#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 2.27 0.00 6.55 9.92 -1.26 -1.37 116.55 132.66 1bwy n ASP 2 Ca 0.00 -2.33 0.00 0.00 -0.53 0.00 0.00 54.79 51.93 1bwy n ASP 2 Cb 0.00 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 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 5.98 0.00 -0.16 2.24 0.00 -1.26 -4.98 120.51 122.33 1bwy n ALA 3 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.69 1bwy n ALA 3 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.66 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 0.65 0.00 0.00 0.04 -1.61 -3.44 116.94 112.58 1bwy h PHE 4 Ca 0.00 -0.02 -0.55 0.00 2.80 0.00 0.00 57.97 60.21 1bwy h PHE 4 Cb 0.00 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 1bwy h PHE 4 CO 0.00 0.49 1.30 0.28 -0.60 0.00 0.00 178.31 179.78 1bwy n VAL 5 N -4.67 0.00 0.00 -0.55 0.31 -1.26 -4.65 118.33 107.51 1bwy n VAL 5 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1bwy n VAL 5 Cb 0.09 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 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 5.99 0.87 3.41 2.92 0.00 -0.04 -5.02 105.19 113.32 1bwy n GLY 6 Ca 0.51 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.09 3.87 0.29 2.61 2.01 -1.25 -0.76 115.64 120.32 1bwy s THR 7 Ca 0.00 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.73 1bwy s THR 7 Cb 0.00 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1bwy s THR 7 CO 0.00 0.41 0.32 0.26 -0.69 0.00 0.00 174.62 174.92 1bwy s TRP 8 N 1.23 3.15 -0.05 4.92 0.52 0.62 -0.89 118.94 128.44 1bwy s TRP 8 Ca 0.03 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.02 1bwy s TRP 8 Cb -0.15 -1.67 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1bwy s TRP 8 CO 0.01 0.30 -0.12 0.15 0.02 0.00 0.00 176.95 177.31 1bwy s LYS 9 N -3.99 1.47 0.17 4.98 -0.14 0.72 -0.60 119.74 122.34 1bwy s LYS 9 Ca 0.38 -0.41 -0.31 0.00 -1.36 0.00 0.00 55.97 54.26 1bwy s LYS 9 Cb -0.08 -1.27 -0.09 0.00 -1.68 0.00 0.00 37.83 34.71 1bwy s LYS 9 CO 0.28 0.10 1.46 -1.17 -0.76 0.00 0.00 175.35 175.25 1bwy s LEU 10 N 0.40 4.38 -0.05 3.17 0.20 -0.73 -0.83 118.68 125.21 1bwy s LEU 10 Ca -0.09 2.51 0.24 0.00 0.69 0.00 0.00 54.13 57.48 1bwy s LEU 10 Cb -0.13 -3.60 0.44 0.00 -0.43 0.00 0.00 46.19 42.47 1bwy s LEU 10 CO 0.02 -0.71 1.17 0.55 -0.29 0.00 0.00 176.35 177.09 1bwy n VAL 11 N 3.52 0.42 -3.53 1.68 3.14 0.01 -4.76 118.33 118.81 1bwy n VAL 11 Ca 0.11 -1.50 -0.07 0.00 -2.96 0.00 0.00 64.34 59.91 1bwy n VAL 11 Cb 0.40 0.85 -0.02 0.00 -1.06 0.00 0.00 33.84 34.01 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 -2.35 -0.29 0.00 6.55 2.15 -1.01 -4.84 116.67 116.88 1bwy s ASP 12 Ca 0.34 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.34 1bwy s ASP 12 Cb 0.38 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1bwy s ASP 12 CO -0.14 -0.49 0.00 -0.24 -0.17 0.00 0.00 175.17 174.13 1bwy n SER 13 N -0.15 0.00 -4.05 -0.34 2.88 -1.26 -4.29 113.62 106.41 1bwy n SER 13 Ca -0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.35 1bwy n SER 13 Cb 0.60 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.95 1bwy n SER 13 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bwy s LYS 14 N 0.00 0.52 -1.39 -1.46 2.47 -1.24 -4.84 119.74 113.80 1bwy s LYS 14 Ca 0.00 -0.69 -0.08 0.00 -1.56 0.00 0.00 55.97 53.65 1bwy s LYS 14 Cb 0.00 -0.31 0.05 0.00 -1.46 0.00 0.00 37.83 36.10 1bwy s LYS 14 CO 0.00 0.06 0.55 -1.71 0.16 0.00 0.00 175.35 174.40 1bwy n ASN 15 N 1.65 -4.63 0.11 1.43 5.15 -1.26 -3.76 115.26 113.96 1bwy n ASN 15 Ca -0.21 -0.36 0.12 0.00 -0.60 0.00 0.00 54.58 53.52 1bwy n ASN 15 Cb 0.55 -3.78 0.05 0.00 -0.53 0.00 0.00 39.78 36.07 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1bwy h PHE 16 N -1.15 0.00 0.00 1.20 3.04 -1.90 -3.14 116.94 114.99 1bwy h PHE 16 Ca -0.47 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.34 1bwy h PHE 16 Cb 1.32 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.81 1bwy h PHE 16 CO 0.62 0.00 -0.91 -0.44 -2.02 0.00 0.00 178.31 175.55 1bwy h ASP 17 N 0.00 0.00 -0.97 0.41 5.19 -1.94 -3.15 116.42 115.96 1bwy h ASP 17 Ca 0.00 -0.40 0.21 0.00 -0.62 0.00 0.00 57.03 56.23 1bwy h ASP 17 Cb 0.96 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.35 1bwy h ASP 17 CO 0.00 1.22 0.55 -0.78 -3.12 0.00 0.00 179.24 177.11 1bwy h ASP 18 N -1.00 0.64 -0.53 6.45 3.58 -1.93 -0.53 116.42 123.10 1bwy h ASP 18 Ca -0.22 0.12 0.11 0.00 0.42 0.00 0.00 57.03 57.46 1bwy h ASP 18 Cb 1.02 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.99 1bwy h ASP 18 CO -0.13 0.15 -0.16 0.22 -2.88 0.00 0.00 179.24 176.44 1bwy h TYR 19 N 0.61 -0.37 -0.67 0.28 3.20 -1.57 0.43 116.97 118.88 1bwy h TYR 19 Ca 0.59 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.49 1bwy h TYR 19 Cb 1.03 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 1bwy h TYR 19 CO -0.04 -0.26 0.33 1.98 -1.64 0.00 0.00 178.16 178.54 1bwy h MET 20 N -0.04 0.95 -3.64 1.82 4.05 -1.08 -2.19 114.93 114.79 1bwy h MET 20 Ca 0.25 -0.12 -0.40 0.00 -0.28 0.00 0.00 59.70 59.15 1bwy h MET 20 Cb 0.42 -0.18 0.02 0.00 -0.80 0.00 0.00 31.60 31.06 1bwy h MET 20 CO -0.56 0.72 2.46 1.17 0.23 0.00 0.00 176.91 180.93 1bwy n LYS 21 N -4.35 1.86 0.00 0.39 4.81 0.14 -0.69 118.16 120.32 1bwy n LYS 21 Ca 0.06 -1.46 0.00 0.00 -0.87 0.00 0.00 58.31 56.04 1bwy n LYS 21 Cb 0.12 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.68 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 4.79 0.00 0.06 3.14 7.64 -1.23 -4.94 113.62 123.09 1bwy n SER 22 Ca 0.43 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.15 1bwy n SER 22 Cb 0.17 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.33 -1.94 -3.43 3.38 -0.97 -3.49 115.31 109.20 1bwy h LEU 23 Ca 0.00 -0.45 -0.24 0.00 0.09 0.00 0.00 57.88 57.28 1bwy h LEU 23 Cb 0.00 -0.11 0.14 0.00 0.09 0.00 0.00 40.66 40.78 1bwy h LEU 23 CO 0.00 1.37 -0.63 0.61 0.09 0.00 0.00 178.44 179.88 1bwy n GLY 24 N 1.61 -0.33 1.67 0.83 0.00 0.13 -4.96 105.19 104.15 1bwy n GLY 24 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1bwy n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bwy n VAL 25 N -3.31 0.10 0.23 1.61 0.24 -1.26 -5.00 118.33 110.93 1bwy n VAL 25 Ca -0.18 0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 1bwy n VAL 25 Cb 0.62 -0.84 -0.04 0.00 -1.47 0.00 0.00 33.84 32.11 1bwy n VAL 25 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1bwy h GLY 26 N 0.00 -0.60 -7.14 7.63 0.00 -1.85 -3.43 103.07 97.67 1bwy h GLY 26 Ca 0.00 0.22 -0.52 0.00 0.00 0.00 0.00 47.33 47.03 1bwy h GLY 26 CO 0.00 -0.22 1.67 0.33 0.00 0.00 0.00 176.54 178.33 1bwy n PHE 27 N -3.60 0.88 0.00 5.60 -0.00 -1.26 0.00 117.46 119.08 1bwy n PHE 27 Ca -0.07 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1bwy n PHE 27 Cb 0.23 -2.44 0.00 0.00 -0.00 0.00 0.00 39.48 37.26 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bwy n ALA 28 N 11.51 0.00 -0.02 3.13 0.00 -1.26 -4.87 120.51 129.00 1bwy n ALA 28 Ca 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 54.00 1bwy n ALA 28 Cb 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 0.31 -0.17 0.00 -1.04 0.10 -4.60 114.28 108.88 1bwy n THR 29 Ca 0.00 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 61.66 1bwy n THR 29 Cb 0.00 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 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 0.87 -0.90 -2.82 -0.00 -0.97 -3.24 114.38 107.32 1bwy h ARG 30 Ca -0.12 -0.29 0.17 0.00 -0.00 0.00 0.00 59.98 59.74 1bwy h ARG 30 Cb 1.05 -0.07 -0.07 0.00 -0.00 0.00 0.00 29.97 30.87 1bwy h ARG 30 CO 0.01 0.92 0.58 -0.56 -0.00 0.00 0.00 179.97 180.92 1bwy h GLN 31 N 0.72 0.59 -0.97 0.08 -0.00 -1.81 0.19 115.11 113.91 1bwy h GLN 31 Ca 0.13 -0.04 0.19 0.00 -0.00 0.00 0.00 58.65 58.93 1bwy h GLN 31 Cb 0.54 -0.13 -0.18 0.00 -0.00 0.00 0.00 27.48 27.71 1bwy h GLN 31 CO 0.03 0.39 -0.27 0.28 -0.00 0.00 0.00 178.83 179.26 1bwy n VAL 32 N -4.56 -0.43 0.17 1.86 0.31 -1.22 -0.43 118.33 114.03 1bwy n VAL 32 Ca 0.18 2.23 0.17 0.00 -0.01 0.00 0.00 64.34 66.91 1bwy n VAL 32 Cb 0.55 -3.06 0.78 0.00 -0.91 0.00 0.00 33.84 31.19 1bwy n VAL 32 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1bwy h GLY 33 N 0.00 0.00 -0.92 2.92 0.00 -0.79 0.45 103.07 104.73 1bwy h GLY 33 Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1bwy h GLY 33 CO -0.99 0.00 -0.18 1.16 0.00 0.00 0.00 176.54 176.53 1bwy n ASN 34 N -4.01 2.38 0.00 0.19 0.23 0.43 -4.56 115.26 109.92 1bwy n ASN 34 Ca 0.03 -3.47 0.00 0.00 -0.53 0.00 0.00 54.58 50.61 1bwy n ASN 34 Cb 0.36 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 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 -1.15 0.00 -3.89 -3.83 1.56 -0.07 -5.07 117.12 104.68 1bwy n MET 35 Ca 0.21 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.56 1bwy n MET 35 Cb 0.76 -0.14 -0.03 0.00 2.15 0.00 0.00 33.22 35.97 1bwy n MET 35 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1bwy s THR 36 N 0.00 0.00 -0.72 1.12 2.01 0.14 -4.93 115.64 113.26 1bwy s THR 36 Ca 0.00 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 60.96 1bwy s THR 36 Cb 0.00 -2.04 0.24 0.00 0.01 0.00 0.00 72.50 70.71 1bwy s THR 36 CO 0.00 -0.00 0.78 0.29 -0.69 0.00 0.00 174.62 175.00 1bwy n LYS 37 N -0.44 2.61 -1.41 4.92 4.76 -1.26 -4.66 118.16 122.67 1bwy n LYS 37 Ca -0.04 -4.61 -0.32 0.00 -2.87 0.00 0.00 58.31 50.48 1bwy n LYS 37 Cb 0.60 -2.31 0.08 0.00 -1.84 0.00 0.00 35.03 31.56 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1bwy s PRO 38 N -2.21 2.38 0.32 1.97 0.04 -1.26 -4.82 135.00 131.42 1bwy s PRO 38 Ca 0.35 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.73 1bwy s PRO 38 Cb 0.08 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1bwy s PRO 38 CO -0.04 -1.56 0.43 0.95 0.04 0.00 0.00 177.00 176.82 1bwy s THR 39 N -2.68 4.15 -0.16 1.26 -4.23 0.15 -1.77 115.64 112.36 1bwy s THR 39 Ca 0.64 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1bwy s THR 39 Cb -0.19 -3.43 0.05 0.00 1.34 0.00 0.00 72.50 70.27 1bwy s THR 39 CO 0.51 -0.18 0.03 -0.89 -0.54 0.00 0.00 174.62 173.54 1bwy s THR 40 N -2.17 0.47 -0.06 3.99 2.01 0.23 -1.19 115.64 118.92 1bwy s THR 40 Ca 0.43 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 1bwy s THR 40 Cb -0.09 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1bwy s THR 40 CO 0.30 -0.07 0.98 -0.63 -0.69 0.00 0.00 174.62 174.52 1bwy s ILE 41 N 1.90 4.84 -0.25 1.82 1.01 -1.20 -0.28 121.20 129.04 1bwy s ILE 41 Ca 0.01 2.02 0.03 0.00 0.00 0.00 0.00 60.65 62.70 1bwy s ILE 41 Cb -0.16 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 38.07 1bwy s ILE 41 CO -0.07 0.09 -0.11 -0.63 0.00 0.00 0.00 174.94 174.21 1bwy s ILE 42 N 1.51 2.07 -0.26 2.92 -1.09 0.06 -1.66 121.20 124.75 1bwy s ILE 42 Ca 0.49 -1.52 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 1bwy s ILE 42 Cb -0.19 -2.18 0.01 0.00 -1.58 0.00 0.00 42.46 38.52 1bwy s ILE 42 CO 0.22 0.01 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.32 1bwy s GLU 43 N 1.16 3.01 -1.12 2.79 2.02 -0.37 -0.86 118.70 125.33 1bwy s GLU 43 Ca -0.07 -0.88 -0.21 0.00 0.02 0.00 0.00 54.97 53.82 1bwy s GLU 43 Cb -0.19 -3.10 0.04 0.00 0.10 0.00 0.00 34.13 30.97 1bwy s GLU 43 CO -0.06 -0.38 1.63 0.08 0.02 0.00 0.00 175.26 176.56 1bwy s VAL 44 N 1.40 3.92 0.75 2.63 1.01 -1.26 -0.81 120.40 128.04 1bwy s VAL 44 Ca 0.02 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 1bwy s VAL 44 Cb -0.16 -4.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.21 1bwy s VAL 44 CO -0.02 -1.81 0.43 0.59 0.00 0.00 0.00 175.10 174.29 1bwy n ASN 45 N 9.60 -1.62 -0.08 3.32 4.13 -0.78 -4.82 115.26 125.00 1bwy n ASN 45 Ca 0.40 0.54 -0.02 0.00 1.68 0.00 0.00 54.58 57.18 1bwy n ASN 45 Cb 0.49 -1.18 -0.02 0.00 -1.54 0.00 0.00 39.78 37.53 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bwy n GLY 46 N 1.74 -0.48 0.05 7.41 0.00 -1.26 -0.67 105.19 111.99 1bwy n GLY 46 Ca 0.09 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.24 1.68 -1.08 1.61 5.75 -1.26 -5.09 116.55 113.93 1bwy n ASP 47 Ca 0.01 -2.15 -0.01 0.00 -0.01 0.00 0.00 54.79 52.63 1bwy n ASP 47 Cb 0.05 -0.13 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 -0.65 0.00 -3.70 2.12 -2.24 0.16 -4.83 114.28 105.14 1bwy n THR 48 Ca 0.04 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1bwy n THR 48 Cb 0.42 0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.46 0.04 -0.01 2.28 0.11 -0.01 -1.87 120.40 118.49 1bwy s VAL 49 Ca 0.01 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 58.80 1bwy s VAL 49 Cb -0.00 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1bwy s VAL 49 CO 0.01 -0.18 -0.19 -0.51 -3.33 0.00 0.00 175.10 170.91 1bwy s ILE 50 N -1.16 1.48 0.04 7.04 2.07 0.01 -0.65 121.20 130.04 1bwy s ILE 50 Ca -0.12 -0.85 0.05 0.00 -1.41 0.00 0.00 60.65 58.32 1bwy s ILE 50 Cb -0.04 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 1bwy s ILE 50 CO 0.05 0.38 -0.15 -0.51 -1.91 0.00 0.00 174.94 172.80 1bwy s ILE 51 N -0.49 1.17 0.07 2.00 2.07 0.13 -1.24 121.20 124.91 1bwy s ILE 51 Ca 0.07 -1.01 0.03 0.00 -1.41 0.00 0.00 60.65 58.33 1bwy s ILE 51 Cb -0.07 -1.06 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 1bwy s ILE 51 CO -0.00 0.03 -0.10 -0.54 -1.91 0.00 0.00 174.94 172.42 1bwy s LYS 52 N -1.12 0.72 -0.79 3.50 -0.14 -0.67 -0.73 119.74 120.51 1bwy s LYS 52 Ca 0.02 -0.98 0.02 0.00 -1.36 0.00 0.00 55.97 53.67 1bwy s LYS 52 Cb -0.08 -0.46 0.31 0.00 -1.68 0.00 0.00 37.83 35.92 1bwy s LYS 52 CO 0.01 0.08 1.24 2.41 -0.76 0.00 0.00 175.35 178.33 1bwy n THR 53 N 0.98 4.15 -1.64 2.17 -1.04 -1.25 -3.26 114.28 114.38 1bwy n THR 53 Ca -0.19 -5.69 -0.42 0.00 -2.04 0.00 0.00 64.05 55.71 1bwy n THR 53 Cb 0.56 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 1bwy n THR 53 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1bwy s GLN 54 N -3.48 2.96 -0.36 -2.82 0.74 -0.34 -4.65 119.66 111.71 1bwy s GLN 54 Ca 0.42 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.67 1bwy s GLN 54 Cb 0.20 -4.39 0.09 0.00 1.10 0.00 0.00 33.01 30.01 1bwy s GLN 54 CO -0.08 -2.30 0.10 0.45 -0.55 0.00 0.00 175.29 172.90 1bwy s SER 55 N 8.77 4.98 0.00 6.67 0.15 -1.26 -0.68 113.70 132.33 1bwy s SER 55 Ca 0.98 -1.93 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1bwy s SER 55 Cb -0.29 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1bwy s SER 55 CO 0.33 -0.42 0.00 0.41 1.20 0.00 0.00 173.24 174.76 1bwy n THR 56 N 4.47 0.00 -2.03 6.45 -1.04 -1.26 -0.63 114.28 120.23 1bwy n THR 56 Ca -0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.94 1bwy n THR 56 Cb 0.42 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.88 1bwy n THR 56 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1bwy n PHE 57 N 0.00 0.00 -3.37 -1.42 7.35 -1.26 -5.08 117.46 113.68 1bwy n PHE 57 Ca 0.00 -0.39 -0.16 0.00 -0.76 0.00 0.00 57.45 56.14 1bwy n PHE 57 Cb 0.00 0.40 -0.08 0.00 0.35 0.00 0.00 39.48 40.14 1bwy n PHE 57 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1bwy s LYS 58 N 0.00 0.44 0.17 -4.13 0.00 0.19 -5.14 119.74 111.27 1bwy s LYS 58 Ca 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 55.97 55.43 1bwy s LYS 58 Cb 0.03 -0.62 0.06 0.00 0.00 0.00 0.00 37.83 37.29 1bwy s LYS 58 CO -0.01 -1.08 0.71 1.21 0.00 0.00 0.00 175.35 176.17 1bwy s ASN 59 N 2.10 -0.42 0.61 0.03 3.84 -1.26 -4.07 114.94 115.77 1bwy s ASN 59 Ca 0.12 -0.21 0.03 0.00 0.21 0.00 0.00 52.86 53.00 1bwy s ASN 59 Cb -0.14 0.60 0.08 0.00 -0.55 0.00 0.00 41.25 41.24 1bwy s ASN 59 CO -0.23 -1.02 0.85 0.42 -2.79 0.00 0.00 177.10 174.32 1bwy s THR 60 N -3.67 2.37 0.11 -5.21 -4.23 -1.26 -4.94 115.64 98.81 1bwy s THR 60 Ca 0.05 -0.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1bwy s THR 60 Cb -0.02 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1bwy s THR 60 CO -0.05 0.00 -0.17 -1.83 -0.54 0.00 0.00 174.62 172.03 1bwy s GLU 61 N -4.86 1.04 -0.02 3.99 -1.05 -1.26 -3.83 118.70 112.71 1bwy s GLU 61 Ca 0.62 -1.17 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 1bwy s GLU 61 Cb -0.07 -1.10 -0.00 0.00 -0.44 0.00 0.00 34.13 32.52 1bwy s GLU 61 CO 0.40 0.23 -0.11 0.42 0.95 0.00 0.00 175.26 177.15 1bwy s ILE 62 N -1.63 0.94 0.07 1.83 1.01 0.09 -5.00 121.20 118.50 1bwy s ILE 62 Ca 0.07 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.31 1bwy s ILE 62 Cb -0.08 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1bwy s ILE 62 CO 0.04 0.28 -0.19 -0.94 0.00 0.00 0.00 174.94 174.12 1bwy s SER 63 N -0.06 2.29 0.18 3.58 1.04 -1.26 -0.69 113.70 118.78 1bwy s SER 63 Ca 0.01 -0.58 -0.23 0.00 0.48 0.00 0.00 55.95 55.63 1bwy s SER 63 Cb -0.07 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 65.96 1bwy s SER 63 CO 0.00 0.08 0.67 0.72 0.98 0.00 0.00 173.24 175.69 1bwy s PHE 64 N -0.98 -0.41 -0.16 5.02 -0.71 0.18 -5.00 117.98 115.93 1bwy s PHE 64 Ca 0.05 0.13 -0.10 0.00 -1.04 0.00 0.00 56.93 55.97 1bwy s PHE 64 Cb -0.09 0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 42.28 1bwy s PHE 64 CO 0.03 -0.94 0.18 0.21 -1.34 0.00 0.00 175.22 173.36 1bwy s LYS 65 N -3.73 3.96 -1.28 1.99 2.47 -1.26 -0.83 119.74 121.05 1bwy s LYS 65 Ca 0.05 -0.09 -0.12 0.00 -1.56 0.00 0.00 55.97 54.24 1bwy s LYS 65 Cb -0.02 -3.34 -0.05 0.00 -1.46 0.00 0.00 37.83 32.95 1bwy s LYS 65 CO -0.06 0.46 2.39 1.47 0.16 0.00 0.00 175.35 179.77 1bwy n LEU 66 N 2.95 6.62 0.00 5.43 -0.00 -1.26 -3.51 117.00 127.23 1bwy n LEU 66 Ca -0.16 -3.74 0.00 0.00 -0.00 0.00 0.00 56.01 52.11 1bwy n LEU 66 Cb 0.53 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 1bwy n LEU 66 CO 0.36 1.07 0.00 0.61 -0.00 0.00 0.00 177.39 179.43 1bwy n GLY 67 N 3.93 -1.13 3.50 1.47 0.00 -0.75 -4.61 105.19 107.61 1bwy n GLY 67 Ca 0.59 0.30 -0.08 0.00 0.00 0.00 0.00 46.02 46.83 1bwy n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s VAL 68 N 0.00 0.00 0.30 1.61 0.11 0.02 -4.98 120.40 117.46 1bwy s VAL 68 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1bwy s VAL 68 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1bwy s VAL 68 CO 0.00 0.00 0.64 -1.61 -3.33 0.00 0.00 175.10 170.80 1bwy s GLU 69 N -3.07 3.82 -0.04 1.54 2.02 -1.26 -0.90 118.70 120.81 1bwy s GLU 69 Ca 0.05 0.37 -0.29 0.00 0.02 0.00 0.00 54.97 55.12 1bwy s GLU 69 Cb -0.01 -2.54 0.06 0.00 0.10 0.00 0.00 34.13 31.74 1bwy s GLU 69 CO -0.09 0.19 0.63 -0.59 0.02 0.00 0.00 175.26 175.42 1bwy s PHE 70 N -2.01 -0.59 0.22 1.61 -0.71 0.34 -4.98 117.98 111.87 1bwy s PHE 70 Ca 0.49 1.00 -0.26 0.00 -1.04 0.00 0.00 56.93 57.12 1bwy s PHE 70 Cb -0.11 0.37 -0.09 0.00 -1.21 0.00 0.00 43.02 41.98 1bwy s PHE 70 CO 0.23 -0.58 0.84 0.34 -1.34 0.00 0.00 175.22 174.72 1bwy s ASP 71 N -1.23 7.42 0.06 1.98 2.15 -1.26 -0.46 116.67 125.33 1bwy s ASP 71 Ca -0.11 1.74 0.00 0.00 0.43 0.00 0.00 52.55 54.61 1bwy s ASP 71 Cb -0.01 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1bwy s ASP 71 CO 0.09 0.13 -0.05 -0.70 -0.17 0.00 0.00 175.17 174.47 1bwy s GLU 72 N -1.40 0.60 -0.17 4.34 2.56 0.71 -4.87 118.70 120.46 1bwy s GLU 72 Ca 0.40 -1.08 -0.06 0.00 0.00 0.00 0.00 54.97 54.24 1bwy s GLU 72 Cb -0.22 0.02 0.08 0.00 2.00 0.00 0.00 34.13 36.01 1bwy s GLU 72 CO 0.27 -0.05 0.35 -0.08 -0.56 0.00 0.00 175.26 175.18 1bwy s THR 73 N -3.06 -0.54 -0.07 -1.70 -1.32 -1.26 -0.65 115.64 107.04 1bwy s THR 73 Ca 0.02 0.18 -0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1bwy s THR 73 Cb 0.02 -0.59 0.02 0.00 -1.51 0.00 0.00 72.50 70.44 1bwy s THR 73 CO -0.06 0.06 0.25 0.28 -2.21 0.00 0.00 174.62 172.95 1bwy s THR 74 N 2.52 0.02 0.27 5.08 -1.32 -0.24 -4.95 115.64 117.02 1bwy s THR 74 Ca 0.01 -0.20 -0.03 0.00 -1.21 0.00 0.00 61.69 60.26 1bwy s THR 74 Cb -0.12 -0.43 0.27 0.00 -1.51 0.00 0.00 72.50 70.71 1bwy s THR 74 CO -0.11 -0.11 1.90 0.00 -2.21 0.00 0.00 174.62 174.08 1bwy h ALA 75 N 5.15 1.38 -0.43 11.08 0.00 -2.01 0.36 119.26 134.79 1bwy h ALA 75 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bwy h ALA 75 Cb 1.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1bwy h ALA 75 CO 0.36 0.49 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 1bwy n ASP 76 N -4.47 4.51 0.00 0.00 5.75 -1.26 -4.28 116.55 116.80 1bwy n ASP 76 Ca 0.15 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 1bwy n ASP 76 Cb 0.15 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 0.49 0.00 0.00 -1.12 -0.08 -1.05 -4.72 116.55 110.07 1bwy n ASP 77 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1bwy n ASP 77 Cb 0.95 0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.46 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 -1.74 0.00 -2.91 -0.67 1.74 0.12 -4.92 116.66 108.29 1bwy n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1bwy n ARG 78 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 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 4.06 -0.02 5.56 2.36 -1.26 -1.08 119.74 129.37 1bwy s LYS 79 Ca 0.00 0.76 -0.03 0.00 -2.55 0.00 0.00 55.97 54.15 1bwy s LYS 79 Cb 0.00 -3.69 0.00 0.00 -1.05 0.00 0.00 37.83 33.09 1bwy s LYS 79 CO 0.00 -0.61 0.07 0.14 1.55 0.00 0.00 175.35 176.50 1bwy s VAL 80 N 2.93 0.02 -0.08 4.02 -7.23 0.17 -4.76 120.40 115.47 1bwy s VAL 80 Ca 0.34 -0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 60.05 1bwy s VAL 80 Cb -0.15 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1bwy s VAL 80 CO 0.10 -0.09 0.96 -0.75 -0.31 0.00 0.00 175.10 175.02 1bwy s LYS 81 N -0.26 4.45 -0.00 4.82 2.20 0.49 -0.21 119.74 131.23 1bwy s LYS 81 Ca -0.03 1.33 -0.07 0.00 -0.36 0.00 0.00 55.97 56.84 1bwy s LYS 81 Cb -0.02 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1bwy s LYS 81 CO 0.00 -0.22 0.27 -1.12 -0.36 0.00 0.00 175.35 173.92 1bwy s SER 82 N 1.06 6.51 -0.04 1.43 0.01 0.39 -0.49 113.70 122.57 1bwy s SER 82 Ca 0.48 0.59 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1bwy s SER 82 Cb -0.19 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1bwy s SER 82 CO 0.20 0.27 -0.01 -0.51 0.41 0.00 0.00 173.24 173.60 1bwy s ILE 83 N -1.26 0.31 -0.02 1.44 2.07 0.19 -0.50 121.20 123.44 1bwy s ILE 83 Ca 0.26 0.04 0.07 0.00 -1.41 0.00 0.00 60.65 59.61 1bwy s ILE 83 Cb -0.13 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 1bwy s ILE 83 CO 0.15 0.19 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.44 1bwy s VAL 84 N 1.20 1.89 0.32 4.00 1.01 -0.07 -1.00 120.40 127.74 1bwy s VAL 84 Ca -0.07 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 1bwy s VAL 84 Cb -0.13 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1bwy s VAL 84 CO -0.02 0.53 0.72 -0.89 0.00 0.00 0.00 175.10 175.45 1bwy s THR 85 N -0.55 0.00 0.14 3.92 2.01 -0.86 -0.80 115.64 119.50 1bwy s THR 85 Ca 0.09 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 61.12 1bwy s THR 85 Cb -0.09 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1bwy s THR 85 CO -0.01 0.00 -0.19 -1.48 -0.69 0.00 0.00 174.62 172.26 1bwy s LEU 86 N -3.00 2.40 0.01 4.42 0.05 -1.26 0.03 118.68 121.33 1bwy s LEU 86 Ca 0.14 -0.81 0.03 0.00 0.05 0.00 0.00 54.13 53.55 1bwy s LEU 86 Cb -0.05 -0.82 -0.01 0.00 -2.05 0.00 0.00 46.19 43.26 1bwy s LEU 86 CO 0.09 -0.02 -0.10 1.51 -0.55 0.00 0.00 176.35 177.28 1bwy s ASP 87 N -2.44 1.19 0.00 1.48 1.47 -0.07 -4.92 116.67 113.38 1bwy s ASP 87 Ca 0.13 -0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.55 1bwy s ASP 87 Cb -0.07 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.42 1bwy s ASP 87 CO 0.06 0.04 0.00 0.61 0.68 0.00 0.00 175.17 176.55 1bwy n GLY 88 N 2.36 0.50 0.51 2.12 0.00 -1.26 -0.56 105.19 108.86 1bwy n GLY 88 Ca -0.16 0.47 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 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 0.83 3.20 -0.02 0.00 -1.26 -5.14 105.19 102.80 1bwy n GLY 89 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.33 -0.20 1.61 3.01 0.28 -4.95 119.74 121.82 1bwy s LYS 90 Ca 0.00 -0.78 -0.24 0.00 -1.01 0.00 0.00 55.97 53.94 1bwy s LYS 90 Cb 0.00 -1.94 -0.01 0.00 -1.01 0.00 0.00 37.83 34.86 1bwy s LYS 90 CO 0.00 0.29 0.77 -0.48 0.51 0.00 0.00 175.35 176.44 1bwy s LEU 91 N 0.02 4.13 -0.45 3.17 0.05 -1.15 -0.89 118.68 123.56 1bwy s LEU 91 Ca -0.07 1.02 -0.20 0.00 0.05 0.00 0.00 54.13 54.93 1bwy s LEU 91 Cb -0.14 -3.11 0.03 0.00 -2.05 0.00 0.00 46.19 40.92 1bwy s LEU 91 CO 0.04 -0.40 0.62 0.68 -0.55 0.00 0.00 176.35 176.74 1bwy s VAL 92 N 2.32 4.86 -0.85 1.48 -7.23 0.10 -2.72 120.40 118.36 1bwy s VAL 92 Ca 0.34 -0.06 -0.17 0.00 -1.81 0.00 0.00 61.98 60.29 1bwy s VAL 92 Cb -0.16 -4.21 0.17 0.00 0.56 0.00 0.00 36.38 32.74 1bwy s VAL 92 CO 0.10 -0.63 0.92 -2.28 -0.31 0.00 0.00 175.10 172.91 1bwy s HIS 93 N 2.72 3.41 0.18 2.82 5.04 0.41 -2.04 115.29 127.85 1bwy s HIS 93 Ca 0.20 -1.64 -0.13 0.00 -1.54 0.00 0.00 55.06 51.95 1bwy s HIS 93 Cb -0.15 -4.04 -0.07 0.00 0.04 0.00 0.00 32.58 28.35 1bwy s HIS 93 CO 0.17 -1.24 0.57 0.54 -2.34 0.00 0.00 174.74 172.45 1bwy s VAL 94 N 1.50 4.85 -0.13 0.89 0.11 -0.17 -0.53 120.40 126.91 1bwy s VAL 94 Ca 0.24 0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 60.01 1bwy s VAL 94 Cb -0.09 -3.70 0.06 0.00 -1.53 0.00 0.00 36.38 31.12 1bwy s VAL 94 CO -0.08 0.13 0.27 -1.58 -3.33 0.00 0.00 175.10 170.51 1bwy s GLN 95 N -2.25 0.16 -0.08 1.54 0.74 0.38 -0.63 119.66 119.52 1bwy s GLN 95 Ca 0.42 0.73 0.02 0.00 0.05 0.00 0.00 55.36 56.58 1bwy s GLN 95 Cb -0.14 -0.03 0.01 0.00 1.10 0.00 0.00 33.01 33.95 1bwy s GLN 95 CO 0.20 -0.27 -0.13 0.21 -0.55 0.00 0.00 175.29 174.75 1bwy s LYS 96 N 2.26 1.88 -0.23 1.67 2.20 0.35 -0.54 119.74 127.33 1bwy s LYS 96 Ca -0.00 -0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 54.99 1bwy s LYS 96 Cb -0.12 -1.59 -0.09 0.00 -1.51 0.00 0.00 37.83 34.52 1bwy s LYS 96 CO -0.09 -0.02 -0.35 -2.67 -0.36 0.00 0.00 175.35 171.86 1bwy n TRP 97 N 4.02 0.00 0.00 4.03 2.14 -1.21 -0.38 117.44 126.04 1bwy n TRP 97 Ca -0.21 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.36 1bwy n TRP 97 Cb 0.51 -0.75 0.00 0.00 -0.81 0.00 0.00 31.31 30.27 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 -4.35 0.00 0.17 -0.67 6.94 -1.26 -4.79 115.26 111.30 1bwy n ASN 98 Ca -0.34 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.24 1bwy n ASN 98 Cb 0.70 0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.44 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 -1.60 4.83 0.00 -2.03 -3.45 103.07 100.82 1bwy h GLY 99 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1bwy h GLY 99 CO 0.00 0.00 -0.04 -0.86 0.00 0.00 0.00 176.54 175.64 1bwy s GLN 100 N -3.94 1.96 0.13 4.80 1.03 -1.26 -5.19 119.66 117.17 1bwy s GLN 100 Ca -0.02 -1.59 -0.00 0.00 0.04 0.00 0.00 55.36 53.79 1bwy s GLN 100 Cb 0.13 0.50 -0.04 0.00 0.03 0.00 0.00 33.01 33.63 1bwy s GLN 100 CO 0.73 -0.85 0.02 -1.83 -2.54 0.00 0.00 175.29 170.82 1bwy s GLU 101 N -2.98 0.91 0.12 9.60 1.03 -1.26 -3.30 118.70 122.82 1bwy s GLU 101 Ca 0.25 -1.42 0.07 0.00 0.03 0.00 0.00 54.97 53.90 1bwy s GLU 101 Cb -0.02 0.09 -0.04 0.00 -0.80 0.00 0.00 34.13 33.36 1bwy s GLU 101 CO 0.16 -0.19 -0.18 -0.08 -1.33 0.00 0.00 175.26 173.65 1bwy s THR 102 N -3.91 1.57 -0.19 1.83 -1.32 0.30 -3.90 115.64 110.03 1bwy s THR 102 Ca 0.20 -1.66 -0.03 0.00 -1.21 0.00 0.00 61.69 58.99 1bwy s THR 102 Cb 0.07 -1.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.48 1bwy s THR 102 CO -0.00 -0.24 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.18 1bwy s SER 103 N -2.23 4.46 -0.39 8.08 1.04 0.38 -0.47 113.70 124.57 1bwy s SER 103 Ca 0.09 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.15 1bwy s SER 103 Cb -0.08 -1.74 0.06 0.00 0.10 0.00 0.00 66.02 64.36 1bwy s SER 103 CO 0.04 0.07 0.21 -0.76 0.98 0.00 0.00 173.24 173.78 1bwy s LEU 104 N 0.93 4.88 -0.14 2.42 1.02 0.31 -0.87 118.68 127.23 1bwy s LEU 104 Ca -0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 54.13 52.75 1bwy s LEU 104 Cb -0.15 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 1bwy s LEU 104 CO 0.01 -0.46 -0.04 0.68 0.02 0.00 0.00 176.35 176.55 1bwy s VAL 105 N 1.42 3.85 0.01 -1.59 -7.23 -0.35 -0.44 120.40 116.06 1bwy s VAL 105 Ca 0.02 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 1bwy s VAL 105 Cb -0.22 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 1bwy s VAL 105 CO 0.03 0.51 -0.02 0.00 -0.31 0.00 0.00 175.10 175.30 1bwy s ARG 106 N 0.16 0.20 0.07 4.82 1.70 -1.10 -0.86 118.95 123.95 1bwy s ARG 106 Ca -0.02 -0.20 -0.25 0.00 -0.47 0.00 0.00 55.73 54.78 1bwy s ARG 106 Cb -0.14 -0.11 0.07 0.00 -0.57 0.00 0.00 34.95 34.20 1bwy s ARG 106 CO 0.03 0.03 0.60 -2.00 -1.08 0.00 0.00 175.30 172.88 1bwy s GLU 107 N -0.39 1.16 -0.23 3.89 2.12 -1.21 -2.95 118.70 121.10 1bwy s GLU 107 Ca -0.03 -0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.03 1bwy s GLU 107 Cb -0.03 0.54 -0.03 0.00 0.26 0.00 0.00 34.13 34.87 1bwy s GLU 107 CO -0.00 -0.45 0.06 1.41 -0.54 0.00 0.00 175.26 175.74 1bwy s MET 108 N -2.69 3.70 0.31 4.30 -2.45 -1.26 -0.52 119.30 120.70 1bwy s MET 108 Ca -0.04 -0.46 0.10 0.00 -1.25 0.00 0.00 55.69 54.04 1bwy s MET 108 Cb -0.01 -3.26 -0.05 0.00 1.25 0.00 0.00 34.83 32.76 1bwy s MET 108 CO -0.03 -0.07 -0.09 0.14 1.05 0.00 0.00 175.02 176.01 1bwy s VAL 109 N 1.28 2.56 0.00 10.11 -7.23 -1.20 -4.98 120.40 120.94 1bwy s VAL 109 Ca 0.05 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1bwy s VAL 109 Cb -0.15 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1bwy s VAL 109 CO 0.03 -0.29 0.00 -0.67 -0.31 0.00 0.00 175.10 173.86 1bwy n ASP 110 N -0.79 0.00 -0.29 4.85 2.03 -1.26 -2.69 116.55 118.40 1bwy n ASP 110 Ca -0.05 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.30 1bwy n ASP 110 Cb 0.62 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.05 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 -0.63 3.51 0.27 0.00 -1.26 -5.02 105.19 102.06 1bwy n GLY 111 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.61 2.99 -0.40 1.61 1.02 -1.10 -3.89 119.74 119.36 1bwy s LYS 112 Ca 0.09 -0.59 -0.20 0.00 0.02 0.00 0.00 55.97 55.29 1bwy s LYS 112 Cb 0.06 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1bwy s LYS 112 CO 0.09 0.50 0.58 -1.17 -0.92 0.00 0.00 175.35 174.44 1bwy s LEU 113 N -0.38 4.45 -0.72 3.17 0.20 0.25 -3.24 118.68 122.42 1bwy s LEU 113 Ca 0.05 -0.20 -0.20 0.00 0.69 0.00 0.00 54.13 54.47 1bwy s LEU 113 Cb -0.12 -2.66 0.10 0.00 -0.43 0.00 0.00 46.19 43.07 1bwy s LEU 113 CO 0.02 -0.64 0.94 -0.63 -0.29 0.00 0.00 176.35 175.75 1bwy s ILE 114 N 2.61 4.58 -0.05 6.68 1.09 0.32 -0.32 121.20 136.10 1bwy s ILE 114 Ca 0.21 -0.89 -0.22 0.00 -1.10 0.00 0.00 60.65 58.65 1bwy s ILE 114 Cb -0.15 -4.66 -0.04 0.00 -1.06 0.00 0.00 42.46 36.55 1bwy s ILE 114 CO 0.16 -1.38 0.66 -0.22 -0.10 0.00 0.00 174.94 174.05 1bwy s LEU 115 N 3.28 4.34 -0.04 2.97 2.96 -1.20 -3.31 118.68 127.68 1bwy s LEU 115 Ca 0.22 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.33 1bwy s LEU 115 Cb -0.15 -3.02 -0.00 0.00 0.50 0.00 0.00 46.19 43.52 1bwy s LEU 115 CO 0.04 -0.05 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.96 1bwy s THR 116 N 0.52 1.38 -0.29 3.68 2.01 -0.03 -0.36 115.64 122.54 1bwy s THR 116 Ca 0.35 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1bwy s THR 116 Cb -0.18 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.15 1bwy s THR 116 CO 0.17 0.40 0.08 -0.76 -0.69 0.00 0.00 174.62 173.82 1bwy s LEU 117 N 0.04 3.84 -0.09 4.42 2.01 0.33 -1.22 118.68 128.01 1bwy s LEU 117 Ca -0.03 -0.70 0.04 0.00 0.01 0.00 0.00 54.13 53.44 1bwy s LEU 117 Cb -0.11 -1.88 0.00 0.00 0.01 0.00 0.00 46.19 44.21 1bwy s LEU 117 CO 0.02 -0.19 -0.23 -0.89 1.01 0.00 0.00 176.35 176.07 1bwy s THR 118 N 1.50 1.96 0.22 5.49 2.01 -0.04 -0.30 115.64 126.47 1bwy s THR 118 Ca 0.03 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.15 1bwy s THR 118 Cb -0.17 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1bwy s THR 118 CO 0.02 0.54 -0.17 -2.28 -0.69 0.00 0.00 174.62 172.04 1bwy s HIS 119 N 0.34 1.91 0.43 4.92 5.04 -0.12 -0.47 115.29 127.34 1bwy s HIS 119 Ca -0.18 -0.48 0.23 0.00 -1.54 0.00 0.00 55.06 53.09 1bwy s HIS 119 Cb -0.17 -0.88 1.22 0.00 0.04 0.00 0.00 32.58 32.79 1bwy s HIS 119 CO 0.08 0.47 1.76 0.78 -2.34 0.00 0.00 174.74 175.48 1bwy h GLY 120 N 2.58 1.04 -6.04 1.59 0.00 -2.00 -3.29 103.07 96.94 1bwy h GLY 120 Ca -0.39 -0.16 -0.60 0.00 0.00 0.00 0.00 47.33 46.17 1bwy h GLY 120 CO 0.60 -0.15 -0.84 -1.59 0.00 0.00 0.00 176.54 174.55 1bwy s THR 121 N -5.38 1.60 0.00 4.70 2.01 -1.26 -5.07 115.64 112.24 1bwy s THR 121 Ca -0.08 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1bwy s THR 121 Cb 0.26 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1bwy s THR 121 CO 0.80 0.46 0.00 0.00 -0.69 0.00 0.00 174.62 175.19 1bwy n ALA 122 N 4.34 -0.48 -3.02 7.40 0.00 -1.24 -4.89 120.51 122.62 1bwy n ALA 122 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1bwy n ALA 122 Cb 0.51 -0.20 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 1bwy n ALA 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bwy s VAL 123 N -1.77 -0.00 -0.16 0.00 0.11 -1.26 -0.94 120.40 116.37 1bwy s VAL 123 Ca 0.00 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 1bwy s VAL 123 Cb 0.00 -0.17 0.06 0.00 -1.53 0.00 0.00 36.38 34.74 1bwy s VAL 123 CO 0.00 0.00 0.38 0.00 -3.33 0.00 0.00 175.10 172.16 1bwy s THR 125 N 1.59 4.62 -0.41 0.00 -4.23 -1.25 -0.51 115.64 115.45 1bwy s THR 125 Ca -0.08 1.01 0.08 0.00 -1.18 0.00 0.00 61.69 61.52 1bwy s THR 125 Cb -0.09 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.27 1bwy s THR 125 CO -0.12 -0.70 0.65 -1.14 -0.54 0.00 0.00 174.62 172.77 1bwy n ARG 126 N -1.64 0.77 -1.97 3.99 0.63 0.51 -3.65 116.66 115.30 1bwy n ARG 126 Ca 0.05 -2.89 -0.40 0.00 -0.92 0.00 0.00 57.85 53.69 1bwy n ARG 126 Cb 0.54 -1.32 -0.00 0.00 0.45 0.00 0.00 32.46 32.12 1bwy n ARG 126 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1bwy s THR 127 N -0.91 2.43 0.28 5.15 2.01 -1.25 -3.28 115.64 120.06 1bwy s THR 127 Ca 0.35 0.41 0.06 0.00 0.31 0.00 0.00 61.69 62.81 1bwy s THR 127 Cb 0.21 -3.25 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 1bwy s THR 127 CO -0.13 0.08 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.53 1bwy s TYR 128 N -1.19 1.89 0.07 4.92 1.51 0.56 -0.81 117.35 124.31 1bwy s TYR 128 Ca 0.54 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 1bwy s TYR 128 Cb -0.41 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1bwy s TYR 128 CO 0.54 0.20 -0.12 -2.00 -1.11 0.00 0.00 175.55 173.07 1bwy s GLU 129 N -3.76 0.77 -0.09 -0.62 2.12 -0.01 -0.58 118.70 116.52 1bwy s GLU 129 Ca 0.30 -0.96 -0.23 0.00 0.36 0.00 0.00 54.97 54.43 1bwy s GLU 129 Cb 0.05 -0.66 -0.03 0.00 0.26 0.00 0.00 34.13 33.75 1bwy s GLU 129 CO 0.12 0.13 0.71 0.21 -0.54 0.00 0.00 175.26 175.89 1bwy s LYS 130 N -1.95 4.39 -0.01 4.30 2.20 -1.25 -0.20 119.74 127.23 1bwy s LYS 130 Ca -0.02 0.86 0.12 0.00 -0.36 0.00 0.00 55.97 56.58 1bwy s LYS 130 Cb -0.08 -3.48 -0.16 0.00 -1.51 0.00 0.00 37.83 32.60 1bwy s LYS 130 CO 0.01 -0.02 0.37 0.00 -0.36 0.00 0.00 175.35 175.36 1bwy n GLN 131 N 4.09 1.62 0.00 4.03 10.64 -0.07 -4.94 117.38 132.75 1bwy n GLN 131 Ca -0.01 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1bwy n GLN 131 Cb 0.51 -1.18 0.00 0.00 -0.86 0.00 0.00 30.24 28.71 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23