#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 1.70 0.00 6.55 9.92 -1.26 -0.71 116.55 132.75 1bwy n ASP 2 Ca 0.00 -2.48 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 1bwy n ASP 2 Cb 0.00 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 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 7.59 0.00 -0.03 2.24 0.00 -1.26 -4.98 120.51 124.07 1bwy n ALA 3 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 1bwy n ALA 3 Cb 0.34 0.00 -0.13 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 0.29 -0.59 0.00 0.04 -1.32 -3.46 116.94 111.91 1bwy h PHE 4 Ca 0.00 -0.21 -0.68 0.00 2.80 0.00 0.00 57.97 59.88 1bwy h PHE 4 Cb 0.00 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1bwy h PHE 4 CO 0.00 1.50 1.43 0.28 -0.60 0.00 0.00 178.31 180.92 1bwy n VAL 5 N -4.09 0.08 0.00 -0.55 0.31 -1.21 -4.52 118.33 108.35 1bwy n VAL 5 Ca -0.26 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1bwy n VAL 5 Cb 0.81 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 6.87 0.21 3.77 2.92 0.00 0.43 -4.93 105.19 114.46 1bwy n GLY 6 Ca 0.49 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 4.44 0.00 2.61 2.01 -1.26 -0.69 115.64 122.75 1bwy s THR 7 Ca 0.00 1.69 0.01 0.00 0.31 0.00 0.00 61.69 63.71 1bwy s THR 7 Cb 0.00 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 1bwy s THR 7 CO 0.00 0.49 -0.05 -1.66 -0.69 0.00 0.00 174.62 172.71 1bwy s TRP 8 N -0.91 0.42 0.15 4.92 1.48 0.19 -0.42 118.94 124.76 1bwy s TRP 8 Ca 0.36 -0.13 0.06 0.00 -1.06 0.00 0.00 56.10 55.34 1bwy s TRP 8 Cb -0.23 -0.27 -0.04 0.00 -1.16 0.00 0.00 33.47 31.78 1bwy s TRP 8 CO 0.26 -0.02 0.07 -1.59 -4.06 0.00 0.00 176.95 171.61 1bwy s LYS 9 N -0.27 2.68 0.58 3.25 -2.85 0.47 -0.35 119.74 123.25 1bwy s LYS 9 Ca 0.00 -0.94 -0.19 0.00 -1.00 0.00 0.00 55.97 53.84 1bwy s LYS 9 Cb -0.03 -2.54 -0.05 0.00 -2.06 0.00 0.00 37.83 33.16 1bwy s LYS 9 CO -0.00 0.49 1.05 -0.11 0.10 0.00 0.00 175.35 176.88 1bwy n LEU 10 N -0.09 4.06 0.06 2.77 0.00 -1.17 -0.33 117.00 122.30 1bwy n LEU 10 Ca -0.09 0.85 0.00 0.00 0.00 0.00 0.00 56.01 56.77 1bwy n LEU 10 Cb 0.54 -1.43 0.00 0.00 0.00 0.00 0.00 43.42 42.54 1bwy n LEU 10 CO 0.41 -1.57 -0.04 0.55 0.00 0.00 0.00 177.39 176.75 1bwy n VAL 11 N -1.54 0.07 -4.44 1.96 3.14 -0.42 -4.69 118.33 112.41 1bwy n VAL 11 Ca 0.13 0.02 -0.30 0.00 -2.96 0.00 0.00 64.34 61.23 1bwy n VAL 11 Cb 0.46 -0.63 -0.11 0.00 -1.06 0.00 0.00 33.84 32.49 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 -5.06 4.11 0.02 6.55 1.01 -0.12 -4.99 116.67 118.20 1bwy s ASP 12 Ca 0.00 -0.40 -0.28 0.00 0.71 0.00 0.00 52.55 52.58 1bwy s ASP 12 Cb 0.00 -0.73 0.07 0.00 1.01 0.00 0.00 42.92 43.27 1bwy s ASP 12 CO 0.00 0.22 0.67 -0.55 0.21 0.00 0.00 175.17 175.72 1bwy s SER 13 N -1.78 -0.61 0.07 0.27 0.15 -1.26 -0.39 113.70 110.14 1bwy s SER 13 Ca 0.17 0.43 -0.24 0.00 0.70 0.00 0.00 55.95 57.02 1bwy s SER 13 Cb -0.11 0.55 0.06 0.00 -1.71 0.00 0.00 66.02 64.81 1bwy s SER 13 CO 0.09 -0.73 0.57 -0.75 1.20 0.00 0.00 173.24 173.62 1bwy s LYS 14 N -2.16 1.12 0.00 5.44 2.47 -0.75 -4.98 119.74 120.88 1bwy s LYS 14 Ca -0.06 -0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.11 1bwy s LYS 14 Cb -0.00 0.52 0.00 0.00 -1.46 0.00 0.00 37.83 36.88 1bwy s LYS 14 CO 0.01 -0.43 0.00 0.09 0.16 0.00 0.00 175.35 175.18 1bwy n ASN 15 N 0.20 0.00 -0.32 1.43 4.13 -1.26 -3.83 115.26 115.61 1bwy n ASN 15 Ca -0.18 0.00 0.20 0.00 1.68 0.00 0.00 54.58 56.28 1bwy n ASN 15 Cb 0.61 -1.17 0.40 0.00 -1.54 0.00 0.00 39.78 38.09 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 0.74 0.00 3.10 3.04 -1.86 0.03 116.94 121.99 1bwy h PHE 16 Ca 0.00 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 1bwy h PHE 16 Cb 0.00 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1bwy h PHE 16 CO 0.00 -0.16 -0.28 -0.44 -2.02 0.00 0.00 178.31 175.40 1bwy h ASP 17 N 0.31 0.00 -0.08 0.41 3.32 -1.99 0.18 116.42 118.57 1bwy h ASP 17 Ca 0.67 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.64 1bwy h ASP 17 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1bwy h ASP 17 CO -0.61 0.28 -0.23 -0.78 -1.72 0.00 0.00 179.24 176.18 1bwy h ASP 18 N 0.00 0.35 -0.27 6.45 3.58 -1.38 -3.18 116.42 121.97 1bwy h ASP 18 Ca -0.00 -0.60 0.06 0.00 0.42 0.00 0.00 57.03 56.91 1bwy h ASP 18 Cb 0.80 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.69 1bwy h ASP 18 CO 0.04 0.88 -0.15 0.22 -2.88 0.00 0.00 179.24 177.35 1bwy h TYR 19 N -0.17 -0.37 -0.77 0.28 5.03 -0.34 -1.39 116.97 119.24 1bwy h TYR 19 Ca -0.00 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.38 1bwy h TYR 19 Cb 0.84 0.20 -0.05 0.00 1.55 0.00 0.00 36.73 39.27 1bwy h TYR 19 CO 0.12 -0.22 0.47 0.00 -1.32 0.00 0.00 178.16 177.21 1bwy h MET 20 N -0.12 0.86 -2.97 1.82 -0.00 -0.82 0.00 114.93 113.70 1bwy h MET 20 Ca 0.14 -0.05 -0.45 0.00 -0.00 0.00 0.00 59.70 59.35 1bwy h MET 20 Cb 0.34 -0.19 0.01 0.00 -0.00 0.00 0.00 31.60 31.75 1bwy h MET 20 CO -0.34 0.57 2.49 1.17 -0.00 0.00 0.00 176.91 180.79 1bwy n LYS 21 N -4.66 2.64 0.00 -0.10 4.81 -0.52 -0.73 118.16 119.60 1bwy n LYS 21 Ca 0.10 -1.61 0.00 0.00 -0.87 0.00 0.00 58.31 55.93 1bwy n LYS 21 Cb 0.14 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.72 1bwy n LYS 21 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1bwy n SER 22 N 3.58 0.00 0.27 3.14 2.88 -1.04 -4.92 113.62 117.53 1bwy n SER 22 Ca 0.56 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.21 1bwy n SER 22 Cb 0.31 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.50 1bwy n SER 22 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bwy h LEU 23 N 0.00 0.00 0.00 2.46 -0.00 -0.77 -3.46 115.31 113.54 1bwy h LEU 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1bwy h LEU 23 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1bwy h LEU 23 CO 0.00 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 1bwy n GLY 24 N -1.26 1.87 0.00 0.83 0.00 0.09 -4.86 105.19 101.86 1bwy n GLY 24 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1bwy n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bwy n VAL 25 N 0.00 0.00 -2.80 1.61 3.14 -1.26 -0.45 118.33 118.57 1bwy n VAL 25 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1bwy n VAL 25 Cb 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.85 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 26 N 0.00 1.22 0.21 7.55 0.00 -1.26 -4.81 105.19 108.10 1bwy n GLY 26 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 0.20 -0.22 -2.91 1.61 -0.00 0.40 -0.56 117.46 115.99 1bwy n PHE 27 Ca 0.08 0.62 -0.24 0.00 -0.00 0.00 0.00 57.45 57.91 1bwy n PHE 27 Cb 0.72 -0.51 -0.03 0.00 -0.00 0.00 0.00 39.48 39.66 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 -3.43 4.12 0.05 3.13 0.00 -1.26 -4.37 120.51 118.75 1bwy n ALA 28 Ca 0.01 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.15 1bwy n ALA 28 Cb 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.17 0.00 0.30 0.00 -1.04 0.28 -4.86 114.28 108.80 1bwy n THR 29 Ca 0.30 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.49 1bwy n THR 29 Cb 0.51 -0.26 1.02 0.00 -1.82 0.00 0.00 70.33 69.78 1bwy n THR 29 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1bwy h ARG 30 N 0.00 0.00 -1.38 -2.82 3.08 -1.14 -0.88 114.38 111.24 1bwy h ARG 30 Ca 0.00 0.00 0.45 0.00 0.07 0.00 0.00 59.98 60.50 1bwy h ARG 30 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 1bwy h ARG 30 CO 0.00 0.00 0.90 -0.56 -1.07 0.00 0.00 179.97 179.24 1bwy h GLN 31 N 0.00 0.06 0.03 0.04 3.07 -1.86 0.14 115.11 116.59 1bwy h GLN 31 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.75 1bwy h GLN 31 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.65 1bwy h GLN 31 CO -0.00 0.04 -0.01 0.28 0.09 0.00 0.00 178.83 179.22 1bwy h VAL 32 N 0.06 0.00 0.00 1.86 2.07 -1.54 -3.31 116.25 115.40 1bwy h VAL 32 Ca 0.84 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 68.03 1bwy h VAL 32 Cb 2.71 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1bwy h VAL 32 CO -0.40 0.00 -0.13 0.61 0.02 0.00 0.00 177.57 177.67 1bwy n GLY 33 N 1.60 2.47 0.00 2.17 0.00 -0.27 -2.23 105.19 108.92 1bwy n GLY 33 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 2.10 0.00 0.07 1.61 6.94 -0.12 -4.89 115.26 120.96 1bwy n ASN 34 Ca 0.19 0.00 0.09 0.00 -0.02 0.00 0.00 54.58 54.84 1bwy n ASN 34 Cb 0.61 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.98 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 -0.96 0.62 0.00 -3.83 1.56 -1.07 -4.80 117.12 108.64 1bwy n MET 35 Ca 0.00 0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1bwy n MET 35 Cb 0.00 -1.76 0.00 0.00 2.15 0.00 0.00 33.22 33.61 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 -2.63 0.00 -3.51 1.12 5.66 -0.95 -5.00 114.28 108.98 1bwy n THR 36 Ca -0.03 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.58 1bwy n THR 36 Cb 0.61 -0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 68.78 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bwy n LYS 37 N -0.92 3.01 -2.20 1.09 4.01 -1.26 -5.04 118.16 116.85 1bwy n LYS 37 Ca 0.00 -4.49 -0.38 0.00 -0.51 0.00 0.00 58.31 52.93 1bwy n LYS 37 Cb 0.00 -2.45 -0.01 0.00 -0.51 0.00 0.00 35.03 32.06 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1bwy s PRO 38 N -1.51 3.83 -0.21 1.97 0.04 -1.26 -4.89 135.00 132.98 1bwy s PRO 38 Ca 0.29 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 1bwy s PRO 38 Cb -0.06 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1bwy s PRO 38 CO -0.09 -0.52 0.07 0.99 0.04 0.00 0.00 177.00 177.49 1bwy s THR 39 N -1.44 4.67 -0.46 1.26 2.01 0.06 -3.02 115.64 118.71 1bwy s THR 39 Ca 0.61 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 1bwy s THR 39 Cb -0.32 -3.13 0.12 0.00 0.01 0.00 0.00 72.50 69.18 1bwy s THR 39 CO 0.39 0.41 0.31 -0.89 -0.69 0.00 0.00 174.62 174.14 1bwy s THR 40 N 0.85 3.88 -0.23 -0.82 2.01 0.53 -0.48 115.64 121.38 1bwy s THR 40 Ca 0.04 -1.95 -0.21 0.00 0.31 0.00 0.00 61.69 59.89 1bwy s THR 40 Cb -0.14 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1bwy s THR 40 CO 0.02 -0.76 0.64 -0.63 -0.69 0.00 0.00 174.62 173.20 1bwy s ILE 41 N 1.20 4.99 -0.21 1.82 1.01 -0.16 -0.64 121.20 129.21 1bwy s ILE 41 Ca 0.07 1.16 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 1bwy s ILE 41 Cb -0.25 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1bwy s ILE 41 CO -0.02 0.05 0.14 -0.63 0.00 0.00 0.00 174.94 174.48 1bwy s ILE 42 N 2.30 5.37 -0.06 2.92 1.01 0.13 -0.07 121.20 132.81 1bwy s ILE 42 Ca 0.27 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 1bwy s ILE 42 Cb -0.16 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1bwy s ILE 42 CO 0.09 0.41 0.00 -0.70 0.00 0.00 0.00 174.94 174.75 1bwy s GLU 43 N 0.55 2.93 -1.31 2.79 2.12 -0.30 -0.43 118.70 125.06 1bwy s GLU 43 Ca 0.08 -0.47 -0.16 0.00 0.36 0.00 0.00 54.97 54.78 1bwy s GLU 43 Cb -0.12 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.52 1bwy s GLU 43 CO -0.00 0.68 2.11 1.55 -0.54 0.00 0.00 175.26 179.06 1bwy n VAL 44 N 1.89 3.18 -1.69 3.70 3.14 -1.26 -1.31 118.33 125.98 1bwy n VAL 44 Ca -0.17 -2.85 -0.43 0.00 -2.96 0.00 0.00 64.34 57.93 1bwy n VAL 44 Cb 0.53 -2.52 -0.01 0.00 -1.06 0.00 0.00 33.84 30.79 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 6.82 2.61 0.00 6.55 5.15 -1.24 -4.83 115.26 130.33 1bwy n ASN 45 Ca 0.51 1.20 0.00 0.00 -0.60 0.00 0.00 54.58 55.69 1bwy n ASN 45 Cb 0.40 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 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 0.90 0.00 0.84 8.20 0.00 -1.26 -0.36 105.19 113.50 1bwy n GLY 46 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.91 3.71 -0.27 1.61 5.75 -1.26 -5.02 116.55 120.15 1bwy n ASP 47 Ca 0.00 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 51.91 1bwy n ASP 47 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 -0.37 0.00 -3.78 2.12 -2.24 0.51 -4.90 114.28 105.61 1bwy n THR 48 Ca 0.20 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1bwy n THR 48 Cb 0.82 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.16 0.02 -0.17 2.28 0.11 0.35 -3.66 120.40 117.17 1bwy s VAL 49 Ca 0.00 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1bwy s VAL 49 Cb 0.00 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1bwy s VAL 49 CO 0.00 -0.08 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.06 1bwy s ILE 50 N -0.26 1.54 0.11 7.04 2.07 -0.43 -0.89 121.20 130.38 1bwy s ILE 50 Ca -0.04 -0.75 -0.28 0.00 -1.41 0.00 0.00 60.65 58.17 1bwy s ILE 50 Cb -0.03 -1.53 -0.06 0.00 0.13 0.00 0.00 42.46 40.96 1bwy s ILE 50 CO 0.01 0.32 0.89 -0.63 -1.91 0.00 0.00 174.94 173.63 1bwy s ILE 51 N 1.47 4.50 -0.32 2.00 1.01 -0.05 -1.15 121.20 128.66 1bwy s ILE 51 Ca 0.02 1.92 -0.01 0.00 0.00 0.00 0.00 60.65 62.58 1bwy s ILE 51 Cb -0.14 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.14 1bwy s ILE 51 CO -0.09 0.37 0.03 -0.54 0.00 0.00 0.00 174.94 174.71 1bwy s LYS 52 N -0.27 2.27 -0.60 2.79 -0.14 0.90 -0.56 119.74 124.12 1bwy s LYS 52 Ca 0.43 -1.41 -0.23 0.00 -1.36 0.00 0.00 55.97 53.40 1bwy s LYS 52 Cb -0.23 -3.22 0.06 0.00 -1.68 0.00 0.00 37.83 32.76 1bwy s LYS 52 CO 0.28 -0.72 0.91 0.95 -0.76 0.00 0.00 175.35 176.02 1bwy s THR 53 N 1.19 4.41 -0.09 2.17 -4.23 0.26 -0.99 115.64 118.37 1bwy s THR 53 Ca -0.02 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.31 1bwy s THR 53 Cb -0.20 -4.59 -0.03 0.00 1.34 0.00 0.00 72.50 69.02 1bwy s THR 53 CO -0.02 -1.26 -0.01 -1.10 -0.54 0.00 0.00 174.62 171.68 1bwy s GLN 54 N 3.84 3.06 -0.37 3.99 -0.21 0.36 -2.12 119.66 128.22 1bwy s GLN 54 Ca 0.24 -0.44 0.05 0.00 0.02 0.00 0.00 55.36 55.23 1bwy s GLN 54 Cb -0.16 -2.79 0.26 0.00 1.00 0.00 0.00 33.01 31.32 1bwy s GLN 54 CO 0.13 0.63 1.23 0.45 -2.12 0.00 0.00 175.29 175.62 1bwy n SER 55 N 2.36 -1.57 0.00 5.90 2.88 -1.12 -0.76 113.62 121.31 1bwy n SER 55 Ca -0.18 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 1bwy n SER 55 Cb 0.53 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.23 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 -0.07 0.00 -0.11 2.46 -1.04 -1.26 -2.68 114.28 111.58 1bwy n THR 56 Ca -0.09 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 1bwy n THR 56 Cb 0.73 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.15 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 0.00 0.76 -2.16 -1.42 3.72 -1.26 -4.62 117.46 112.48 1bwy n PHE 57 Ca 0.00 0.33 -0.40 0.00 -0.05 0.00 0.00 57.45 57.33 1bwy n PHE 57 Cb 0.00 -1.01 -0.02 0.00 -0.94 0.00 0.00 39.48 37.51 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1bwy n LYS 58 N -4.42 2.65 -2.79 -1.08 4.81 -1.09 -4.77 118.16 111.47 1bwy n LYS 58 Ca -0.33 -2.84 -0.34 0.00 -0.87 0.00 0.00 58.31 53.94 1bwy n LYS 58 Cb 0.66 -3.45 -0.01 0.00 0.02 0.00 0.00 35.03 32.25 1bwy n LYS 58 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bwy n ASN 59 N 9.00 5.86 -4.91 3.14 4.13 -1.25 -2.80 115.26 128.43 1bwy n ASN 59 Ca 0.49 -3.69 -0.28 0.00 1.68 0.00 0.00 54.58 52.78 1bwy n ASN 59 Cb 0.44 -0.85 0.03 0.00 -1.54 0.00 0.00 39.78 37.86 1bwy n ASN 59 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1bwy s THR 60 N -4.43 3.91 0.20 3.41 -4.23 -0.90 -4.90 115.64 108.70 1bwy s THR 60 Ca 0.44 0.16 0.09 0.00 -1.18 0.00 0.00 61.69 61.21 1bwy s THR 60 Cb 0.24 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1bwy s THR 60 CO -0.14 -0.60 -0.19 -1.83 -0.54 0.00 0.00 174.62 171.32 1bwy s GLU 61 N -5.01 1.39 -0.29 3.99 -1.05 -1.26 -0.57 118.70 115.89 1bwy s GLU 61 Ca 0.53 -1.52 -0.02 0.00 -0.15 0.00 0.00 54.97 53.82 1bwy s GLU 61 Cb -0.11 -1.46 0.10 0.00 -0.44 0.00 0.00 34.13 32.22 1bwy s GLU 61 CO 0.47 0.29 0.10 0.42 0.95 0.00 0.00 175.26 177.48 1bwy s ILE 62 N -2.21 0.68 -0.23 1.83 1.09 0.27 -4.86 121.20 117.78 1bwy s ILE 62 Ca 0.20 -1.20 -0.17 0.00 -1.10 0.00 0.00 60.65 58.38 1bwy s ILE 62 Cb -0.05 -1.49 -0.03 0.00 -1.06 0.00 0.00 42.46 39.83 1bwy s ILE 62 CO 0.09 -0.63 0.45 -0.94 -0.10 0.00 0.00 174.94 173.80 1bwy s SER 63 N 1.72 6.42 0.22 3.58 1.04 -1.26 -0.87 113.70 124.55 1bwy s SER 63 Ca 0.08 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 1bwy s SER 63 Cb -0.17 -2.25 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 1bwy s SER 63 CO -0.25 -0.17 0.40 0.72 0.98 0.00 0.00 173.24 174.91 1bwy s PHE 64 N 1.79 0.45 -0.26 5.02 -0.71 -0.07 -5.01 117.98 119.20 1bwy s PHE 64 Ca 0.20 -0.80 0.02 0.00 -1.04 0.00 0.00 56.93 55.31 1bwy s PHE 64 Cb -0.15 0.05 0.06 0.00 -1.21 0.00 0.00 43.02 41.77 1bwy s PHE 64 CO 0.09 -0.89 -0.07 0.21 -1.34 0.00 0.00 175.22 173.22 1bwy s LYS 65 N -4.02 1.88 -0.60 1.99 2.36 -1.26 -0.50 119.74 119.59 1bwy s LYS 65 Ca 0.23 -1.25 -0.26 0.00 -2.55 0.00 0.00 55.97 52.14 1bwy s LYS 65 Cb 0.01 -2.78 -0.09 0.00 -1.05 0.00 0.00 37.83 33.93 1bwy s LYS 65 CO 0.07 -0.63 2.38 -0.48 1.55 0.00 0.00 175.35 178.24 1bwy s LEU 66 N 1.21 3.23 0.00 5.43 0.05 -1.26 -3.14 118.68 124.20 1bwy s LEU 66 Ca -0.05 0.70 0.00 0.00 0.05 0.00 0.00 54.13 54.82 1bwy s LEU 66 Cb -0.19 -2.52 0.00 0.00 -2.05 0.00 0.00 46.19 41.43 1bwy s LEU 66 CO -0.06 -3.17 0.00 0.61 -0.55 0.00 0.00 176.35 173.18 1bwy n GLY 67 N 6.25 0.16 3.27 -3.48 0.00 0.17 -4.70 105.19 106.85 1bwy n GLY 67 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.19 0.05 -0.24 1.61 1.01 -0.36 -4.98 120.40 117.30 1bwy s VAL 68 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1bwy s VAL 68 Cb 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1bwy s VAL 68 CO 0.00 -0.22 0.08 -0.70 0.00 0.00 0.00 175.10 174.27 1bwy s GLU 69 N -1.22 3.76 0.05 2.72 2.12 -1.26 -1.29 118.70 123.58 1bwy s GLU 69 Ca -0.13 -0.43 -0.27 0.00 0.36 0.00 0.00 54.97 54.50 1bwy s GLU 69 Cb -0.05 -3.35 0.07 0.00 0.26 0.00 0.00 34.13 31.07 1bwy s GLU 69 CO 0.05 -0.10 0.65 -0.59 -0.54 0.00 0.00 175.26 174.73 1bwy s PHE 70 N 1.39 -0.59 -0.05 5.30 -0.71 0.14 -4.98 117.98 118.48 1bwy s PHE 70 Ca 0.06 0.71 -0.30 0.00 -1.04 0.00 0.00 56.93 56.36 1bwy s PHE 70 Cb -0.15 0.49 -0.06 0.00 -1.21 0.00 0.00 43.02 42.09 1bwy s PHE 70 CO 0.04 -0.72 1.65 0.34 -1.34 0.00 0.00 175.22 175.20 1bwy s ASP 71 N -1.96 6.67 -0.50 1.98 -1.08 -1.26 -0.24 116.67 120.28 1bwy s ASP 71 Ca -0.05 2.24 -0.02 0.00 -0.52 0.00 0.00 52.55 54.21 1bwy s ASP 71 Cb -0.01 -2.53 0.13 0.00 -1.46 0.00 0.00 42.92 39.05 1bwy s ASP 71 CO -0.02 -0.92 0.29 -0.70 0.52 0.00 0.00 175.17 174.35 1bwy s GLU 72 N 4.01 2.20 -0.47 4.34 2.12 0.61 -4.85 118.70 126.64 1bwy s GLU 72 Ca 0.73 -2.17 -0.12 0.00 0.36 0.00 0.00 54.97 53.77 1bwy s GLU 72 Cb -0.33 -3.60 0.10 0.00 0.26 0.00 0.00 34.13 30.55 1bwy s GLU 72 CO 0.30 -1.11 0.37 0.99 -0.54 0.00 0.00 175.26 175.26 1bwy s THR 73 N 0.53 4.66 0.04 -1.70 2.01 -1.26 -1.08 115.64 118.85 1bwy s THR 73 Ca 0.13 -1.45 0.04 0.00 0.31 0.00 0.00 61.69 60.72 1bwy s THR 73 Cb -0.22 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1bwy s THR 73 CO -0.04 -0.67 -0.13 0.28 -0.69 0.00 0.00 174.62 173.37 1bwy s THR 74 N 1.49 1.00 0.00 -0.82 -1.32 -0.33 -4.94 115.64 110.72 1bwy s THR 74 Ca 0.04 -1.03 -0.02 0.00 -1.21 0.00 0.00 61.69 59.47 1bwy s THR 74 Cb -0.26 -0.93 -0.09 0.00 -1.51 0.00 0.00 72.50 69.71 1bwy s THR 74 CO 0.03 -0.08 2.30 0.00 -2.21 0.00 0.00 174.62 174.65 1bwy n ALA 75 N 1.78 4.42 0.03 11.08 0.00 -1.26 -0.71 120.51 135.86 1bwy n ALA 75 Ca -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1bwy n ALA 75 Cb 0.55 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.96 -0.38 0.08 0.00 5.75 -1.26 -4.89 116.55 117.81 1bwy n ASP 76 Ca 0.14 0.12 0.09 0.00 -0.01 0.00 0.00 54.79 55.14 1bwy n ASP 76 Cb 0.57 0.58 0.40 0.00 -1.03 0.00 0.00 41.12 41.64 1bwy n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bwy n ASP 77 N -2.66 0.39 0.00 -1.12 8.00 -1.23 -4.19 116.55 115.74 1bwy n ASP 77 Ca 0.00 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1bwy n ASP 77 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bwy n ARG 78 N -1.94 0.00 -2.65 -1.24 3.00 0.11 -4.54 116.66 109.40 1bwy n ARG 78 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.43 1bwy n ARG 78 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.60 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 3.82 -0.02 5.56 2.20 -1.26 -1.19 119.74 128.85 1bwy s LYS 79 Ca 0.00 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.31 1bwy s LYS 79 Cb 0.00 -3.85 -0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1bwy s LYS 79 CO 0.00 -1.18 -0.09 0.14 -0.36 0.00 0.00 175.35 173.85 1bwy s VAL 80 N 4.06 0.76 -0.49 4.02 -7.23 -0.24 -4.80 120.40 116.48 1bwy s VAL 80 Ca 0.45 -0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 1bwy s VAL 80 Cb -0.09 -0.66 0.03 0.00 0.56 0.00 0.00 36.38 36.22 1bwy s VAL 80 CO 0.25 0.23 1.13 -0.75 -0.31 0.00 0.00 175.10 175.65 1bwy s LYS 81 N -0.04 3.68 0.48 4.82 2.20 0.50 -0.29 119.74 131.09 1bwy s LYS 81 Ca 0.01 0.49 -0.21 0.00 -0.36 0.00 0.00 55.97 55.90 1bwy s LYS 81 Cb -0.06 -3.92 -0.08 0.00 -1.51 0.00 0.00 37.83 32.26 1bwy s LYS 81 CO -0.00 -1.41 1.05 -1.54 -0.36 0.00 0.00 175.35 173.08 1bwy s SER 82 N 2.51 6.33 -0.21 1.43 1.04 0.67 -0.41 113.70 125.07 1bwy s SER 82 Ca 0.47 1.96 -0.04 0.00 0.48 0.00 0.00 55.95 58.82 1bwy s SER 82 Cb -0.07 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.55 1bwy s SER 82 CO 0.31 -0.79 0.08 -0.51 0.98 0.00 0.00 173.24 173.31 1bwy s ILE 83 N -1.93 0.22 -0.01 -1.02 2.07 0.28 -0.69 121.20 120.12 1bwy s ILE 83 Ca 0.67 -0.49 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1bwy s ILE 83 Cb -0.17 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.52 1bwy s ILE 83 CO 0.21 -0.35 -0.09 0.54 -1.91 0.00 0.00 174.94 173.34 1bwy s VAL 84 N 1.99 0.70 0.35 4.00 0.11 -0.41 -0.95 120.40 126.19 1bwy s VAL 84 Ca 0.03 -0.38 -0.14 0.00 -2.93 0.00 0.00 61.98 58.56 1bwy s VAL 84 Cb -0.16 -0.59 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1bwy s VAL 84 CO -0.14 0.20 0.70 0.28 -3.33 0.00 0.00 175.10 172.80 1bwy s THR 85 N -0.20 0.00 -0.09 5.04 -1.32 -1.22 0.42 115.64 118.28 1bwy s THR 85 Ca 0.03 -1.15 -0.00 0.00 -1.21 0.00 0.00 61.69 59.36 1bwy s THR 85 Cb -0.04 -2.67 0.02 0.00 -1.51 0.00 0.00 72.50 68.31 1bwy s THR 85 CO -0.00 0.00 -0.05 -1.48 -2.21 0.00 0.00 174.62 170.88 1bwy s LEU 86 N -3.08 1.03 0.00 9.08 0.05 -1.26 -0.43 118.68 124.07 1bwy s LEU 86 Ca 0.18 -0.20 0.00 0.00 0.05 0.00 0.00 54.13 54.16 1bwy s LEU 86 Cb -0.04 -0.65 0.00 0.00 -2.05 0.00 0.00 46.19 43.45 1bwy s LEU 86 CO 0.12 -0.12 0.00 -0.90 -0.55 0.00 0.00 176.35 174.90 1bwy n ASP 87 N 4.80 0.00 0.00 1.48 5.68 -1.24 -4.98 116.55 122.29 1bwy n ASP 87 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1bwy n ASP 87 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1bwy n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bwy n GLY 88 N -0.19 0.96 0.00 6.12 0.00 -1.26 -4.27 105.19 106.55 1bwy n GLY 88 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.28 0.00 -0.02 0.00 -1.26 -5.18 105.19 98.46 1bwy n GLY 89 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1bwy n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwy n LYS 90 N 0.00 0.00 -2.78 1.61 5.02 -1.26 -4.90 118.16 115.85 1bwy n LYS 90 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1bwy n LYS 90 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1bwy n LYS 90 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1bwy s LEU 91 N -1.73 4.12 -0.87 -0.35 0.05 -0.39 -3.69 118.68 115.82 1bwy s LEU 91 Ca 0.00 1.24 -0.10 0.00 0.05 0.00 0.00 54.13 55.32 1bwy s LEU 91 Cb 0.00 -3.37 0.22 0.00 -2.05 0.00 0.00 46.19 40.99 1bwy s LEU 91 CO 0.00 -0.55 0.79 0.68 -0.55 0.00 0.00 176.35 176.72 1bwy s VAL 92 N 2.80 5.25 -1.25 1.48 -7.23 0.43 -1.24 120.40 120.63 1bwy s VAL 92 Ca 0.40 -2.93 -0.18 0.00 -1.81 0.00 0.00 61.98 57.47 1bwy s VAL 92 Cb -0.16 -4.24 0.08 0.00 0.56 0.00 0.00 36.38 32.63 1bwy s VAL 92 CO 0.09 -1.05 1.66 -2.28 -0.31 0.00 0.00 175.10 173.21 1bwy s HIS 93 N -0.37 2.87 0.47 2.82 5.04 0.16 -3.42 115.29 122.86 1bwy s HIS 93 Ca 0.22 -1.63 -0.21 0.00 -1.54 0.00 0.00 55.06 51.90 1bwy s HIS 93 Cb -0.11 -4.68 -0.09 0.00 0.04 0.00 0.00 32.58 27.74 1bwy s HIS 93 CO -0.08 -1.76 1.03 0.08 -2.34 0.00 0.00 174.74 171.67 1bwy s VAL 94 N 3.89 3.84 -0.27 0.89 1.01 -0.12 -1.09 120.40 128.54 1bwy s VAL 94 Ca 0.51 1.18 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1bwy s VAL 94 Cb 0.02 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 33.07 1bwy s VAL 94 CO 0.05 -0.22 0.43 -1.58 0.00 0.00 0.00 175.10 173.79 1bwy s GLN 95 N -3.13 0.41 -0.37 2.72 0.74 0.41 -0.56 119.66 119.89 1bwy s GLN 95 Ca 0.66 0.47 0.00 0.00 0.05 0.00 0.00 55.36 56.54 1bwy s GLN 95 Cb -0.16 -0.23 0.10 0.00 1.10 0.00 0.00 33.01 33.82 1bwy s GLN 95 CO 0.20 -0.79 0.12 0.21 -0.55 0.00 0.00 175.29 174.48 1bwy s LYS 96 N 2.61 1.83 -0.11 1.67 2.20 0.45 -0.25 119.74 128.14 1bwy s LYS 96 Ca 0.13 -1.79 -0.07 0.00 -0.36 0.00 0.00 55.97 53.87 1bwy s LYS 96 Cb -0.14 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1bwy s LYS 96 CO -0.22 -0.98 -0.14 -2.67 -0.36 0.00 0.00 175.35 170.98 1bwy n TRP 97 N 4.46 0.69 0.00 4.03 2.14 -1.18 -0.37 117.44 127.20 1bwy n TRP 97 Ca -0.01 0.30 0.00 0.00 2.07 0.00 0.00 57.50 59.86 1bwy n TRP 97 Cb 0.42 -0.64 0.00 0.00 -0.81 0.00 0.00 31.31 30.28 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 -4.06 0.00 0.25 -0.67 6.94 -1.26 -4.73 115.26 111.72 1bwy n ASN 98 Ca -0.06 0.00 0.14 0.00 -0.02 0.00 0.00 54.58 54.64 1bwy n ASN 98 Cb 0.21 0.00 0.47 0.00 -2.36 0.00 0.00 39.78 38.10 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 -2.52 4.83 0.00 -2.03 -3.44 103.07 99.92 1bwy h GLY 99 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1bwy h GLY 99 CO 0.00 0.00 -0.62 1.20 0.00 0.00 0.00 176.54 177.12 1bwy s GLN 100 N -3.50 1.26 0.34 4.80 1.11 -1.26 -5.14 119.66 117.28 1bwy s GLN 100 Ca 0.03 -1.67 0.04 0.00 0.01 0.00 0.00 55.36 53.77 1bwy s GLN 100 Cb 0.08 0.12 -0.04 0.00 -1.01 0.00 0.00 33.01 32.16 1bwy s GLN 100 CO 0.60 -0.36 0.15 -1.21 0.01 0.00 0.00 175.29 174.48 1bwy s GLU 101 N -4.12 1.73 0.08 2.91 2.02 -1.26 -3.11 118.70 116.94 1bwy s GLU 101 Ca 0.39 -2.01 -0.04 0.00 0.02 0.00 0.00 54.97 53.32 1bwy s GLU 101 Cb 0.07 -0.33 -0.02 0.00 0.10 0.00 0.00 34.13 33.95 1bwy s GLU 101 CO 0.12 -0.44 0.08 -0.08 0.02 0.00 0.00 175.26 174.96 1bwy s THR 102 N -3.43 0.17 -0.16 3.63 -1.32 0.65 -3.89 115.64 111.30 1bwy s THR 102 Ca 0.32 -1.56 -0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1bwy s THR 102 Cb 0.04 -1.53 0.04 0.00 -1.51 0.00 0.00 72.50 69.54 1bwy s THR 102 CO 0.17 -0.77 -0.08 -0.44 -2.21 0.00 0.00 174.62 171.28 1bwy s SER 103 N -2.91 2.79 -0.39 8.08 0.01 0.19 -0.44 113.70 121.02 1bwy s SER 103 Ca 0.09 -0.61 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 1bwy s SER 103 Cb 0.06 -1.00 0.07 0.00 0.21 0.00 0.00 66.02 65.37 1bwy s SER 103 CO -0.09 -0.14 0.19 -0.76 0.41 0.00 0.00 173.24 172.85 1bwy s LEU 104 N 1.58 4.85 -0.35 2.44 1.02 -0.25 -1.00 118.68 126.97 1bwy s LEU 104 Ca 0.02 -1.49 -0.14 0.00 0.02 0.00 0.00 54.13 52.54 1bwy s LEU 104 Cb -0.15 -1.90 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 1bwy s LEU 104 CO -0.08 -0.46 0.31 0.68 0.02 0.00 0.00 176.35 176.82 1bwy s VAL 105 N 1.35 5.22 -0.07 -1.59 -7.23 -0.52 -0.66 120.40 116.89 1bwy s VAL 105 Ca 0.02 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1bwy s VAL 105 Cb -0.22 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 32.90 1bwy s VAL 105 CO 0.01 -0.08 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.53 1bwy s ARG 106 N 1.88 2.82 -0.04 4.82 0.52 -0.38 -2.03 118.95 126.55 1bwy s ARG 106 Ca 0.09 -0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1bwy s ARG 106 Cb -0.17 -2.64 0.08 0.00 0.52 0.00 0.00 34.95 32.74 1bwy s ARG 106 CO 0.11 0.66 0.72 -2.00 0.02 0.00 0.00 175.30 174.81 1bwy s GLU 107 N -0.78 1.01 -0.33 3.54 2.56 -0.19 -1.26 118.70 123.25 1bwy s GLU 107 Ca 0.12 0.17 -0.03 0.00 0.00 0.00 0.00 54.97 55.23 1bwy s GLU 107 Cb -0.11 0.48 0.06 0.00 2.00 0.00 0.00 34.13 36.56 1bwy s GLU 107 CO 0.02 -0.33 0.06 1.41 -0.56 0.00 0.00 175.26 175.86 1bwy s MET 108 N -1.45 2.35 0.38 4.30 -2.45 -1.26 0.03 119.30 121.20 1bwy s MET 108 Ca -0.08 -1.38 0.01 0.00 -1.25 0.00 0.00 55.69 52.98 1bwy s MET 108 Cb -0.00 -3.32 0.01 0.00 1.25 0.00 0.00 34.83 32.77 1bwy s MET 108 CO 0.06 -0.73 0.08 1.33 1.05 0.00 0.00 175.02 176.81 1bwy n VAL 109 N 4.64 0.00 0.00 10.11 0.24 -1.23 -4.90 118.33 127.18 1bwy n VAL 109 Ca -0.10 -1.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.50 1bwy n VAL 109 Cb 0.43 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1bwy n VAL 109 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bwy n ASP 110 N -1.40 0.00 -1.94 -1.34 2.03 -1.26 -2.80 116.55 109.84 1bwy n ASP 110 Ca -0.12 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.19 1bwy n ASP 110 Cb 0.46 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1bwy n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwy n GLY 111 N 0.00 1.28 3.09 0.27 0.00 -1.26 -5.09 105.19 103.48 1bwy n GLY 111 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.96 0.43 -0.66 1.61 1.02 -1.12 -4.65 119.74 115.41 1bwy s LYS 112 Ca 0.20 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.68 1bwy s LYS 112 Cb 0.29 0.18 0.11 0.00 -0.52 0.00 0.00 37.83 37.89 1bwy s LYS 112 CO -0.09 -0.10 0.80 -1.17 -0.92 0.00 0.00 175.35 173.88 1bwy s LEU 113 N -1.17 5.29 0.02 3.17 0.20 0.62 -3.56 118.68 123.24 1bwy s LEU 113 Ca -0.13 -1.53 -0.30 0.00 0.69 0.00 0.00 54.13 52.86 1bwy s LEU 113 Cb -0.07 -2.33 -0.05 0.00 -0.43 0.00 0.00 46.19 43.32 1bwy s LEU 113 CO 0.01 -1.12 1.21 -0.63 -0.29 0.00 0.00 176.35 175.52 1bwy s ILE 114 N 2.73 4.11 -0.09 6.68 1.09 0.10 -0.54 121.20 135.28 1bwy s ILE 114 Ca 0.16 1.49 -0.00 0.00 -1.10 0.00 0.00 60.65 61.20 1bwy s ILE 114 Cb -0.20 -3.96 0.02 0.00 -1.06 0.00 0.00 42.46 37.27 1bwy s ILE 114 CO 0.04 0.07 -0.06 -0.22 -0.10 0.00 0.00 174.94 174.67 1bwy s LEU 115 N 1.50 1.13 -0.08 2.97 1.98 -1.18 -1.02 118.68 123.98 1bwy s LEU 115 Ca 0.58 -0.23 0.05 0.00 -2.89 0.00 0.00 54.13 51.64 1bwy s LEU 115 Cb -0.28 -0.69 -0.01 0.00 0.66 0.00 0.00 46.19 45.88 1bwy s LEU 115 CO 0.27 -0.10 -0.23 0.42 -1.89 0.00 0.00 176.35 174.81 1bwy s THR 116 N 1.50 2.15 -0.16 3.68 -4.23 -0.86 -0.93 115.64 116.79 1bwy s THR 116 Ca -0.00 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1bwy s THR 116 Cb -0.13 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 71.91 1bwy s THR 116 CO -0.05 0.56 -0.18 -1.48 -0.54 0.00 0.00 174.62 172.94 1bwy s LEU 117 N 0.12 2.28 -0.06 4.79 2.34 -0.15 -1.44 118.68 126.56 1bwy s LEU 117 Ca -0.12 -0.56 0.04 0.00 0.06 0.00 0.00 54.13 53.55 1bwy s LEU 117 Cb -0.16 -1.51 0.00 0.00 -0.56 0.00 0.00 46.19 43.96 1bwy s LEU 117 CO 0.07 0.05 -0.18 -0.89 -1.06 0.00 0.00 176.35 174.33 1bwy s THR 118 N 1.00 1.56 0.22 5.48 2.01 -0.17 -0.42 115.64 125.32 1bwy s THR 118 Ca -0.02 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 1bwy s THR 118 Cb -0.15 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1bwy s THR 118 CO -0.05 0.45 0.26 -1.38 -0.69 0.00 0.00 174.62 173.21 1bwy s HIS 119 N 0.22 0.87 -0.57 4.92 -3.43 -0.08 -0.64 115.29 116.59 1bwy s HIS 119 Ca -0.09 -1.14 -0.37 0.00 -0.80 0.00 0.00 55.06 52.66 1bwy s HIS 119 Cb -0.14 -0.29 -0.16 0.00 -1.43 0.00 0.00 32.58 30.56 1bwy s HIS 119 CO 0.04 -0.77 2.31 0.41 -2.00 0.00 0.00 174.74 174.73 1bwy n GLY 120 N -0.31 0.01 3.50 -1.38 0.00 -1.25 -1.27 105.19 104.48 1bwy n GLY 120 Ca 0.01 1.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.85 1bwy n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwy n THR 121 N 7.09 -4.63 -3.64 2.61 -1.04 -1.26 -5.02 114.28 108.39 1bwy n THR 121 Ca 0.52 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.05 62.19 1bwy n THR 121 Cb 0.12 -4.54 -0.07 0.00 -1.82 0.00 0.00 70.33 64.01 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bwy s ALA 122 N -3.34 -2.09 0.04 2.41 0.00 -0.40 -4.98 121.76 113.41 1bwy s ALA 122 Ca 0.27 1.78 0.09 0.00 0.00 0.00 0.00 51.96 54.09 1bwy s ALA 122 Cb -0.12 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 1bwy s ALA 122 CO 0.73 -0.18 -0.26 0.08 0.00 0.00 0.00 175.76 176.13 1bwy s VAL 123 N 0.03 2.07 -0.16 0.00 1.01 -1.26 -0.90 120.40 121.19 1bwy s VAL 123 Ca 0.05 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.61 1bwy s VAL 123 Cb -0.05 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1bwy s VAL 123 CO -0.10 0.36 0.35 0.00 0.00 0.00 0.00 175.10 175.71 1bwy s THR 125 N 1.77 3.83 -0.29 0.00 -4.23 -1.25 -0.98 115.64 114.50 1bwy s THR 125 Ca -0.06 1.72 0.01 0.00 -1.18 0.00 0.00 61.69 62.18 1bwy s THR 125 Cb -0.10 -4.09 0.15 0.00 1.34 0.00 0.00 72.50 69.80 1bwy s THR 125 CO -0.11 0.36 0.38 -0.60 -0.54 0.00 0.00 174.62 174.10 1bwy s ARG 126 N -0.88 0.38 -0.08 3.99 3.52 -0.10 -1.81 118.95 123.97 1bwy s ARG 126 Ca 0.46 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 56.04 1bwy s ARG 126 Cb -0.29 -0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 32.64 1bwy s ARG 126 CO 0.36 -1.00 0.26 0.99 -0.81 0.00 0.00 175.30 175.10 1bwy s THR 127 N 2.50 5.30 0.43 4.11 2.01 0.47 -3.07 115.64 127.38 1bwy s THR 127 Ca 0.10 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.65 1bwy s THR 127 Cb -0.13 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1bwy s THR 127 CO -0.30 0.57 0.16 -0.31 -0.69 0.00 0.00 174.62 174.05 1bwy s TYR 128 N -0.82 2.47 0.01 4.92 1.51 0.30 -0.94 117.35 124.80 1bwy s TYR 128 Ca 0.18 -0.64 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1bwy s TYR 128 Cb -0.14 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1bwy s TYR 128 CO 0.07 0.18 -0.08 -2.00 -1.11 0.00 0.00 175.55 172.61 1bwy s GLU 129 N -3.90 0.63 -0.26 -0.62 2.12 0.55 -0.28 118.70 116.94 1bwy s GLU 129 Ca 0.37 -0.39 -0.10 0.00 0.36 0.00 0.00 54.97 55.21 1bwy s GLU 129 Cb 0.04 -0.59 -0.05 0.00 0.26 0.00 0.00 34.13 33.80 1bwy s GLU 129 CO 0.20 0.15 0.16 0.21 -0.54 0.00 0.00 175.26 175.45 1bwy s LYS 130 N -0.48 3.92 -0.52 4.30 2.36 -1.26 -0.40 119.74 127.66 1bwy s LYS 130 Ca 0.01 -0.34 0.07 0.00 -2.55 0.00 0.00 55.97 53.16 1bwy s LYS 130 Cb -0.04 -3.56 0.33 0.00 -1.05 0.00 0.00 37.83 33.50 1bwy s LYS 130 CO -0.00 -0.12 0.84 1.04 1.55 0.00 0.00 175.35 178.67 1bwy n GLN 131 N 4.82 2.42 0.00 4.03 3.00 0.44 -4.97 117.38 127.11 1bwy n GLN 131 Ca -0.15 -4.36 0.00 0.00 -0.01 0.00 0.00 57.00 52.48 1bwy n GLN 131 Cb 0.52 -2.04 0.00 0.00 0.00 0.00 0.00 30.24 28.72 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06