#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwy n ASP 2 N 0.00 4.14 0.00 6.55 9.92 -1.26 -1.55 116.55 134.35 1bwy n ASP 2 Ca 0.00 -2.24 0.00 0.00 -0.53 0.00 0.00 54.79 52.02 1bwy n ASP 2 Cb 0.00 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwy n ALA 3 N 4.04 0.00 -0.26 2.24 0.00 -1.26 -4.96 120.51 120.31 1bwy n ALA 3 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 1bwy n ALA 3 Cb 0.17 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.70 1bwy n ALA 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bwy h PHE 4 N 0.00 0.89 -0.05 0.00 0.04 -1.63 -3.43 116.94 112.76 1bwy h PHE 4 Ca 0.00 0.02 -0.54 0.00 2.80 0.00 0.00 57.97 60.25 1bwy h PHE 4 Cb 0.00 -0.30 -0.08 0.00 2.20 0.00 0.00 35.95 37.78 1bwy h PHE 4 CO 0.00 0.53 1.68 0.28 -0.60 0.00 0.00 178.31 180.21 1bwy n VAL 5 N -4.61 -0.00 -0.87 -0.55 0.31 -1.23 -4.56 118.33 106.81 1bwy n VAL 5 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1bwy n VAL 5 Cb 0.05 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 6 N 6.65 0.23 3.16 2.92 0.00 0.38 -5.00 105.19 113.52 1bwy n GLY 6 Ca 0.63 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.53 2.35 -0.04 2.61 2.01 0.32 -0.71 115.64 118.64 1bwy s THR 7 Ca 0.00 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1bwy s THR 7 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1bwy s THR 7 CO 0.00 0.50 -0.04 0.26 -0.69 0.00 0.00 174.62 174.65 1bwy s TRP 8 N 1.33 3.00 -0.06 4.92 0.52 0.15 -0.42 118.94 128.37 1bwy s TRP 8 Ca 0.05 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.26 1bwy s TRP 8 Cb -0.13 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 1bwy s TRP 8 CO -0.11 0.40 -0.16 0.21 0.02 0.00 0.00 176.95 177.31 1bwy s LYS 9 N -1.12 2.64 -0.01 4.98 2.20 0.11 -0.64 119.74 127.90 1bwy s LYS 9 Ca 0.15 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1bwy s LYS 9 Cb -0.11 -2.38 -0.03 0.00 -1.51 0.00 0.00 37.83 33.80 1bwy s LYS 9 CO 0.05 0.52 1.08 -1.17 -0.36 0.00 0.00 175.35 175.47 1bwy s LEU 10 N -0.47 4.33 -0.20 5.43 0.20 -0.35 -0.84 118.68 126.77 1bwy s LEU 10 Ca 0.06 1.75 -0.05 0.00 0.69 0.00 0.00 54.13 56.58 1bwy s LEU 10 Cb -0.12 -3.57 -0.11 0.00 -0.43 0.00 0.00 46.19 41.97 1bwy s LEU 10 CO 0.02 -0.40 -0.23 0.55 -0.29 0.00 0.00 176.35 176.00 1bwy n VAL 11 N 4.15 1.14 -4.22 1.68 3.14 -0.80 -4.55 118.33 118.87 1bwy n VAL 11 Ca 0.08 -0.35 -0.20 0.00 -2.96 0.00 0.00 64.34 60.91 1bwy n VAL 11 Cb 0.49 -1.53 -0.12 0.00 -1.06 0.00 0.00 33.84 31.62 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 -6.46 1.98 -0.17 6.55 2.15 -1.21 -5.02 116.67 114.49 1bwy s ASP 12 Ca -0.28 -0.68 -0.30 0.00 0.43 0.00 0.00 52.55 51.72 1bwy s ASP 12 Cb 0.09 -0.08 0.13 0.00 -0.30 0.00 0.00 42.92 42.77 1bwy s ASP 12 CO 0.41 -0.06 1.04 -0.55 -0.17 0.00 0.00 175.17 175.84 1bwy s SER 13 N -1.96 -0.32 0.02 -0.34 0.15 -1.26 -1.09 113.70 108.90 1bwy s SER 13 Ca 0.03 0.34 0.01 0.00 0.70 0.00 0.00 55.95 57.02 1bwy s SER 13 Cb -0.09 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1bwy s SER 13 CO 0.03 -0.31 -0.04 -0.75 1.20 0.00 0.00 173.24 173.37 1bwy s LYS 14 N -1.19 0.34 -1.12 5.44 2.20 -0.79 -4.90 119.74 119.72 1bwy s LYS 14 Ca 0.00 -0.58 -0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1bwy s LYS 14 Cb -0.01 -0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.30 1bwy s LYS 14 CO -0.00 -0.02 0.97 0.09 -0.36 0.00 0.00 175.35 176.03 1bwy n ASN 15 N 1.75 -4.36 0.00 1.43 4.13 -1.26 -2.86 115.26 114.09 1bwy n ASN 15 Ca -0.22 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.54 1bwy n ASN 15 Cb 0.55 -4.46 0.00 0.00 -1.54 0.00 0.00 39.78 34.33 1bwy n ASN 15 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1bwy n PHE 16 N -4.31 0.00 -0.06 3.10 -0.00 -1.26 -3.02 117.46 111.91 1bwy n PHE 16 Ca -0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.28 1bwy n PHE 16 Cb 0.59 -0.47 -0.02 0.00 -0.00 0.00 0.00 39.48 39.58 1bwy n PHE 16 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1bwy h ASP 17 N 0.00 -0.17 -0.50 -2.13 1.82 -1.94 -1.16 116.42 112.34 1bwy h ASP 17 Ca 0.00 0.07 0.08 0.00 -0.39 0.00 0.00 57.03 56.78 1bwy h ASP 17 Cb 0.00 0.13 -0.08 0.00 0.68 0.00 0.00 39.33 40.06 1bwy h ASP 17 CO 0.00 -0.05 -0.19 -0.67 -1.61 0.00 0.00 179.24 176.72 1bwy n ASP 18 N -5.19 -0.32 -0.07 2.28 2.03 -1.26 -0.16 116.55 113.87 1bwy n ASP 18 Ca -0.01 0.87 -0.07 0.00 0.52 0.00 0.00 54.79 56.10 1bwy n ASP 18 Cb 0.14 -0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.47 -0.03 -0.67 3.20 -1.11 0.30 116.97 118.18 1bwy h TYR 19 Ca 0.18 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.91 1bwy h TYR 19 Cb 0.30 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1bwy h TYR 19 CO -0.44 -0.26 -0.76 0.00 -1.64 0.00 0.00 178.16 175.06 1bwy h MET 20 N -0.16 0.24 -0.93 1.82 -0.00 -0.60 -0.26 114.93 115.04 1bwy h MET 20 Ca 0.15 -0.22 0.08 0.00 -0.00 0.00 0.00 59.70 59.71 1bwy h MET 20 Cb 0.39 0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 31.97 1bwy h MET 20 CO -0.38 0.89 0.58 0.87 -0.00 0.00 0.00 176.91 178.87 1bwy h LYS 21 N 0.16 0.99 0.21 -0.10 1.79 0.02 0.15 116.57 119.79 1bwy h LYS 21 Ca -0.03 -0.06 -0.31 0.00 -2.18 0.00 0.00 60.65 58.07 1bwy h LYS 21 Cb 1.34 -0.22 0.02 0.00 -1.58 0.00 0.00 32.23 31.79 1bwy h LYS 21 CO 0.12 0.66 -1.44 0.66 -1.08 0.00 0.00 179.45 178.37 1bwy h SER 22 N 1.02 0.68 -0.95 0.86 4.64 -0.29 -3.29 113.55 116.23 1bwy h SER 22 Ca 0.42 -0.92 0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1bwy h SER 22 Cb 0.25 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 1bwy h SER 22 CO -0.20 1.67 0.61 -0.07 -0.87 0.00 0.00 176.83 177.98 1bwy h LEU 23 N 0.00 0.95 0.00 5.97 3.38 -0.97 -3.47 115.31 121.17 1bwy h LEU 23 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1bwy h LEU 23 Cb 2.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1bwy h LEU 23 CO 0.21 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1bwy n GLY 24 N -1.38 0.70 0.00 0.83 0.00 -0.19 -5.03 105.19 100.13 1bwy n GLY 24 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -1.60 1.61 3.14 0.27 -5.04 118.33 116.71 1bwy n VAL 25 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 1bwy n VAL 25 Cb 0.00 0.23 -0.11 0.00 -1.06 0.00 0.00 33.84 32.90 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 26 N 0.00 0.01 3.57 7.55 0.00 0.28 -4.85 105.19 111.75 1bwy n GLY 26 Ca 0.00 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 1bwy n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1bwy n PHE 27 N 17.64 1.10 -0.97 1.61 1.16 -1.26 -4.69 117.46 132.05 1bwy n PHE 27 Ca 0.43 0.73 -0.30 0.00 -1.87 0.00 0.00 57.45 56.43 1bwy n PHE 27 Cb 0.46 -2.23 -0.03 0.00 -1.61 0.00 0.00 39.48 36.08 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bwy n ALA 28 N 0.37 4.89 0.00 1.98 0.00 -1.26 -3.45 120.51 123.03 1bwy n ALA 28 Ca 0.11 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.94 1bwy n ALA 28 Cb 0.30 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1bwy n ALA 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bwy n THR 29 N 4.55 0.00 -0.27 0.00 -1.04 -1.26 -4.85 114.28 111.41 1bwy n THR 29 Ca 0.51 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.58 1bwy n THR 29 Cb 0.22 0.00 0.29 0.00 -1.82 0.00 0.00 70.33 69.02 1bwy n THR 29 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1bwy h ARG 30 N 0.00 0.87 -1.49 -2.82 9.65 -1.92 0.11 114.38 118.78 1bwy h ARG 30 Ca 0.00 -0.05 0.45 0.00 -1.10 0.00 0.00 59.98 59.28 1bwy h ARG 30 Cb 0.00 -0.20 -0.10 0.00 -1.39 0.00 0.00 29.97 28.29 1bwy h ARG 30 CO 0.00 0.57 1.03 -0.56 2.80 0.00 0.00 179.97 183.81 1bwy h GLN 31 N 0.89 0.06 0.00 0.20 -0.00 -1.89 -2.69 115.11 111.69 1bwy h GLN 31 Ca 0.39 -0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.85 1bwy h GLN 31 Cb 0.32 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.76 1bwy h GLN 31 CO -0.15 0.04 -1.70 1.55 -0.00 0.00 0.00 178.83 178.57 1bwy n VAL 32 N -4.35 0.70 0.60 1.86 3.14 -0.37 -4.65 118.33 115.26 1bwy n VAL 32 Ca 0.37 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1bwy n VAL 32 Cb 1.55 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 33.49 1bwy n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 33 N 2.66 1.10 0.00 7.55 0.00 0.25 -2.51 105.19 114.24 1bwy n GLY 33 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bwy n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bwy n ASN 34 N 0.54 3.48 -0.07 1.61 6.94 -1.16 -4.67 115.26 121.92 1bwy n ASN 34 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 1bwy n ASN 34 Cb 0.25 0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 37.65 1bwy n ASN 34 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 1bwy h MET 35 N 0.00 0.67 -6.22 -3.83 4.05 -1.78 -3.36 114.93 104.46 1bwy h MET 35 Ca 0.00 -0.40 -0.55 0.00 -0.28 0.00 0.00 59.70 58.46 1bwy h MET 35 Cb 0.85 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.70 1bwy h MET 35 CO 0.00 1.02 1.33 -0.08 0.23 0.00 0.00 176.91 179.41 1bwy s THR 36 N -4.18 3.01 -0.17 -0.77 -1.32 -1.25 -4.89 115.64 106.08 1bwy s THR 36 Ca -0.12 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.08 1bwy s THR 36 Cb 0.08 -3.01 -0.05 0.00 -1.51 0.00 0.00 72.50 68.01 1bwy s THR 36 CO 0.83 -0.00 1.88 -0.54 -2.21 0.00 0.00 174.62 174.58 1bwy s LYS 37 N 5.19 3.66 0.67 7.08 3.01 -1.26 -4.88 119.74 133.20 1bwy s LYS 37 Ca 0.93 1.97 -0.14 0.00 -1.01 0.00 0.00 55.97 57.73 1bwy s LYS 37 Cb -0.39 -4.17 0.00 0.00 -1.01 0.00 0.00 37.83 32.26 1bwy s LYS 37 CO 0.39 -1.48 1.08 -1.25 0.51 0.00 0.00 175.35 174.61 1bwy s PRO 38 N 5.16 2.87 0.10 -1.68 0.04 -1.26 -4.85 135.00 135.39 1bwy s PRO 38 Ca 0.84 1.23 0.05 0.00 0.04 0.00 0.00 61.00 63.16 1bwy s PRO 38 Cb -0.31 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1bwy s PRO 38 CO 0.34 -1.17 -0.13 0.99 0.04 0.00 0.00 177.00 177.07 1bwy s THR 39 N -2.58 1.14 -0.16 1.26 2.01 -1.02 -1.22 115.64 115.08 1bwy s THR 39 Ca 0.64 -1.61 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 1bwy s THR 39 Cb -0.18 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.04 1bwy s THR 39 CO 0.45 -0.43 0.28 -0.89 -0.69 0.00 0.00 174.62 173.34 1bwy s THR 40 N -2.08 -0.44 0.34 -0.82 2.01 0.19 -0.51 115.64 114.32 1bwy s THR 40 Ca 0.05 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 1bwy s THR 40 Cb -0.05 -0.54 -0.10 0.00 0.01 0.00 0.00 72.50 71.83 1bwy s THR 40 CO 0.02 0.04 1.00 0.27 -0.69 0.00 0.00 174.62 175.25 1bwy s ILE 41 N 2.44 3.96 -0.17 1.82 -4.36 -0.40 -0.68 121.20 123.81 1bwy s ILE 41 Ca 0.03 1.64 -0.03 0.00 -0.26 0.00 0.00 60.65 62.03 1bwy s ILE 41 Cb -0.13 -3.92 0.06 0.00 1.25 0.00 0.00 42.46 39.72 1bwy s ILE 41 CO -0.10 0.14 0.04 -0.63 0.24 0.00 0.00 174.94 174.63 1bwy s ILE 42 N -1.55 0.41 0.02 8.37 1.01 0.11 -1.44 121.20 128.13 1bwy s ILE 42 Ca 0.51 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1bwy s ILE 42 Cb -0.22 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1bwy s ILE 42 CO 0.27 -0.15 -0.16 -0.70 0.00 0.00 0.00 174.94 174.21 1bwy s GLU 43 N 1.92 1.12 -1.26 2.79 2.56 -0.00 -0.47 118.70 125.36 1bwy s GLU 43 Ca 0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 54.97 54.05 1bwy s GLU 43 Cb -0.16 -1.14 0.03 0.00 2.00 0.00 0.00 34.13 34.86 1bwy s GLU 43 CO -0.08 0.29 1.78 0.54 -0.56 0.00 0.00 175.26 177.24 1bwy s VAL 44 N -0.68 3.95 -1.02 3.70 0.11 -1.26 -0.48 120.40 124.71 1bwy s VAL 44 Ca 0.04 -1.59 -0.25 0.00 -2.93 0.00 0.00 61.98 57.25 1bwy s VAL 44 Cb -0.07 -5.01 -0.17 0.00 -1.53 0.00 0.00 36.38 29.59 1bwy s VAL 44 CO 0.01 -1.73 1.97 -3.20 -3.33 0.00 0.00 175.10 168.82 1bwy n ASN 45 N 10.10 2.21 0.00 3.54 5.15 -0.49 -4.79 115.26 130.99 1bwy n ASN 45 Ca 0.47 -2.60 0.00 0.00 -0.60 0.00 0.00 54.58 51.85 1bwy n ASN 45 Cb 0.46 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bwy n GLY 46 N 5.74 2.35 0.04 8.20 0.00 -1.26 -0.84 105.19 119.42 1bwy n GLY 46 Ca 0.44 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.69 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 10.44 0.54 -5.01 1.61 5.75 -1.26 -4.90 116.55 123.71 1bwy n ASP 47 Ca 0.00 0.12 -0.21 0.00 -0.01 0.00 0.00 54.79 54.68 1bwy n ASP 47 Cb 0.00 -0.03 0.05 0.00 -1.03 0.00 0.00 41.12 40.11 1bwy n ASP 47 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1bwy s THR 48 N -3.08 1.97 -0.02 2.12 -4.23 -0.02 -4.77 115.64 107.61 1bwy s THR 48 Ca 0.09 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1bwy s THR 48 Cb 0.15 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 1bwy s THR 48 CO 0.67 0.00 -0.19 0.54 -0.54 0.00 0.00 174.62 175.09 1bwy s VAL 49 N -2.72 1.56 -0.10 2.29 0.11 0.55 -1.39 120.40 120.70 1bwy s VAL 49 Ca 0.56 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1bwy s VAL 49 Cb -0.05 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.48 1bwy s VAL 49 CO 0.36 0.44 -0.11 -0.51 -3.33 0.00 0.00 175.10 171.95 1bwy s ILE 50 N -0.36 3.32 -0.00 7.04 2.07 0.36 -0.57 121.20 133.06 1bwy s ILE 50 Ca 0.05 -0.59 0.03 0.00 -1.41 0.00 0.00 60.65 58.73 1bwy s ILE 50 Cb -0.09 -2.38 -0.03 0.00 0.13 0.00 0.00 42.46 40.09 1bwy s ILE 50 CO -0.00 0.55 -0.08 0.27 -1.91 0.00 0.00 174.94 173.77 1bwy s ILE 51 N -0.13 3.53 -0.19 2.00 -0.00 -0.02 -0.82 121.20 125.58 1bwy s ILE 51 Ca -0.00 -0.78 -0.02 0.00 -0.00 0.00 0.00 60.65 59.85 1bwy s ILE 51 Cb -0.13 -2.51 0.05 0.00 -0.00 0.00 0.00 42.46 39.87 1bwy s ILE 51 CO 0.03 0.42 0.00 -0.75 -0.00 0.00 0.00 174.94 174.64 1bwy s LYS 52 N -1.31 0.98 -0.19 0.37 2.36 -0.52 -1.23 119.74 120.19 1bwy s LYS 52 Ca 0.16 -0.51 -0.07 0.00 -2.55 0.00 0.00 55.97 53.00 1bwy s LYS 52 Cb -0.11 -2.10 -0.04 0.00 -1.05 0.00 0.00 37.83 34.53 1bwy s LYS 52 CO 0.06 -0.57 0.06 0.99 1.55 0.00 0.00 175.35 177.44 1bwy s THR 53 N 1.74 4.71 -0.21 3.43 2.01 0.49 -1.27 115.64 126.53 1bwy s THR 53 Ca -0.01 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 1bwy s THR 53 Cb -0.17 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1bwy s THR 53 CO -0.07 0.44 0.06 -1.10 -0.69 0.00 0.00 174.62 173.25 1bwy s GLN 54 N 0.57 3.79 -0.43 4.92 -1.52 0.33 -1.94 119.66 125.38 1bwy s GLN 54 Ca 0.03 -0.43 0.07 0.00 -1.95 0.00 0.00 55.36 53.09 1bwy s GLN 54 Cb -0.13 -3.24 0.26 0.00 -0.22 0.00 0.00 33.01 29.68 1bwy s GLN 54 CO 0.01 0.04 0.72 0.45 -0.25 0.00 0.00 175.29 176.26 1bwy n SER 55 N 4.22 -1.12 -2.92 5.90 2.88 -0.98 -2.43 113.62 119.17 1bwy n SER 55 Ca -0.16 -3.02 -0.02 0.00 -1.33 0.00 0.00 58.87 54.34 1bwy n SER 55 Cb 0.52 0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 64.44 1bwy n SER 55 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1bwy n THR 56 N 1.35 -6.09 0.00 2.46 -2.24 -1.26 -3.65 114.28 104.85 1bwy n THR 56 Ca 0.16 1.14 0.00 0.00 -2.27 0.00 0.00 64.05 63.08 1bwy n THR 56 Cb 0.59 -4.36 0.00 0.00 -2.10 0.00 0.00 70.33 64.46 1bwy n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1bwy n PHE 57 N 1.79 0.00 -1.66 4.78 7.35 -1.26 -4.84 117.46 123.62 1bwy n PHE 57 Ca -0.12 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.12 1bwy n PHE 57 Cb 0.29 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.09 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1bwy n LYS 58 N 0.00 1.97 -3.69 -4.13 4.81 -1.24 -4.99 118.16 110.89 1bwy n LYS 58 Ca 0.00 0.70 -0.12 0.00 -0.87 0.00 0.00 58.31 58.03 1bwy n LYS 58 Cb 0.00 -2.35 -0.06 0.00 0.02 0.00 0.00 35.03 32.64 1bwy n LYS 58 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1bwy s ASN 59 N 0.27 -0.21 0.06 3.14 0.02 -1.26 -2.32 114.94 114.64 1bwy s ASN 59 Ca 0.68 -0.17 -0.06 0.00 -1.02 0.00 0.00 52.86 52.30 1bwy s ASN 59 Cb -0.66 0.41 -0.01 0.00 0.02 0.00 0.00 41.25 41.01 1bwy s ASN 59 CO 0.50 -0.70 0.10 0.42 0.02 0.00 0.00 177.10 177.44 1bwy s THR 60 N -2.90 0.16 -0.17 1.60 -4.23 -0.82 -4.96 115.64 104.32 1bwy s THR 60 Ca -0.03 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1bwy s THR 60 Cb 0.00 -1.23 0.06 0.00 1.34 0.00 0.00 72.50 72.67 1bwy s THR 60 CO -0.05 -0.72 0.42 -0.70 -0.54 0.00 0.00 174.62 173.03 1bwy s GLU 61 N -3.43 0.42 -0.12 3.99 2.12 -1.26 -0.38 118.70 120.04 1bwy s GLU 61 Ca 0.02 0.76 -0.06 0.00 0.36 0.00 0.00 54.97 56.05 1bwy s GLU 61 Cb 0.04 0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.52 1bwy s GLU 61 CO -0.08 -0.14 0.28 0.42 -0.54 0.00 0.00 175.26 175.20 1bwy s ILE 62 N 1.15 -0.13 -0.03 -3.70 1.01 -0.36 -4.96 121.20 114.18 1bwy s ILE 62 Ca -0.07 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.54 1bwy s ILE 62 Cb -0.07 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 1bwy s ILE 62 CO -0.10 0.07 0.59 -0.94 0.00 0.00 0.00 174.94 174.56 1bwy s SER 63 N 1.56 6.94 0.11 3.58 1.04 -1.26 -0.84 113.70 124.83 1bwy s SER 63 Ca -0.07 1.12 -0.11 0.00 0.48 0.00 0.00 55.95 57.37 1bwy s SER 63 Cb -0.10 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.66 1bwy s SER 63 CO -0.09 0.06 0.26 0.72 0.98 0.00 0.00 173.24 175.16 1bwy s PHE 64 N 0.04 0.09 -0.08 5.02 -0.12 0.27 -4.99 117.98 118.21 1bwy s PHE 64 Ca 0.31 -0.49 0.02 0.00 -0.05 0.00 0.00 56.93 56.72 1bwy s PHE 64 Cb -0.18 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 1bwy s PHE 64 CO 0.16 -0.61 -0.12 0.21 -0.05 0.00 0.00 175.22 174.81 1bwy s LYS 65 N -3.86 1.81 -0.93 1.99 2.36 -1.26 -0.33 119.74 119.52 1bwy s LYS 65 Ca 0.06 -0.43 -0.26 0.00 -2.55 0.00 0.00 55.97 52.79 1bwy s LYS 65 Cb 0.04 -1.55 -0.14 0.00 -1.05 0.00 0.00 37.83 35.13 1bwy s LYS 65 CO -0.10 -0.03 2.21 -0.48 1.55 0.00 0.00 175.35 178.49 1bwy s LEU 66 N 0.88 2.79 0.00 5.43 2.34 -1.26 -2.97 118.68 125.89 1bwy s LEU 66 Ca -0.10 -0.52 0.00 0.00 0.06 0.00 0.00 54.13 53.57 1bwy s LEU 66 Cb -0.15 -2.57 0.00 0.00 -0.56 0.00 0.00 46.19 42.91 1bwy s LEU 66 CO 0.01 -3.87 0.00 0.61 -1.06 0.00 0.00 176.35 172.04 1bwy n GLY 67 N 6.55 0.40 3.20 -3.48 0.00 0.13 -4.69 105.19 107.30 1bwy n GLY 67 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.64 0.09 -0.10 1.61 1.01 -0.50 -5.00 120.40 116.88 1bwy s VAL 68 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1bwy s VAL 68 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1bwy s VAL 68 CO 0.00 -0.40 -0.11 -0.70 0.00 0.00 0.00 175.10 173.88 1bwy s GLU 69 N -2.12 3.10 0.30 2.72 2.12 -1.26 -1.24 118.70 122.32 1bwy s GLU 69 Ca -0.08 -0.65 -0.16 0.00 0.36 0.00 0.00 54.97 54.43 1bwy s GLU 69 Cb -0.03 -2.59 0.06 0.00 0.26 0.00 0.00 34.13 31.83 1bwy s GLU 69 CO -0.01 0.39 0.83 1.97 -0.54 0.00 0.00 175.26 177.90 1bwy n PHE 70 N 3.03 -1.93 -2.97 5.30 -1.74 -0.38 -5.00 117.46 113.77 1bwy n PHE 70 Ca -0.18 -1.55 -0.41 0.00 -0.56 0.00 0.00 57.45 54.75 1bwy n PHE 70 Cb 0.53 0.77 -0.05 0.00 1.52 0.00 0.00 39.48 42.25 1bwy n PHE 70 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bwy s ASP 71 N -3.09 6.79 -0.31 5.98 -1.08 -1.26 -0.69 116.67 123.00 1bwy s ASP 71 Ca 0.17 0.97 -0.01 0.00 -0.52 0.00 0.00 52.55 53.17 1bwy s ASP 71 Cb -0.04 -2.41 0.07 0.00 -1.46 0.00 0.00 42.92 39.08 1bwy s ASP 71 CO 0.09 -0.41 0.02 -0.70 0.52 0.00 0.00 175.17 174.69 1bwy s GLU 72 N 2.44 2.25 -0.85 4.34 2.12 0.63 -4.87 118.70 124.76 1bwy s GLU 72 Ca 0.33 -1.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.23 1bwy s GLU 72 Cb -0.16 -3.20 0.35 0.00 0.26 0.00 0.00 34.13 31.38 1bwy s GLU 72 CO 0.09 -0.71 1.80 2.41 -0.54 0.00 0.00 175.26 178.31 1bwy n THR 73 N 4.56 4.26 -2.28 -1.70 -1.04 -1.26 -0.90 114.28 115.91 1bwy n THR 73 Ca -0.10 -4.99 -0.37 0.00 -2.04 0.00 0.00 64.05 56.55 1bwy n THR 73 Cb 0.43 -1.35 -0.01 0.00 -1.82 0.00 0.00 70.33 67.57 1bwy n THR 73 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1bwy s THR 74 N -4.85 3.17 0.23 12.58 2.01 -0.93 -4.81 115.64 123.04 1bwy s THR 74 Ca 0.47 0.86 -0.06 0.00 0.31 0.00 0.00 61.69 63.28 1bwy s THR 74 Cb 0.35 -3.43 0.20 0.00 0.01 0.00 0.00 72.50 69.63 1bwy s THR 74 CO -0.29 -0.03 1.72 0.00 -0.69 0.00 0.00 174.62 175.34 1bwy h ALA 75 N 1.99 0.96 0.00 7.40 0.00 -1.93 0.18 119.26 127.86 1bwy h ALA 75 Ca -0.49 0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 1bwy h ALA 75 Cb 1.25 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1bwy h ALA 75 CO 0.60 -0.23 -1.85 -0.40 0.00 0.00 0.00 179.25 177.37 1bwy n ASP 76 N -5.03 1.91 0.20 0.00 5.68 -1.26 -4.24 116.55 113.80 1bwy n ASP 76 Ca 0.13 0.39 0.17 0.00 -0.50 0.00 0.00 54.79 54.98 1bwy n ASP 76 Cb 0.38 -0.89 0.82 0.00 -1.14 0.00 0.00 41.12 40.29 1bwy n ASP 76 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1bwy h ASP 77 N -1.00 0.00 -2.21 -1.12 3.32 -1.95 -3.48 116.42 109.98 1bwy h ASP 77 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1bwy h ASP 77 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1bwy h ASP 77 CO -0.31 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.75 1bwy n ARG 78 N -3.80 0.00 -2.33 3.56 1.74 0.64 -4.48 116.66 112.00 1bwy n ARG 78 Ca 0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 1bwy n ARG 78 Cb 0.35 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.75 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bwy s LYS 79 N 0.00 3.13 0.08 5.56 2.20 -1.26 -2.20 119.74 127.26 1bwy s LYS 79 Ca 0.00 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1bwy s LYS 79 Cb 0.00 -5.24 -0.04 0.00 -1.51 0.00 0.00 37.83 31.04 1bwy s LYS 79 CO 0.00 -2.76 0.04 0.54 -0.36 0.00 0.00 175.35 172.81 1bwy s VAL 80 N 7.31 4.31 -0.31 4.02 0.11 -0.08 -4.90 120.40 130.86 1bwy s VAL 80 Ca 0.57 -0.86 -0.25 0.00 -2.93 0.00 0.00 61.98 58.51 1bwy s VAL 80 Cb -0.03 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 1bwy s VAL 80 CO -0.05 0.13 0.86 -0.75 -3.33 0.00 0.00 175.10 171.96 1bwy s LYS 81 N -2.34 3.98 0.36 1.54 2.47 0.26 -0.27 119.74 125.74 1bwy s LYS 81 Ca 0.28 0.69 -0.23 0.00 -1.56 0.00 0.00 55.97 55.15 1bwy s LYS 81 Cb -0.12 -3.73 -0.10 0.00 -1.46 0.00 0.00 37.83 32.42 1bwy s LYS 81 CO 0.20 -0.74 0.92 -1.54 0.16 0.00 0.00 175.35 174.36 1bwy s SER 82 N 1.63 7.14 -0.03 1.43 1.04 0.13 -0.48 113.70 124.56 1bwy s SER 82 Ca 0.35 1.73 -0.01 0.00 0.48 0.00 0.00 55.95 58.50 1bwy s SER 82 Cb -0.14 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.47 1bwy s SER 82 CO 0.13 -0.18 0.04 -0.51 0.98 0.00 0.00 173.24 173.70 1bwy s ILE 83 N -1.85 -0.04 -0.03 -1.02 2.07 -0.13 -1.25 121.20 118.96 1bwy s ILE 83 Ca 0.55 0.28 -0.05 0.00 -1.41 0.00 0.00 60.65 60.01 1bwy s ILE 83 Cb -0.14 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.31 1bwy s ILE 83 CO 0.19 0.14 0.13 0.54 -1.91 0.00 0.00 174.94 174.03 1bwy s VAL 84 N 1.53 0.03 0.11 4.00 0.11 -0.37 -0.46 120.40 125.36 1bwy s VAL 84 Ca -0.03 -0.29 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1bwy s VAL 84 Cb -0.13 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1bwy s VAL 84 CO -0.03 -0.16 0.19 1.07 -3.33 0.00 0.00 175.10 172.85 1bwy n THR 85 N 2.40 0.00 -3.73 5.04 5.66 0.01 0.20 114.28 123.86 1bwy n THR 85 Ca -0.17 -0.38 -0.26 0.00 -3.05 0.00 0.00 64.05 60.20 1bwy n THR 85 Cb 0.58 0.30 -0.17 0.00 -1.55 0.00 0.00 70.33 69.49 1bwy n THR 85 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1bwy s LEU 86 N 0.00 0.88 -0.22 1.09 0.20 -1.26 -0.46 118.68 118.91 1bwy s LEU 86 Ca 0.06 -0.57 -0.12 0.00 0.69 0.00 0.00 54.13 54.19 1bwy s LEU 86 Cb -0.01 -0.50 -0.05 0.00 -0.43 0.00 0.00 46.19 45.21 1bwy s LEU 86 CO 0.04 -0.28 0.23 1.51 -0.29 0.00 0.00 176.35 177.57 1bwy s ASP 87 N 1.93 6.24 0.00 3.68 1.47 0.32 -4.86 116.67 125.45 1bwy s ASP 87 Ca 0.01 0.27 0.00 0.00 1.18 0.00 0.00 52.55 54.01 1bwy s ASP 87 Cb -0.15 -2.14 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 1bwy s ASP 87 CO -0.07 0.04 0.00 0.61 0.68 0.00 0.00 175.17 176.43 1bwy n GLY 88 N 4.04 0.22 0.98 2.12 0.00 -1.26 -0.14 105.19 111.15 1bwy n GLY 88 Ca -0.13 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.56 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 0.75 3.05 -0.02 0.00 -1.26 -5.11 105.19 102.60 1bwy n GLY 89 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 1.82 -0.39 1.61 3.01 0.80 -4.67 119.74 121.91 1bwy s LYS 90 Ca 0.11 -0.47 -0.29 0.00 -1.01 0.00 0.00 55.97 54.31 1bwy s LYS 90 Cb 0.12 -1.49 0.02 0.00 -1.01 0.00 0.00 37.83 35.47 1bwy s LYS 90 CO -0.05 0.06 1.19 -1.17 0.51 0.00 0.00 175.35 175.88 1bwy s LEU 91 N 0.57 3.76 -0.22 3.17 1.98 0.76 -0.52 118.68 128.19 1bwy s LEU 91 Ca -0.14 0.81 -0.09 0.00 -2.89 0.00 0.00 54.13 51.82 1bwy s LEU 91 Cb -0.16 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.11 1bwy s LEU 91 CO 0.04 -1.14 0.11 -0.69 -1.89 0.00 0.00 176.35 172.78 1bwy s VAL 92 N 4.34 5.04 -0.28 1.68 1.01 0.39 -0.42 120.40 132.17 1bwy s VAL 92 Ca 0.50 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1bwy s VAL 92 Cb -0.11 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 33.04 1bwy s VAL 92 CO 0.26 0.39 0.09 -2.28 0.00 0.00 0.00 175.10 173.56 1bwy s HIS 93 N 0.82 1.12 0.21 5.22 5.04 0.11 -0.81 115.29 126.99 1bwy s HIS 93 Ca 0.06 -1.26 -0.14 0.00 -1.54 0.00 0.00 55.06 52.18 1bwy s HIS 93 Cb -0.13 -1.30 -0.08 0.00 0.04 0.00 0.00 32.58 31.11 1bwy s HIS 93 CO 0.02 -0.80 0.61 0.08 -2.34 0.00 0.00 174.74 172.32 1bwy s VAL 94 N 1.82 4.80 -0.29 0.89 1.01 0.40 -0.98 120.40 128.05 1bwy s VAL 94 Ca 0.07 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 1bwy s VAL 94 Cb -0.17 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.62 1bwy s VAL 94 CO -0.25 0.07 0.18 -1.58 0.00 0.00 0.00 175.10 173.52 1bwy s GLN 95 N -2.39 0.24 -0.27 2.72 0.74 0.18 -0.95 119.66 119.93 1bwy s GLN 95 Ca 0.44 -0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.40 1bwy s GLN 95 Cb -0.13 -1.04 0.06 0.00 1.10 0.00 0.00 33.01 33.00 1bwy s GLN 95 CO 0.20 -1.03 -0.09 0.21 -0.55 0.00 0.00 175.29 174.03 1bwy s LYS 96 N 2.10 2.16 -0.16 1.67 2.36 0.37 -0.36 119.74 127.87 1bwy s LYS 96 Ca 0.10 -1.41 -0.14 0.00 -2.55 0.00 0.00 55.97 51.97 1bwy s LYS 96 Cb -0.16 -2.94 -0.05 0.00 -1.05 0.00 0.00 37.83 33.63 1bwy s LYS 96 CO -0.34 -0.62 -0.28 -2.67 1.55 0.00 0.00 175.35 173.00 1bwy n TRP 97 N 4.42 0.37 0.00 4.03 2.14 -1.20 -0.57 117.44 126.63 1bwy n TRP 97 Ca -0.12 0.16 0.00 0.00 2.07 0.00 0.00 57.50 59.61 1bwy n TRP 97 Cb 0.42 -0.60 0.00 0.00 -0.81 0.00 0.00 31.31 30.32 1bwy n TRP 97 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1bwy n ASN 98 N -4.48 0.00 0.20 -0.67 6.94 -1.26 -4.71 115.26 111.27 1bwy n ASN 98 Ca -0.11 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.51 1bwy n ASN 98 Cb 0.41 0.00 0.39 0.00 -2.36 0.00 0.00 39.78 38.22 1bwy n ASN 98 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1bwy h GLY 99 N 0.00 0.00 -1.71 4.83 0.00 -2.03 -3.45 103.07 100.70 1bwy h GLY 99 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1bwy h GLY 99 CO 0.00 0.00 0.19 -0.86 0.00 0.00 0.00 176.54 175.87 1bwy s GLN 100 N -3.72 1.92 -0.01 4.80 1.03 -1.26 -5.18 119.66 117.24 1bwy s GLN 100 Ca -0.00 -1.21 0.04 0.00 0.04 0.00 0.00 55.36 54.22 1bwy s GLN 100 Cb 0.11 0.59 -0.01 0.00 0.03 0.00 0.00 33.01 33.74 1bwy s GLN 100 CO 0.68 -0.88 -0.11 -1.21 -2.54 0.00 0.00 175.29 171.22 1bwy s GLU 101 N -3.35 0.92 0.55 9.60 8.01 -1.26 -3.23 118.70 129.94 1bwy s GLU 101 Ca 0.15 -0.42 0.07 0.00 0.01 0.00 0.00 54.97 54.77 1bwy s GLU 101 Cb -0.05 -0.89 0.06 0.00 -4.31 0.00 0.00 34.13 28.94 1bwy s GLU 101 CO 0.09 0.24 0.75 -0.08 0.01 0.00 0.00 175.26 176.28 1bwy s THR 102 N -0.30 2.47 0.05 3.63 -1.32 0.51 -4.90 115.64 115.78 1bwy s THR 102 Ca 0.04 -0.90 -0.21 0.00 -1.21 0.00 0.00 61.69 59.41 1bwy s THR 102 Cb -0.05 -2.57 0.05 0.00 -1.51 0.00 0.00 72.50 68.43 1bwy s THR 102 CO -0.00 0.00 0.50 -0.94 -2.21 0.00 0.00 174.62 171.97 1bwy s SER 103 N -4.55 -0.41 0.03 8.08 1.04 -1.25 -0.65 113.70 115.99 1bwy s SER 103 Ca 0.60 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 1bwy s SER 103 Cb -0.08 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1bwy s SER 103 CO 0.38 -0.72 0.24 -1.48 0.98 0.00 0.00 173.24 172.64 1bwy s LEU 104 N -2.02 1.16 -0.01 2.42 0.05 -0.15 -3.29 118.68 116.83 1bwy s LEU 104 Ca -0.05 -0.25 0.05 0.00 0.05 0.00 0.00 54.13 53.93 1bwy s LEU 104 Cb -0.01 1.10 -0.01 0.00 -2.05 0.00 0.00 46.19 45.23 1bwy s LEU 104 CO -0.02 -0.55 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.38 1bwy s VAL 105 N -2.33 1.27 -0.01 1.48 1.01 -1.13 -0.72 120.40 119.97 1bwy s VAL 105 Ca -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1bwy s VAL 105 Cb -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1bwy s VAL 105 CO -0.02 0.36 -0.15 -0.13 0.00 0.00 0.00 175.10 175.15 1bwy s ARG 106 N -0.33 1.24 -0.15 2.72 0.52 0.44 -1.53 118.95 121.86 1bwy s ARG 106 Ca 0.05 -0.57 -0.10 0.00 -0.52 0.00 0.00 55.73 54.60 1bwy s ARG 106 Cb -0.07 -1.20 0.05 0.00 0.52 0.00 0.00 34.95 34.25 1bwy s ARG 106 CO -0.00 0.33 0.36 -2.00 0.02 0.00 0.00 175.30 174.01 1bwy s GLU 107 N -0.42 0.37 -0.27 3.54 2.12 0.01 -0.17 118.70 123.89 1bwy s GLU 107 Ca 0.06 0.64 -0.09 0.00 0.36 0.00 0.00 54.97 55.94 1bwy s GLU 107 Cb -0.06 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 1bwy s GLU 107 CO -0.00 -0.12 0.12 1.41 -0.54 0.00 0.00 175.26 176.12 1bwy s MET 108 N 0.92 3.71 0.43 4.30 -2.45 -1.26 -0.22 119.30 124.73 1bwy s MET 108 Ca -0.06 -0.46 0.03 0.00 -1.25 0.00 0.00 55.69 53.96 1bwy s MET 108 Cb -0.07 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.53 1bwy s MET 108 CO -0.07 -0.21 0.07 0.14 1.05 0.00 0.00 175.02 176.00 1bwy s VAL 109 N 1.66 0.93 0.00 10.11 -7.23 -1.21 -4.99 120.40 119.67 1bwy s VAL 109 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1bwy s VAL 109 Cb -0.16 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1bwy s VAL 109 CO 0.06 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.18 1bwy n ASP 110 N -1.19 0.00 -0.50 4.85 2.03 -1.26 -2.18 116.55 118.30 1bwy n ASP 110 Ca -0.09 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.25 1bwy n ASP 110 Cb 0.66 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.10 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 1.67 3.09 0.27 0.00 -1.26 -5.06 105.19 103.90 1bwy n GLY 111 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.74 2.33 -0.88 1.61 1.02 -0.93 -4.09 119.74 118.06 1bwy s LYS 112 Ca 0.11 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.31 1bwy s LYS 112 Cb 0.11 -1.90 0.14 0.00 -0.52 0.00 0.00 37.83 35.67 1bwy s LYS 112 CO -0.01 0.01 1.03 -1.17 -0.92 0.00 0.00 175.35 174.29 1bwy s LEU 113 N 0.76 5.37 0.34 3.17 0.20 0.36 -3.32 118.68 125.55 1bwy s LEU 113 Ca -0.11 -2.08 -0.27 0.00 0.69 0.00 0.00 54.13 52.36 1bwy s LEU 113 Cb -0.16 -2.36 -0.09 0.00 -0.43 0.00 0.00 46.19 43.15 1bwy s LEU 113 CO 0.02 -0.99 1.04 -0.63 -0.29 0.00 0.00 176.35 175.50 1bwy s ILE 114 N 2.27 3.75 -0.13 6.68 1.01 0.69 -0.69 121.20 134.78 1bwy s ILE 114 Ca 0.28 1.52 -0.14 0.00 0.00 0.00 0.00 60.65 62.31 1bwy s ILE 114 Cb -0.08 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.56 1bwy s ILE 114 CO -0.08 0.19 0.38 -1.48 0.00 0.00 0.00 174.94 173.95 1bwy s LEU 115 N -2.04 0.55 -0.21 2.97 2.34 -0.24 -0.81 118.68 121.24 1bwy s LEU 115 Ca 0.51 0.68 -0.06 0.00 0.06 0.00 0.00 54.13 55.32 1bwy s LEU 115 Cb -0.25 1.34 -0.03 0.00 -0.56 0.00 0.00 46.19 46.69 1bwy s LEU 115 CO 0.32 -0.18 0.03 -0.89 -1.06 0.00 0.00 176.35 174.57 1bwy s THR 116 N -0.03 4.23 -0.71 5.48 2.01 -0.58 -1.34 115.64 124.71 1bwy s THR 116 Ca -0.02 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1bwy s THR 116 Cb -0.03 -2.93 0.21 0.00 0.01 0.00 0.00 72.50 69.76 1bwy s THR 116 CO 0.01 0.41 0.66 0.18 -0.69 0.00 0.00 174.62 175.19 1bwy n LEU 117 N 4.25 3.56 -4.12 4.42 7.99 0.47 -2.85 117.00 130.72 1bwy n LEU 117 Ca -0.17 -5.30 -0.23 0.00 -0.01 0.00 0.00 56.01 50.29 1bwy n LEU 117 Cb 0.52 -0.77 -0.15 0.00 -0.11 0.00 0.00 43.42 42.90 1bwy n LEU 117 CO 0.32 1.86 -0.48 -0.89 -1.51 0.00 0.00 177.39 176.69 1bwy s THR 118 N -1.92 1.21 0.07 -5.08 2.01 -1.21 -1.44 115.64 109.28 1bwy s THR 118 Ca 0.31 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.41 1bwy s THR 118 Cb 0.04 -1.02 0.07 0.00 0.01 0.00 0.00 72.50 71.60 1bwy s THR 118 CO -0.09 0.35 0.64 -2.28 -0.69 0.00 0.00 174.62 172.55 1bwy s HIS 119 N -0.24 -0.59 0.45 4.92 5.04 -1.18 -3.89 115.29 119.80 1bwy s HIS 119 Ca 0.03 0.67 0.27 0.00 -1.54 0.00 0.00 55.06 54.50 1bwy s HIS 119 Cb -0.07 0.49 1.32 0.00 0.04 0.00 0.00 32.58 34.36 1bwy s HIS 119 CO -0.00 -0.74 1.73 0.78 -2.34 0.00 0.00 174.74 174.17 1bwy h GLY 120 N 2.43 0.91 0.18 1.59 0.00 -2.00 0.20 103.07 106.38 1bwy h GLY 120 Ca -0.31 -0.13 0.16 0.00 0.00 0.00 0.00 47.33 47.06 1bwy h GLY 120 CO 0.38 -0.17 0.48 0.00 0.00 0.00 0.00 176.54 177.24 1bwy h THR 121 N 0.21 0.71 -0.92 4.70 1.03 -1.96 -3.44 112.91 113.24 1bwy h THR 121 Ca 0.66 -0.23 0.20 0.00 -0.01 0.00 0.00 66.41 67.04 1bwy h THR 121 Cb 2.05 -0.00 -0.30 0.00 -1.07 0.00 0.00 68.15 68.83 1bwy h THR 121 CO -0.25 0.12 0.62 0.00 -0.01 0.00 0.00 175.52 176.00 1bwy s ALA 122 N -5.94 -2.76 0.28 0.00 0.00 0.72 -4.87 121.76 109.20 1bwy s ALA 122 Ca -0.12 1.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 1bwy s ALA 122 Cb 0.23 -2.02 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 1bwy s ALA 122 CO 0.79 -0.51 1.42 0.08 0.00 0.00 0.00 175.76 177.54 1bwy s VAL 123 N 1.40 2.59 0.06 0.00 1.01 -1.23 -3.08 120.40 121.14 1bwy s VAL 123 Ca -0.06 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 1bwy s VAL 123 Cb -0.02 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1bwy s VAL 123 CO -0.12 0.10 0.32 0.00 0.00 0.00 0.00 175.10 175.40 1bwy s THR 125 N -2.82 0.12 0.12 0.00 -4.23 -1.14 -0.40 115.64 107.30 1bwy s THR 125 Ca -0.03 -1.61 -0.26 0.00 -1.18 0.00 0.00 61.69 58.62 1bwy s THR 125 Cb 0.00 -1.76 0.07 0.00 1.34 0.00 0.00 72.50 72.15 1bwy s THR 125 CO -0.05 -0.55 0.97 0.00 -0.54 0.00 0.00 174.62 174.46 1bwy s ARG 126 N -3.97 1.10 -0.01 3.99 1.70 -0.45 -1.88 118.95 119.43 1bwy s ARG 126 Ca 0.15 -0.59 0.01 0.00 -0.47 0.00 0.00 55.73 54.84 1bwy s ARG 126 Cb 0.06 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 1bwy s ARG 126 CO -0.03 -0.50 -0.03 -0.08 -1.08 0.00 0.00 175.30 173.57 1bwy s THR 127 N -3.21 0.31 0.37 4.99 -1.32 -0.25 -1.08 115.64 115.45 1bwy s THR 127 Ca 0.12 -0.11 -0.07 0.00 -1.21 0.00 0.00 61.69 60.42 1bwy s THR 127 Cb -0.01 -0.31 -0.05 0.00 -1.51 0.00 0.00 72.50 70.62 1bwy s THR 127 CO 0.01 0.12 0.68 -0.31 -2.21 0.00 0.00 174.62 172.90 1bwy s TYR 128 N 0.27 3.49 0.02 9.09 2.02 0.13 -1.90 117.35 130.48 1bwy s TYR 128 Ca -0.03 0.82 0.01 0.00 -0.37 0.00 0.00 57.07 57.51 1bwy s TYR 128 Cb -0.06 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1bwy s TYR 128 CO -0.00 -0.02 -0.05 -1.83 -1.57 0.00 0.00 175.55 172.08 1bwy s GLU 129 N -3.90 0.38 -0.37 -0.62 -1.05 -0.02 -0.49 118.70 112.63 1bwy s GLU 129 Ca 0.47 -0.50 -0.28 0.00 -0.15 0.00 0.00 54.97 54.52 1bwy s GLU 129 Cb -0.10 -0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.43 1bwy s GLU 129 CO 0.33 0.03 1.02 0.21 0.95 0.00 0.00 175.26 177.80 1bwy s LYS 130 N -1.03 3.92 0.03 -4.83 2.20 -1.26 -0.71 119.74 118.05 1bwy s LYS 130 Ca -0.08 0.78 0.16 0.00 -0.36 0.00 0.00 55.97 56.47 1bwy s LYS 130 Cb -0.07 -3.79 -0.16 0.00 -1.51 0.00 0.00 37.83 32.29 1bwy s LYS 130 CO -0.00 -1.00 0.75 0.00 -0.36 0.00 0.00 175.35 174.74 1bwy n GLN 131 N 6.98 0.63 0.00 4.03 10.64 0.44 -4.94 117.38 135.16 1bwy n GLN 131 Ca 0.10 0.22 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1bwy n GLN 131 Cb 0.48 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.07 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23