0.58 0.31 3.28 0.00 -0.73 -4.88 105.19 106.12 3bwk n GLY 241 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.17 -3.15 2.61 2.02 -1.72 -3.29 112.91 109.54 3bwk h THR 242 Ca -0.07 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.49 3bwk h THR 242 Cb 0.46 0.17 -0.13 0.00 -1.74 0.00 0.00 68.15 66.91 3bwk h THR 242 CO 0.10 0.00 -0.52 -1.61 0.37 0.00 0.00 175.52 173.85 3bwk s GLU 243 N -6.22 3.86 -0.24 6.66 0.41 -1.26 -5.02 118.70 116.89 3bwk s GLU 243 Ca -0.15 -0.26 -0.10 0.00 -0.41 0.00 0.00 54.97 54.06 3bwk s GLU 243 Cb 0.23 -3.25 0.10 0.00 -1.78 0.00 0.00 34.13 29.43 3bwk s GLU 243 CO 0.75 0.43 0.53 0.00 -0.49 0.00 0.00 175.26 176.48 3bwk s ALA 244 N -0.04 -1.51 -0.08 5.21 0.00 -1.24 -1.79 121.76 122.31 3bwk s ALA 244 Ca 0.08 1.90 -0.10 0.00 0.00 0.00 0.00 51.96 53.84 3bwk s ALA 244 Cb -0.12 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.61 3bwk s ALA 244 CO 0.00 -0.68 0.26 0.71 0.00 0.00 0.00 175.76 176.06 3bwk s TYR 245 N 2.36 -0.24 -0.12 0.00 1.51 -0.24 -0.89 117.35 119.73 3bwk s TYR 245 Ca -0.05 0.55 0.00 0.00 -1.01 0.00 0.00 57.07 56.56 3bwk s TYR 245 Cb -0.10 0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 3bwk s TYR 245 CO -0.16 -0.20 -0.14 0.08 -1.11 0.00 0.00 175.55 174.03 3bwk s VAL 246 N -0.27 3.01 0.41 0.71 1.01 -0.50 -0.94 120.40 123.83 3bwk s VAL 246 Ca -0.04 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 3bwk s VAL 246 Cb -0.03 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 3bwk s VAL 246 CO 0.01 0.53 0.98 -2.16 0.00 0.00 0.00 175.10 174.46 3bwk s PRO 247 N 0.22 4.23 0.00 2.72 0.04 -1.26 -1.25 135.00 139.70 3bwk s PRO 247 Ca -0.09 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.26 3bwk s PRO 247 Cb -0.15 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 3bwk s PRO 247 CO 0.05 -0.04 -0.15 -0.51 0.04 0.00 0.00 177.00 176.39 3bwk s LEU 248 N -2.92 2.07 0.00 -3.56 1.43 0.29 -4.93 118.68 111.06 3bwk s LEU 248 Ca 0.60 -0.33 0.23 0.00 -1.03 0.00 0.00 54.13 53.60 3bwk s LEU 248 Cb -0.14 -0.76 0.18 0.00 0.03 0.00 0.00 46.19 45.50 3bwk s LEU 248 CO 0.18 0.16 1.22 0.18 0.23 0.00 0.00 176.35 178.32