#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 2.06 0.00 6.55 9.92 -1.26 -0.44 116.55 133.38 1bwy n ASP 2 Ca 0.00 -2.40 0.00 0.00 -0.53 0.00 0.00 54.79 51.86 1bwy n ASP 2 Cb 0.00 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 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 6.60 0.00 -0.60 2.24 0.00 -1.26 -4.97 120.51 122.51 1bwy n ALA 3 Ca 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.76 1bwy n ALA 3 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 1bwy n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bwy n PHE 4 N -2.06 0.00 -3.37 0.00 3.72 0.41 -4.41 117.46 111.75 1bwy n PHE 4 Ca 0.00 -1.01 -0.16 0.00 -0.05 0.00 0.00 57.45 56.23 1bwy n PHE 4 Cb 0.00 -0.90 -0.08 0.00 -0.94 0.00 0.00 39.48 37.55 1bwy n PHE 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1bwy s VAL 5 N 0.86 -0.41 -4.88 -4.37 0.11 -1.20 -3.04 120.40 107.47 1bwy s VAL 5 Ca 0.26 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1bwy s VAL 5 Cb 0.13 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1bwy s VAL 5 CO 0.00 -0.49 0.00 0.61 -3.33 0.00 0.00 175.10 171.89 1bwy n GLY 6 N 4.93 0.92 3.05 6.54 0.00 0.08 -5.02 105.19 115.69 1bwy n GLY 6 Ca 0.03 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.13 0.81 0.23 2.61 2.01 0.32 -0.48 115.64 118.01 1bwy s THR 7 Ca 0.00 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.60 1bwy s THR 7 Cb 0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1bwy s THR 7 CO 0.00 0.21 -0.12 0.26 -0.69 0.00 0.00 174.62 174.28 1bwy s TRP 8 N -0.29 1.80 -0.02 4.92 0.52 0.26 -0.22 118.94 125.91 1bwy s TRP 8 Ca 0.04 -0.61 0.05 0.00 0.02 0.00 0.00 56.10 55.59 1bwy s TRP 8 Cb -0.04 -0.90 -0.01 0.00 -1.15 0.00 0.00 33.47 31.37 1bwy s TRP 8 CO -0.00 0.33 -0.16 -1.59 0.02 0.00 0.00 176.95 175.55 1bwy s LYS 9 N -3.67 1.36 0.45 4.98 0.00 0.17 -1.79 119.74 121.24 1bwy s LYS 9 Ca 0.25 -0.56 -0.24 0.00 0.00 0.00 0.00 55.97 55.42 1bwy s LYS 9 Cb 0.01 -1.28 -0.07 0.00 0.00 0.00 0.00 37.83 36.48 1bwy s LYS 9 CO 0.09 0.32 1.22 -1.17 0.00 0.00 0.00 175.35 175.80 1bwy s LEU 10 N -0.28 4.05 0.00 2.77 0.20 -0.64 -0.57 118.68 124.21 1bwy s LEU 10 Ca 0.04 2.44 0.00 0.00 0.69 0.00 0.00 54.13 57.30 1bwy s LEU 10 Cb -0.07 -4.16 0.00 0.00 -0.43 0.00 0.00 46.19 41.53 1bwy s LEU 10 CO -0.00 -0.97 0.00 0.55 -0.29 0.00 0.00 176.35 175.64 1bwy n VAL 11 N -0.38 0.00 -4.16 1.68 3.14 0.29 -4.84 118.33 114.06 1bwy n VAL 11 Ca 0.07 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.30 1bwy n VAL 11 Cb 0.47 -0.71 -0.11 0.00 -1.06 0.00 0.00 33.84 32.42 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 -2.97 1.41 0.00 6.55 -1.08 -1.16 -5.01 116.67 114.41 1bwy s ASP 12 Ca 0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 52.55 51.27 1bwy s ASP 12 Cb 0.00 0.00 0.00 0.00 -1.46 0.00 0.00 42.92 41.46 1bwy s ASP 12 CO 0.00 -0.23 0.71 -0.24 0.52 0.00 0.00 175.17 175.93 1bwy n SER 13 N 0.75 -0.60 -4.69 -0.34 2.88 -1.19 -2.21 113.62 108.23 1bwy n SER 13 Ca -0.17 -1.42 -0.39 0.00 -1.33 0.00 0.00 58.87 55.56 1bwy n SER 13 Cb 0.57 0.18 0.04 0.00 -0.75 0.00 0.00 64.21 64.25 1bwy n SER 13 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bwy n LYS 14 N 0.00 1.39 -0.85 -1.46 2.85 -1.26 -2.52 118.16 116.32 1bwy n LYS 14 Ca -0.17 0.52 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1bwy n LYS 14 Cb 0.56 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1bwy n LYS 14 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1bwy n ASN 15 N -0.76 -2.66 -0.33 -5.58 4.13 -1.26 -4.06 115.26 104.75 1bwy n ASN 15 Ca 0.11 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.40 1bwy n ASN 15 Cb 0.45 -2.07 0.21 0.00 -1.54 0.00 0.00 39.78 36.82 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1bwy h PHE 16 N 0.00 1.11 0.03 3.10 3.04 -1.83 -0.06 116.94 122.33 1bwy h PHE 16 Ca 0.00 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1bwy h PHE 16 Cb 0.35 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1bwy h PHE 16 CO 0.22 0.59 -0.02 0.22 -2.02 0.00 0.00 178.31 177.31 1bwy h ASP 17 N 1.10 -0.04 -0.55 0.41 1.82 -1.81 -3.01 116.42 114.36 1bwy h ASP 17 Ca 0.40 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 57.10 1bwy h ASP 17 Cb 0.14 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.09 1bwy h ASP 17 CO -0.14 -0.02 -0.28 -0.67 -1.61 0.00 0.00 179.24 176.52 1bwy n ASP 18 N -2.17 -0.48 -0.21 2.28 2.03 -1.13 -0.43 116.55 116.44 1bwy n ASP 18 Ca -0.00 0.96 -0.06 0.00 0.52 0.00 0.00 54.79 56.21 1bwy n ASP 18 Cb 0.02 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -0.98 -0.36 -0.67 3.20 -1.00 -1.36 116.97 115.80 1bwy h TYR 19 Ca 0.13 0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.92 1bwy h TYR 19 Cb 0.27 0.52 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1bwy h TYR 19 CO -0.53 -0.39 -0.40 0.52 -1.64 0.00 0.00 178.16 175.73 1bwy h MET 20 N -0.17 0.90 -2.18 1.82 2.86 -0.60 0.08 114.93 117.64 1bwy h MET 20 Ca 0.23 -0.49 -0.08 0.00 -2.06 0.00 0.00 59.70 57.30 1bwy h MET 20 Cb 0.55 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1bwy h MET 20 CO -0.69 1.14 -0.07 1.17 1.06 0.00 0.00 176.91 179.52 1bwy n LYS 21 N -4.08 1.10 0.00 1.72 4.81 -0.19 -0.91 118.16 120.61 1bwy n LYS 21 Ca -0.03 -0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 1bwy n LYS 21 Cb 0.55 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1bwy n LYS 21 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bwy n SER 22 N 2.23 0.00 -0.05 3.14 7.64 -1.11 -4.85 113.62 120.62 1bwy n SER 22 Ca 0.17 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.12 1bwy n SER 22 Cb 0.52 0.18 0.43 0.00 -1.01 0.00 0.00 64.21 64.33 1bwy n SER 22 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1bwy h LEU 23 N 0.00 0.47 -0.38 -3.43 3.38 -0.88 -3.47 115.31 111.01 1bwy h LEU 23 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bwy h LEU 23 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1bwy h LEU 23 CO 0.00 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1bwy n GLY 24 N -1.48 0.75 0.07 0.83 0.00 -0.57 -4.99 105.19 99.79 1bwy n GLY 24 Ca 0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1bwy n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bwy n VAL 25 N -0.46 0.98 -0.10 1.61 0.31 -0.38 -4.99 118.33 115.31 1bwy n VAL 25 Ca 0.00 -0.60 -0.04 0.00 -0.01 0.00 0.00 64.34 63.68 1bwy n VAL 25 Cb 0.13 -0.62 -0.01 0.00 -0.91 0.00 0.00 33.84 32.43 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 26 N 2.12 0.00 2.74 2.92 0.00 -0.09 -4.91 105.19 107.97 1bwy n GLY 26 Ca -0.23 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 0.38 -1.72 -1.92 1.61 -1.74 -1.26 -4.94 117.46 107.87 1bwy n PHE 27 Ca 0.03 -1.21 -0.41 0.00 -0.56 0.00 0.00 57.45 55.30 1bwy n PHE 27 Cb -0.00 0.60 -0.01 0.00 1.52 0.00 0.00 39.48 41.59 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1bwy n ALA 28 N -1.29 6.25 0.03 1.98 0.00 -1.26 -3.94 120.51 122.28 1bwy n ALA 28 Ca -0.11 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1bwy n ALA 28 Cb 0.43 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 3.26 0.00 -0.44 0.00 -1.04 -1.26 -4.92 114.28 109.88 1bwy n THR 29 Ca 0.56 0.00 0.36 0.00 -2.04 0.00 0.00 64.05 62.93 1bwy n THR 29 Cb 0.31 -0.14 0.65 0.00 -1.82 0.00 0.00 70.33 69.33 1bwy n THR 29 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1bwy h ARG 30 N 0.00 0.12 -0.15 -2.82 -0.00 -1.86 0.23 114.38 109.91 1bwy h ARG 30 Ca 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 59.98 60.00 1bwy h ARG 30 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 29.94 1bwy h ARG 30 CO 0.00 0.08 0.10 -0.56 -0.00 0.00 0.00 179.97 179.59 1bwy h GLN 31 N 0.13 0.07 0.08 0.08 3.07 -1.92 -1.40 115.11 115.22 1bwy h GLN 31 Ca 0.76 -0.00 -0.35 0.00 0.09 0.00 0.00 58.65 59.14 1bwy h GLN 31 Cb 2.46 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 29.97 1bwy h GLN 31 CO -0.31 0.05 -2.01 0.28 0.09 0.00 0.00 178.83 176.92 1bwy n VAL 32 N -4.51 1.71 -0.57 1.86 0.31 0.58 -4.66 118.33 113.05 1bwy n VAL 32 Ca 0.00 -0.68 -0.28 0.00 -0.01 0.00 0.00 64.34 63.37 1bwy n VAL 32 Cb 0.18 -1.52 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 1bwy n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 33 N 1.94 1.84 0.00 2.92 0.00 0.13 -0.71 105.19 111.31 1bwy n GLY 33 Ca -0.31 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 6.59 0.00 -0.02 1.61 0.23 -1.25 -4.52 115.26 117.90 1bwy n ASN 34 Ca 0.34 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 54.31 1bwy n ASN 34 Cb 0.24 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.80 1bwy n ASN 34 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1bwy n MET 35 N -0.42 0.64 -0.55 -3.83 1.56 0.11 -4.86 117.12 109.77 1bwy n MET 35 Ca 0.00 0.29 -0.29 0.00 -0.27 0.00 0.00 57.70 57.43 1bwy n MET 35 Cb 0.00 -1.79 0.27 0.00 2.15 0.00 0.00 33.22 33.85 1bwy n MET 35 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1bwy n THR 36 N -3.05 0.00 -3.66 1.12 5.66 -0.67 -5.00 114.28 108.68 1bwy n THR 36 Ca -0.18 -0.20 -0.35 0.00 -3.05 0.00 0.00 64.05 60.27 1bwy n THR 36 Cb 1.05 -1.07 -0.07 0.00 -1.55 0.00 0.00 70.33 68.69 1bwy n THR 36 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1bwy s LYS 37 N -5.18 3.18 0.37 1.09 1.02 -1.26 -5.03 119.74 113.93 1bwy s LYS 37 Ca 0.67 -3.25 -0.27 0.00 0.02 0.00 0.00 55.97 53.13 1bwy s LYS 37 Cb -0.09 -3.90 -0.10 0.00 -0.52 0.00 0.00 37.83 33.21 1bwy s LYS 37 CO 0.54 -1.26 1.36 -1.25 -0.92 0.00 0.00 175.35 173.82 1bwy s PRO 38 N -1.31 4.12 0.07 -1.68 0.04 -1.26 -4.87 135.00 130.12 1bwy s PRO 38 Ca 0.27 2.31 0.09 0.00 0.04 0.00 0.00 61.00 63.71 1bwy s PRO 38 Cb -0.08 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 1bwy s PRO 38 CO -0.12 -0.42 -0.24 0.95 0.04 0.00 0.00 177.00 177.20 1bwy s THR 39 N -1.17 2.00 -0.12 1.26 -4.23 -1.18 -1.62 115.64 110.58 1bwy s THR 39 Ca 0.53 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.55 1bwy s THR 39 Cb -0.41 -1.74 0.06 0.00 1.34 0.00 0.00 72.50 71.75 1bwy s THR 39 CO 0.55 0.21 0.22 -0.89 -0.54 0.00 0.00 174.62 174.17 1bwy s THR 40 N -0.91 -0.35 -0.14 3.99 2.01 -0.74 -2.86 115.64 116.64 1bwy s THR 40 Ca 0.11 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 1bwy s THR 40 Cb -0.10 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1bwy s THR 40 CO 0.03 0.09 0.44 -0.63 -0.69 0.00 0.00 174.62 173.87 1bwy s ILE 41 N 2.37 5.20 -0.32 1.82 1.01 -1.08 -0.58 121.20 129.62 1bwy s ILE 41 Ca 0.03 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.49 1bwy s ILE 41 Cb -0.12 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.60 1bwy s ILE 41 CO -0.08 0.31 0.07 -0.63 0.00 0.00 0.00 174.94 174.61 1bwy s ILE 42 N 0.79 3.58 -0.30 2.92 -1.09 0.37 -0.63 121.20 126.84 1bwy s ILE 42 Ca 0.24 -1.12 0.04 0.00 -2.23 0.00 0.00 60.65 57.57 1bwy s ILE 42 Cb -0.15 -2.99 0.08 0.00 -1.58 0.00 0.00 42.46 37.82 1bwy s ILE 42 CO 0.09 -0.10 -0.02 -0.70 -1.23 0.00 0.00 174.94 172.98 1bwy s GLU 43 N 1.38 1.81 -0.29 2.79 2.12 -0.10 -0.74 118.70 125.68 1bwy s GLU 43 Ca -0.02 -1.63 -0.28 0.00 0.36 0.00 0.00 54.97 53.40 1bwy s GLU 43 Cb -0.19 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 1bwy s GLU 43 CO 0.01 -0.77 1.95 0.54 -0.54 0.00 0.00 175.26 176.45 1bwy s VAL 44 N 1.00 3.31 -1.52 3.70 0.11 -1.17 -0.99 120.40 124.84 1bwy s VAL 44 Ca 0.02 0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 59.30 1bwy s VAL 44 Cb -0.19 -3.42 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 1bwy s VAL 44 CO -0.07 -0.26 2.74 0.59 -3.33 0.00 0.00 175.10 174.77 1bwy n ASN 45 N 10.77 8.44 0.00 3.54 5.03 0.14 -4.87 115.26 138.31 1bwy n ASN 45 Ca 0.25 -2.78 0.00 0.00 0.87 0.00 0.00 54.58 52.92 1bwy n ASN 45 Cb 0.46 -1.49 0.00 0.00 -1.02 0.00 0.00 39.78 37.73 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bwy n GLY 46 N 2.92 0.29 0.12 7.41 0.00 -1.26 -1.24 105.19 113.42 1bwy n GLY 46 Ca 0.72 0.76 -0.18 0.00 0.00 0.00 0.00 46.02 47.32 1bwy n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bwy h ASP 47 N 0.00 0.42 -5.95 1.61 2.03 -2.01 -3.48 116.42 109.04 1bwy h ASP 47 Ca 0.00 -0.64 -0.41 0.00 -0.73 0.00 0.00 57.03 55.25 1bwy h ASP 47 Cb 0.00 -0.14 0.01 0.00 -0.83 0.00 0.00 39.33 38.37 1bwy h ASP 47 CO 0.00 1.54 -0.09 0.35 -1.03 0.00 0.00 179.24 180.02 1bwy n THR 48 N -3.46 0.00 -3.77 1.15 -2.24 -0.37 -4.79 114.28 100.79 1bwy n THR 48 Ca -0.20 -1.61 -0.13 0.00 -2.27 0.00 0.00 64.05 59.84 1bwy n THR 48 Cb 1.05 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1bwy n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bwy s VAL 49 N -1.98 0.02 -0.06 2.28 0.11 -0.03 0.26 120.40 121.00 1bwy s VAL 49 Ca 0.44 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 1bwy s VAL 49 Cb -0.04 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1bwy s VAL 49 CO 0.28 -0.11 -0.19 -0.51 -3.33 0.00 0.00 175.10 171.25 1bwy s ILE 50 N -0.41 1.59 -0.24 7.04 2.07 -0.16 -0.52 121.20 130.57 1bwy s ILE 50 Ca -0.05 -0.78 -0.08 0.00 -1.41 0.00 0.00 60.65 58.33 1bwy s ILE 50 Cb -0.04 -1.38 -0.04 0.00 0.13 0.00 0.00 42.46 41.13 1bwy s ILE 50 CO 0.02 0.46 0.09 -0.51 -1.91 0.00 0.00 174.94 173.08 1bwy s ILE 51 N 0.23 4.65 -0.49 2.00 -1.16 -0.01 -0.92 121.20 125.49 1bwy s ILE 51 Ca -0.10 -0.06 -0.14 0.00 -0.51 0.00 0.00 60.65 59.84 1bwy s ILE 51 Cb -0.14 -3.16 0.10 0.00 0.61 0.00 0.00 42.46 39.87 1bwy s ILE 51 CO 0.04 0.36 0.42 -0.54 -2.81 0.00 0.00 174.94 172.41 1bwy s LYS 52 N 1.28 2.89 -0.97 3.50 1.02 0.20 -0.66 119.74 127.00 1bwy s LYS 52 Ca 0.05 -1.56 -0.20 0.00 0.02 0.00 0.00 55.97 54.29 1bwy s LYS 52 Cb -0.15 -4.14 -0.10 0.00 -0.52 0.00 0.00 37.83 32.92 1bwy s LYS 52 CO 0.04 -1.16 2.01 0.25 -0.92 0.00 0.00 175.35 175.57 1bwy n THR 53 N 5.16 2.28 -2.61 2.17 -2.24 0.05 -2.62 114.28 116.47 1bwy n THR 53 Ca -0.12 -2.00 -0.42 0.00 -2.27 0.00 0.00 64.05 59.23 1bwy n THR 53 Cb 0.42 -2.40 -0.03 0.00 -2.10 0.00 0.00 70.33 66.22 1bwy n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwy s GLN 54 N 4.54 4.48 0.00 -0.78 -2.07 -1.13 -0.94 119.66 123.76 1bwy s GLN 54 Ca 0.55 1.52 0.00 0.00 -1.82 0.00 0.00 55.36 55.61 1bwy s GLN 54 Cb 0.14 -3.46 0.00 0.00 -1.09 0.00 0.00 33.01 28.60 1bwy s GLN 54 CO 0.06 -0.19 0.00 0.45 -1.32 0.00 0.00 175.29 174.29 1bwy n SER 55 N 4.26 0.00 -4.07 12.60 2.88 -1.26 -3.07 113.62 124.96 1bwy n SER 55 Ca 0.08 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1bwy n SER 55 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1bwy n SER 55 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1bwy n THR 56 N 0.00 0.00 -2.92 2.46 -1.04 -1.25 -0.65 114.28 110.88 1bwy n THR 56 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 1bwy n THR 56 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1bwy n THR 56 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1bwy n PHE 57 N 4.65 -1.59 -0.13 -1.42 3.01 -1.26 -4.70 117.46 116.02 1bwy n PHE 57 Ca 0.11 0.64 0.01 0.00 1.01 0.00 0.00 57.45 59.23 1bwy n PHE 57 Cb 0.44 -4.01 -0.01 0.00 -0.01 0.00 0.00 39.48 35.89 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1bwy n LYS 58 N -3.05 -0.32 -2.12 -1.08 4.81 0.18 -4.73 118.16 111.85 1bwy n LYS 58 Ca -0.16 0.26 -0.41 0.00 -0.87 0.00 0.00 58.31 57.14 1bwy n LYS 58 Cb 0.61 -0.36 -0.03 0.00 0.02 0.00 0.00 35.03 35.27 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 -4.08 5.72 0.45 3.14 0.01 -1.26 -4.00 114.94 114.92 1bwy s ASN 59 Ca 0.00 0.65 0.03 0.00 -0.71 0.00 0.00 52.86 52.83 1bwy s ASN 59 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1bwy s ASN 59 CO 0.00 -1.97 0.06 0.42 -1.51 0.00 0.00 177.10 174.10 1bwy s THR 60 N 7.52 0.96 -0.15 1.60 -4.23 -0.12 -4.95 115.64 116.27 1bwy s THR 60 Ca 0.67 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.92 1bwy s THR 60 Cb -0.15 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.43 1bwy s THR 60 CO 0.26 0.00 0.65 -0.70 -0.54 0.00 0.00 174.62 174.29 1bwy s GLU 61 N -3.79 0.90 -0.07 3.99 2.12 -1.26 -0.77 118.70 119.81 1bwy s GLU 61 Ca 0.17 0.56 -0.01 0.00 0.36 0.00 0.00 54.97 56.05 1bwy s GLU 61 Cb 0.03 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.87 1bwy s GLU 61 CO 0.10 -0.20 0.00 0.42 -0.54 0.00 0.00 175.26 175.03 1bwy s ILE 62 N -0.44 0.39 -0.05 -3.70 1.01 0.17 -4.95 121.20 113.64 1bwy s ILE 62 Ca -0.06 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 1bwy s ILE 62 Cb -0.03 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 1bwy s ILE 62 CO 0.05 0.26 0.58 -0.94 0.00 0.00 0.00 174.94 174.89 1bwy s SER 63 N 1.96 6.90 0.06 3.58 1.04 -1.26 -0.83 113.70 125.15 1bwy s SER 63 Ca 0.05 1.07 -0.08 0.00 0.48 0.00 0.00 55.95 57.47 1bwy s SER 63 Cb -0.12 -2.35 -0.00 0.00 0.10 0.00 0.00 66.02 63.65 1bwy s SER 63 CO -0.05 0.04 0.18 0.72 0.98 0.00 0.00 173.24 175.10 1bwy s PHE 64 N 0.19 0.13 -0.22 5.02 -0.71 0.32 -5.00 117.98 117.71 1bwy s PHE 64 Ca 0.31 -0.47 0.01 0.00 -1.04 0.00 0.00 56.93 55.74 1bwy s PHE 64 Cb -0.17 -0.06 0.05 0.00 -1.21 0.00 0.00 43.02 41.62 1bwy s PHE 64 CO 0.15 -0.48 -0.08 0.21 -1.34 0.00 0.00 175.22 173.68 1bwy s LYS 65 N -3.25 1.86 -0.34 1.99 2.47 -1.26 -0.85 119.74 120.35 1bwy s LYS 65 Ca 0.00 -0.94 -0.35 0.00 -1.56 0.00 0.00 55.97 53.12 1bwy s LYS 65 Cb 0.02 -2.52 -0.11 0.00 -1.46 0.00 0.00 37.83 33.76 1bwy s LYS 65 CO -0.08 -0.51 2.18 1.47 0.16 0.00 0.00 175.35 178.58 1bwy n LEU 66 N 4.66 2.15 0.00 5.43 -0.00 -1.26 -2.52 117.00 125.45 1bwy n LEU 66 Ca -0.13 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 1bwy n LEU 66 Cb 0.45 -1.26 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 1bwy n LEU 66 CO 0.19 -0.72 0.00 0.61 -0.00 0.00 0.00 177.39 177.47 1bwy n GLY 67 N 6.51 1.22 3.18 1.47 0.00 0.11 -4.89 105.19 112.79 1bwy n GLY 67 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.00 0.08 -0.10 1.61 1.01 -0.90 -5.01 120.40 115.09 1bwy s VAL 68 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1bwy s VAL 68 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1bwy s VAL 68 CO 0.00 -0.38 -0.02 -0.70 0.00 0.00 0.00 175.10 174.00 1bwy s GLU 69 N -1.79 3.15 0.11 2.72 2.12 -1.26 -1.19 118.70 122.57 1bwy s GLU 69 Ca -0.11 -0.46 -0.06 0.00 0.36 0.00 0.00 54.97 54.69 1bwy s GLU 69 Cb -0.05 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.57 1bwy s GLU 69 CO 0.01 0.56 0.31 1.97 -0.54 0.00 0.00 175.26 177.56 1bwy n PHE 70 N 2.58 -1.27 -4.14 5.30 -1.74 0.10 -4.99 117.46 113.30 1bwy n PHE 70 Ca -0.18 -0.59 -0.35 0.00 -0.56 0.00 0.00 57.45 55.78 1bwy n PHE 70 Cb 0.53 0.29 -0.13 0.00 1.52 0.00 0.00 39.48 41.69 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 -1.78 4.51 0.25 5.98 -1.08 -1.26 -0.44 116.67 122.84 1bwy s ASP 71 Ca 0.06 -0.28 0.09 0.00 -0.52 0.00 0.00 52.55 51.90 1bwy s ASP 71 Cb -0.01 -1.76 -0.04 0.00 -1.46 0.00 0.00 42.92 39.64 1bwy s ASP 71 CO 0.03 0.06 -0.01 -1.61 0.52 0.00 0.00 175.17 174.16 1bwy s GLU 72 N 1.02 2.29 -0.28 4.34 2.02 0.46 -4.95 118.70 123.61 1bwy s GLU 72 Ca 0.01 -1.36 -0.01 0.00 0.02 0.00 0.00 54.97 53.63 1bwy s GLU 72 Cb -0.15 -2.19 0.13 0.00 0.10 0.00 0.00 34.13 32.03 1bwy s GLU 72 CO 0.01 0.38 0.29 0.99 0.02 0.00 0.00 175.26 176.95 1bwy s THR 73 N -2.19 -0.40 0.18 3.63 2.01 -1.26 -1.00 115.64 116.62 1bwy s THR 73 Ca 0.30 -0.43 0.10 0.00 0.31 0.00 0.00 61.69 61.97 1bwy s THR 73 Cb -0.07 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1bwy s THR 73 CO 0.19 -0.43 -0.22 0.28 -0.69 0.00 0.00 174.62 173.75 1bwy s THR 74 N 2.36 2.17 0.42 -0.82 -1.32 -0.27 -4.93 115.64 113.26 1bwy s THR 74 Ca 0.09 -1.99 0.10 0.00 -1.21 0.00 0.00 61.69 58.69 1bwy s THR 74 Cb -0.14 -2.02 0.21 0.00 -1.51 0.00 0.00 72.50 69.03 1bwy s THR 74 CO -0.30 -0.18 2.00 0.00 -2.21 0.00 0.00 174.62 173.93 1bwy h ALA 75 N 3.23 1.65 -0.00 11.08 0.00 -1.87 0.49 119.26 133.84 1bwy h ALA 75 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1bwy h ALA 75 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bwy h ALA 75 CO 0.49 0.26 -0.14 -0.40 0.00 0.00 0.00 179.25 179.46 1bwy n ASP 76 N -4.38 0.60 0.00 0.00 5.75 -1.26 -4.29 116.55 112.97 1bwy n ASP 76 Ca -0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1bwy n ASP 76 Cb 0.18 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.87 0.00 0.00 -1.12 -0.08 -1.18 -4.93 116.55 108.36 1bwy n ASP 77 Ca 0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1bwy n ASP 77 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1bwy n ARG 78 N 0.00 0.00 -2.67 -0.67 3.00 0.17 -4.69 116.66 111.81 1bwy n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.42 1bwy n ARG 78 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.75 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1bwy s LYS 79 N 0.00 4.49 -0.10 5.56 2.20 -1.26 -1.11 119.74 129.51 1bwy s LYS 79 Ca 0.00 1.45 -0.09 0.00 -0.36 0.00 0.00 55.97 56.97 1bwy s LYS 79 Cb 0.00 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1bwy s LYS 79 CO 0.00 -0.19 0.27 0.14 -0.36 0.00 0.00 175.35 175.22 1bwy s VAL 80 N 1.45 -0.00 -0.13 4.02 -7.23 -0.17 -4.88 120.40 113.46 1bwy s VAL 80 Ca 0.51 0.01 -0.26 0.00 -1.81 0.00 0.00 61.98 60.43 1bwy s VAL 80 Cb -0.21 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 1bwy s VAL 80 CO 0.24 0.00 0.87 -0.75 -0.31 0.00 0.00 175.10 175.15 1bwy s LYS 81 N 0.22 4.36 0.07 4.82 2.20 0.83 -0.40 119.74 131.84 1bwy s LYS 81 Ca -0.01 1.12 0.08 0.00 -0.36 0.00 0.00 55.97 56.80 1bwy s LYS 81 Cb -0.02 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1bwy s LYS 81 CO -0.00 -0.27 -0.20 0.45 -0.36 0.00 0.00 175.35 174.96 1bwy s SER 82 N 1.10 2.45 -0.05 1.43 0.15 0.41 -0.03 113.70 119.16 1bwy s SER 82 Ca 0.41 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 56.54 1bwy s SER 82 Cb -0.17 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1bwy s SER 82 CO 0.15 0.11 -0.24 -0.51 1.20 0.00 0.00 173.24 173.94 1bwy s ILE 83 N -0.96 2.13 0.00 6.45 -1.16 -0.01 -0.72 121.20 126.93 1bwy s ILE 83 Ca 0.07 -1.05 0.04 0.00 -0.51 0.00 0.00 60.65 59.19 1bwy s ILE 83 Cb -0.09 -1.76 -0.01 0.00 0.61 0.00 0.00 42.46 41.20 1bwy s ILE 83 CO 0.03 0.57 -0.11 0.54 -2.81 0.00 0.00 174.94 173.16 1bwy s VAL 84 N -0.29 0.90 0.05 4.00 0.11 -0.33 -0.59 120.40 124.25 1bwy s VAL 84 Ca 0.00 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1bwy s VAL 84 Cb -0.13 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1bwy s VAL 84 CO 0.02 0.16 0.12 1.07 -3.33 0.00 0.00 175.10 173.14 1bwy n THR 85 N 2.55 0.00 -4.72 5.04 5.66 -0.22 0.04 114.28 122.63 1bwy n THR 85 Ca -0.15 -0.13 -0.25 0.00 -3.05 0.00 0.00 64.05 60.47 1bwy n THR 85 Cb 0.56 0.14 -0.16 0.00 -1.55 0.00 0.00 70.33 69.32 1bwy n THR 85 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1bwy s LEU 86 N 0.00 1.88 -0.67 1.09 0.05 -1.26 -0.32 118.68 119.44 1bwy s LEU 86 Ca 0.02 -0.31 -0.07 0.00 0.05 0.00 0.00 54.13 53.83 1bwy s LEU 86 Cb -0.01 -0.86 0.18 0.00 -2.05 0.00 0.00 46.19 43.45 1bwy s LEU 86 CO 0.02 0.13 0.53 1.51 -0.55 0.00 0.00 176.35 177.99 1bwy s ASP 87 N 0.08 5.73 0.00 1.48 -4.77 -0.16 -4.91 116.67 114.12 1bwy s ASP 87 Ca -0.04 -2.74 0.00 0.00 -3.30 0.00 0.00 52.55 46.47 1bwy s ASP 87 Cb -0.11 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 39.75 1bwy s ASP 87 CO 0.02 -0.45 0.00 0.61 0.70 0.00 0.00 175.17 176.04 1bwy n GLY 88 N 3.73 1.12 0.24 2.12 0.00 -1.26 -2.01 105.19 109.14 1bwy n GLY 88 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.29 3.66 -0.02 0.00 -1.26 -5.09 105.19 102.18 1bwy n GLY 89 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 2.12 -0.23 1.61 3.01 -0.85 -4.74 119.74 120.66 1bwy s LYS 90 Ca 0.00 -1.76 0.00 0.00 -1.01 0.00 0.00 55.97 53.20 1bwy s LYS 90 Cb 0.00 -1.95 0.03 0.00 -1.01 0.00 0.00 37.83 34.91 1bwy s LYS 90 CO 0.00 0.08 -0.11 -1.17 0.51 0.00 0.00 175.35 174.67 1bwy s LEU 91 N -3.76 2.96 -0.27 3.17 0.20 0.27 -0.99 118.68 120.26 1bwy s LEU 91 Ca 0.36 -0.92 -0.19 0.00 0.69 0.00 0.00 54.13 54.07 1bwy s LEU 91 Cb 0.01 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.16 1bwy s LEU 91 CO 0.20 -0.11 0.57 0.68 -0.29 0.00 0.00 176.35 177.41 1bwy s VAL 92 N 1.27 5.02 -0.30 1.68 -7.23 0.56 -0.36 120.40 121.04 1bwy s VAL 92 Ca -0.00 0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 61.08 1bwy s VAL 92 Cb -0.16 -3.90 0.04 0.00 0.56 0.00 0.00 36.38 32.92 1bwy s VAL 92 CO -0.07 0.02 0.02 -2.28 -0.31 0.00 0.00 175.10 172.48 1bwy s HIS 93 N 2.43 3.23 -0.10 2.82 5.04 -1.15 -1.06 115.29 126.50 1bwy s HIS 93 Ca 0.23 -1.68 0.01 0.00 -1.54 0.00 0.00 55.06 52.09 1bwy s HIS 93 Cb -0.15 -2.14 -0.02 0.00 0.04 0.00 0.00 32.58 30.30 1bwy s HIS 93 CO 0.09 -0.76 -0.14 0.08 -2.34 0.00 0.00 174.74 171.67 1bwy s VAL 94 N 1.31 2.98 -0.24 0.89 1.01 0.24 0.31 120.40 126.90 1bwy s VAL 94 Ca -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1bwy s VAL 94 Cb -0.19 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1bwy s VAL 94 CO -0.00 0.55 0.04 -1.58 0.00 0.00 0.00 175.10 174.11 1bwy s GLN 95 N -0.01 0.84 0.10 2.72 0.74 0.13 -0.83 119.66 123.36 1bwy s GLN 95 Ca -0.04 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.66 1bwy s GLN 95 Cb -0.14 -2.15 -0.04 0.00 1.10 0.00 0.00 33.01 31.78 1bwy s GLN 95 CO 0.04 -0.76 0.08 0.21 -0.55 0.00 0.00 175.29 174.31 1bwy s LYS 96 N 1.69 2.82 0.14 1.67 2.47 0.96 -0.38 119.74 129.11 1bwy s LYS 96 Ca 0.02 -0.77 0.00 0.00 -1.56 0.00 0.00 55.97 53.66 1bwy s LYS 96 Cb -0.17 -2.67 0.00 0.00 -1.46 0.00 0.00 37.83 33.53 1bwy s LYS 96 CO -0.14 0.54 0.00 -2.67 0.16 0.00 0.00 175.35 173.24 1bwy n TRP 97 N 0.27 -0.97 0.00 4.03 2.14 -1.17 -0.12 117.44 121.62 1bwy n TRP 97 Ca -0.09 0.17 0.00 0.00 2.07 0.00 0.00 57.50 59.65 1bwy n TRP 97 Cb 0.52 0.29 0.00 0.00 -0.81 0.00 0.00 31.31 31.32 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 -3.21 0.00 0.21 -0.67 6.94 -1.26 -4.85 115.26 112.42 1bwy n ASN 98 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.64 1bwy n ASN 98 Cb 0.00 0.00 0.43 0.00 -2.36 0.00 0.00 39.78 37.85 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 -1.14 4.83 0.00 -2.04 -3.45 103.07 101.26 1bwy h GLY 99 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1bwy h GLY 99 CO 0.00 0.00 -0.12 0.61 0.00 0.00 0.00 176.54 177.03 1bwy n GLN 100 N -3.52 0.53 -2.81 4.80 -0.00 -1.26 -5.14 117.38 109.99 1bwy n GLN 100 Ca -0.00 -2.17 -0.06 0.00 -0.00 0.00 0.00 57.00 54.76 1bwy n GLN 100 Cb 0.44 2.08 0.02 0.00 -0.00 0.00 0.00 30.24 32.77 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 -0.45 0.72 -3.89 2.61 0.28 -1.26 -3.06 120.64 115.59 1bwy n GLU 101 Ca 0.01 -1.46 -0.10 0.00 -0.16 0.00 0.00 57.16 55.45 1bwy n GLU 101 Cb 0.45 1.79 -0.09 0.00 1.43 0.00 0.00 31.44 35.02 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 -2.43 0.11 0.46 3.84 -1.32 0.49 -3.00 115.64 113.79 1bwy s THR 102 Ca 0.11 -0.94 -0.12 0.00 -1.21 0.00 0.00 61.69 59.53 1bwy s THR 102 Cb -0.03 -0.76 -0.07 0.00 -1.51 0.00 0.00 72.50 70.13 1bwy s THR 102 CO 0.08 -0.52 0.86 -0.94 -2.21 0.00 0.00 174.62 171.89 1bwy s SER 103 N -1.91 6.52 -0.39 8.08 1.04 0.27 -0.69 113.70 126.63 1bwy s SER 103 Ca -0.08 1.28 0.10 0.00 0.48 0.00 0.00 55.95 57.73 1bwy s SER 103 Cb -0.03 -2.39 0.30 0.00 0.10 0.00 0.00 66.02 64.00 1bwy s SER 103 CO -0.03 -0.50 0.66 0.18 0.98 0.00 0.00 173.24 174.54 1bwy n LEU 104 N -1.53 0.18 -4.77 2.42 4.32 0.15 -3.17 117.00 114.60 1bwy n LEU 104 Ca 0.04 -4.71 -0.40 0.00 -0.02 0.00 0.00 56.01 50.92 1bwy n LEU 104 Cb 0.54 0.70 -0.02 0.00 -1.62 0.00 0.00 43.42 43.02 1bwy n LEU 104 CO 0.48 2.17 0.92 0.54 -1.22 0.00 0.00 177.39 180.27 1bwy s VAL 105 N -1.57 2.91 -0.09 4.08 0.11 -1.13 -2.94 120.40 121.77 1bwy s VAL 105 Ca 0.36 0.86 0.03 0.00 -2.93 0.00 0.00 61.98 60.30 1bwy s VAL 105 Cb 0.26 -3.53 0.01 0.00 -1.53 0.00 0.00 36.38 31.59 1bwy s VAL 105 CO -0.10 0.16 -0.17 -0.13 -3.33 0.00 0.00 175.10 171.53 1bwy s ARG 106 N -1.94 2.31 -0.02 1.54 0.52 0.52 -0.77 118.95 121.12 1bwy s ARG 106 Ca 0.52 -0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 1bwy s ARG 106 Cb -0.36 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1bwy s ARG 106 CO 0.47 0.04 0.05 -2.00 0.02 0.00 0.00 175.30 173.89 1bwy s GLU 107 N 0.67 0.10 -0.46 3.54 2.12 -1.09 -0.57 118.70 123.01 1bwy s GLU 107 Ca -0.13 -0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.07 1bwy s GLU 107 Cb -0.16 0.05 0.09 0.00 0.26 0.00 0.00 34.13 34.37 1bwy s GLU 107 CO 0.03 -0.02 0.35 1.41 -0.54 0.00 0.00 175.26 176.50 1bwy s MET 108 N -0.16 2.74 0.46 4.30 -2.45 -1.26 -0.74 119.30 122.19 1bwy s MET 108 Ca -0.02 -1.53 0.07 0.00 -1.25 0.00 0.00 55.69 52.96 1bwy s MET 108 Cb -0.02 -3.99 -0.01 0.00 1.25 0.00 0.00 34.83 32.07 1bwy s MET 108 CO 0.00 -1.08 0.34 0.14 1.05 0.00 0.00 175.02 175.47 1bwy s VAL 109 N 1.50 2.23 0.00 10.11 -7.23 -1.19 -4.91 120.40 120.91 1bwy s VAL 109 Ca 0.04 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1bwy s VAL 109 Cb -0.25 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1bwy s VAL 109 CO 0.03 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.15 1bwy n ASP 110 N -1.54 0.00 -0.84 4.85 2.03 -1.26 -0.85 116.55 118.94 1bwy n ASP 110 Ca 0.01 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.37 1bwy n ASP 110 Cb 0.63 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.19 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 4.02 3.00 0.27 0.00 -1.26 -5.06 105.19 106.15 1bwy n GLY 111 Ca 0.00 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.36 1.74 -0.48 1.61 1.02 -0.03 -3.05 119.74 118.19 1bwy s LYS 112 Ca 0.37 -0.39 -0.26 0.00 0.02 0.00 0.00 55.97 55.70 1bwy s LYS 112 Cb 0.37 -1.54 0.03 0.00 -0.52 0.00 0.00 37.83 36.18 1bwy s LYS 112 CO -0.10 -0.07 0.99 -1.17 -0.92 0.00 0.00 175.35 174.09 1bwy s LEU 113 N 1.00 3.89 -0.23 3.17 2.96 0.78 -3.16 118.68 127.09 1bwy s LEU 113 Ca -0.08 0.15 -0.25 0.00 -0.22 0.00 0.00 54.13 53.73 1bwy s LEU 113 Cb -0.15 -3.25 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 1bwy s LEU 113 CO -0.01 -1.14 0.87 0.27 -1.32 0.00 0.00 176.35 175.02 1bwy s ILE 114 N 4.01 4.81 -0.78 6.68 -0.00 0.08 -0.62 121.20 135.39 1bwy s ILE 114 Ca 0.39 1.66 -0.10 0.00 -0.00 0.00 0.00 60.65 62.60 1bwy s ILE 114 Cb -0.09 -4.15 0.20 0.00 -0.00 0.00 0.00 42.46 38.42 1bwy s ILE 114 CO 0.27 -0.08 0.68 -0.76 -0.00 0.00 0.00 174.94 175.04 1bwy s LEU 115 N 2.83 6.22 -1.19 0.37 2.01 0.48 -2.69 118.68 126.72 1bwy s LEU 115 Ca 0.37 -2.82 -0.21 0.00 0.01 0.00 0.00 54.13 51.49 1bwy s LEU 115 Cb -0.15 -2.09 0.02 0.00 0.01 0.00 0.00 46.19 43.98 1bwy s LEU 115 CO 0.08 -0.48 1.74 -0.89 1.01 0.00 0.00 176.35 177.81 1bwy s THR 116 N -0.02 3.90 -0.67 5.49 2.01 0.05 -2.73 115.64 123.67 1bwy s THR 116 Ca 0.18 -1.35 -0.27 0.00 0.31 0.00 0.00 61.69 60.56 1bwy s THR 116 Cb -0.13 -4.94 0.02 0.00 0.01 0.00 0.00 72.50 67.46 1bwy s THR 116 CO -0.07 -1.70 1.40 -0.76 -0.69 0.00 0.00 174.62 172.80 1bwy s LEU 117 N 6.35 3.25 -0.25 4.42 2.01 -1.18 -2.82 118.68 130.47 1bwy s LEU 117 Ca 0.57 -0.14 0.01 0.00 0.01 0.00 0.00 54.13 54.58 1bwy s LEU 117 Cb 0.01 -2.69 0.05 0.00 0.01 0.00 0.00 46.19 43.57 1bwy s LEU 117 CO 0.05 -1.88 -0.10 -0.89 1.01 0.00 0.00 176.35 174.53 1bwy s THR 118 N 6.32 2.39 0.07 5.49 2.01 -1.19 -0.65 115.64 130.08 1bwy s THR 118 Ca 0.44 -1.37 0.05 0.00 0.31 0.00 0.00 61.69 61.12 1bwy s THR 118 Cb -0.09 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1bwy s THR 118 CO 0.19 0.10 -0.06 -2.28 -0.69 0.00 0.00 174.62 171.88 1bwy s HIS 119 N 1.19 2.87 -0.86 4.92 5.04 0.49 -0.57 115.29 128.38 1bwy s HIS 119 Ca -0.04 -0.08 -0.22 0.00 -1.54 0.00 0.00 55.06 53.17 1bwy s HIS 119 Cb -0.18 -1.51 -0.19 0.00 0.04 0.00 0.00 32.58 30.74 1bwy s HIS 119 CO -0.06 0.43 2.13 0.41 -2.34 0.00 0.00 174.74 175.31 1bwy n GLY 120 N 0.87 -0.31 0.00 1.59 0.00 -1.16 -1.08 105.19 105.09 1bwy n GLY 120 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 8.24 0.00 -3.69 2.61 5.66 -1.26 -4.96 114.28 120.88 1bwy n THR 121 Ca 0.42 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.28 1bwy n THR 121 Cb 0.43 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.32 -1.30 -0.06 1.79 0.00 -0.24 -5.03 121.76 115.59 1bwy s ALA 122 Ca 0.00 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1bwy s ALA 122 Cb 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1bwy s ALA 122 CO 0.00 -0.25 -0.13 0.54 0.00 0.00 0.00 175.76 175.92 1bwy s VAL 123 N 0.17 1.16 -0.17 0.00 0.11 -1.26 -0.38 120.40 120.04 1bwy s VAL 123 Ca -0.01 -0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1bwy s VAL 123 Cb -0.04 -1.05 0.06 0.00 -1.53 0.00 0.00 36.38 33.82 1bwy s VAL 123 CO 0.01 0.36 0.07 0.00 -3.33 0.00 0.00 175.10 172.21 1bwy n THR 125 N 5.22 2.02 -1.98 0.00 -2.24 -1.26 -3.10 114.28 112.95 1bwy n THR 125 Ca -0.07 -2.09 -0.41 0.00 -2.27 0.00 0.00 64.05 59.21 1bwy n THR 125 Cb 0.49 -2.18 -0.02 0.00 -2.10 0.00 0.00 70.33 66.51 1bwy n THR 125 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bwy s ARG 126 N 6.30 4.25 -0.09 -0.78 0.52 -1.11 -3.18 118.95 124.86 1bwy s ARG 126 Ca 0.67 2.35 -0.25 0.00 -0.52 0.00 0.00 55.73 57.99 1bwy s ARG 126 Cb 0.00 -3.07 0.06 0.00 0.52 0.00 0.00 34.95 32.45 1bwy s ARG 126 CO 0.13 -0.41 0.58 -0.08 0.02 0.00 0.00 175.30 175.54 1bwy s THR 127 N -0.37 0.01 0.19 0.02 -1.32 -0.94 -0.39 115.64 112.85 1bwy s THR 127 Ca 0.57 -0.11 0.07 0.00 -1.21 0.00 0.00 61.69 61.01 1bwy s THR 127 Cb -0.43 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.65 1bwy s THR 127 CO 0.48 -0.06 -0.13 -0.31 -2.21 0.00 0.00 174.62 172.39 1bwy s TYR 128 N -0.81 1.60 -0.09 9.09 1.51 0.21 -0.54 117.35 128.32 1bwy s TYR 128 Ca -0.09 -0.62 0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1bwy s TYR 128 Cb -0.02 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 1bwy s TYR 128 CO 0.06 0.29 -0.22 -2.00 -1.11 0.00 0.00 175.55 172.57 1bwy s GLU 129 N -3.66 2.75 -0.09 -0.62 2.12 0.26 -0.16 118.70 119.31 1bwy s GLU 129 Ca 0.21 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 1bwy s GLU 129 Cb 0.00 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.22 1bwy s GLU 129 CO 0.05 0.18 1.51 0.21 -0.54 0.00 0.00 175.26 176.68 1bwy s LYS 130 N 0.32 4.20 -0.13 4.30 2.20 -1.17 -0.66 119.74 128.81 1bwy s LYS 130 Ca -0.16 2.00 0.13 0.00 -0.36 0.00 0.00 55.97 57.58 1bwy s LYS 130 Cb -0.17 -3.91 -0.24 0.00 -1.51 0.00 0.00 37.83 32.01 1bwy s LYS 130 CO 0.07 -0.80 0.35 0.00 -0.36 0.00 0.00 175.35 174.61 1bwy n GLN 131 N 6.94 0.67 0.00 4.03 10.64 0.69 -4.91 117.38 135.44 1bwy n GLN 131 Ca 0.16 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1bwy n GLN 131 Cb 0.43 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23