#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwy h ASP 2 N 0.00 -0.15 -0.10 6.55 5.19 -2.00 0.90 116.42 126.81 1bwy h ASP 2 Ca 0.00 0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1bwy h ASP 2 Cb 0.00 0.34 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 1bwy h ASP 2 CO 0.00 -0.24 0.33 0.00 -3.12 0.00 0.00 179.24 176.21 1bwy h ALA 3 N 1.85 1.51 0.00 3.45 0.00 -1.98 -1.52 119.26 122.56 1bwy h ALA 3 Ca 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1bwy h ALA 3 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bwy h ALA 3 CO -0.74 -0.38 -0.00 1.19 0.00 0.00 0.00 179.25 179.32 1bwy n PHE 4 N -3.13 0.00 -3.30 0.00 3.72 0.31 -4.67 117.46 110.38 1bwy n PHE 4 Ca 0.00 -0.87 -0.46 0.00 -0.05 0.00 0.00 57.45 56.06 1bwy n PHE 4 Cb 0.41 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1bwy n PHE 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bwy s VAL 5 N -2.41 5.41 -2.91 -4.37 1.01 -0.58 -3.79 120.40 112.76 1bwy s VAL 5 Ca 0.24 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1bwy s VAL 5 Cb 0.21 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1bwy s VAL 5 CO 0.02 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 174.75 1bwy n GLY 6 N 4.54 0.72 3.79 4.51 0.00 0.48 -4.88 105.19 114.37 1bwy n GLY 6 Ca 0.03 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 1bwy n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s THR 7 N -1.40 4.41 0.00 2.61 2.01 0.19 -0.92 115.64 122.53 1bwy s THR 7 Ca 0.00 1.56 0.03 0.00 0.31 0.00 0.00 61.69 63.59 1bwy s THR 7 Cb 0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 1bwy s THR 7 CO 0.00 0.29 -0.09 0.26 -0.69 0.00 0.00 174.62 174.39 1bwy s TRP 8 N -1.43 0.81 -0.09 4.92 0.52 0.40 -0.44 118.94 123.64 1bwy s TRP 8 Ca 0.43 -0.19 -0.17 0.00 0.02 0.00 0.00 56.10 56.18 1bwy s TRP 8 Cb -0.19 -0.51 -0.05 0.00 -1.15 0.00 0.00 33.47 31.57 1bwy s TRP 8 CO 0.23 -0.01 0.44 -1.59 0.02 0.00 0.00 176.95 176.04 1bwy s LYS 9 N -0.41 4.21 0.45 4.98 0.00 0.38 -0.75 119.74 128.60 1bwy s LYS 9 Ca 0.02 0.40 -0.24 0.00 0.00 0.00 0.00 55.97 56.15 1bwy s LYS 9 Cb -0.04 -3.37 -0.08 0.00 0.00 0.00 0.00 37.83 34.34 1bwy s LYS 9 CO -0.00 0.33 1.27 -1.17 0.00 0.00 0.00 175.35 175.77 1bwy s LEU 10 N 0.09 4.08 0.13 2.77 0.20 -1.20 -0.57 118.68 124.18 1bwy s LEU 10 Ca 0.24 2.56 0.00 0.00 0.69 0.00 0.00 54.13 57.62 1bwy s LEU 10 Cb -0.15 -4.08 0.00 0.00 -0.43 0.00 0.00 46.19 41.52 1bwy s LEU 10 CO 0.11 -1.01 0.00 0.55 -0.29 0.00 0.00 176.35 175.71 1bwy n VAL 11 N -0.29 0.65 -1.81 1.68 3.14 0.26 -4.82 118.33 117.15 1bwy n VAL 11 Ca 0.06 0.21 -0.31 0.00 -2.96 0.00 0.00 64.34 61.35 1bwy n VAL 11 Cb 0.45 -1.23 0.02 0.00 -1.06 0.00 0.00 33.84 32.02 1bwy n VAL 11 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bwy s ASP 12 N -5.52 6.04 -0.37 6.55 2.15 -1.19 -4.89 116.67 119.44 1bwy s ASP 12 Ca 0.00 1.46 0.05 0.00 0.43 0.00 0.00 52.55 54.48 1bwy s ASP 12 Cb 0.00 -2.47 0.28 0.00 -0.30 0.00 0.00 42.92 40.43 1bwy s ASP 12 CO 0.00 -1.00 1.26 -0.24 -0.17 0.00 0.00 175.17 175.02 1bwy n SER 13 N -2.83 -1.58 -4.69 -0.34 2.88 -1.23 -3.49 113.62 102.34 1bwy n SER 13 Ca 0.06 -2.36 -0.40 0.00 -1.33 0.00 0.00 58.87 54.84 1bwy n SER 13 Cb 0.54 1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 65.26 1bwy n SER 13 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bwy s LYS 14 N 0.12 4.35 -1.23 -1.46 2.47 0.41 -3.66 119.74 120.73 1bwy s LYS 14 Ca 0.18 0.79 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 1bwy s LYS 14 Cb 0.26 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 1bwy s LYS 14 CO -0.11 -0.07 0.00 0.09 0.16 0.00 0.00 175.35 175.41 1bwy n ASN 15 N 4.35 -4.32 -0.08 1.43 3.02 -1.26 -1.16 115.26 117.24 1bwy n ASN 15 Ca -0.01 0.06 -0.16 0.00 -0.03 0.00 0.00 54.58 54.45 1bwy n ASN 15 Cb 0.50 -3.39 -0.11 0.00 -0.61 0.00 0.00 39.78 36.17 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1bwy h PHE 16 N 0.00 0.00 0.00 3.10 3.04 -1.86 -2.41 116.94 118.81 1bwy h PHE 16 Ca -0.32 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1bwy h PHE 16 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 1bwy h PHE 16 CO 0.37 1.07 0.00 -0.40 -2.02 0.00 0.00 178.31 177.32 1bwy n ASP 17 N -4.55 0.00 -0.35 0.41 5.75 -1.26 -1.66 116.55 114.89 1bwy n ASP 17 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.54 1bwy n ASP 17 Cb 0.51 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.57 1bwy n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1bwy n ASP 18 N -0.80 -0.75 -0.14 -1.12 2.03 -1.20 -2.67 116.55 111.90 1bwy n ASP 18 Ca 0.00 1.51 -0.04 0.00 0.52 0.00 0.00 54.79 56.78 1bwy n ASP 18 Cb 0.00 -0.26 0.02 0.00 -0.72 0.00 0.00 41.12 40.16 1bwy n ASP 18 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bwy h TYR 19 N 0.00 -0.26 -0.41 -0.67 3.20 -0.79 0.15 116.97 118.18 1bwy h TYR 19 Ca 0.21 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 1bwy h TYR 19 Cb 0.42 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1bwy h TYR 19 CO -0.83 -0.20 -0.26 0.00 -1.64 0.00 0.00 178.16 175.23 1bwy h MET 20 N -0.01 0.87 -2.14 1.82 -0.00 -1.43 0.78 114.93 114.82 1bwy h MET 20 Ca 0.21 -0.39 -0.15 0.00 -0.00 0.00 0.00 59.70 59.37 1bwy h MET 20 Cb 0.34 -0.02 -0.06 0.00 -0.00 0.00 0.00 31.60 31.86 1bwy h MET 20 CO -0.47 1.03 -0.25 1.17 -0.00 0.00 0.00 176.91 178.40 1bwy n LYS 21 N -4.09 1.67 0.01 -0.10 0.00 0.50 -1.76 118.16 114.38 1bwy n LYS 21 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 58.31 57.49 1bwy n LYS 21 Cb 0.47 -1.89 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1bwy n LYS 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1bwy n SER 22 N 2.52 -0.14 -0.20 3.14 2.88 -1.18 -4.88 113.62 115.76 1bwy n SER 22 Ca 0.35 0.31 -0.08 0.00 -1.33 0.00 0.00 58.87 58.12 1bwy n SER 22 Cb 0.77 0.42 0.02 0.00 -0.75 0.00 0.00 64.21 64.67 1bwy n SER 22 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bwy h LEU 23 N 0.00 0.88 0.00 2.46 3.38 -0.58 -3.48 115.31 117.97 1bwy h LEU 23 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1bwy h LEU 23 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1bwy h LEU 23 CO 0.00 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1bwy n GLY 24 N -0.62 3.63 1.69 0.83 0.00 -0.72 -5.02 105.19 104.98 1bwy n GLY 24 Ca 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1bwy n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bwy n VAL 25 N 0.00 1.97 -3.59 1.61 3.14 -1.22 -4.89 118.33 115.35 1bwy n VAL 25 Ca 0.00 -0.66 -0.34 0.00 -2.96 0.00 0.00 64.34 60.38 1bwy n VAL 25 Cb 0.00 -1.56 -0.05 0.00 -1.06 0.00 0.00 33.84 31.16 1bwy n VAL 25 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1bwy s GLY 26 N 2.03 2.32 -0.19 7.55 0.00 -1.17 -4.78 107.32 113.07 1bwy s GLY 26 Ca 0.15 -0.41 -0.35 0.00 0.00 0.00 0.00 44.72 44.11 1bwy s GLY 26 CO 0.00 -0.21 1.30 -0.11 0.00 0.00 0.00 173.10 174.08 1bwy s PHE 27 N -1.45 -0.07 0.20 1.90 -0.12 -1.26 -4.96 117.98 112.22 1bwy s PHE 27 Ca 0.35 0.03 0.35 0.00 -0.05 0.00 0.00 56.93 57.61 1bwy s PHE 27 Cb -0.13 0.51 1.69 0.00 -0.63 0.00 0.00 43.02 44.46 1bwy s PHE 27 CO 0.19 -0.14 2.06 0.00 -0.05 0.00 0.00 175.22 177.28 1bwy h ALA 28 N 2.00 1.00 -1.00 1.99 0.00 -2.00 -3.35 119.26 117.90 1bwy h ALA 28 Ca -0.12 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.05 1bwy h ALA 28 Cb 1.16 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1bwy h ALA 28 CO 0.23 0.00 0.59 0.00 0.00 0.00 0.00 179.25 180.07 1bwy h THR 29 N 0.00 0.50 -0.47 0.00 1.03 -1.99 0.07 112.91 112.04 1bwy h THR 29 Ca 0.00 -0.19 0.10 0.00 -0.01 0.00 0.00 66.41 66.32 1bwy h THR 29 Cb 0.25 -0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.22 1bwy h THR 29 CO 0.00 0.10 0.32 -0.09 -0.01 0.00 0.00 175.52 175.84 1bwy h ARG 30 N 0.54 0.17 0.00 0.00 1.12 -1.97 0.14 114.38 114.38 1bwy h ARG 30 Ca 0.66 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.51 1bwy h ARG 30 Cb 1.30 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1bwy h ARG 30 CO -0.50 0.11 -0.05 1.96 -3.11 0.00 0.00 179.97 178.38 1bwy h GLN 31 N 0.17 0.00 0.02 0.20 1.08 -1.29 0.89 115.11 116.19 1bwy h GLN 31 Ca 0.22 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.13 1bwy h GLN 31 Cb 0.64 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 1bwy h GLN 31 CO -0.03 0.05 -1.55 0.28 -0.95 0.00 0.00 178.83 176.63 1bwy n VAL 32 N -3.60 1.58 -0.29 -0.54 0.31 -0.04 -4.38 118.33 111.37 1bwy n VAL 32 Ca -0.02 -0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.01 1bwy n VAL 32 Cb 0.15 -1.96 -0.07 0.00 -0.91 0.00 0.00 33.84 31.05 1bwy n VAL 32 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1bwy h GLY 33 N -0.55 -0.73 0.57 2.92 0.00 0.14 0.75 103.07 106.17 1bwy h GLY 33 Ca -0.40 0.70 0.09 0.00 0.00 0.00 0.00 47.33 47.72 1bwy h GLY 33 CO -0.17 -0.07 0.51 3.45 0.00 0.00 0.00 176.54 180.26 1bwy h ASN 34 N -0.17 0.75 1.07 0.19 7.08 -1.12 -0.48 115.58 122.90 1bwy h ASN 34 Ca 0.15 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.41 1bwy h ASN 34 Cb 0.52 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 36.65 1bwy h ASN 34 CO -0.79 0.44 0.00 -0.03 -2.08 0.00 0.00 177.43 174.97 1bwy h MET 35 N 0.86 0.00 0.00 4.14 4.05 -1.27 -3.43 114.93 119.28 1bwy h MET 35 Ca 0.40 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 1bwy h MET 35 Cb 0.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1bwy h MET 35 CO -0.23 0.00 0.00 2.41 0.23 0.00 0.00 176.91 179.32 1bwy n THR 36 N -2.72 0.00 -3.16 -0.77 -1.04 0.08 -5.07 114.28 101.60 1bwy n THR 36 Ca 0.02 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.83 1bwy n THR 36 Cb 0.32 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.77 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bwy n LYS 37 N 0.00 0.44 -1.86 -2.82 5.02 -1.25 -5.05 118.16 112.63 1bwy n LYS 37 Ca 0.00 -2.84 -0.22 0.00 -2.02 0.00 0.00 58.31 53.23 1bwy n LYS 37 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1bwy s PRO 38 N -0.04 1.98 0.34 1.97 0.04 -1.26 -4.76 135.00 133.27 1bwy s PRO 38 Ca 0.33 -0.63 -0.19 0.00 0.04 0.00 0.00 61.00 60.54 1bwy s PRO 38 Cb 0.08 -5.08 -0.10 0.00 0.04 0.00 0.00 34.50 29.44 1bwy s PRO 38 CO -0.15 -4.45 0.83 0.99 0.04 0.00 0.00 177.00 174.26 1bwy s THR 39 N 13.26 4.50 -0.04 1.26 2.01 -1.03 -3.23 115.64 132.36 1bwy s THR 39 Ca 0.75 1.31 -0.02 0.00 0.31 0.00 0.00 61.69 64.05 1bwy s THR 39 Cb -0.04 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1bwy s THR 39 CO 0.12 -0.11 0.07 -0.89 -0.69 0.00 0.00 174.62 173.12 1bwy s THR 40 N -1.91 -0.12 -0.02 -0.82 2.01 0.07 -0.36 115.64 114.49 1bwy s THR 40 Ca 0.54 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 1bwy s THR 40 Cb -0.12 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1bwy s THR 40 CO 0.18 0.15 1.08 -0.63 -0.69 0.00 0.00 174.62 174.71 1bwy s ILE 41 N 1.94 4.54 -0.17 1.82 1.01 0.10 -0.45 121.20 129.99 1bwy s ILE 41 Ca 0.02 1.83 0.01 0.00 0.00 0.00 0.00 60.65 62.50 1bwy s ILE 41 Cb -0.12 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1bwy s ILE 41 CO -0.03 0.08 -0.13 -0.63 0.00 0.00 0.00 174.94 174.23 1bwy s ILE 42 N 1.51 1.62 -0.08 2.92 1.01 -0.10 -0.55 121.20 127.53 1bwy s ILE 42 Ca 0.53 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1bwy s ILE 42 Cb -0.23 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1bwy s ILE 42 CO 0.25 0.34 -0.15 -0.70 0.00 0.00 0.00 174.94 174.67 1bwy s GLU 43 N 1.44 2.08 -0.81 2.79 2.12 -0.13 -0.39 118.70 125.81 1bwy s GLU 43 Ca 0.02 -0.54 -0.25 0.00 0.36 0.00 0.00 54.97 54.57 1bwy s GLU 43 Cb -0.14 -1.67 0.05 0.00 0.26 0.00 0.00 34.13 32.63 1bwy s GLU 43 CO -0.10 0.06 1.26 0.14 -0.54 0.00 0.00 175.26 176.08 1bwy s VAL 44 N 0.61 3.92 -1.33 3.70 -7.23 -1.26 -0.75 120.40 118.06 1bwy s VAL 44 Ca -0.15 -0.11 -0.15 0.00 -1.81 0.00 0.00 61.98 59.75 1bwy s VAL 44 Cb -0.16 -4.91 0.00 0.00 0.56 0.00 0.00 36.38 31.87 1bwy s VAL 44 CO 0.05 -1.80 2.18 -3.20 -0.31 0.00 0.00 175.10 172.02 1bwy n ASN 45 N 8.84 3.69 0.00 4.85 2.85 0.14 -4.81 115.26 130.82 1bwy n ASN 45 Ca 0.11 -2.80 0.00 0.00 -0.11 0.00 0.00 54.58 51.77 1bwy n ASN 45 Cb 0.49 -1.55 0.00 0.00 1.24 0.00 0.00 39.78 39.96 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bwy n GLY 46 N 4.17 0.42 0.07 8.20 0.00 -1.26 -0.88 105.19 115.92 1bwy n GLY 46 Ca 0.52 0.64 0.02 0.00 0.00 0.00 0.00 46.02 47.19 1bwy n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bwy n ASP 47 N 3.21 0.37 -4.94 1.61 5.75 -1.26 -4.97 116.55 116.32 1bwy n ASP 47 Ca 0.00 0.16 -0.19 0.00 -0.01 0.00 0.00 54.79 54.75 1bwy n ASP 47 Cb 0.00 0.96 -0.01 0.00 -1.03 0.00 0.00 41.12 41.04 1bwy n ASP 47 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1bwy s THR 48 N -3.03 3.15 0.00 2.12 2.01 -0.05 -4.71 115.64 115.14 1bwy s THR 48 Ca -0.06 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.79 1bwy s THR 48 Cb 0.10 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1bwy s THR 48 CO 0.84 -0.05 -0.04 0.54 -0.69 0.00 0.00 174.62 175.22 1bwy s VAL 49 N -2.35 0.33 -0.06 3.82 0.11 0.07 0.28 120.40 122.60 1bwy s VAL 49 Ca 0.49 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 1bwy s VAL 49 Cb -0.07 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1bwy s VAL 49 CO 0.30 0.00 -0.19 -0.51 -3.33 0.00 0.00 175.10 171.37 1bwy s ILE 50 N -0.31 1.64 -0.13 7.04 2.07 0.07 -0.54 121.20 131.04 1bwy s ILE 50 Ca -0.01 -0.81 -0.02 0.00 -1.41 0.00 0.00 60.65 58.40 1bwy s ILE 50 Cb -0.03 -1.42 -0.03 0.00 0.13 0.00 0.00 42.46 41.12 1bwy s ILE 50 CO -0.00 0.47 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.92 1bwy s ILE 51 N 0.16 3.69 -0.34 2.00 2.07 0.04 -0.95 121.20 127.87 1bwy s ILE 51 Ca -0.09 -0.44 -0.00 0.00 -1.41 0.00 0.00 60.65 58.70 1bwy s ILE 51 Cb -0.14 -2.58 0.11 0.00 0.13 0.00 0.00 42.46 39.99 1bwy s ILE 51 CO 0.04 0.52 0.15 -0.75 -1.91 0.00 0.00 174.94 173.00 1bwy s LYS 52 N 0.08 0.74 -0.01 3.50 2.20 0.29 -1.06 119.74 125.48 1bwy s LYS 52 Ca -0.02 -1.25 -0.16 0.00 -0.36 0.00 0.00 55.97 54.18 1bwy s LYS 52 Cb -0.14 -1.83 -0.06 0.00 -1.51 0.00 0.00 37.83 34.30 1bwy s LYS 52 CO 0.03 -1.07 0.43 -0.08 -0.36 0.00 0.00 175.35 174.30 1bwy s THR 53 N 1.30 5.02 -0.13 3.43 -1.32 -0.00 -0.72 115.64 123.22 1bwy s THR 53 Ca 0.13 0.89 -0.01 0.00 -1.21 0.00 0.00 61.69 61.49 1bwy s THR 53 Cb -0.20 -3.75 0.04 0.00 -1.51 0.00 0.00 72.50 67.09 1bwy s THR 53 CO -0.17 0.54 -0.02 -1.10 -2.21 0.00 0.00 174.62 171.67 1bwy s GLN 54 N -0.83 0.96 -0.04 7.08 -0.21 0.52 -1.45 119.66 125.69 1bwy s GLN 54 Ca 0.24 -0.23 -0.30 0.00 0.02 0.00 0.00 55.36 55.09 1bwy s GLN 54 Cb -0.17 -1.60 0.08 0.00 1.00 0.00 0.00 33.01 32.32 1bwy s GLN 54 CO 0.13 -0.41 0.73 -1.12 -2.12 0.00 0.00 175.29 172.50 1bwy s SER 55 N 1.82 -0.60 0.13 5.90 0.01 -1.07 -2.48 113.70 117.42 1bwy s SER 55 Ca 0.02 0.58 -0.19 0.00 1.31 0.00 0.00 55.95 57.67 1bwy s SER 55 Cb -0.14 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 1bwy s SER 55 CO -0.07 -0.60 1.72 0.71 0.41 0.00 0.00 173.24 175.41 1bwy h THR 56 N 2.80 0.85 -1.02 1.44 1.35 -1.99 -2.42 112.91 113.93 1bwy h THR 56 Ca -0.26 -0.02 0.25 0.00 -0.55 0.00 0.00 66.41 65.83 1bwy h THR 56 Cb 1.16 0.77 -0.11 0.00 -1.73 0.00 0.00 68.15 68.25 1bwy h THR 56 CO 0.37 0.01 0.64 -0.26 -0.25 0.00 0.00 175.52 176.03 1bwy h PHE 57 N 0.07 0.84 -1.37 4.73 0.04 -2.00 -3.42 116.94 115.82 1bwy h PHE 57 Ca 0.10 0.03 0.13 0.00 2.80 0.00 0.00 57.97 61.03 1bwy h PHE 57 Cb 0.13 -0.24 -0.29 0.00 2.20 0.00 0.00 35.95 37.74 1bwy h PHE 57 CO -0.18 0.07 0.59 -1.59 -0.60 0.00 0.00 178.31 176.60 1bwy s LYS 58 N -5.63 0.29 0.02 1.51 -2.85 -0.91 -5.14 119.74 107.03 1bwy s LYS 58 Ca -0.10 0.40 -0.03 0.00 -1.00 0.00 0.00 55.97 55.25 1bwy s LYS 58 Cb 0.26 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 1bwy s LYS 58 CO 0.80 -0.04 0.04 0.54 0.10 0.00 0.00 175.35 176.78 1bwy s ASN 59 N 0.55 0.18 -0.07 0.03 4.22 -1.20 -2.59 114.94 116.06 1bwy s ASN 59 Ca -0.00 -0.44 -0.24 0.00 -2.14 0.00 0.00 52.86 50.03 1bwy s ASN 59 Cb -0.04 0.15 0.05 0.00 1.28 0.00 0.00 41.25 42.69 1bwy s ASN 59 CO -0.11 -0.36 0.56 0.42 -2.04 0.00 0.00 177.10 175.56 1bwy s THR 60 N -1.70 0.02 -0.15 0.54 -4.23 -0.53 -5.00 115.64 104.60 1bwy s THR 60 Ca -0.13 -0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1bwy s THR 60 Cb -0.07 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 72.94 1bwy s THR 60 CO -0.01 -0.07 -0.08 -0.70 -0.54 0.00 0.00 174.62 173.21 1bwy s GLU 61 N -0.96 1.67 -0.01 3.99 2.12 -1.26 -0.82 118.70 123.43 1bwy s GLU 61 Ca -0.10 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 1bwy s GLU 61 Cb -0.02 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.47 1bwy s GLU 61 CO 0.07 -0.34 0.06 0.42 -0.54 0.00 0.00 175.26 174.93 1bwy s ILE 62 N 1.62 0.03 0.09 -3.70 1.09 -0.22 -5.01 121.20 115.10 1bwy s ILE 62 Ca 0.03 -0.27 0.05 0.00 -1.10 0.00 0.00 60.65 59.35 1bwy s ILE 62 Cb -0.14 -0.18 -0.04 0.00 -1.06 0.00 0.00 42.46 41.04 1bwy s ILE 62 CO -0.08 -0.15 0.01 -0.94 -0.10 0.00 0.00 174.94 173.68 1bwy s SER 63 N -0.45 5.12 0.35 3.58 1.04 -1.26 -0.78 113.70 121.30 1bwy s SER 63 Ca -0.05 -0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 1bwy s SER 63 Cb -0.03 -1.25 0.04 0.00 0.10 0.00 0.00 66.02 64.88 1bwy s SER 63 CO 0.00 0.17 0.75 0.72 0.98 0.00 0.00 173.24 175.87 1bwy s PHE 64 N -1.33 0.04 0.01 5.02 -0.71 0.30 -4.99 117.98 116.32 1bwy s PHE 64 Ca 0.26 -0.62 0.02 0.00 -1.04 0.00 0.00 56.93 55.55 1bwy s PHE 64 Cb -0.12 0.77 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 1bwy s PHE 64 CO 0.19 -1.44 -0.08 0.15 -1.34 0.00 0.00 175.22 172.70 1bwy s LYS 65 N -2.91 0.57 -0.43 1.99 1.02 -1.26 -0.75 119.74 117.96 1bwy s LYS 65 Ca 0.14 -0.45 -0.06 0.00 0.02 0.00 0.00 55.97 55.62 1bwy s LYS 65 Cb -0.05 -0.49 -0.19 0.00 -0.52 0.00 0.00 37.83 36.58 1bwy s LYS 65 CO 0.10 0.12 3.07 1.47 -0.92 0.00 0.00 175.35 179.19 1bwy n LEU 66 N 2.37 5.51 0.00 3.17 -0.00 -1.26 -3.08 117.00 123.71 1bwy n LEU 66 Ca -0.16 -3.17 0.00 0.00 -0.00 0.00 0.00 56.01 52.67 1bwy n LEU 66 Cb 0.56 -1.29 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 1bwy n LEU 66 CO 0.24 1.49 0.00 0.61 -0.00 0.00 0.00 177.39 179.73 1bwy n GLY 67 N 2.89 0.00 3.26 1.47 0.00 0.00 -3.87 105.19 108.94 1bwy n GLY 67 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 1bwy n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwy s VAL 68 N 0.00 0.06 -0.11 1.61 1.01 -0.84 -4.99 120.40 117.14 1bwy s VAL 68 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1bwy s VAL 68 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1bwy s VAL 68 CO 0.00 -0.27 0.18 -0.70 0.00 0.00 0.00 175.10 174.30 1bwy s GLU 69 N -1.62 3.58 0.05 2.72 2.12 -1.26 -1.71 118.70 122.59 1bwy s GLU 69 Ca -0.11 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.11 1bwy s GLU 69 Cb -0.04 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 1bwy s GLU 69 CO 0.03 0.71 0.04 -0.59 -0.54 0.00 0.00 175.26 174.91 1bwy s PHE 70 N -0.88 0.36 0.12 5.30 -0.71 0.25 -4.97 117.98 117.45 1bwy s PHE 70 Ca 0.15 -0.82 -0.30 0.00 -1.04 0.00 0.00 56.93 54.92 1bwy s PHE 70 Cb -0.12 -0.26 -0.06 0.00 -1.21 0.00 0.00 43.02 41.37 1bwy s PHE 70 CO 0.05 -0.40 0.99 0.34 -1.34 0.00 0.00 175.22 174.85 1bwy s ASP 71 N -2.66 7.46 0.06 1.98 -1.08 -1.26 -0.47 116.67 120.70 1bwy s ASP 71 Ca 0.03 1.83 0.03 0.00 -0.52 0.00 0.00 52.55 53.92 1bwy s ASP 71 Cb 0.04 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 1bwy s ASP 71 CO -0.09 -0.10 -0.09 -0.70 0.52 0.00 0.00 175.17 174.71 1bwy s GLU 72 N 0.00 0.67 0.15 4.34 2.12 -0.11 -4.89 118.70 120.98 1bwy s GLU 72 Ca 0.48 -0.91 -0.01 0.00 0.36 0.00 0.00 54.97 54.89 1bwy s GLU 72 Cb -0.24 -0.44 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 1bwy s GLU 72 CO 0.30 0.08 0.08 -0.08 -0.54 0.00 0.00 175.26 175.10 1bwy s THR 73 N -1.71 0.09 0.27 -1.70 -1.32 -1.26 -0.14 115.64 109.87 1bwy s THR 73 Ca -0.04 -1.94 0.05 0.00 -1.21 0.00 0.00 61.69 58.55 1bwy s THR 73 Cb -0.08 -2.20 -0.02 0.00 -1.51 0.00 0.00 72.50 68.70 1bwy s THR 73 CO 0.00 -0.31 0.18 1.07 -2.21 0.00 0.00 174.62 173.35 1bwy n THR 74 N -0.16 0.00 0.27 5.08 5.66 -1.22 -4.97 114.28 118.95 1bwy n THR 74 Ca -0.03 -1.82 0.16 0.00 -3.05 0.00 0.00 64.05 59.32 1bwy n THR 74 Cb 0.64 0.82 0.90 0.00 -1.55 0.00 0.00 70.33 71.15 1bwy n THR 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bwy h ALA 75 N 1.70 1.59 -0.51 1.79 0.00 -1.94 0.34 119.26 122.23 1bwy h ALA 75 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bwy h ALA 75 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1bwy h ALA 75 CO 0.30 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 1bwy n ASP 76 N -3.78 3.85 -4.07 0.00 5.75 -1.26 -4.92 116.55 112.12 1bwy n ASP 76 Ca -0.01 -2.36 -0.33 0.00 -0.01 0.00 0.00 54.79 52.08 1bwy n ASP 76 Cb 0.17 -0.51 -0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1bwy n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1bwy n ASP 77 N 0.82 -3.70 -4.57 -1.12 2.03 0.12 -4.91 116.55 105.22 1bwy n ASP 77 Ca 0.20 -0.91 -0.23 0.00 0.52 0.00 0.00 54.79 54.37 1bwy n ASP 77 Cb 0.73 -3.28 -0.06 0.00 -0.72 0.00 0.00 41.12 37.79 1bwy n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bwy s ARG 78 N -6.76 2.20 -0.91 -0.67 1.81 -1.24 -4.84 118.95 108.54 1bwy s ARG 78 Ca 0.65 -0.28 -0.24 0.00 -1.72 0.00 0.00 55.73 54.13 1bwy s ARG 78 Cb -0.34 -5.02 0.03 0.00 -0.45 0.00 0.00 34.95 29.16 1bwy s ARG 78 CO 0.88 -3.92 1.51 0.21 -0.68 0.00 0.00 175.30 173.30 1bwy s LYS 79 N 7.48 3.29 0.44 3.54 2.20 -1.26 -3.38 119.74 132.04 1bwy s LYS 79 Ca 0.76 -0.69 0.08 0.00 -0.36 0.00 0.00 55.97 55.75 1bwy s LYS 79 Cb -0.07 -4.99 0.00 0.00 -1.51 0.00 0.00 37.83 31.26 1bwy s LYS 79 CO 0.05 -2.40 0.48 0.14 -0.36 0.00 0.00 175.35 173.26 1bwy s VAL 80 N 6.16 2.63 -0.15 4.02 -7.23 0.81 -4.94 120.40 121.69 1bwy s VAL 80 Ca 0.48 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 59.36 1bwy s VAL 80 Cb -0.04 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1bwy s VAL 80 CO -0.01 0.00 0.12 -0.54 -0.31 0.00 0.00 175.10 174.36 1bwy s LYS 81 N -4.26 3.71 -0.12 4.82 3.01 0.09 -0.93 119.74 126.06 1bwy s LYS 81 Ca 0.50 -0.19 0.01 0.00 -1.01 0.00 0.00 55.97 55.29 1bwy s LYS 81 Cb -0.05 -3.25 0.02 0.00 -1.01 0.00 0.00 37.83 33.53 1bwy s LYS 81 CO 0.30 0.58 -0.15 -1.12 0.51 0.00 0.00 175.35 175.46 1bwy s SER 82 N -0.45 2.57 -0.14 2.83 0.01 0.38 -0.18 113.70 118.73 1bwy s SER 82 Ca 0.12 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.93 1bwy s SER 82 Cb -0.12 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1bwy s SER 82 CO 0.02 -0.00 -0.19 -0.51 0.41 0.00 0.00 173.24 172.97 1bwy s ILE 83 N 1.12 2.40 0.02 1.44 2.07 -0.02 -0.59 121.20 127.65 1bwy s ILE 83 Ca -0.03 -0.87 0.03 0.00 -1.41 0.00 0.00 60.65 58.37 1bwy s ILE 83 Cb -0.14 -1.98 -0.04 0.00 0.13 0.00 0.00 42.46 40.43 1bwy s ILE 83 CO -0.04 0.53 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.78 1bwy s VAL 84 N 0.72 3.76 0.16 4.00 1.01 -0.69 -0.62 120.40 128.74 1bwy s VAL 84 Ca -0.08 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1bwy s VAL 84 Cb -0.16 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1bwy s VAL 84 CO 0.01 0.34 0.31 -0.89 0.00 0.00 0.00 175.10 174.87 1bwy s THR 85 N -1.06 0.07 -0.28 3.92 2.01 -0.11 -0.81 115.64 119.37 1bwy s THR 85 Ca 0.19 -1.26 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 1bwy s THR 85 Cb -0.11 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.71 1bwy s THR 85 CO 0.10 -0.32 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.48 1bwy s LEU 86 N -2.94 3.57 -0.44 4.42 0.20 -1.25 -0.17 118.68 122.08 1bwy s LEU 86 Ca 0.14 -0.96 -0.15 0.00 0.69 0.00 0.00 54.13 53.85 1bwy s LEU 86 Cb 0.03 -1.73 0.04 0.00 -0.43 0.00 0.00 46.19 44.10 1bwy s LEU 86 CO -0.02 -0.19 0.35 -0.62 -0.29 0.00 0.00 176.35 175.58 1bwy s ASP 87 N 1.34 6.13 0.00 3.68 2.15 0.46 -4.87 116.67 125.56 1bwy s ASP 87 Ca -0.01 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 51.90 1bwy s ASP 87 Cb -0.18 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1bwy s ASP 87 CO -0.02 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 1bwy n GLY 88 N 5.18 0.77 0.00 2.66 0.00 -1.26 -0.42 105.19 112.11 1bwy n GLY 88 Ca -0.11 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1bwy n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwy n GLY 89 N 0.00 -0.55 3.48 -0.02 0.00 -1.26 -5.06 105.19 101.78 1bwy n GLY 89 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1bwy n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 90 N -0.05 3.72 -0.56 1.61 1.02 0.44 -4.65 119.74 121.26 1bwy s LYS 90 Ca 0.00 -0.45 -0.28 0.00 0.02 0.00 0.00 55.97 55.26 1bwy s LYS 90 Cb 0.00 -3.35 0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1bwy s LYS 90 CO 0.00 -0.14 1.26 -1.17 -0.92 0.00 0.00 175.35 174.37 1bwy s LEU 91 N 1.51 3.45 -0.40 3.17 0.20 0.36 -0.40 118.68 126.57 1bwy s LEU 91 Ca 0.06 0.20 -0.18 0.00 0.69 0.00 0.00 54.13 54.90 1bwy s LEU 91 Cb -0.15 -3.17 0.01 0.00 -0.43 0.00 0.00 46.19 42.45 1bwy s LEU 91 CO 0.04 -1.53 0.48 0.68 -0.29 0.00 0.00 176.35 175.73 1bwy s VAL 92 N 5.24 5.04 -0.46 1.68 -7.23 0.76 -0.46 120.40 124.97 1bwy s VAL 92 Ca 0.46 -0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.40 1bwy s VAL 92 Cb -0.08 -4.02 0.05 0.00 0.56 0.00 0.00 36.38 32.89 1bwy s VAL 92 CO 0.26 -0.37 0.39 -2.28 -0.31 0.00 0.00 175.10 172.79 1bwy s HIS 93 N 2.29 3.23 -0.17 2.82 5.04 0.06 -0.94 115.29 127.62 1bwy s HIS 93 Ca 0.15 -0.78 -0.08 0.00 -1.54 0.00 0.00 55.06 52.81 1bwy s HIS 93 Cb -0.16 -3.03 -0.05 0.00 0.04 0.00 0.00 32.58 29.39 1bwy s HIS 93 CO 0.14 -0.75 0.12 0.54 -2.34 0.00 0.00 174.74 172.45 1bwy s VAL 94 N 1.75 5.34 -0.19 0.89 0.11 0.21 -0.19 120.40 128.32 1bwy s VAL 94 Ca 0.06 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1bwy s VAL 94 Cb -0.22 -3.39 0.05 0.00 -1.53 0.00 0.00 36.38 31.29 1bwy s VAL 94 CO 0.08 0.51 -0.01 -1.58 -3.33 0.00 0.00 175.10 170.77 1bwy s GLN 95 N -0.15 1.11 -0.09 1.54 0.74 0.30 -0.84 119.66 122.27 1bwy s GLN 95 Ca 0.10 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.98 1bwy s GLN 95 Cb -0.11 -2.11 0.02 0.00 1.10 0.00 0.00 33.01 31.90 1bwy s GLN 95 CO 0.00 -0.54 -0.12 0.21 -0.55 0.00 0.00 175.29 174.29 1bwy s LYS 96 N 1.69 1.79 0.00 1.67 2.20 0.75 -0.39 119.74 127.46 1bwy s LYS 96 Ca -0.01 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1bwy s LYS 96 Cb -0.17 -1.59 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1bwy s LYS 96 CO -0.07 -0.08 0.00 -2.67 -0.36 0.00 0.00 175.35 172.16 1bwy n TRP 97 N 4.25 0.00 -3.53 4.03 2.14 -1.15 -0.73 117.44 122.46 1bwy n TRP 97 Ca -0.19 0.00 -0.16 0.00 2.07 0.00 0.00 57.50 59.22 1bwy n TRP 97 Cb 0.51 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.96 1bwy n TRP 97 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1bwy s ASN 98 N -0.11 -0.58 0.00 -0.67 2.20 -1.26 -4.82 114.94 109.69 1bwy s ASN 98 Ca 0.00 0.59 0.00 0.00 -0.94 0.00 0.00 52.86 52.51 1bwy s ASN 98 Cb 0.00 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.73 1bwy s ASN 98 CO 0.00 -0.57 0.00 0.61 -2.94 0.00 0.00 177.10 174.20 1bwy n GLY 99 N 0.77 0.92 0.00 0.45 0.00 -1.26 -4.69 105.19 101.38 1bwy n GLY 99 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1bwy n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwy n GLN 100 N 0.00 0.00 -1.31 1.61 0.00 -1.26 -5.19 117.38 111.23 1bwy n GLN 100 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.00 57.00 1bwy n GLN 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1bwy n GLN 100 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1bwy n GLU 101 N 0.00 0.04 -4.07 2.61 0.28 -1.26 -2.92 120.64 115.31 1bwy n GLU 101 Ca 0.00 -0.09 -0.13 0.00 -0.16 0.00 0.00 57.16 56.78 1bwy n GLU 101 Cb 0.00 0.10 -0.11 0.00 1.43 0.00 0.00 31.44 32.86 1bwy n GLU 101 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1bwy s THR 102 N -2.77 0.53 -0.11 3.84 -1.32 0.48 -4.21 115.64 112.08 1bwy s THR 102 Ca 0.01 -1.14 -0.09 0.00 -1.21 0.00 0.00 61.69 59.26 1bwy s THR 102 Cb -0.00 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 1bwy s THR 102 CO 0.01 -0.42 0.20 -0.94 -2.21 0.00 0.00 174.62 171.25 1bwy s SER 103 N -1.68 6.45 -0.35 8.08 1.04 0.19 -0.54 113.70 126.89 1bwy s SER 103 Ca -0.09 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1bwy s SER 103 Cb -0.09 -2.11 0.11 0.00 0.10 0.00 0.00 66.02 64.03 1bwy s SER 103 CO -0.00 0.35 0.14 -0.76 0.98 0.00 0.00 173.24 173.95 1bwy s LEU 104 N -0.82 2.32 -0.15 2.42 1.43 0.73 -1.34 118.68 123.28 1bwy s LEU 104 Ca 0.16 -1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 51.20 1bwy s LEU 104 Cb -0.13 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 1bwy s LEU 104 CO 0.05 -0.37 0.27 0.68 0.23 0.00 0.00 176.35 177.21 1bwy s VAL 105 N 1.25 5.31 -0.17 -1.59 -7.23 -0.90 -0.76 120.40 116.32 1bwy s VAL 105 Ca 0.12 0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 60.78 1bwy s VAL 105 Cb -0.19 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.14 1bwy s VAL 105 CO -0.17 0.43 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.82 1bwy s ARG 106 N 0.19 3.33 -0.06 4.82 0.52 0.40 -2.80 118.95 125.34 1bwy s ARG 106 Ca 0.16 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1bwy s ARG 106 Cb -0.13 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.61 1bwy s ARG 106 CO 0.04 0.00 0.11 -2.00 0.02 0.00 0.00 175.30 173.47 1bwy s GLU 107 N 0.91 -0.01 -0.29 3.54 2.12 -0.44 -0.49 118.70 124.04 1bwy s GLU 107 Ca -0.02 0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.66 1bwy s GLU 107 Cb -0.15 -0.34 -0.00 0.00 0.26 0.00 0.00 34.13 33.90 1bwy s GLU 107 CO -0.00 -0.28 0.10 1.41 -0.54 0.00 0.00 175.26 175.95 1bwy s MET 108 N 1.97 3.26 0.17 4.30 -2.45 -1.26 0.02 119.30 125.30 1bwy s MET 108 Ca 0.01 -0.75 0.00 0.00 -1.25 0.00 0.00 55.69 53.70 1bwy s MET 108 Cb -0.12 -3.42 -0.00 0.00 1.25 0.00 0.00 34.83 32.53 1bwy s MET 108 CO -0.05 -0.40 0.01 1.33 1.05 0.00 0.00 175.02 176.97 1bwy n VAL 109 N 4.91 0.00 0.00 10.11 0.24 -1.21 -4.81 118.33 127.58 1bwy n VAL 109 Ca -0.15 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 1bwy n VAL 109 Cb 0.49 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1bwy n VAL 109 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bwy n ASP 110 N -1.33 0.00 -1.30 -1.34 2.03 -1.26 -1.49 116.55 111.86 1bwy n ASP 110 Ca -0.06 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.27 1bwy n ASP 110 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1bwy n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwy n GLY 111 N 0.00 0.87 2.75 0.27 0.00 -1.26 -5.08 105.19 102.74 1bwy n GLY 111 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 1bwy n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 112 N 0.00 0.32 -0.93 1.61 1.02 -0.56 -4.31 119.74 116.89 1bwy s LYS 112 Ca 0.25 0.19 -0.24 0.00 0.02 0.00 0.00 55.97 56.18 1bwy s LYS 112 Cb 0.28 -0.72 0.04 0.00 -0.52 0.00 0.00 37.83 36.91 1bwy s LYS 112 CO -0.12 -0.28 1.44 -1.17 -0.92 0.00 0.00 175.35 174.30 1bwy s LEU 113 N 1.83 3.39 0.26 3.17 0.20 0.52 -3.28 118.68 124.77 1bwy s LEU 113 Ca 0.02 -1.12 -0.30 0.00 0.69 0.00 0.00 54.13 53.42 1bwy s LEU 113 Cb -0.12 -2.57 -0.09 0.00 -0.43 0.00 0.00 46.19 42.98 1bwy s LEU 113 CO -0.04 -1.68 1.15 -0.63 -0.29 0.00 0.00 176.35 174.86 1bwy s ILE 114 N 5.53 3.43 -0.23 6.68 1.01 0.10 -0.39 121.20 137.34 1bwy s ILE 114 Ca 0.45 1.37 -0.04 0.00 0.00 0.00 0.00 60.65 62.42 1bwy s ILE 114 Cb -0.03 -3.87 0.08 0.00 0.01 0.00 0.00 42.46 38.66 1bwy s ILE 114 CO -0.03 0.29 0.12 -0.22 0.00 0.00 0.00 174.94 175.11 1bwy s LEU 115 N -1.13 0.38 -0.08 2.97 0.20 -0.15 -1.33 118.68 119.54 1bwy s LEU 115 Ca 0.47 -0.90 -0.13 0.00 0.69 0.00 0.00 54.13 54.26 1bwy s LEU 115 Cb -0.33 -0.23 -0.05 0.00 -0.43 0.00 0.00 46.19 45.16 1bwy s LEU 115 CO 0.41 -0.39 0.33 -0.89 -0.29 0.00 0.00 176.35 175.52 1bwy s THR 116 N 2.14 5.22 -0.21 3.68 2.01 -1.12 -0.70 115.64 126.66 1bwy s THR 116 Ca 0.06 0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.68 1bwy s THR 116 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1bwy s THR 116 CO -0.23 0.50 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.35 1bwy s LEU 117 N -0.43 2.63 -0.10 4.42 1.02 0.05 -2.12 118.68 124.15 1bwy s LEU 117 Ca 0.20 -0.49 0.01 0.00 0.02 0.00 0.00 54.13 53.87 1bwy s LEU 117 Cb -0.14 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.43 1bwy s LEU 117 CO 0.08 -0.02 -0.14 -0.89 0.02 0.00 0.00 176.35 175.41 1bwy s THR 118 N 1.41 1.39 0.24 5.49 2.01 -0.45 -0.71 115.64 125.02 1bwy s THR 118 Ca 0.05 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1bwy s THR 118 Cb -0.14 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1bwy s THR 118 CO -0.07 0.42 -0.03 -2.28 -0.69 0.00 0.00 174.62 171.98 1bwy s HIS 119 N 1.05 1.66 -0.04 4.92 5.04 -0.09 -0.64 115.29 127.19 1bwy s HIS 119 Ca -0.06 -0.84 -0.37 0.00 -1.54 0.00 0.00 55.06 52.24 1bwy s HIS 119 Cb -0.15 -0.95 -0.16 0.00 0.04 0.00 0.00 32.58 31.36 1bwy s HIS 119 CO -0.02 0.06 1.53 0.41 -2.34 0.00 0.00 174.74 174.39 1bwy n GLY 120 N -0.46 0.73 5.00 1.59 0.00 -1.26 -2.86 105.19 107.93 1bwy n GLY 120 Ca -0.05 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1bwy n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwy n THR 121 N 3.47 0.00 -3.19 2.61 5.66 -1.26 -4.91 114.28 116.66 1bwy n THR 121 Ca 0.21 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.82 1bwy n THR 121 Cb 0.19 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.91 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bwy s ALA 122 N 0.00 3.45 -0.07 1.79 0.00 -1.14 -5.06 121.76 120.74 1bwy s ALA 122 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1bwy s ALA 122 Cb 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1bwy s ALA 122 CO 0.00 0.08 -0.13 0.54 0.00 0.00 0.00 175.76 176.25 1bwy s VAL 123 N 0.15 1.19 0.08 0.00 0.11 -1.26 -0.92 120.40 119.75 1bwy s VAL 123 Ca 0.32 -0.52 -0.09 0.00 -2.93 0.00 0.00 61.98 58.76 1bwy s VAL 123 Cb -0.18 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1bwy s VAL 123 CO 0.16 0.37 0.19 0.00 -3.33 0.00 0.00 175.10 172.49 1bwy s THR 125 N -3.55 0.74 0.18 0.00 -4.23 -0.31 -0.77 115.64 107.70 1bwy s THR 125 Ca 0.03 -1.30 -0.06 0.00 -1.18 0.00 0.00 61.69 59.17 1bwy s THR 125 Cb 0.03 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 1bwy s THR 125 CO -0.09 -0.42 0.24 0.00 -0.54 0.00 0.00 174.62 173.81 1bwy s ARG 126 N -2.02 1.20 0.02 3.99 1.70 0.13 -0.45 118.95 123.52 1bwy s ARG 126 Ca -0.04 -1.34 0.02 0.00 -0.47 0.00 0.00 55.73 53.90 1bwy s ARG 126 Cb -0.07 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 1bwy s ARG 126 CO 0.00 -0.43 -0.06 0.95 -1.08 0.00 0.00 175.30 174.68 1bwy s THR 127 N -4.04 0.44 -0.09 4.99 -4.23 -1.23 -0.98 115.64 110.50 1bwy s THR 127 Ca 0.25 -0.75 0.03 0.00 -1.18 0.00 0.00 61.69 60.04 1bwy s THR 127 Cb 0.04 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1bwy s THR 127 CO 0.05 -0.22 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.39 1bwy s TYR 128 N -0.93 2.29 -0.11 3.99 2.02 0.48 -0.57 117.35 124.51 1bwy s TYR 128 Ca -0.06 -0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 55.67 1bwy s TYR 128 Cb -0.07 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1bwy s TYR 128 CO 0.00 -0.39 0.02 -1.21 -1.57 0.00 0.00 175.55 172.39 1bwy s GLU 129 N 0.45 3.29 0.32 -0.62 2.02 0.26 -0.36 118.70 124.07 1bwy s GLU 129 Ca -0.17 -0.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 1bwy s GLU 129 Cb -0.17 -2.91 -0.10 0.00 0.10 0.00 0.00 34.13 31.04 1bwy s GLU 129 CO 0.07 0.57 1.37 0.21 0.02 0.00 0.00 175.26 177.50 1bwy s LYS 130 N -0.50 4.29 0.00 1.61 2.20 -1.26 -0.47 119.74 125.61 1bwy s LYS 130 Ca 0.09 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 1bwy s LYS 130 Cb -0.12 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1bwy s LYS 130 CO 0.02 -0.31 0.16 0.00 -0.36 0.00 0.00 175.35 174.87 1bwy n GLN 131 N 1.03 3.07 -0.61 4.03 10.64 0.33 -4.79 117.38 131.09 1bwy n GLN 131 Ca 0.02 -0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.02 1bwy n GLN 131 Cb 0.41 -0.60 0.00 0.00 -0.86 0.00 0.00 30.24 29.18 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23