#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 2.32 0.00 6.55 9.92 -1.26 -0.50 116.55 133.58 1bwy n ASP 2 Ca 0.00 -2.34 0.00 0.00 -0.53 0.00 0.00 54.79 51.92 1bwy n ASP 2 Cb 0.00 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 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 6.00 0.00 -0.07 2.24 0.00 -1.26 -4.97 120.51 122.45 1bwy n ALA 3 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.55 1bwy n ALA 3 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.83 1.00 -1.52 0.00 3.72 0.34 -4.82 117.46 114.36 1bwy n PHE 4 Ca 0.00 0.34 -0.34 0.00 -0.05 0.00 0.00 57.45 57.40 1bwy n PHE 4 Cb 0.00 -1.11 -0.11 0.00 -0.94 0.00 0.00 39.48 37.32 1bwy n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1bwy n VAL 5 N -4.08 -0.03 -0.66 -4.37 0.31 -1.16 -4.64 118.33 103.69 1bwy n VAL 5 Ca -0.34 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 1bwy n VAL 5 Cb 0.82 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 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 6.24 0.71 3.70 2.92 0.00 0.20 -4.94 105.19 114.02 1bwy n GLY 6 Ca 0.54 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.85 5.30 -0.16 2.61 2.01 -1.26 -0.85 115.64 120.43 1bwy s THR 7 Ca 0.00 0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.37 1bwy s THR 7 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1bwy s THR 7 CO 0.00 0.36 0.18 0.26 -0.69 0.00 0.00 174.62 174.73 1bwy s TRP 8 N 0.76 3.48 -0.18 4.92 0.52 0.46 -0.81 118.94 128.08 1bwy s TRP 8 Ca 0.14 0.47 -0.04 0.00 0.02 0.00 0.00 56.10 56.69 1bwy s TRP 8 Cb -0.13 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 1bwy s TRP 8 CO 0.04 0.40 -0.04 -1.59 0.02 0.00 0.00 176.95 175.78 1bwy s LYS 9 N 0.00 3.54 0.50 4.98 -2.85 -0.06 -0.37 119.74 125.49 1bwy s LYS 9 Ca 0.12 -0.57 -0.21 0.00 -1.00 0.00 0.00 55.97 54.32 1bwy s LYS 9 Cb -0.12 -2.96 -0.07 0.00 -2.06 0.00 0.00 37.83 32.62 1bwy s LYS 9 CO 0.01 0.05 1.13 -1.17 0.10 0.00 0.00 175.35 175.47 1bwy s LEU 10 N 0.85 3.87 0.04 2.77 0.20 -0.19 -0.52 118.68 125.70 1bwy s LEU 10 Ca -0.01 2.19 0.00 0.00 0.69 0.00 0.00 54.13 57.00 1bwy s LEU 10 Cb -0.15 -4.44 0.00 0.00 -0.43 0.00 0.00 46.19 41.17 1bwy s LEU 10 CO 0.02 -1.03 0.00 0.55 -0.29 0.00 0.00 176.35 175.59 1bwy n VAL 11 N -0.92 0.02 -3.81 1.68 3.14 -0.86 -4.64 118.33 112.94 1bwy n VAL 11 Ca 0.10 0.01 -0.36 0.00 -2.96 0.00 0.00 64.34 61.12 1bwy n VAL 11 Cb 0.50 -0.18 -0.11 0.00 -1.06 0.00 0.00 33.84 32.99 1bwy n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bwy s ASP 12 N -4.24 5.50 -0.16 6.55 1.01 -1.19 -4.99 116.67 119.15 1bwy s ASP 12 Ca 0.00 -0.06 -0.30 0.00 0.71 0.00 0.00 52.55 52.90 1bwy s ASP 12 Cb 0.00 -1.98 0.12 0.00 1.01 0.00 0.00 42.92 42.07 1bwy s ASP 12 CO 0.00 0.03 0.97 -0.55 0.21 0.00 0.00 175.17 175.83 1bwy s SER 13 N 1.21 -0.41 0.25 0.27 0.15 -1.26 -0.57 113.70 113.34 1bwy s SER 13 Ca 0.05 0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.98 1bwy s SER 13 Cb -0.14 0.40 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1bwy s SER 13 CO 0.04 -0.34 0.88 -1.59 1.20 0.00 0.00 173.24 173.43 1bwy s LYS 14 N -0.95 1.61 -0.99 5.44 -2.85 -1.23 -4.91 119.74 115.87 1bwy s LYS 14 Ca -0.02 -0.97 -0.05 0.00 -1.00 0.00 0.00 55.97 53.93 1bwy s LYS 14 Cb -0.01 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1bwy s LYS 14 CO 0.02 -0.75 0.66 -1.71 0.10 0.00 0.00 175.35 173.67 1bwy n ASN 15 N -0.88 -4.90 -0.08 0.03 5.15 -1.26 -4.07 115.26 109.25 1bwy n ASN 15 Ca -0.05 -0.30 -0.11 0.00 -0.60 0.00 0.00 54.58 53.51 1bwy n ASN 15 Cb 0.60 -3.59 -0.07 0.00 -0.53 0.00 0.00 39.78 36.18 1bwy n ASN 15 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1bwy n PHE 16 N -4.18 0.00 0.00 1.20 -0.00 -1.26 -3.57 117.46 109.64 1bwy n PHE 16 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1bwy n PHE 16 Cb 0.56 -0.61 0.00 0.00 -0.00 0.00 0.00 39.48 39.43 1bwy n PHE 16 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1bwy n ASP 17 N -3.00 0.00 -0.26 -2.13 5.75 -1.26 -0.42 116.55 115.22 1bwy n ASP 17 Ca -0.28 0.12 0.06 0.00 -0.01 0.00 0.00 54.79 54.68 1bwy n ASP 17 Cb 0.80 -0.02 0.20 0.00 -1.03 0.00 0.00 41.12 41.06 1bwy n ASP 17 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1bwy h ASP 18 N 0.00 0.22 0.21 -1.12 3.58 -1.91 -0.90 116.42 116.51 1bwy h ASP 18 Ca 0.00 0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.58 1bwy h ASP 18 Cb 0.00 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1bwy h ASP 18 CO 0.00 0.06 -0.31 0.22 -2.88 0.00 0.00 179.24 176.33 1bwy h TYR 19 N 0.40 -0.83 -0.55 0.28 3.20 -1.43 -1.93 116.97 116.10 1bwy h TYR 19 Ca 0.43 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.41 1bwy h TYR 19 Cb 0.69 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.23 1bwy h TYR 19 CO -0.19 -0.43 0.12 1.98 -1.64 0.00 0.00 178.16 178.01 1bwy h MET 20 N -0.59 0.26 -3.81 1.82 1.85 -0.29 0.28 114.93 114.45 1bwy h MET 20 Ca 0.01 -0.02 -0.34 0.00 -0.61 0.00 0.00 59.70 58.74 1bwy h MET 20 Cb 0.57 -0.06 0.02 0.00 0.43 0.00 0.00 31.60 32.57 1bwy h MET 20 CO -0.12 0.17 2.12 1.17 -0.40 0.00 0.00 176.91 179.84 1bwy n LYS 21 N -5.11 1.39 0.00 0.39 4.81 -0.38 -1.03 118.16 118.24 1bwy n LYS 21 Ca 0.07 -1.26 0.00 0.00 -0.87 0.00 0.00 58.31 56.25 1bwy n LYS 21 Cb 0.28 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 5.13 0.00 0.10 3.14 7.64 -1.21 -4.90 113.62 123.52 1bwy n SER 22 Ca 0.35 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1bwy n SER 22 Cb 0.15 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1bwy n SER 22 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1bwy h LEU 23 N 0.00 0.00 -1.38 -3.43 5.85 -0.28 -3.48 115.31 112.59 1bwy h LEU 23 Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 1bwy h LEU 23 Cb 0.00 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.15 1bwy h LEU 23 CO 0.00 0.61 -0.55 0.61 -0.34 0.00 0.00 178.44 178.77 1bwy n GLY 24 N 1.29 -0.17 1.13 3.75 0.00 -0.20 -4.93 105.19 106.06 1bwy n GLY 24 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.80 0.96 -0.17 1.61 3.14 -1.26 -5.02 118.33 113.79 1bwy n VAL 25 Ca -0.12 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 1bwy n VAL 25 Cb 0.59 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 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 3.26 -1.73 0.00 7.55 0.00 -1.26 -4.62 105.19 108.38 1bwy n GLY 26 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1bwy n GLY 26 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bwy n PHE 27 N -0.84 0.00 -0.92 1.61 7.35 -1.26 -4.92 117.46 118.49 1bwy n PHE 27 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1bwy n PHE 27 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bwy n ALA 28 N 0.26 0.00 -0.06 3.13 0.00 -1.26 -4.84 120.51 117.74 1bwy n ALA 28 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1bwy n ALA 28 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 1bwy n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bwy n THR 29 N -2.08 1.10 -0.02 0.00 -2.24 -1.26 -4.34 114.28 105.43 1bwy n THR 29 Ca 0.00 0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1bwy n THR 29 Cb 0.37 -2.15 -0.02 0.00 -2.10 0.00 0.00 70.33 66.42 1bwy n THR 29 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1bwy h ARG 30 N -0.75 -0.18 0.00 -0.78 9.65 -1.91 -0.86 114.38 119.54 1bwy h ARG 30 Ca 0.00 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1bwy h ARG 30 Cb 0.59 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1bwy h ARG 30 CO 0.00 -0.12 -0.01 -0.56 2.80 0.00 0.00 179.97 182.08 1bwy h GLN 31 N -0.19 0.00 0.00 0.20 3.07 -1.96 0.52 115.11 116.75 1bwy h GLN 31 Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.71 1bwy h GLN 31 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 1bwy h GLN 31 CO -0.29 0.01 -0.87 -0.24 0.09 0.00 0.00 178.83 177.52 1bwy h VAL 32 N 0.00 0.81 0.00 1.86 3.04 -1.69 -3.39 116.25 116.88 1bwy h VAL 32 Ca -0.00 -1.91 0.00 0.00 -1.01 0.00 0.00 66.70 63.78 1bwy h VAL 32 Cb 0.02 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1bwy h VAL 32 CO 0.00 0.28 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 1bwy n GLY 33 N 1.51 1.63 0.65 3.17 0.00 -0.35 -0.79 105.19 111.01 1bwy n GLY 33 Ca -0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 0.41 0.13 0.07 1.61 6.94 0.03 -4.86 115.26 119.59 1bwy n ASN 34 Ca 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 1bwy n ASN 34 Cb 0.37 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1bwy n ASN 34 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1bwy n MET 35 N 0.07 0.00 -2.63 -3.83 1.56 -0.35 -5.03 117.12 106.90 1bwy n MET 35 Ca 0.01 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.21 1bwy n MET 35 Cb 0.75 0.00 0.09 0.00 2.15 0.00 0.00 33.22 36.21 1bwy n MET 35 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1bwy s THR 36 N -2.00 2.23 -0.70 1.12 -1.32 0.03 -5.08 115.64 109.92 1bwy s THR 36 Ca 0.00 -0.64 0.03 0.00 -1.21 0.00 0.00 61.69 59.87 1bwy s THR 36 Cb 0.00 -2.59 0.17 0.00 -1.51 0.00 0.00 72.50 68.57 1bwy s THR 36 CO 0.00 0.00 0.50 -0.54 -2.21 0.00 0.00 174.62 172.37 1bwy s LYS 37 N -5.03 2.55 0.72 7.08 3.01 -1.26 -4.53 119.74 122.27 1bwy s LYS 37 Ca 0.64 -3.14 -0.14 0.00 -1.01 0.00 0.00 55.97 52.33 1bwy s LYS 37 Cb -0.06 -3.54 0.04 0.00 -1.01 0.00 0.00 37.83 33.26 1bwy s LYS 37 CO 0.43 -1.24 1.13 -1.25 0.51 0.00 0.00 175.35 174.93 1bwy s PRO 38 N -1.12 2.35 0.23 -1.68 0.04 -1.26 -4.59 135.00 128.98 1bwy s PRO 38 Ca 0.23 1.45 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1bwy s PRO 38 Cb -0.10 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1bwy s PRO 38 CO -0.12 -1.61 0.04 0.95 0.04 0.00 0.00 177.00 176.30 1bwy s THR 39 N -2.40 3.75 -0.04 1.26 -4.23 -0.15 -1.02 115.64 112.81 1bwy s THR 39 Ca 0.68 -1.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1bwy s THR 39 Cb -0.22 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1bwy s THR 39 CO 0.47 -0.29 0.01 -0.89 -0.54 0.00 0.00 174.62 173.38 1bwy s THR 40 N -2.10 0.13 -0.12 3.99 2.01 0.51 0.19 115.64 120.25 1bwy s THR 40 Ca 0.30 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 1bwy s THR 40 Cb -0.08 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1bwy s THR 40 CO 0.21 0.16 0.77 -0.63 -0.69 0.00 0.00 174.62 174.43 1bwy s ILE 41 N 1.35 4.97 -0.22 1.82 -1.09 0.34 -0.40 121.20 127.97 1bwy s ILE 41 Ca -0.05 1.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.91 1bwy s ILE 41 Cb -0.13 -4.09 0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1bwy s ILE 41 CO -0.03 0.14 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.10 1bwy s ILE 42 N 1.47 1.69 -0.08 2.92 1.09 -0.03 -0.64 121.20 127.62 1bwy s ILE 42 Ca 0.38 -1.15 0.03 0.00 -1.10 0.00 0.00 60.65 58.81 1bwy s ILE 42 Cb -0.17 -1.82 -0.02 0.00 -1.06 0.00 0.00 42.46 39.40 1bwy s ILE 42 CO 0.16 0.08 -0.18 -0.70 -0.10 0.00 0.00 174.94 174.20 1bwy s GLU 43 N 1.35 2.84 -1.21 2.79 2.12 -0.22 -0.63 118.70 125.74 1bwy s GLU 43 Ca -0.03 -0.76 -0.22 0.00 0.36 0.00 0.00 54.97 54.32 1bwy s GLU 43 Cb -0.17 -2.39 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 1bwy s GLU 43 CO -0.07 0.39 1.89 1.55 -0.54 0.00 0.00 175.26 178.48 1bwy n VAL 44 N 2.97 2.39 -1.20 3.70 3.14 -1.26 -0.70 118.33 127.36 1bwy n VAL 44 Ca -0.18 -2.47 -0.35 0.00 -2.96 0.00 0.00 64.34 58.38 1bwy n VAL 44 Cb 0.52 -2.22 0.09 0.00 -1.06 0.00 0.00 33.84 31.18 1bwy n VAL 44 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1bwy n ASN 45 N 12.84 -0.46 0.00 6.55 5.15 -1.19 -4.84 115.26 133.31 1bwy n ASN 45 Ca 0.46 0.58 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 1bwy n ASN 45 Cb 0.46 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 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 1.28 0.00 0.51 8.20 0.00 -1.26 -0.30 105.19 113.62 1bwy n GLY 46 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.07 2.75 -1.12 1.61 5.75 -1.26 -5.05 116.55 118.16 1bwy n ASP 47 Ca 0.00 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1bwy n ASP 47 Cb 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1bwy n ASP 47 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bwy n THR 48 N 0.26 0.00 -3.86 2.12 -2.24 0.59 -4.71 114.28 106.45 1bwy n THR 48 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1bwy n THR 48 Cb 0.40 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.41 0.06 -0.05 2.28 0.11 0.33 -3.20 120.40 118.53 1bwy s VAL 49 Ca 0.00 -0.50 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1bwy s VAL 49 Cb 0.00 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1bwy s VAL 49 CO 0.00 -0.28 -0.22 -0.51 -3.33 0.00 0.00 175.10 170.76 1bwy s ILE 50 N -0.99 1.83 -0.07 7.04 2.07 0.12 -0.64 121.20 130.57 1bwy s ILE 50 Ca -0.11 -0.95 0.02 0.00 -1.41 0.00 0.00 60.65 58.20 1bwy s ILE 50 Cb -0.06 -1.55 -0.03 0.00 0.13 0.00 0.00 42.46 40.96 1bwy s ILE 50 CO 0.01 0.51 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.82 1bwy s ILE 51 N -0.17 3.33 -0.10 2.00 1.01 -0.22 -1.06 121.20 126.00 1bwy s ILE 51 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1bwy s ILE 51 Cb -0.12 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.04 1bwy s ILE 51 CO 0.02 0.58 0.01 -0.54 0.00 0.00 0.00 174.94 175.02 1bwy s LYS 52 N -0.61 0.60 -0.61 2.79 -0.14 0.18 -1.19 119.74 120.77 1bwy s LYS 52 Ca 0.09 0.01 -0.21 0.00 -1.36 0.00 0.00 55.97 54.50 1bwy s LYS 52 Cb -0.11 -1.20 0.08 0.00 -1.68 0.00 0.00 37.83 34.92 1bwy s LYS 52 CO 0.01 -0.37 0.83 0.95 -0.76 0.00 0.00 175.35 176.01 1bwy s THR 53 N 1.96 4.57 -1.37 2.17 -4.23 0.03 -0.50 115.64 118.27 1bwy s THR 53 Ca 0.04 -0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 59.85 1bwy s THR 53 Cb -0.13 -4.56 0.09 0.00 1.34 0.00 0.00 72.50 69.23 1bwy s THR 53 CO -0.06 -1.25 2.01 0.00 -0.54 0.00 0.00 174.62 174.78 1bwy n GLN 54 N 7.02 3.15 -2.13 3.99 3.00 0.13 -4.00 117.38 128.54 1bwy n GLN 54 Ca -0.06 -3.04 -0.22 0.00 -0.01 0.00 0.00 57.00 53.67 1bwy n GLN 54 Cb 0.44 -3.20 0.13 0.00 0.00 0.00 0.00 30.24 27.61 1bwy n GLN 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1bwy n SER 55 N 5.77 0.86 0.00 1.08 2.88 -1.23 -0.98 113.62 122.00 1bwy n SER 55 Ca 0.47 -1.83 -0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1bwy n SER 55 Cb 0.39 -0.67 -0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1bwy n SER 55 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1bwy h THR 56 N -0.91 0.00 -0.93 2.46 1.35 -1.97 -3.40 112.91 109.50 1bwy h THR 56 Ca -0.32 -0.11 -0.61 0.00 -0.55 0.00 0.00 66.41 64.83 1bwy h THR 56 Cb 1.07 0.00 -0.30 0.00 -1.73 0.00 0.00 68.15 67.18 1bwy h THR 56 CO 0.30 0.00 0.56 0.49 -0.25 0.00 0.00 175.52 176.62 1bwy n PHE 57 N -2.36 3.02 -2.93 4.73 3.72 -1.26 -4.53 117.46 117.84 1bwy n PHE 57 Ca -0.00 -2.64 -0.05 0.00 -0.05 0.00 0.00 57.45 54.70 1bwy n PHE 57 Cb 0.01 -1.17 -0.01 0.00 -0.94 0.00 0.00 39.48 37.38 1bwy n PHE 57 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1bwy s LYS 58 N -3.67 0.99 -0.48 -1.08 2.20 -1.26 -4.99 119.74 111.45 1bwy s LYS 58 Ca 0.61 -0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 55.12 1bwy s LYS 58 Cb 0.49 -0.14 0.10 0.00 -1.51 0.00 0.00 37.83 36.76 1bwy s LYS 58 CO 0.02 -1.30 0.39 -0.80 -0.36 0.00 0.00 175.35 173.30 1bwy s ASN 59 N 1.05 5.98 0.12 1.43 0.02 -1.26 -3.47 114.94 118.81 1bwy s ASN 59 Ca 0.27 -1.60 0.05 0.00 -1.02 0.00 0.00 52.86 50.55 1bwy s ASN 59 Cb -0.01 -2.12 -0.04 0.00 0.02 0.00 0.00 41.25 39.10 1bwy s ASN 59 CO -0.06 -0.70 -0.11 0.42 0.02 0.00 0.00 177.10 176.67 1bwy s THR 60 N 1.54 1.11 -0.10 1.60 -4.23 -1.26 -4.98 115.64 109.32 1bwy s THR 60 Ca 0.04 -1.77 -0.18 0.00 -1.18 0.00 0.00 61.69 58.61 1bwy s THR 60 Cb -0.26 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.09 1bwy s THR 60 CO 0.03 -0.56 0.44 -1.83 -0.54 0.00 0.00 174.62 172.16 1bwy s GLU 61 N -2.99 0.65 -0.27 3.99 -1.05 -1.26 -0.79 118.70 116.98 1bwy s GLU 61 Ca 0.09 0.32 -0.16 0.00 -0.15 0.00 0.00 54.97 55.08 1bwy s GLU 61 Cb -0.02 0.31 0.08 0.00 -0.44 0.00 0.00 34.13 34.05 1bwy s GLU 61 CO 0.01 -0.14 0.67 -1.50 0.95 0.00 0.00 175.26 175.26 1bwy s ILE 62 N -0.46 -0.01 -0.22 1.83 -1.16 -0.33 -4.97 121.20 115.88 1bwy s ILE 62 Ca -0.06 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 59.98 1bwy s ILE 62 Cb -0.03 -0.98 -0.05 0.00 0.61 0.00 0.00 42.46 42.01 1bwy s ILE 62 CO 0.03 0.00 0.17 -0.94 -2.81 0.00 0.00 174.94 171.40 1bwy s SER 63 N 1.64 6.20 0.04 4.50 1.04 -1.26 -1.05 113.70 124.81 1bwy s SER 63 Ca -0.10 0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.54 1bwy s SER 63 Cb -0.05 -2.11 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 1bwy s SER 63 CO -0.20 0.10 -0.03 0.72 0.98 0.00 0.00 173.24 174.82 1bwy s PHE 64 N 0.75 0.43 -0.32 5.02 -0.12 0.18 -4.99 117.98 118.93 1bwy s PHE 64 Ca 0.09 -0.88 -0.11 0.00 -0.05 0.00 0.00 56.93 55.98 1bwy s PHE 64 Cb -0.13 -0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 1bwy s PHE 64 CO 0.02 -0.32 0.19 0.21 -0.05 0.00 0.00 175.22 175.27 1bwy s LYS 65 N -3.09 3.43 -0.72 1.99 2.36 -1.26 -0.51 119.74 121.94 1bwy s LYS 65 Ca -0.01 -0.67 -0.23 0.00 -2.55 0.00 0.00 55.97 52.51 1bwy s LYS 65 Cb 0.02 -3.66 -0.18 0.00 -1.05 0.00 0.00 37.83 32.95 1bwy s LYS 65 CO -0.07 -0.42 1.88 1.47 1.55 0.00 0.00 175.35 179.77 1bwy n LEU 66 N 5.03 3.54 0.00 5.43 -0.00 -1.26 -3.08 117.00 126.66 1bwy n LEU 66 Ca -0.13 -2.73 0.00 0.00 -0.00 0.00 0.00 56.01 53.14 1bwy n LEU 66 Cb 0.49 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1bwy n LEU 66 CO 0.35 -0.78 0.00 0.61 -0.00 0.00 0.00 177.39 177.57 1bwy n GLY 67 N 4.74 0.00 3.30 1.47 0.00 0.39 -4.46 105.19 110.64 1bwy n GLY 67 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.22 1.61 1.01 -0.22 -4.96 120.40 117.69 1bwy s VAL 68 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1bwy s VAL 68 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1bwy s VAL 68 CO 0.00 -0.29 0.04 -0.70 0.00 0.00 0.00 175.10 174.14 1bwy s GLU 69 N -2.51 3.69 0.10 2.72 2.12 -1.26 -1.27 118.70 122.30 1bwy s GLU 69 Ca -0.05 -0.48 -0.26 0.00 0.36 0.00 0.00 54.97 54.54 1bwy s GLU 69 Cb -0.01 -3.20 0.08 0.00 0.26 0.00 0.00 34.13 31.26 1bwy s GLU 69 CO -0.03 -0.03 0.86 -0.59 -0.54 0.00 0.00 175.26 174.94 1bwy s PHE 70 N 1.15 -0.27 0.42 5.30 -0.71 -0.09 -4.99 117.98 118.79 1bwy s PHE 70 Ca 0.04 0.03 -0.25 0.00 -1.04 0.00 0.00 56.93 55.71 1bwy s PHE 70 Cb -0.14 0.60 -0.08 0.00 -1.21 0.00 0.00 43.02 42.18 1bwy s PHE 70 CO 0.02 -0.76 1.23 0.34 -1.34 0.00 0.00 175.22 174.72 1bwy s ASP 71 N -2.74 6.28 -0.49 1.98 -1.08 -1.26 -0.30 116.67 119.06 1bwy s ASP 71 Ca 0.08 2.49 0.07 0.00 -0.52 0.00 0.00 52.55 54.66 1bwy s ASP 71 Cb -0.02 -2.62 0.23 0.00 -1.46 0.00 0.00 42.92 39.05 1bwy s ASP 71 CO -0.04 -0.86 0.56 1.21 0.52 0.00 0.00 175.17 176.57 1bwy n GLU 72 N -0.09 1.26 -2.15 4.34 2.13 0.92 -4.62 120.64 122.42 1bwy n GLU 72 Ca 0.05 -3.74 -0.42 0.00 0.66 0.00 0.00 57.16 53.71 1bwy n GLU 72 Cb 0.45 -1.66 -0.03 0.00 0.27 0.00 0.00 31.44 30.48 1bwy n GLU 72 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1bwy s THR 73 N -1.42 3.63 0.00 6.31 2.01 -1.26 -2.41 115.64 122.51 1bwy s THR 73 Ca 0.35 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 1bwy s THR 73 Cb 0.13 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1bwy s THR 73 CO -0.10 -0.66 0.01 0.28 -0.69 0.00 0.00 174.62 173.46 1bwy s THR 74 N 6.62 0.05 -1.23 -0.82 -1.32 -0.29 -4.97 115.64 113.68 1bwy s THR 74 Ca 0.70 -0.41 -0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1bwy s THR 74 Cb -0.17 -0.15 -0.12 0.00 -1.51 0.00 0.00 72.50 70.54 1bwy s THR 74 CO 0.31 -0.23 3.10 0.00 -2.21 0.00 0.00 174.62 175.59 1bwy n ALA 75 N 2.37 7.27 -0.12 11.08 0.00 -1.26 -0.62 120.51 139.24 1bwy n ALA 75 Ca -0.18 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1bwy n ALA 75 Cb 0.58 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.93 1bwy n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bwy n ASP 76 N 3.23 0.00 0.15 0.00 5.68 -1.26 -4.92 116.55 119.43 1bwy n ASP 76 Ca 0.70 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 55.12 1bwy n ASP 76 Cb 0.39 0.03 0.47 0.00 -1.14 0.00 0.00 41.12 40.88 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 0.00 0.00 0.00 -1.12 3.32 -1.81 -3.40 116.42 113.41 1bwy h ASP 77 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bwy h ASP 77 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1bwy h ASP 77 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1bwy n ARG 78 N -2.45 0.00 -1.21 3.56 1.74 0.21 -4.21 116.66 114.31 1bwy n ARG 78 Ca 0.03 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 1bwy n ARG 78 Cb 0.33 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.73 1bwy n ARG 78 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1bwy n LYS 79 N 0.00 3.35 -1.74 5.56 4.81 -1.26 -1.13 118.16 127.75 1bwy n LYS 79 Ca 0.00 -2.00 -0.29 0.00 -0.87 0.00 0.00 58.31 55.15 1bwy n LYS 79 Cb 0.00 -2.68 0.13 0.00 0.02 0.00 0.00 35.03 32.49 1bwy n LYS 79 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bwy s VAL 80 N 2.22 1.98 -0.17 3.15 0.11 -1.01 -4.83 120.40 121.85 1bwy s VAL 80 Ca 0.66 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.68 1bwy s VAL 80 Cb 0.18 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 1bwy s VAL 80 CO -0.05 0.00 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.91 1bwy s LYS 81 N -5.53 3.50 -0.50 1.54 2.20 0.57 -0.06 119.74 121.47 1bwy s LYS 81 Ca 0.65 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 1bwy s LYS 81 Cb -0.11 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1bwy s LYS 81 CO 0.51 0.07 1.26 -1.54 -0.36 0.00 0.00 175.35 175.29 1bwy s SER 82 N 0.78 6.45 -0.39 1.43 1.04 0.59 -1.58 113.70 122.01 1bwy s SER 82 Ca -0.02 0.45 -0.13 0.00 0.48 0.00 0.00 55.95 56.73 1bwy s SER 82 Cb -0.15 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.45 1bwy s SER 82 CO 0.02 -1.41 0.25 -0.63 0.98 0.00 0.00 173.24 172.45 1bwy s ILE 83 N 5.04 4.93 0.05 -1.02 1.01 -1.13 -0.92 121.20 129.15 1bwy s ILE 83 Ca 0.51 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1bwy s ILE 83 Cb -0.09 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1bwy s ILE 83 CO 0.30 -0.27 -0.19 -0.69 0.00 0.00 0.00 174.94 174.09 1bwy s VAL 84 N 1.62 1.53 0.00 2.92 1.01 -0.40 -0.69 120.40 126.39 1bwy s VAL 84 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1bwy s VAL 84 Cb -0.19 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1bwy s VAL 84 CO 0.08 0.14 0.00 1.07 0.00 0.00 0.00 175.10 176.39 1bwy n THR 85 N 1.82 0.00 -3.98 3.92 5.66 0.07 -0.46 114.28 121.31 1bwy n THR 85 Ca -0.17 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.71 1bwy n THR 85 Cb 0.54 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.19 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 2.13 0.00 1.09 0.05 -1.26 -0.31 118.68 120.38 1bwy s LEU 86 Ca 0.00 -0.28 0.30 0.00 0.05 0.00 0.00 54.13 54.20 1bwy s LEU 86 Cb 0.00 -0.03 1.59 0.00 -2.05 0.00 0.00 46.19 45.71 1bwy s LEU 86 CO 0.00 -0.13 2.05 -0.90 -0.55 0.00 0.00 176.35 176.82 1bwy n ASP 87 N 2.28 0.48 0.00 1.48 5.75 0.12 -4.79 116.55 121.88 1bwy n ASP 87 Ca -0.18 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1bwy n ASP 87 Cb 0.57 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1bwy n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwy n GLY 88 N 1.05 3.08 1.56 6.12 0.00 -1.26 -4.87 105.19 110.87 1bwy n GLY 88 Ca 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.16 3.77 -0.02 0.00 -1.26 -5.10 105.19 102.42 1bwy n GLY 89 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.69 4.60 -0.36 1.61 3.01 -1.26 -4.88 119.74 120.76 1bwy s LYS 90 Ca 0.00 1.51 -0.29 0.00 -1.01 0.00 0.00 55.97 56.18 1bwy s LYS 90 Cb 0.00 -2.97 0.02 0.00 -1.01 0.00 0.00 37.83 33.87 1bwy s LYS 90 CO 0.00 0.26 1.10 -1.17 0.51 0.00 0.00 175.35 176.05 1bwy s LEU 91 N -1.79 3.85 -0.44 3.17 0.20 0.36 -0.70 118.68 123.33 1bwy s LEU 91 Ca 0.48 0.90 -0.12 0.00 0.69 0.00 0.00 54.13 56.08 1bwy s LEU 91 Cb -0.24 -3.55 0.08 0.00 -0.43 0.00 0.00 46.19 42.05 1bwy s LEU 91 CO 0.30 -0.99 0.31 -0.69 -0.29 0.00 0.00 176.35 175.00 1bwy s VAL 92 N 3.89 4.65 -0.47 1.68 1.01 0.58 -0.60 120.40 131.15 1bwy s VAL 92 Ca 0.46 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1bwy s VAL 92 Cb -0.11 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.50 1bwy s VAL 92 CO 0.20 -0.53 0.58 -2.28 0.00 0.00 0.00 175.10 173.06 1bwy s HIS 93 N 1.52 3.09 -0.57 5.22 5.04 -0.42 -0.75 115.29 128.41 1bwy s HIS 93 Ca 0.03 -0.38 -0.20 0.00 -1.54 0.00 0.00 55.06 52.98 1bwy s HIS 93 Cb -0.23 -3.32 0.08 0.00 0.04 0.00 0.00 32.58 29.15 1bwy s HIS 93 CO 0.04 -0.90 0.72 0.54 -2.34 0.00 0.00 174.74 172.80 1bwy s VAL 94 N 2.54 4.76 -0.59 0.89 0.11 0.13 -0.11 120.40 128.12 1bwy s VAL 94 Ca 0.16 -0.71 -0.22 0.00 -2.93 0.00 0.00 61.98 58.28 1bwy s VAL 94 Cb -0.17 -4.46 0.07 0.00 -1.53 0.00 0.00 36.38 30.28 1bwy s VAL 94 CO 0.14 -1.07 0.85 -1.58 -3.33 0.00 0.00 175.10 170.11 1bwy s GLN 95 N 2.89 3.15 -0.14 1.54 0.74 0.51 -2.85 119.66 125.50 1bwy s GLN 95 Ca 0.15 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1bwy s GLN 95 Cb -0.21 -4.17 -0.00 0.00 1.10 0.00 0.00 33.01 29.73 1bwy s GLN 95 CO 0.09 -1.58 -0.17 0.21 -0.55 0.00 0.00 175.29 173.29 1bwy s LYS 96 N 3.54 3.21 0.00 1.67 2.20 -0.61 -0.33 119.74 129.41 1bwy s LYS 96 Ca 0.21 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1bwy s LYS 96 Cb -0.17 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1bwy s LYS 96 CO 0.12 0.09 0.00 -2.67 -0.36 0.00 0.00 175.35 172.53 1bwy n TRP 97 N 3.83 0.00 -3.81 4.03 2.14 -1.13 -0.32 117.44 122.19 1bwy n TRP 97 Ca -0.19 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.25 1bwy n TRP 97 Cb 0.52 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.88 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 -1.00 -0.08 0.00 -0.67 6.03 -1.26 -4.83 114.94 113.13 1bwy s ASN 98 Ca 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 52.86 52.03 1bwy s ASN 98 Cb 0.00 0.15 0.00 0.00 -3.03 0.00 0.00 41.25 38.37 1bwy s ASN 98 CO 0.00 -0.07 0.00 0.61 -2.03 0.00 0.00 177.10 175.61 1bwy n GLY 99 N 3.48 1.52 3.37 0.45 0.00 -1.26 -4.86 105.19 107.89 1bwy n GLY 99 Ca -0.18 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1bwy n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bwy s GLN 100 N 0.00 1.74 0.34 1.61 1.03 -1.26 -5.18 119.66 117.93 1bwy s GLN 100 Ca 0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 55.36 53.47 1bwy s GLN 100 Cb 0.00 0.37 0.02 0.00 0.03 0.00 0.00 33.01 33.43 1bwy s GLN 100 CO 0.00 -0.67 0.59 -1.83 -2.54 0.00 0.00 175.29 170.83 1bwy s GLU 101 N -3.40 1.95 -0.01 9.60 -1.05 -1.26 -2.83 118.70 121.69 1bwy s GLU 101 Ca 0.36 -1.54 0.03 0.00 -0.15 0.00 0.00 54.97 53.67 1bwy s GLU 101 Cb 0.02 0.51 -0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1bwy s GLU 101 CO 0.22 -0.85 -0.09 0.95 0.95 0.00 0.00 175.26 176.44 1bwy s THR 102 N -3.01 0.74 0.19 1.83 -4.23 0.55 -4.75 115.64 106.96 1bwy s THR 102 Ca 0.23 -0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.07 1bwy s THR 102 Cb -0.02 -0.64 -0.08 0.00 1.34 0.00 0.00 72.50 73.10 1bwy s THR 102 CO 0.15 0.22 1.07 -0.94 -0.54 0.00 0.00 174.62 174.58 1bwy s SER 103 N -0.06 7.32 -0.49 3.99 1.04 -0.31 -0.36 113.70 124.82 1bwy s SER 103 Ca 0.01 2.07 0.05 0.00 0.48 0.00 0.00 55.95 58.57 1bwy s SER 103 Cb -0.05 -2.61 0.20 0.00 0.10 0.00 0.00 66.02 63.65 1bwy s SER 103 CO -0.00 -0.16 0.45 0.18 0.98 0.00 0.00 173.24 174.69 1bwy n LEU 104 N 2.17 0.84 -4.61 2.42 4.77 0.84 -3.10 117.00 120.32 1bwy n LEU 104 Ca 0.02 -4.73 -0.38 0.00 -0.03 0.00 0.00 56.01 50.88 1bwy n LEU 104 Cb 0.46 0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1bwy n LEU 104 CO 0.53 1.90 -0.03 0.54 -1.33 0.00 0.00 177.39 179.01 1bwy s VAL 105 N -0.79 5.24 -0.09 4.08 0.11 -1.12 -1.30 120.40 126.52 1bwy s VAL 105 Ca 0.32 0.42 0.02 0.00 -2.93 0.00 0.00 61.98 59.82 1bwy s VAL 105 Cb 0.06 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 1bwy s VAL 105 CO -0.16 0.21 -0.17 -0.13 -3.33 0.00 0.00 175.10 171.53 1bwy s ARG 106 N 1.81 2.99 -0.04 1.54 3.00 0.23 -1.66 118.95 126.83 1bwy s ARG 106 Ca 0.12 -0.76 -0.11 0.00 0.00 0.00 0.00 55.73 54.99 1bwy s ARG 106 Cb -0.16 -2.44 0.02 0.00 0.00 0.00 0.00 34.95 32.37 1bwy s ARG 106 CO 0.10 0.33 0.24 -2.00 0.00 0.00 0.00 175.30 173.97 1bwy s GLU 107 N 0.02 0.49 -0.26 3.54 2.56 -0.48 -0.49 118.70 124.07 1bwy s GLU 107 Ca -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.97 54.85 1bwy s GLU 107 Cb -0.15 0.22 0.07 0.00 2.00 0.00 0.00 34.13 36.27 1bwy s GLU 107 CO 0.05 -0.11 -0.03 1.41 -0.56 0.00 0.00 175.26 176.01 1bwy s MET 108 N -0.86 1.59 0.42 4.30 -2.45 -1.26 -0.32 119.30 120.71 1bwy s MET 108 Ca -0.09 -1.20 0.05 0.00 -1.25 0.00 0.00 55.69 53.19 1bwy s MET 108 Cb -0.05 -2.67 -0.02 0.00 1.25 0.00 0.00 34.83 33.34 1bwy s MET 108 CO 0.02 -0.69 0.17 0.14 1.05 0.00 0.00 175.02 175.71 1bwy s VAL 109 N 1.29 0.40 0.00 10.11 -7.23 -1.17 -4.91 120.40 118.90 1bwy s VAL 109 Ca -0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1bwy s VAL 109 Cb -0.19 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1bwy s VAL 109 CO -0.08 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.04 1bwy n ASP 110 N -1.51 0.00 -1.50 4.85 2.03 -1.26 -2.35 116.55 116.81 1bwy n ASP 110 Ca -0.04 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.22 1bwy n ASP 110 Cb 0.64 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.03 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 0.96 3.27 0.27 0.00 -1.26 -5.12 105.19 103.30 1bwy n GLY 111 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.06 0.95 -0.22 1.61 1.02 -0.99 -4.84 119.74 117.20 1bwy s LYS 112 Ca 0.05 -0.76 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 1bwy s LYS 112 Cb 0.15 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.84 1bwy s LYS 112 CO -0.05 -0.34 -0.00 -1.17 -0.92 0.00 0.00 175.35 172.87 1bwy s LEU 113 N -2.70 3.17 -0.28 3.17 0.20 0.37 -3.03 118.68 119.58 1bwy s LEU 113 Ca 0.02 -0.27 -0.10 0.00 0.69 0.00 0.00 54.13 54.48 1bwy s LEU 113 Cb 0.02 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1bwy s LEU 113 CO -0.10 0.02 0.15 -0.63 -0.29 0.00 0.00 176.35 175.49 1bwy s ILE 114 N 1.27 4.84 -0.25 6.68 1.01 0.56 -0.49 121.20 134.83 1bwy s ILE 114 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1bwy s ILE 114 Cb -0.15 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 39.00 1bwy s ILE 114 CO 0.01 0.23 -0.03 -0.22 0.00 0.00 0.00 174.94 174.92 1bwy s LEU 115 N 1.68 3.21 -0.22 2.97 2.96 -1.18 -1.39 118.68 126.71 1bwy s LEU 115 Ca 0.06 -0.72 -0.14 0.00 -0.22 0.00 0.00 54.13 53.11 1bwy s LEU 115 Cb -0.16 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1bwy s LEU 115 CO 0.08 -0.11 0.33 -0.89 -1.32 0.00 0.00 176.35 174.43 1bwy s THR 116 N 1.39 5.24 -0.43 3.68 2.01 -0.66 -0.66 115.64 126.22 1bwy s THR 116 Ca 0.02 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.58 1bwy s THR 116 Cb -0.16 -3.66 0.12 0.00 0.01 0.00 0.00 72.50 68.81 1bwy s THR 116 CO -0.03 0.26 0.19 -0.22 -0.69 0.00 0.00 174.62 174.13 1bwy s LEU 117 N 1.36 3.51 0.03 4.42 1.98 0.14 -2.78 118.68 127.33 1bwy s LEU 117 Ca 0.15 -2.52 -0.05 0.00 -2.89 0.00 0.00 54.13 48.82 1bwy s LEU 117 Cb -0.15 -1.31 -0.01 0.00 0.66 0.00 0.00 46.19 45.39 1bwy s LEU 117 CO 0.07 -0.30 0.09 -0.89 -1.89 0.00 0.00 176.35 173.43 1bwy s THR 118 N 0.44 0.12 -0.27 3.68 2.01 -1.18 -0.86 115.64 119.58 1bwy s THR 118 Ca 0.15 -1.01 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 1bwy s THR 118 Cb -0.23 -0.74 0.08 0.00 0.01 0.00 0.00 72.50 71.61 1bwy s THR 118 CO -0.05 -0.55 0.74 -1.38 -0.69 0.00 0.00 174.62 172.69 1bwy s HIS 119 N -2.26 -0.80 0.00 4.92 -3.43 -0.03 -1.16 115.29 112.53 1bwy s HIS 119 Ca -0.08 1.89 0.00 0.00 -0.80 0.00 0.00 55.06 56.07 1bwy s HIS 119 Cb -0.03 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 1bwy s HIS 119 CO -0.03 -0.39 0.00 0.41 -2.00 0.00 0.00 174.74 172.73 1bwy n GLY 120 N 2.88 2.88 0.13 -1.38 0.00 -1.26 -0.89 105.19 107.55 1bwy n GLY 120 Ca -0.15 0.29 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1bwy n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwy h THR 121 N 0.00 1.47 -3.48 2.61 1.03 -2.03 -3.45 112.91 109.07 1bwy h THR 121 Ca 0.00 -2.32 -0.61 0.00 -0.01 0.00 0.00 66.41 63.47 1bwy h THR 121 Cb 0.00 2.25 -0.13 0.00 -1.07 0.00 0.00 68.15 69.20 1bwy h THR 121 CO 0.00 0.67 -0.37 0.00 -0.01 0.00 0.00 175.52 175.80 1bwy s ALA 122 N -3.48 3.60 0.03 0.00 0.00 -0.07 -5.07 121.76 116.77 1bwy s ALA 122 Ca -0.02 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1bwy s ALA 122 Cb 0.12 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1bwy s ALA 122 CO 0.79 -0.16 -0.19 0.54 0.00 0.00 0.00 175.76 176.74 1bwy s VAL 123 N 0.99 2.69 0.00 0.00 0.11 -1.26 -0.85 120.40 122.08 1bwy s VAL 123 Ca 0.13 -1.16 -0.15 0.00 -2.93 0.00 0.00 61.98 57.86 1bwy s VAL 123 Cb -0.14 -2.10 0.02 0.00 -1.53 0.00 0.00 36.38 32.64 1bwy s VAL 123 CO 0.05 0.38 0.33 0.00 -3.33 0.00 0.00 175.10 172.53 1bwy s THR 125 N -1.68 2.97 -0.40 0.00 -4.23 -1.26 -0.69 115.64 110.35 1bwy s THR 125 Ca -0.11 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1bwy s THR 125 Cb -0.04 -2.20 0.16 0.00 1.34 0.00 0.00 72.50 71.76 1bwy s THR 125 CO 0.02 0.47 0.31 -0.60 -0.54 0.00 0.00 174.62 174.29 1bwy s ARG 126 N -1.07 0.84 0.23 3.99 3.52 0.17 -3.47 118.95 123.16 1bwy s ARG 126 Ca 0.13 -1.95 -0.25 0.00 -0.13 0.00 0.00 55.73 53.53 1bwy s ARG 126 Cb -0.11 -1.41 -0.09 0.00 -1.56 0.00 0.00 34.95 31.79 1bwy s ARG 126 CO 0.03 -1.35 0.83 -0.08 -0.81 0.00 0.00 175.30 173.92 1bwy s THR 127 N 0.27 4.33 0.40 4.11 -1.32 0.27 -3.08 115.64 120.61 1bwy s THR 127 Ca 0.30 1.69 0.07 0.00 -1.21 0.00 0.00 61.69 62.55 1bwy s THR 127 Cb -0.02 -4.07 -0.08 0.00 -1.51 0.00 0.00 72.50 66.82 1bwy s THR 127 CO -0.15 0.35 -0.01 -0.31 -2.21 0.00 0.00 174.62 172.29 1bwy s TYR 128 N -1.36 2.50 -0.22 9.09 1.51 0.36 -2.03 117.35 127.20 1bwy s TYR 128 Ca 0.42 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1bwy s TYR 128 Cb -0.21 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1bwy s TYR 128 CO 0.25 0.47 -0.11 -1.21 -1.11 0.00 0.00 175.55 173.85 1bwy s GLU 129 N -3.69 2.96 -0.46 -0.62 2.02 0.32 -0.47 118.70 118.75 1bwy s GLU 129 Ca 0.35 -0.88 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 1bwy s GLU 129 Cb 0.08 -2.85 0.01 0.00 0.10 0.00 0.00 34.13 31.48 1bwy s GLU 129 CO 0.18 -0.31 1.40 0.21 0.02 0.00 0.00 175.26 176.76 1bwy s LYS 130 N 1.33 3.50 0.13 1.61 2.36 -1.26 -0.88 119.74 126.53 1bwy s LYS 130 Ca 0.02 0.78 0.04 0.00 -2.55 0.00 0.00 55.97 54.26 1bwy s LYS 130 Cb -0.15 -4.05 -0.16 0.00 -1.05 0.00 0.00 37.83 32.42 1bwy s LYS 130 CO -0.07 -1.66 1.28 -0.56 1.55 0.00 0.00 175.35 175.89 1bwy h GLN 131 N 10.73 0.09 0.00 4.03 3.07 -1.35 -3.49 115.11 128.19 1bwy h GLN 131 Ca -0.27 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.34 1bwy h GLN 131 Cb 1.10 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1bwy h GLN 131 CO 1.11 1.02 0.00 0.00 0.09 0.00 0.00 178.83 181.05