#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 3.32 0.18 6.55 9.92 -1.26 -1.21 116.55 134.05 1bwy n ASP 2 Ca 0.00 -2.07 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 1bwy n ASP 2 Cb 0.00 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 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 2.49 0.00 0.03 2.24 0.00 -1.26 -4.89 120.51 119.12 1bwy n ALA 3 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1bwy n ALA 3 Cb 0.53 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.38 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 0.46 -0.50 0.00 0.04 -1.78 -3.34 116.94 111.82 1bwy h PHE 4 Ca 0.00 -0.01 -0.50 0.00 2.80 0.00 0.00 57.97 60.26 1bwy h PHE 4 Cb 0.00 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 1bwy h PHE 4 CO 0.00 0.37 1.71 1.55 -0.60 0.00 0.00 178.31 181.34 1bwy n VAL 5 N -4.40 2.63 -0.59 -0.55 3.14 -0.35 -3.16 118.33 115.05 1bwy n VAL 5 Ca 0.02 -2.66 0.00 0.00 -2.96 0.00 0.00 64.34 58.74 1bwy n VAL 5 Cb 0.14 -2.27 0.00 0.00 -1.06 0.00 0.00 33.84 30.65 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 6 N 5.40 0.68 3.68 7.55 0.00 0.41 -4.98 105.19 117.93 1bwy n GLY 6 Ca 0.47 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.41 4.43 0.06 2.61 2.01 -1.26 -1.19 115.64 119.89 1bwy s THR 7 Ca 0.00 1.73 0.02 0.00 0.31 0.00 0.00 61.69 63.75 1bwy s THR 7 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1bwy s THR 7 CO 0.00 -0.04 0.11 0.26 -0.69 0.00 0.00 174.62 174.26 1bwy s TRP 8 N 2.44 3.27 -0.08 4.92 0.51 0.43 -0.93 118.94 129.50 1bwy s TRP 8 Ca 0.53 0.13 0.03 0.00 -2.12 0.00 0.00 56.10 54.66 1bwy s TRP 8 Cb -0.22 -1.67 -0.02 0.00 -0.81 0.00 0.00 33.47 30.76 1bwy s TRP 8 CO 0.18 0.54 -0.16 0.15 -0.51 0.00 0.00 176.95 177.16 1bwy s LYS 9 N -2.33 2.88 0.45 4.98 1.02 0.12 -0.78 119.74 126.08 1bwy s LYS 9 Ca 0.30 -0.73 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 1bwy s LYS 9 Cb -0.12 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 1bwy s LYS 9 CO 0.22 0.41 1.26 -1.17 -0.92 0.00 0.00 175.35 175.15 1bwy s LEU 10 N -0.18 4.07 0.00 3.17 0.20 0.49 -0.09 118.68 126.34 1bwy s LEU 10 Ca -0.01 2.54 0.00 0.00 0.69 0.00 0.00 54.13 57.35 1bwy s LEU 10 Cb -0.13 -4.10 0.00 0.00 -0.43 0.00 0.00 46.19 41.52 1bwy s LEU 10 CO 0.03 -1.01 0.00 0.55 -0.29 0.00 0.00 176.35 175.63 1bwy n VAL 11 N -0.32 0.00 -4.17 1.68 3.14 0.05 -4.84 118.33 113.86 1bwy n VAL 11 Ca 0.06 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.31 1bwy n VAL 11 Cb 0.46 -0.01 -0.10 0.00 -1.06 0.00 0.00 33.84 33.12 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 -0.63 1.33 0.00 6.55 -1.08 -0.19 -4.95 116.67 117.70 1bwy s ASP 12 Ca 0.00 -0.88 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 1bwy s ASP 12 Cb 0.00 0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 1bwy s ASP 12 CO 0.00 -0.34 0.00 -0.24 0.52 0.00 0.00 175.17 175.11 1bwy n SER 13 N 0.33 0.00 -4.58 -0.34 2.88 -1.26 -0.68 113.62 109.97 1bwy n SER 13 Ca -0.15 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.16 1bwy n SER 13 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.96 1bwy n SER 13 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1bwy s LYS 14 N 0.00 2.03 0.00 -1.46 -2.85 -1.08 -4.67 119.74 111.71 1bwy s LYS 14 Ca 0.00 -1.61 0.00 0.00 -1.00 0.00 0.00 55.97 53.36 1bwy s LYS 14 Cb 0.00 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.79 1bwy s LYS 14 CO 0.00 0.31 0.00 0.09 0.10 0.00 0.00 175.35 175.85 1bwy n ASN 15 N -0.81 -4.43 0.11 0.03 3.02 -1.26 -3.89 115.26 108.03 1bwy n ASN 15 Ca -0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.46 1bwy n ASN 15 Cb 0.60 -3.06 0.12 0.00 -0.61 0.00 0.00 39.78 36.83 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1bwy h PHE 16 N 0.00 0.13 0.31 3.10 3.04 -1.86 0.00 116.94 121.65 1bwy h PHE 16 Ca 0.00 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1bwy h PHE 16 Cb 0.74 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 1bwy h PHE 16 CO 0.46 0.72 -0.23 0.22 -2.02 0.00 0.00 178.31 177.46 1bwy h ASP 17 N 0.07 -0.61 -0.75 0.41 1.82 -1.86 -2.98 116.42 112.51 1bwy h ASP 17 Ca -0.01 0.04 0.14 0.00 -0.39 0.00 0.00 57.03 56.81 1bwy h ASP 17 Cb 1.17 0.19 -0.14 0.00 0.68 0.00 0.00 39.33 41.23 1bwy h ASP 17 CO 0.09 -0.33 -0.27 -0.78 -1.61 0.00 0.00 179.24 176.33 1bwy h ASP 18 N -0.52 -0.99 -0.67 2.28 3.58 -1.85 0.19 116.42 118.44 1bwy h ASP 18 Ca -0.04 0.24 0.13 0.00 0.42 0.00 0.00 57.03 57.79 1bwy h ASP 18 Cb 0.43 0.56 -0.13 0.00 1.72 0.00 0.00 39.33 41.92 1bwy h ASP 18 CO 0.01 -0.28 -0.18 0.22 -2.88 0.00 0.00 179.24 176.13 1bwy h TYR 19 N -0.06 -0.41 0.03 0.28 3.20 -1.05 -1.27 116.97 117.69 1bwy h TYR 19 Ca 0.32 0.06 -0.23 0.00 3.14 0.00 0.00 58.73 62.03 1bwy h TYR 19 Cb 0.57 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1bwy h TYR 19 CO -0.67 -0.30 -0.98 0.52 -1.64 0.00 0.00 178.16 175.09 1bwy h MET 20 N -0.02 0.30 -2.18 1.82 2.86 -0.83 -1.74 114.93 115.14 1bwy h MET 20 Ca 0.32 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1bwy h MET 20 Cb 0.50 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1bwy h MET 20 CO -0.69 1.08 0.02 1.17 1.06 0.00 0.00 176.91 179.54 1bwy n LYS 21 N -3.66 0.70 0.05 1.72 0.00 0.48 -1.03 118.16 116.42 1bwy n LYS 21 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 58.31 58.06 1bwy n LYS 21 Cb 0.87 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.47 1bwy n LYS 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1bwy n SER 22 N 2.11 -0.90 0.27 3.14 2.88 -1.18 -4.88 113.62 115.05 1bwy n SER 22 Ca 0.08 0.32 0.11 0.00 -1.33 0.00 0.00 58.87 58.05 1bwy n SER 22 Cb 0.34 1.08 0.73 0.00 -0.75 0.00 0.00 64.21 65.60 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 3.38 -1.07 -3.46 115.31 116.62 1bwy h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bwy h LEU 23 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bwy h LEU 23 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1bwy n GLY 24 N -1.27 3.03 0.34 0.83 0.00 -0.20 -4.93 105.19 103.00 1bwy n GLY 24 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1bwy n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bwy h VAL 25 N 0.00 0.06 -0.20 1.61 -1.51 -1.88 -3.33 116.25 111.00 1bwy h VAL 25 Ca 0.00 -0.01 -0.18 0.00 -1.23 0.00 0.00 66.70 65.28 1bwy h VAL 25 Cb 0.00 0.04 -0.14 0.00 -2.13 0.00 0.00 31.29 29.06 1bwy h VAL 25 CO 0.00 0.00 -0.43 0.61 -1.23 0.00 0.00 177.57 176.52 1bwy n GLY 26 N -1.53 -0.33 3.52 5.19 0.00 -1.26 -4.85 105.19 105.92 1bwy n GLY 26 Ca 0.19 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 1bwy n GLY 26 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bwy n PHE 27 N 1.92 -0.48 0.00 1.61 3.01 -1.25 -1.07 117.46 121.19 1bwy n PHE 27 Ca 0.10 0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1bwy n PHE 27 Cb 0.62 -1.90 0.00 0.00 -0.01 0.00 0.00 39.48 38.20 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bwy n ALA 28 N -3.49 0.00 -0.26 4.37 0.00 -1.26 -4.19 120.51 115.69 1bwy n ALA 28 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.68 1bwy n ALA 28 Cb 0.52 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.26 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 0.00 -0.32 -0.24 0.00 -2.24 -1.25 -0.48 114.28 109.76 1bwy n THR 29 Ca 0.00 1.64 0.24 0.00 -2.27 0.00 0.00 64.05 63.66 1bwy n THR 29 Cb 0.00 -2.47 0.44 0.00 -2.10 0.00 0.00 70.33 66.20 1bwy n THR 29 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1bwy n ARG 30 N -4.97 -0.04 -0.28 -0.78 -4.01 -0.24 -1.06 116.66 105.29 1bwy n ARG 30 Ca 0.21 1.03 0.22 0.00 -1.04 0.00 0.00 57.85 58.27 1bwy n ARG 30 Cb 0.70 -1.85 0.54 0.00 -3.04 0.00 0.00 32.46 28.81 1bwy n ARG 30 CO 0.00 0.00 0.00 -0.56 -3.04 0.00 0.00 177.63 174.03 1bwy h GLN 31 N 0.00 0.34 0.00 2.89 -0.00 -1.07 0.67 115.11 117.94 1bwy h GLN 31 Ca 0.63 -0.02 -0.39 0.00 -0.00 0.00 0.00 58.65 58.87 1bwy h GLN 31 Cb 1.66 -0.08 -0.06 0.00 -0.00 0.00 0.00 27.48 29.00 1bwy h GLN 31 CO -0.58 0.23 -2.39 1.55 -0.00 0.00 0.00 178.83 177.65 1bwy n VAL 32 N -4.52 1.38 -0.34 1.86 3.14 -0.22 -4.61 118.33 115.02 1bwy n VAL 32 Ca 0.22 -0.45 0.21 0.00 -2.96 0.00 0.00 64.34 61.36 1bwy n VAL 32 Cb 0.82 -1.57 0.45 0.00 -1.06 0.00 0.00 33.84 32.49 1bwy n VAL 32 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1bwy h GLY 33 N 0.61 1.60 0.56 7.55 0.00 -0.70 0.14 103.07 112.83 1bwy h GLY 33 Ca -0.58 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 46.51 1bwy h GLY 33 CO -0.22 -0.22 -0.23 3.45 0.00 0.00 0.00 176.54 179.32 1bwy h ASN 34 N 0.47 -0.65 1.73 0.19 7.08 -1.14 -3.21 115.58 120.05 1bwy h ASN 34 Ca 0.64 0.08 -0.04 0.00 -3.08 0.00 0.00 56.30 53.90 1bwy h ASN 34 Cb 1.43 0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 37.92 1bwy h ASN 34 CO -0.40 -0.31 -0.27 0.24 -2.08 0.00 0.00 177.43 174.60 1bwy h MET 35 N -0.41 0.00 -3.54 4.14 2.86 -1.06 -3.35 114.93 113.56 1bwy h MET 35 Ca 0.04 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.31 1bwy h MET 35 Cb 0.45 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.12 1bwy h MET 35 CO -0.15 0.16 2.49 2.41 1.06 0.00 0.00 176.91 182.87 1bwy n THR 36 N -3.10 2.23 -2.69 2.22 -1.04 -0.13 -3.90 114.28 107.87 1bwy n THR 36 Ca 0.03 -1.36 -0.07 0.00 -2.04 0.00 0.00 64.05 60.60 1bwy n THR 36 Cb 0.60 -2.10 0.07 0.00 -1.82 0.00 0.00 70.33 67.08 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bwy n LYS 37 N 4.44 1.23 -0.08 -2.82 4.76 -1.26 -4.94 118.16 119.49 1bwy n LYS 37 Ca 0.42 -2.68 -0.14 0.00 -2.87 0.00 0.00 58.31 53.03 1bwy n LYS 37 Cb 0.14 -0.78 -0.05 0.00 -1.84 0.00 0.00 35.03 32.50 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1bwy h PRO 38 N 2.52 0.76 -6.67 1.97 0.13 -1.68 -3.39 132.00 125.64 1bwy h PRO 38 Ca -0.18 -0.46 -0.70 0.00 -0.87 0.00 0.00 66.00 63.79 1bwy h PRO 38 Cb 1.23 0.05 -0.28 0.00 0.13 0.00 0.00 31.00 32.14 1bwy h PRO 38 CO 0.24 1.09 -0.88 0.99 -0.23 0.00 0.00 178.00 179.21 1bwy s THR 39 N -4.18 2.17 -0.25 1.56 2.01 -0.98 -0.38 115.64 115.59 1bwy s THR 39 Ca -0.12 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.60 1bwy s THR 39 Cb 0.09 -1.81 0.11 0.00 0.01 0.00 0.00 72.50 70.90 1bwy s THR 39 CO 0.86 0.45 0.26 -0.89 -0.69 0.00 0.00 174.62 174.61 1bwy s THR 40 N -0.74 -0.36 -0.36 -0.82 2.01 0.04 -0.84 115.64 114.58 1bwy s THR 40 Ca 0.11 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1bwy s THR 40 Cb -0.10 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1bwy s THR 40 CO 0.01 -0.35 1.26 -0.63 -0.69 0.00 0.00 174.62 174.22 1bwy s ILE 41 N 2.34 4.17 -0.12 1.82 1.01 0.30 -0.43 121.20 130.29 1bwy s ILE 41 Ca 0.09 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.96 1bwy s ILE 41 Cb -0.15 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1bwy s ILE 41 CO -0.23 -0.62 0.11 -0.63 0.00 0.00 0.00 174.94 173.57 1bwy s ILE 42 N 4.46 5.26 -0.19 2.92 -1.09 -0.33 -0.02 121.20 132.20 1bwy s ILE 42 Ca 0.54 0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 59.03 1bwy s ILE 42 Cb -0.14 -3.29 0.08 0.00 -1.58 0.00 0.00 42.46 37.54 1bwy s ILE 42 CO 0.25 0.60 0.17 -0.70 -1.23 0.00 0.00 174.94 174.03 1bwy s GLU 43 N -0.86 0.14 -1.20 2.79 2.12 -0.23 -0.44 118.70 121.01 1bwy s GLU 43 Ca 0.14 0.07 -0.21 0.00 0.36 0.00 0.00 54.97 55.33 1bwy s GLU 43 Cb -0.12 -1.46 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 1bwy s GLU 43 CO 0.03 -0.67 1.82 0.08 -0.54 0.00 0.00 175.26 175.98 1bwy s VAL 44 N 2.25 3.80 0.83 3.70 1.01 -1.26 -0.63 120.40 130.10 1bwy s VAL 44 Ca 0.05 -1.27 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1bwy s VAL 44 Cb -0.16 -4.82 0.03 0.00 0.00 0.00 0.00 36.38 31.44 1bwy s VAL 44 CO -0.11 -1.47 0.72 -3.20 0.00 0.00 0.00 175.10 171.03 1bwy n ASN 45 N 11.55 -0.76 0.00 3.32 5.15 -1.11 -4.83 115.26 128.58 1bwy n ASN 45 Ca 0.45 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 1bwy n ASN 45 Cb 0.47 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 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 1.21 0.00 0.25 8.20 0.00 -1.26 -0.48 105.19 113.10 1bwy n GLY 46 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.44 2.36 -0.69 1.61 5.75 -1.26 -5.06 116.55 117.82 1bwy n ASP 47 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1bwy n ASP 47 Cb 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 -0.11 0.00 -3.70 2.12 -2.24 0.37 -4.73 114.28 105.99 1bwy n THR 48 Ca 0.04 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1bwy n THR 48 Cb 0.32 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.57 -0.01 -0.11 2.28 0.11 0.08 -2.73 120.40 118.45 1bwy s VAL 49 Ca 0.00 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1bwy s VAL 49 Cb 0.00 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1bwy s VAL 49 CO 0.00 0.01 -0.10 -0.51 -3.33 0.00 0.00 175.10 171.17 1bwy s ILE 50 N 0.63 3.38 -0.04 7.04 2.07 0.20 -0.35 121.20 134.14 1bwy s ILE 50 Ca -0.03 -0.56 -0.15 0.00 -1.41 0.00 0.00 60.65 58.50 1bwy s ILE 50 Cb -0.05 -2.41 -0.05 0.00 0.13 0.00 0.00 42.46 40.07 1bwy s ILE 50 CO -0.04 0.54 0.40 -0.51 -1.91 0.00 0.00 174.94 173.42 1bwy s ILE 51 N -0.05 5.09 -0.37 2.00 2.07 -0.04 -1.07 121.20 128.82 1bwy s ILE 51 Ca -0.01 0.80 0.01 0.00 -1.41 0.00 0.00 60.65 60.04 1bwy s ILE 51 Cb -0.14 -3.71 0.15 0.00 0.13 0.00 0.00 42.46 38.89 1bwy s ILE 51 CO 0.03 0.53 0.24 -0.75 -1.91 0.00 0.00 174.94 173.08 1bwy s LYS 52 N -0.69 0.70 0.02 3.50 2.20 0.97 -0.75 119.74 125.69 1bwy s LYS 52 Ca 0.23 -1.55 -0.30 0.00 -0.36 0.00 0.00 55.97 53.99 1bwy s LYS 52 Cb -0.16 -1.44 -0.04 0.00 -1.51 0.00 0.00 37.83 34.69 1bwy s LYS 52 CO 0.12 -1.24 1.06 0.99 -0.36 0.00 0.00 175.35 175.92 1bwy s THR 53 N 0.80 4.57 0.02 3.43 2.01 0.98 -0.54 115.64 126.92 1bwy s THR 53 Ca 0.21 1.84 0.06 0.00 0.31 0.00 0.00 61.69 64.11 1bwy s THR 53 Cb -0.18 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 1bwy s THR 53 CO -0.03 0.14 -0.17 -1.10 -0.69 0.00 0.00 174.62 172.77 1bwy s GLN 54 N 1.04 1.22 0.12 4.92 -0.21 -0.02 -0.85 119.66 125.88 1bwy s GLN 54 Ca 0.54 -0.77 -0.04 0.00 0.02 0.00 0.00 55.36 55.12 1bwy s GLN 54 Cb -0.24 -1.25 0.02 0.00 1.00 0.00 0.00 33.01 32.54 1bwy s GLN 54 CO 0.28 0.32 0.23 0.45 -2.12 0.00 0.00 175.29 174.46 1bwy n SER 55 N 2.13 -0.67 -4.63 5.90 2.88 -1.21 -2.32 113.62 115.69 1bwy n SER 55 Ca -0.17 -1.49 -0.43 0.00 -1.33 0.00 0.00 58.87 55.46 1bwy n SER 55 Cb 0.54 1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 65.10 1bwy n SER 55 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1bwy s THR 56 N -2.71 4.60 -1.92 2.46 -1.32 -1.26 -4.15 115.64 111.33 1bwy s THR 56 Ca 0.05 1.54 0.00 0.00 -1.21 0.00 0.00 61.69 62.07 1bwy s THR 56 Cb -0.01 -4.33 0.00 0.00 -1.51 0.00 0.00 72.50 66.64 1bwy s THR 56 CO 0.04 -0.42 0.00 0.33 -2.21 0.00 0.00 174.62 172.36 1bwy n PHE 57 N 6.67 -0.73 -2.74 9.09 7.35 -1.26 -4.87 117.46 130.98 1bwy n PHE 57 Ca 0.09 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.73 1bwy n PHE 57 Cb 0.47 -3.86 0.04 0.00 0.35 0.00 0.00 39.48 36.48 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1bwy n LYS 58 N -2.85 0.54 -4.30 -4.13 4.81 -1.26 -5.14 118.16 105.83 1bwy n LYS 58 Ca -0.24 -1.63 -0.35 0.00 -0.87 0.00 0.00 58.31 55.22 1bwy n LYS 58 Cb 0.69 -1.15 -0.09 0.00 0.02 0.00 0.00 35.03 34.50 1bwy n LYS 58 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1bwy s ASN 59 N -0.23 5.40 -0.03 3.14 0.01 -1.26 -3.31 114.94 118.65 1bwy s ASN 59 Ca 0.30 0.19 -0.16 0.00 -0.71 0.00 0.00 52.86 52.47 1bwy s ASN 59 Cb 0.13 -1.56 0.03 0.00 0.41 0.00 0.00 41.25 40.25 1bwy s ASN 59 CO -0.14 0.38 0.36 0.42 -1.51 0.00 0.00 177.10 176.61 1bwy s THR 60 N -0.89 0.04 -0.10 1.60 -4.23 -0.03 -5.01 115.64 107.03 1bwy s THR 60 Ca 0.13 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.14 1bwy s THR 60 Cb -0.11 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.11 1bwy s THR 60 CO 0.03 -0.20 0.34 -1.83 -0.54 0.00 0.00 174.62 172.42 1bwy s GLU 61 N -1.13 0.49 -0.14 3.99 -1.05 -1.26 -0.01 118.70 119.58 1bwy s GLU 61 Ca -0.12 0.30 -0.11 0.00 -0.15 0.00 0.00 54.97 54.89 1bwy s GLU 61 Cb -0.04 0.23 0.04 0.00 -0.44 0.00 0.00 34.13 33.92 1bwy s GLU 61 CO 0.04 -0.09 0.36 0.42 0.95 0.00 0.00 175.26 176.94 1bwy s ILE 62 N -0.25 -0.01 -0.04 1.83 1.01 0.07 -4.98 121.20 118.83 1bwy s ILE 62 Ca -0.04 0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 1bwy s ILE 62 Cb -0.03 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 1bwy s ILE 62 CO 0.02 0.02 0.54 -0.94 0.00 0.00 0.00 174.94 174.57 1bwy s SER 63 N 0.64 6.86 0.32 3.58 1.04 -1.26 -0.87 113.70 124.02 1bwy s SER 63 Ca -0.04 1.03 0.02 0.00 0.48 0.00 0.00 55.95 57.44 1bwy s SER 63 Cb -0.05 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 1bwy s SER 63 CO -0.04 0.09 0.35 0.72 0.98 0.00 0.00 173.24 175.34 1bwy s PHE 64 N 0.00 1.38 -0.02 5.02 -0.71 0.52 -4.99 117.98 119.19 1bwy s PHE 64 Ca 0.29 -1.46 0.06 0.00 -1.04 0.00 0.00 56.93 54.77 1bwy s PHE 64 Cb -0.17 -0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 41.21 1bwy s PHE 64 CO 0.15 -0.96 -0.19 0.21 -1.34 0.00 0.00 175.22 173.09 1bwy s LYS 65 N -3.36 1.57 -0.89 1.99 2.47 -1.26 -0.74 119.74 119.51 1bwy s LYS 65 Ca 0.36 -0.66 -0.07 0.00 -1.56 0.00 0.00 55.97 54.04 1bwy s LYS 65 Cb 0.02 -1.49 -0.11 0.00 -1.46 0.00 0.00 37.83 34.79 1bwy s LYS 65 CO 0.23 0.38 2.61 1.47 0.16 0.00 0.00 175.35 180.20 1bwy n LEU 66 N 2.69 5.93 0.00 5.43 -0.00 -1.26 -3.55 117.00 126.24 1bwy n LEU 66 Ca -0.15 -3.28 0.00 0.00 -0.00 0.00 0.00 56.01 52.58 1bwy n LEU 66 Cb 0.53 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1bwy n LEU 66 CO 0.24 1.26 0.00 0.61 -0.00 0.00 0.00 177.39 179.50 1bwy n GLY 67 N 3.38 -0.76 3.80 1.47 0.00 -0.18 -4.51 105.19 108.39 1bwy n GLY 67 Ca 0.52 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.65 1bwy n GLY 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bwy n VAL 68 N 0.00 0.00 -4.92 1.61 3.14 -1.17 -5.03 118.33 111.96 1bwy n VAL 68 Ca 0.00 -0.61 -0.28 0.00 -2.96 0.00 0.00 64.34 60.49 1bwy n VAL 68 Cb 0.00 0.80 -0.15 0.00 -1.06 0.00 0.00 33.84 33.43 1bwy n VAL 68 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1bwy s GLU 69 N -2.06 1.70 0.06 1.45 -1.05 -1.26 -1.74 118.70 115.80 1bwy s GLU 69 Ca 0.22 -0.94 0.03 0.00 -0.15 0.00 0.00 54.97 54.13 1bwy s GLU 69 Cb -0.03 -1.76 -0.03 0.00 -0.44 0.00 0.00 34.13 31.87 1bwy s GLU 69 CO 0.06 0.47 -0.10 -0.59 0.95 0.00 0.00 175.26 176.04 1bwy s PHE 70 N -0.69 0.91 0.10 4.83 -0.71 -0.13 -4.94 117.98 117.35 1bwy s PHE 70 Ca 0.09 -0.50 -0.31 0.00 -1.04 0.00 0.00 56.93 55.17 1bwy s PHE 70 Cb -0.09 -0.52 -0.07 0.00 -1.21 0.00 0.00 43.02 41.13 1bwy s PHE 70 CO 0.01 -0.03 1.26 0.34 -1.34 0.00 0.00 175.22 175.46 1bwy s ASP 71 N -1.72 7.00 -0.07 1.98 2.15 -1.26 -0.42 116.67 124.32 1bwy s ASP 71 Ca -0.06 2.16 0.03 0.00 0.43 0.00 0.00 52.55 55.12 1bwy s ASP 71 Cb -0.09 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 1bwy s ASP 71 CO 0.01 -0.51 -0.17 -0.70 -0.17 0.00 0.00 175.17 173.64 1bwy s GLU 72 N 0.79 2.10 0.04 4.34 2.12 -0.24 -4.88 118.70 122.97 1bwy s GLU 72 Ca 0.59 -0.59 0.06 0.00 0.36 0.00 0.00 54.97 55.40 1bwy s GLU 72 Cb -0.32 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 1bwy s GLU 72 CO 0.31 0.12 -0.18 -0.08 -0.54 0.00 0.00 175.26 174.89 1bwy s THR 73 N 0.44 1.43 0.26 -1.70 -1.32 -1.25 0.15 115.64 113.64 1bwy s THR 73 Ca -0.14 -1.12 -0.05 0.00 -1.21 0.00 0.00 61.69 59.17 1bwy s THR 73 Cb -0.16 -1.26 -0.02 0.00 -1.51 0.00 0.00 72.50 69.55 1bwy s THR 73 CO 0.05 0.11 0.34 0.28 -2.21 0.00 0.00 174.62 173.19 1bwy s THR 74 N -0.83 0.00 0.00 5.08 -1.32 -1.21 -4.96 115.64 112.40 1bwy s THR 74 Ca 0.05 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1bwy s THR 74 Cb -0.08 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 1bwy s THR 74 CO 0.02 0.00 1.07 0.00 -2.21 0.00 0.00 174.62 173.49 1bwy n ALA 75 N -0.39 2.60 -0.50 11.08 0.00 -1.26 -0.44 120.51 131.59 1bwy n ALA 75 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1bwy n ALA 75 Cb 0.63 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 0.58 1.43 -1.99 0.00 5.75 -1.26 -5.00 116.55 116.05 1bwy n ASP 76 Ca 0.00 -1.89 -0.18 0.00 -0.01 0.00 0.00 54.79 52.71 1bwy n ASP 76 Cb 0.50 -0.07 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.47 -5.20 -4.09 -1.12 2.03 0.41 -4.65 116.55 103.47 1bwy n ASP 77 Ca 0.02 0.01 -0.39 0.00 0.52 0.00 0.00 54.79 54.96 1bwy n ASP 77 Cb 0.39 -4.27 -0.04 0.00 -0.72 0.00 0.00 41.12 36.48 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bwy n ARG 78 N -2.70 2.09 -1.36 -0.67 5.12 -1.21 -4.81 116.66 113.13 1bwy n ARG 78 Ca -0.21 -2.43 -0.41 0.00 -1.93 0.00 0.00 57.85 52.87 1bwy n ARG 78 Cb 0.66 -3.32 -0.03 0.00 -1.16 0.00 0.00 32.46 28.60 1bwy n ARG 78 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1bwy n LYS 79 N 7.45 2.18 -0.70 5.56 0.00 -1.26 -3.33 118.16 128.06 1bwy n LYS 79 Ca 0.49 -2.14 0.00 0.00 0.00 0.00 0.00 58.31 56.66 1bwy n LYS 79 Cb 0.43 -3.03 0.00 0.00 0.00 0.00 0.00 35.03 32.43 1bwy n LYS 79 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1bwy n VAL 80 N 5.41 0.00 -4.15 3.15 0.24 0.12 -4.89 118.33 118.21 1bwy n VAL 80 Ca 0.52 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.64 1bwy n VAL 80 Cb 0.37 -1.21 -0.15 0.00 -1.47 0.00 0.00 33.84 31.38 1bwy n VAL 80 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1bwy s LYS 81 N -1.70 0.59 -0.14 7.34 2.20 0.23 -1.08 119.74 127.17 1bwy s LYS 81 Ca 0.00 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1bwy s LYS 81 Cb 0.00 -0.61 0.02 0.00 -1.51 0.00 0.00 37.83 35.73 1bwy s LYS 81 CO 0.00 0.01 -0.18 -1.12 -0.36 0.00 0.00 175.35 173.70 1bwy s SER 82 N 0.42 2.85 -0.15 1.43 0.01 0.44 -0.05 113.70 118.65 1bwy s SER 82 Ca -0.05 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1bwy s SER 82 Cb -0.09 -1.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.81 1bwy s SER 82 CO -0.00 0.01 -0.01 -0.51 0.41 0.00 0.00 173.24 173.14 1bwy s ILE 83 N 1.14 4.18 -0.06 1.44 -1.16 -0.31 -0.96 121.20 125.49 1bwy s ILE 83 Ca -0.01 -0.26 0.03 0.00 -0.51 0.00 0.00 60.65 59.90 1bwy s ILE 83 Cb -0.14 -2.83 0.01 0.00 0.61 0.00 0.00 42.46 40.11 1bwy s ILE 83 CO -0.07 0.51 -0.14 -0.69 -2.81 0.00 0.00 174.94 171.74 1bwy s VAL 84 N 0.10 1.21 -0.28 4.00 1.01 -0.71 -1.59 120.40 124.15 1bwy s VAL 84 Ca 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1bwy s VAL 84 Cb -0.13 -1.08 0.15 0.00 0.00 0.00 0.00 36.38 35.32 1bwy s VAL 84 CO 0.02 0.37 0.40 0.42 0.00 0.00 0.00 175.10 176.31 1bwy s THR 85 N 0.42 -0.63 0.07 3.92 -4.23 -0.25 -1.01 115.64 113.93 1bwy s THR 85 Ca -0.10 -0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 59.87 1bwy s THR 85 Cb -0.14 -0.94 -0.06 0.00 1.34 0.00 0.00 72.50 72.70 1bwy s THR 85 CO 0.03 -0.24 1.17 -1.48 -0.54 0.00 0.00 174.62 173.56 1bwy s LEU 86 N 2.55 4.39 0.00 4.79 0.05 -1.26 -3.07 118.68 126.12 1bwy s LEU 86 Ca 0.11 2.00 0.00 0.00 0.05 0.00 0.00 54.13 56.28 1bwy s LEU 86 Cb -0.13 -3.58 0.00 0.00 -2.05 0.00 0.00 46.19 40.43 1bwy s LEU 86 CO -0.26 -0.42 0.82 -0.90 -0.55 0.00 0.00 176.35 175.04 1bwy n ASP 87 N 3.70 2.35 0.00 1.48 5.75 0.13 -4.61 116.55 125.35 1bwy n ASP 87 Ca 0.08 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1bwy n ASP 87 Cb 0.47 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.41 2.22 1.30 6.12 0.00 -1.26 -4.75 105.19 109.24 1bwy n GLY 88 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 3.75 -0.02 0.00 -1.26 -5.03 105.19 102.57 1bwy n GLY 89 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.52 4.59 -0.99 1.61 3.01 -1.26 -4.90 119.74 120.28 1bwy s LYS 90 Ca 0.00 1.23 -0.23 0.00 -1.01 0.00 0.00 55.97 55.95 1bwy s LYS 90 Cb 0.00 -3.35 0.00 0.00 -1.01 0.00 0.00 37.83 33.48 1bwy s LYS 90 CO 0.00 0.32 1.69 -1.17 0.51 0.00 0.00 175.35 176.71 1bwy s LEU 91 N -0.29 3.36 -0.26 3.17 0.20 0.34 -0.69 118.68 124.51 1bwy s LEU 91 Ca 0.41 -1.18 -0.29 0.00 0.69 0.00 0.00 54.13 53.76 1bwy s LEU 91 Cb -0.22 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1bwy s LEU 91 CO 0.26 -2.08 1.63 -0.69 -0.29 0.00 0.00 176.35 175.19 1bwy s VAL 92 N 7.34 3.67 -0.22 1.68 1.01 -1.17 -0.67 120.40 132.03 1bwy s VAL 92 Ca 0.57 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1bwy s VAL 92 Cb -0.03 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1bwy s VAL 92 CO -0.04 -0.35 -0.08 -2.28 0.00 0.00 0.00 175.10 172.34 1bwy s HIS 93 N 5.53 2.96 -0.03 5.22 5.04 -1.22 -1.09 115.29 131.71 1bwy s HIS 93 Ca 0.72 -1.35 0.06 0.00 -1.54 0.00 0.00 55.06 52.95 1bwy s HIS 93 Cb -0.24 -2.05 -0.02 0.00 0.04 0.00 0.00 32.58 30.32 1bwy s HIS 93 CO 0.30 -0.68 -0.20 0.54 -2.34 0.00 0.00 174.74 172.36 1bwy s VAL 94 N 1.37 2.56 -0.34 0.89 0.11 -0.62 -1.24 120.40 123.13 1bwy s VAL 94 Ca 0.03 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1bwy s VAL 94 Cb -0.15 -1.96 0.11 0.00 -1.53 0.00 0.00 36.38 32.85 1bwy s VAL 94 CO -0.06 0.56 0.12 -1.58 -3.33 0.00 0.00 175.10 170.81 1bwy s GLN 95 N -0.74 1.01 0.46 1.54 0.74 0.39 -1.16 119.66 121.91 1bwy s GLN 95 Ca 0.11 -1.45 -0.02 0.00 0.05 0.00 0.00 55.36 54.05 1bwy s GLN 95 Cb -0.10 -2.35 -0.01 0.00 1.10 0.00 0.00 33.01 31.64 1bwy s GLN 95 CO 0.00 -1.01 0.71 -1.59 -0.55 0.00 0.00 175.29 172.85 1bwy s LYS 96 N 1.19 3.24 0.18 1.67 -2.85 0.92 -0.25 119.74 123.84 1bwy s LYS 96 Ca 0.12 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1bwy s LYS 96 Cb -0.19 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.09 1bwy s LYS 96 CO -0.16 -0.24 0.00 -2.67 0.10 0.00 0.00 175.35 172.38 1bwy n TRP 97 N -2.15 -1.52 0.00 1.78 2.14 -0.93 -0.60 117.44 116.17 1bwy n TRP 97 Ca 0.00 0.27 0.00 0.00 2.07 0.00 0.00 57.50 59.84 1bwy n TRP 97 Cb 0.57 0.52 0.00 0.00 -0.81 0.00 0.00 31.31 31.59 1bwy n TRP 97 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1bwy n ASN 98 N -3.13 0.00 0.16 -0.67 6.94 -1.26 -4.85 115.26 112.45 1bwy n ASN 98 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.64 1bwy n ASN 98 Cb 0.01 0.16 0.08 0.00 -2.36 0.00 0.00 39.78 37.67 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 -1.95 4.83 0.00 -2.03 -3.47 103.07 100.45 1bwy h GLY 99 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1bwy h GLY 99 CO 0.00 0.00 -0.20 1.20 0.00 0.00 0.00 176.54 177.54 1bwy s GLN 100 N -3.15 1.72 0.36 4.80 1.11 -1.26 -5.19 119.66 118.05 1bwy s GLN 100 Ca 0.04 -1.57 0.04 0.00 0.01 0.00 0.00 55.36 53.88 1bwy s GLN 100 Cb 0.07 0.44 -0.03 0.00 -1.01 0.00 0.00 33.01 32.47 1bwy s GLN 100 CO 0.72 -0.71 0.15 -1.21 0.01 0.00 0.00 175.29 174.26 1bwy s GLU 101 N -3.47 1.77 0.08 2.91 8.01 -1.26 -2.18 118.70 124.55 1bwy s GLU 101 Ca 0.28 -2.04 0.03 0.00 0.01 0.00 0.00 54.97 53.26 1bwy s GLU 101 Cb 0.00 -0.34 -0.03 0.00 -4.31 0.00 0.00 34.13 29.44 1bwy s GLU 101 CO 0.15 -0.46 -0.10 -0.08 0.01 0.00 0.00 175.26 174.78 1bwy s THR 102 N -3.39 0.85 -0.12 3.63 -1.32 0.66 -4.93 115.64 111.02 1bwy s THR 102 Ca 0.31 -1.49 -0.02 0.00 -1.21 0.00 0.00 61.69 59.28 1bwy s THR 102 Cb 0.04 -1.18 -0.03 0.00 -1.51 0.00 0.00 72.50 69.82 1bwy s THR 102 CO 0.17 -0.50 -0.05 -0.44 -2.21 0.00 0.00 174.62 171.59 1bwy s SER 103 N -2.20 4.71 -0.47 8.08 0.01 -0.91 -0.46 113.70 122.46 1bwy s SER 103 Ca 0.01 -0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.24 1bwy s SER 103 Cb -0.05 -1.54 0.18 0.00 0.21 0.00 0.00 66.02 64.82 1bwy s SER 103 CO 0.00 0.25 0.56 -1.48 0.41 0.00 0.00 173.24 172.98 1bwy s LEU 104 N -0.12 -0.28 0.53 2.44 0.05 -0.38 -0.93 118.68 119.99 1bwy s LEU 104 Ca 0.02 -2.26 -0.20 0.00 0.05 0.00 0.00 54.13 51.74 1bwy s LEU 104 Cb -0.13 0.93 -0.06 0.00 -2.05 0.00 0.00 46.19 44.88 1bwy s LEU 104 CO 0.03 -0.11 1.18 0.54 -0.55 0.00 0.00 176.35 177.44 1bwy s VAL 105 N 0.57 2.93 -0.23 1.48 0.11 -1.25 -3.42 120.40 120.59 1bwy s VAL 105 Ca 0.31 0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.98 1bwy s VAL 105 Cb 0.01 -3.28 0.06 0.00 -1.53 0.00 0.00 36.38 31.65 1bwy s VAL 105 CO -0.11 -0.09 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.40 1bwy s ARG 106 N -3.10 1.58 0.05 1.54 0.52 0.16 -2.55 118.95 117.13 1bwy s ARG 106 Ca 0.71 -0.96 0.04 0.00 -0.52 0.00 0.00 55.73 55.00 1bwy s ARG 106 Cb -0.28 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 1bwy s ARG 106 CO 0.32 -0.60 -0.11 -2.00 0.02 0.00 0.00 175.30 172.93 1bwy s GLU 107 N 1.42 0.73 -0.08 3.54 2.12 -1.02 -0.50 118.70 124.91 1bwy s GLU 107 Ca -0.06 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 54.55 1bwy s GLU 107 Cb -0.19 -0.67 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 1bwy s GLU 107 CO -0.06 0.15 -0.21 1.41 -0.54 0.00 0.00 175.26 176.01 1bwy s MET 108 N -1.35 2.76 0.34 4.30 -2.45 -1.26 -0.43 119.30 121.21 1bwy s MET 108 Ca -0.03 -0.83 -0.04 0.00 -1.25 0.00 0.00 55.69 53.54 1bwy s MET 108 Cb -0.09 -2.30 0.00 0.00 1.25 0.00 0.00 34.83 33.70 1bwy s MET 108 CO 0.01 0.36 0.49 0.14 1.05 0.00 0.00 175.02 177.07 1bwy s VAL 109 N -0.08 0.00 0.00 10.11 -7.23 -0.85 -5.01 120.40 117.34 1bwy s VAL 109 Ca -0.05 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1bwy s VAL 109 Cb -0.14 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1bwy s VAL 109 CO 0.04 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.16 1bwy n ASP 110 N -1.31 0.00 -1.01 4.85 2.03 -1.26 -1.30 116.55 118.55 1bwy n ASP 110 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bwy n ASP 110 Cb 0.62 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.77 3.20 0.27 0.00 -1.26 -5.12 105.19 103.05 1bwy n GLY 111 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.16 -0.08 1.61 1.02 -0.42 -4.38 119.74 118.65 1bwy s LYS 112 Ca 0.13 -1.58 0.02 0.00 0.02 0.00 0.00 55.97 54.56 1bwy s LYS 112 Cb 0.15 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.75 1bwy s LYS 112 CO -0.07 -0.37 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.69 1bwy s LEU 113 N -3.13 1.65 -0.13 3.17 0.20 0.32 -2.01 118.68 118.74 1bwy s LEU 113 Ca 0.36 -0.34 -0.01 0.00 0.69 0.00 0.00 54.13 54.82 1bwy s LEU 113 Cb 0.07 -0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 44.90 1bwy s LEU 113 CO 0.10 0.03 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.47 1bwy s ILE 114 N 0.79 3.43 -0.27 6.68 1.01 0.43 -0.19 121.20 133.08 1bwy s ILE 114 Ca -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1bwy s ILE 114 Cb -0.16 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.87 1bwy s ILE 114 CO 0.02 0.52 -0.01 -0.76 0.00 0.00 0.00 174.94 174.71 1bwy s LEU 115 N 0.26 3.48 -1.17 2.97 1.43 0.17 -2.42 118.68 123.39 1bwy s LEU 115 Ca -0.06 -0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 52.10 1bwy s LEU 115 Cb -0.15 -1.74 0.23 0.00 0.03 0.00 0.00 46.19 44.56 1bwy s LEU 115 CO 0.04 -0.16 1.44 0.35 0.23 0.00 0.00 176.35 178.25 1bwy n THR 116 N 4.74 4.58 -2.27 5.49 -2.24 -1.06 -0.99 114.28 122.54 1bwy n THR 116 Ca -0.15 -5.09 -0.40 0.00 -2.27 0.00 0.00 64.05 56.13 1bwy n THR 116 Cb 0.47 -2.41 -0.03 0.00 -2.10 0.00 0.00 70.33 66.27 1bwy n THR 116 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bwy s LEU 117 N -0.45 3.28 -0.07 3.22 1.02 0.13 -3.80 118.68 122.00 1bwy s LEU 117 Ca 0.36 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.66 1bwy s LEU 117 Cb -0.01 -2.69 0.01 0.00 0.02 0.00 0.00 46.19 43.53 1bwy s LEU 117 CO -0.00 -2.05 -0.12 0.28 0.02 0.00 0.00 176.35 174.48 1bwy s THR 118 N 7.35 1.13 -0.26 5.49 -1.32 -0.11 0.01 115.64 127.94 1bwy s THR 118 Ca 0.55 -0.46 -0.27 0.00 -1.21 0.00 0.00 61.69 60.30 1bwy s THR 118 Cb -0.11 -1.05 0.16 0.00 -1.51 0.00 0.00 72.50 69.98 1bwy s THR 118 CO 0.20 0.36 1.21 -2.28 -2.21 0.00 0.00 174.62 171.91 1bwy s HIS 119 N 0.83 -0.25 -1.19 9.09 5.04 -0.81 -2.14 115.29 125.86 1bwy s HIS 119 Ca -0.11 0.54 -0.06 0.00 -1.54 0.00 0.00 55.06 53.89 1bwy s HIS 119 Cb -0.15 0.44 -0.02 0.00 0.04 0.00 0.00 32.58 32.89 1bwy s HIS 119 CO 0.02 -0.15 0.81 0.41 -2.34 0.00 0.00 174.74 173.49 1bwy n GLY 120 N 1.43 -0.68 4.65 1.59 0.00 -1.26 -2.45 105.19 108.47 1bwy n GLY 120 Ca -0.09 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.97 0.00 -1.79 2.61 -1.04 -1.26 -4.92 114.28 103.91 1bwy n THR 121 Ca -0.20 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 1bwy n THR 121 Cb 0.64 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.12 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 0.00 3.27 -0.50 2.41 0.00 -1.02 -4.96 121.76 120.95 1bwy s ALA 122 Ca 0.00 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 52.79 1bwy s ALA 122 Cb 0.00 -3.90 0.13 0.00 0.00 0.00 0.00 23.12 19.34 1bwy s ALA 122 CO 0.00 -2.00 0.38 0.08 0.00 0.00 0.00 175.76 174.23 1bwy s VAL 123 N 5.70 4.35 -0.46 0.00 1.01 -1.26 -1.93 120.40 127.80 1bwy s VAL 123 Ca 0.86 -1.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1bwy s VAL 123 Cb -0.35 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1bwy s VAL 123 CO 0.36 -0.80 0.38 0.00 0.00 0.00 0.00 175.10 175.03 1bwy s THR 125 N 1.63 2.58 0.21 0.00 -4.23 -1.25 -0.70 115.64 113.88 1bwy s THR 125 Ca 0.04 0.55 0.10 0.00 -1.18 0.00 0.00 61.69 61.20 1bwy s THR 125 Cb -0.24 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 1bwy s THR 125 CO 0.07 0.12 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.03 1bwy s ARG 126 N -1.41 1.99 -0.02 3.99 0.52 -0.16 -2.64 118.95 121.22 1bwy s ARG 126 Ca 0.53 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1bwy s ARG 126 Cb -0.42 -2.08 -0.00 0.00 0.52 0.00 0.00 34.95 32.98 1bwy s ARG 126 CO 0.52 0.41 -0.09 -0.08 0.02 0.00 0.00 175.30 176.08 1bwy s THR 127 N -1.88 0.73 0.35 0.02 -1.32 0.14 -0.66 115.64 113.02 1bwy s THR 127 Ca 0.26 -0.36 0.08 0.00 -1.21 0.00 0.00 61.69 60.46 1bwy s THR 127 Cb -0.08 -0.63 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 1bwy s THR 127 CO 0.15 0.22 0.18 -0.31 -2.21 0.00 0.00 174.62 172.65 1bwy s TYR 128 N 0.00 2.72 -0.18 9.09 1.51 0.73 -0.77 117.35 130.46 1bwy s TYR 128 Ca 0.00 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1bwy s TYR 128 Cb -0.06 -1.74 0.05 0.00 -0.11 0.00 0.00 41.96 40.10 1bwy s TYR 128 CO -0.00 0.27 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.66 1bwy s GLU 129 N -3.89 1.36 -1.17 -0.62 2.12 0.88 -0.52 118.70 116.85 1bwy s GLU 129 Ca 0.39 -0.55 -0.19 0.00 0.36 0.00 0.00 54.97 54.98 1bwy s GLU 129 Cb -0.02 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 1bwy s GLU 129 CO 0.24 -0.47 1.98 1.17 -0.54 0.00 0.00 175.26 177.64 1bwy n LYS 130 N 4.87 2.30 -0.24 4.30 0.00 -1.26 -0.70 118.16 127.42 1bwy n LYS 130 Ca -0.11 -2.49 0.04 0.00 0.00 0.00 0.00 58.31 55.75 1bwy n LYS 130 Cb 0.47 -3.30 0.17 0.00 0.00 0.00 0.00 35.03 32.37 1bwy n LYS 130 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1bwy h GLN 131 N 7.54 0.37 0.00 1.64 5.75 -1.52 -3.47 115.11 125.42 1bwy h GLN 131 Ca 0.44 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1bwy h GLN 131 Cb 0.75 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1bwy h GLN 131 CO 1.71 0.25 0.00 0.00 -2.65 0.00 0.00 178.83 178.13