#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 4.17 0.01 6.55 9.92 -1.26 -1.18 116.55 134.76 1bwy n ASP 2 Ca 0.00 -2.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.00 1bwy n ASP 2 Cb 0.00 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 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 4.24 0.00 -0.19 2.24 0.00 -1.26 -4.97 120.51 120.57 1bwy n ALA 3 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1bwy n ALA 3 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 1.12 -0.80 0.00 0.04 -1.55 -3.44 116.94 112.31 1bwy h PHE 4 Ca 0.00 -0.22 -0.81 0.00 2.80 0.00 0.00 57.97 59.74 1bwy h PHE 4 Cb 0.00 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 1bwy h PHE 4 CO 0.00 1.03 0.97 0.28 -0.60 0.00 0.00 178.31 179.99 1bwy n VAL 5 N -4.19 0.07 0.00 -0.55 0.31 -1.23 -4.54 118.33 108.20 1bwy n VAL 5 Ca 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1bwy n VAL 5 Cb 0.38 -0.72 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 5.28 0.59 3.10 2.92 0.00 0.22 -5.03 105.19 112.28 1bwy n GLY 6 Ca 0.38 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.41 -0.12 2.61 2.01 -1.26 -1.03 115.64 117.44 1bwy s THR 7 Ca 0.00 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1bwy s THR 7 Cb 0.00 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1bwy s THR 7 CO 0.00 0.09 -0.15 0.26 -0.69 0.00 0.00 174.62 174.13 1bwy s TRP 8 N 2.27 2.77 -0.02 4.92 0.52 0.65 -0.61 118.94 129.43 1bwy s TRP 8 Ca -0.02 -0.71 0.04 0.00 0.02 0.00 0.00 56.10 55.44 1bwy s TRP 8 Cb -0.12 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1bwy s TRP 8 CO -0.10 -0.24 -0.14 0.21 0.02 0.00 0.00 176.95 176.70 1bwy s LYS 9 N 0.33 2.42 0.45 4.98 2.20 -0.02 0.39 119.74 130.49 1bwy s LYS 9 Ca -0.12 -0.76 -0.24 0.00 -0.36 0.00 0.00 55.97 54.49 1bwy s LYS 9 Cb -0.16 -2.36 -0.09 0.00 -1.51 0.00 0.00 37.83 33.71 1bwy s LYS 9 CO 0.06 0.60 1.18 -0.11 -0.36 0.00 0.00 175.35 176.72 1bwy n LEU 10 N 2.02 3.77 0.00 5.43 0.00 -0.34 -1.19 117.00 126.69 1bwy n LEU 10 Ca -0.17 1.04 0.00 0.00 0.00 0.00 0.00 56.01 56.89 1bwy n LEU 10 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.49 1bwy n LEU 10 CO 0.27 -0.99 0.00 0.55 0.00 0.00 0.00 177.39 177.21 1bwy n VAL 11 N -0.53 0.00 -4.15 1.96 3.14 -1.10 -4.81 118.33 112.85 1bwy n VAL 11 Ca 0.08 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.16 1bwy n VAL 11 Cb 0.41 -0.57 -0.08 0.00 -1.06 0.00 0.00 33.84 32.54 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 -2.43 5.00 0.07 6.55 1.01 -1.26 -4.98 116.67 120.63 1bwy s ASP 12 Ca 0.00 -0.17 -0.13 0.00 0.71 0.00 0.00 52.55 52.95 1bwy s ASP 12 Cb 0.00 -1.19 0.05 0.00 1.01 0.00 0.00 42.92 42.79 1bwy s ASP 12 CO 0.00 0.18 0.62 -0.24 0.21 0.00 0.00 175.17 175.95 1bwy n SER 13 N 0.64 -0.90 0.00 0.27 2.88 -1.26 -0.29 113.62 114.95 1bwy n SER 13 Ca -0.11 -1.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 1bwy n SER 13 Cb 0.52 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 65.42 1bwy n SER 13 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bwy n LYS 14 N -0.44 0.00 -2.89 -1.46 2.85 -1.24 -5.01 118.16 109.97 1bwy n LYS 14 Ca -0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1bwy n LYS 14 Cb 0.33 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.74 1bwy n LYS 14 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1bwy n ASN 15 N 0.00 -6.13 -0.12 -5.58 5.15 -1.26 -4.26 115.26 103.05 1bwy n ASN 15 Ca 0.00 -0.23 -0.25 0.00 -0.60 0.00 0.00 54.58 53.50 1bwy n ASN 15 Cb 0.00 -4.98 -0.10 0.00 -0.53 0.00 0.00 39.78 34.17 1bwy n ASN 15 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1bwy n PHE 16 N -4.43 0.42 0.00 1.20 7.35 -1.26 -3.09 117.46 117.66 1bwy n PHE 16 Ca -0.14 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1bwy n PHE 16 Cb 0.64 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.45 1bwy n PHE 16 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1bwy n ASP 17 N -4.34 0.00 0.05 -2.13 5.75 -1.26 -0.79 116.55 113.83 1bwy n ASP 17 Ca -0.43 0.05 -0.13 0.00 -0.01 0.00 0.00 54.79 54.27 1bwy n ASP 17 Cb 0.78 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.78 1bwy n ASP 17 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1bwy h ASP 18 N 0.00 -1.31 -0.73 -1.12 3.58 -1.96 -3.00 116.42 111.87 1bwy h ASP 18 Ca 0.00 0.16 0.16 0.00 0.42 0.00 0.00 57.03 57.77 1bwy h ASP 18 Cb 0.00 0.51 -0.13 0.00 1.72 0.00 0.00 39.33 41.44 1bwy h ASP 18 CO 0.00 -0.46 -0.03 0.22 -2.88 0.00 0.00 179.24 176.09 1bwy h TYR 19 N -0.58 -0.11 0.00 0.28 5.03 -1.33 0.25 116.97 120.51 1bwy h TYR 19 Ca 0.05 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 1bwy h TYR 19 Cb 0.66 0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.10 1bwy h TYR 19 CO -0.44 -0.25 -0.15 0.00 -1.32 0.00 0.00 178.16 176.01 1bwy h MET 20 N 0.08 0.00 -2.18 1.82 -0.00 -0.83 -2.99 114.93 110.84 1bwy h MET 20 Ca 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.99 1bwy h MET 20 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.23 1bwy h MET 20 CO -0.66 0.15 -0.12 1.17 -0.00 0.00 0.00 176.91 177.44 1bwy n LYS 21 N -4.09 1.28 0.01 -0.10 3.00 0.88 -1.37 118.16 117.78 1bwy n LYS 21 Ca -0.02 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.76 1bwy n LYS 21 Cb 0.23 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.60 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 2.33 -0.21 -0.08 3.14 2.88 -1.21 -4.93 113.62 115.55 1bwy n SER 22 Ca 0.23 0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1bwy n SER 22 Cb 0.60 0.37 0.28 0.00 -0.75 0.00 0.00 64.21 64.70 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 0.64 0.00 2.46 -0.00 -1.36 -3.47 115.31 113.57 1bwy h LEU 23 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1bwy h LEU 23 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1bwy h LEU 23 CO 0.00 0.60 0.00 0.61 -0.00 0.00 0.00 178.44 179.65 1bwy n GLY 24 N -1.06 3.15 0.51 0.83 0.00 -0.47 -4.83 105.19 103.32 1bwy n GLY 24 Ca 0.04 -0.94 0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.02 1.61 3.14 -1.24 -0.97 118.33 120.85 1bwy n VAL 25 Ca 0.00 1.16 -0.01 0.00 -2.96 0.00 0.00 64.34 62.53 1bwy n VAL 25 Cb 0.00 -2.04 -0.01 0.00 -1.06 0.00 0.00 33.84 30.74 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 -1.66 -1.19 3.80 7.55 0.00 -1.23 -1.16 105.19 111.30 1bwy n GLY 26 Ca 0.25 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 1bwy n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bwy s PHE 27 N -3.30 2.94 0.00 1.61 -0.71 -0.14 -1.11 117.98 117.28 1bwy s PHE 27 Ca -0.01 1.50 0.00 0.00 -1.04 0.00 0.00 56.93 57.39 1bwy s PHE 27 Cb 0.01 -3.01 0.00 0.00 -1.21 0.00 0.00 43.02 38.81 1bwy s PHE 27 CO 0.03 -1.24 0.00 0.00 -1.34 0.00 0.00 175.22 172.68 1bwy n ALA 28 N -2.33 0.00 -0.01 1.99 0.00 -1.26 -4.12 120.51 114.78 1bwy n ALA 28 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 1bwy n ALA 28 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 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 0.38 0.32 0.00 -1.04 -1.25 -4.75 114.28 107.94 1bwy n THR 29 Ca 0.00 0.33 0.15 0.00 -2.04 0.00 0.00 64.05 62.49 1bwy n THR 29 Cb 0.00 -1.57 0.65 0.00 -1.82 0.00 0.00 70.33 67.59 1bwy n THR 29 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1bwy h ARG 30 N -0.19 0.00 -0.94 -2.82 2.43 -0.88 0.67 114.38 112.65 1bwy h ARG 30 Ca 0.00 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 1bwy h ARG 30 Cb 0.19 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.57 1bwy h ARG 30 CO 0.00 0.00 -0.21 1.96 -1.51 0.00 0.00 179.97 180.21 1bwy h GLN 31 N 0.00 0.00 0.07 0.20 1.08 -1.35 0.99 115.11 116.09 1bwy h GLN 31 Ca 0.00 -0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.83 1bwy h GLN 31 Cb 0.36 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1bwy h GLN 31 CO 0.00 0.00 -2.18 1.55 -0.95 0.00 0.00 178.83 177.25 1bwy n VAL 32 N -5.59 1.65 -0.34 -0.54 3.14 0.03 -4.27 118.33 112.42 1bwy n VAL 32 Ca 0.15 -0.64 0.09 0.00 -2.96 0.00 0.00 64.34 60.98 1bwy n VAL 32 Cb 0.49 -1.52 0.25 0.00 -1.06 0.00 0.00 33.84 32.01 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 1.72 1.60 2.00 7.55 0.00 -0.76 0.18 103.07 115.35 1bwy h GLY 33 Ca -0.48 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1bwy h GLY 33 CO 0.02 0.05 0.00 1.16 0.00 0.00 0.00 176.54 177.77 1bwy n ASN 34 N -4.73 0.41 -0.07 0.19 6.94 0.32 -4.21 115.26 114.11 1bwy n ASN 34 Ca 0.19 0.54 -0.06 0.00 -0.02 0.00 0.00 54.58 55.24 1bwy n ASN 34 Cb 0.43 -0.65 -0.02 0.00 -2.36 0.00 0.00 39.78 37.18 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 -1.89 0.42 -2.67 -3.83 1.56 0.41 -4.69 117.12 106.43 1bwy n MET 35 Ca 0.06 0.31 -0.43 0.00 -0.27 0.00 0.00 57.70 57.36 1bwy n MET 35 Cb 0.37 -1.40 0.00 0.00 2.15 0.00 0.00 33.22 34.34 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 -4.21 4.05 -0.99 1.12 5.66 0.06 -4.83 114.28 115.15 1bwy n THR 36 Ca -0.09 -4.29 0.00 0.00 -3.05 0.00 0.00 64.05 56.61 1bwy n THR 36 Cb 0.35 -2.40 0.00 0.00 -1.55 0.00 0.00 70.33 66.73 1bwy n THR 36 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1bwy n LYS 37 N 7.18 0.00 -2.16 1.09 2.85 -1.26 -4.72 118.16 121.14 1bwy n LYS 37 Ca 0.45 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.35 1bwy n LYS 37 Cb 0.44 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.84 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1bwy s PRO 38 N -0.46 3.21 0.23 -1.58 0.04 -1.26 -4.68 135.00 130.50 1bwy s PRO 38 Ca 0.00 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.77 1bwy s PRO 38 Cb 0.00 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1bwy s PRO 38 CO 0.00 -0.98 0.28 0.99 0.04 0.00 0.00 177.00 177.33 1bwy s THR 39 N -1.73 4.92 -0.05 1.26 2.01 -1.14 -1.20 115.64 119.71 1bwy s THR 39 Ca 0.74 -1.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1bwy s THR 39 Cb -0.26 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1bwy s THR 39 CO 0.29 -0.30 0.07 -0.89 -0.69 0.00 0.00 174.62 173.11 1bwy s THR 40 N -1.99 -0.13 -0.13 -0.82 2.01 0.16 -2.45 115.64 112.29 1bwy s THR 40 Ca 0.33 0.38 -0.22 0.00 0.31 0.00 0.00 61.69 62.49 1bwy s THR 40 Cb -0.09 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1bwy s THR 40 CO 0.27 0.15 0.68 -0.63 -0.69 0.00 0.00 174.62 174.40 1bwy s ILE 41 N 2.18 5.02 -0.23 1.82 1.01 -0.05 -0.25 121.20 130.70 1bwy s ILE 41 Ca 0.05 1.35 0.02 0.00 0.00 0.00 0.00 60.65 62.07 1bwy s ILE 41 Cb -0.12 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.38 1bwy s ILE 41 CO -0.04 0.17 -0.15 -0.63 0.00 0.00 0.00 174.94 174.30 1bwy s ILE 42 N 1.39 2.14 -0.01 2.92 1.09 -0.20 -0.61 121.20 127.92 1bwy s ILE 42 Ca 0.34 -1.34 0.06 0.00 -1.10 0.00 0.00 60.65 58.61 1bwy s ILE 42 Cb -0.17 -2.11 -0.02 0.00 -1.06 0.00 0.00 42.46 39.11 1bwy s ILE 42 CO 0.14 0.21 -0.21 -0.70 -0.10 0.00 0.00 174.94 174.28 1bwy s GLU 43 N 1.18 1.66 -1.25 2.79 2.12 -0.23 -0.61 118.70 124.37 1bwy s GLU 43 Ca -0.03 -0.76 -0.20 0.00 0.36 0.00 0.00 54.97 54.34 1bwy s GLU 43 Cb -0.17 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.59 1bwy s GLU 43 CO -0.08 0.44 1.84 1.55 -0.54 0.00 0.00 175.26 178.47 1bwy n VAL 44 N 2.52 2.99 -1.08 3.70 3.14 -1.26 -0.71 118.33 127.63 1bwy n VAL 44 Ca -0.15 -3.09 -0.34 0.00 -2.96 0.00 0.00 64.34 57.80 1bwy n VAL 44 Cb 0.53 -2.27 -0.11 0.00 -1.06 0.00 0.00 33.84 30.93 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 11.10 1.51 0.00 6.55 5.15 -0.25 -4.77 115.26 134.55 1bwy n ASN 45 Ca 0.47 -2.54 0.00 0.00 -0.60 0.00 0.00 54.58 51.91 1bwy n ASN 45 Cb 0.46 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 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 5.36 0.23 0.08 8.20 0.00 -1.26 -0.54 105.19 117.25 1bwy n GLY 46 Ca 0.45 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 47.08 1bwy n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bwy h ASP 47 N 0.00 0.00 -4.89 1.61 2.03 -1.99 -3.48 116.42 109.70 1bwy h ASP 47 Ca 0.00 -0.01 -0.32 0.00 -0.73 0.00 0.00 57.03 55.97 1bwy h ASP 47 Cb 0.00 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1bwy h ASP 47 CO 0.00 1.01 -0.15 0.35 -1.03 0.00 0.00 179.24 179.42 1bwy n THR 48 N -3.10 0.00 -4.85 1.15 -2.24 0.29 -4.90 114.28 100.63 1bwy n THR 48 Ca -0.14 -1.23 -0.25 0.00 -2.27 0.00 0.00 64.05 60.15 1bwy n THR 48 Cb 1.03 -0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.51 1.42 -0.11 2.28 0.11 0.38 -1.09 120.40 121.87 1bwy s VAL 49 Ca 0.19 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1bwy s VAL 49 Cb -0.02 -1.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 1bwy s VAL 49 CO 0.12 0.40 -0.15 -0.51 -3.33 0.00 0.00 175.10 171.64 1bwy s ILE 50 N -0.23 2.91 -0.17 7.04 2.07 0.11 -1.16 121.20 131.77 1bwy s ILE 50 Ca 0.02 -0.72 0.01 0.00 -1.41 0.00 0.00 60.65 58.55 1bwy s ILE 50 Cb -0.09 -2.20 0.02 0.00 0.13 0.00 0.00 42.46 40.33 1bwy s ILE 50 CO 0.00 0.54 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.75 1bwy s ILE 51 N 0.19 1.99 -0.32 2.00 -1.09 0.57 -1.07 121.20 123.47 1bwy s ILE 51 Ca -0.09 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1bwy s ILE 51 Cb -0.15 -1.80 0.10 0.00 -1.58 0.00 0.00 42.46 39.03 1bwy s ILE 51 CO 0.05 0.53 0.09 -0.75 -1.23 0.00 0.00 174.94 173.63 1bwy s LYS 52 N 1.28 0.91 -0.09 2.79 2.20 0.22 -0.72 119.74 126.33 1bwy s LYS 52 Ca 0.04 -1.29 -0.02 0.00 -0.36 0.00 0.00 55.97 54.34 1bwy s LYS 52 Cb -0.13 -2.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1bwy s LYS 52 CO -0.12 -0.98 2.46 -2.37 -0.36 0.00 0.00 175.35 173.99 1bwy n THR 53 N 4.68 2.48 -1.68 3.43 5.66 -1.04 -0.87 114.28 126.93 1bwy n THR 53 Ca -0.00 -1.13 -0.43 0.00 -3.05 0.00 0.00 64.05 59.44 1bwy n THR 53 Cb 0.42 -1.60 -0.03 0.00 -1.55 0.00 0.00 70.33 67.56 1bwy n THR 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bwy n GLN 54 N 1.51 2.77 -1.31 1.09 10.64 -1.03 -4.59 117.38 126.46 1bwy n GLN 54 Ca 0.19 1.01 0.00 0.00 -1.83 0.00 0.00 57.00 56.38 1bwy n GLN 54 Cb 0.62 -2.92 0.00 0.00 -0.86 0.00 0.00 30.24 27.09 1bwy n GLN 54 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1bwy n SER 55 N 6.04 1.62 -4.50 2.61 2.88 0.13 -2.86 113.62 119.53 1bwy n SER 55 Ca 0.19 -0.65 -0.41 0.00 -1.33 0.00 0.00 58.87 56.66 1bwy n SER 55 Cb 0.38 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.73 1bwy n SER 55 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1bwy n THR 56 N 0.00 -0.01 -3.21 2.46 5.66 -1.26 -1.19 114.28 116.72 1bwy n THR 56 Ca 0.00 -0.27 -0.17 0.00 -3.05 0.00 0.00 64.05 60.56 1bwy n THR 56 Cb 0.00 -1.29 -0.03 0.00 -1.55 0.00 0.00 70.33 67.46 1bwy n THR 56 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1bwy n PHE 57 N 12.02 -1.53 -3.65 1.09 -1.74 -1.26 -4.88 117.46 117.51 1bwy n PHE 57 Ca 0.55 0.28 -0.10 0.00 -0.56 0.00 0.00 57.45 57.61 1bwy n PHE 57 Cb 0.20 -1.28 -0.03 0.00 1.52 0.00 0.00 39.48 39.89 1bwy n PHE 57 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1bwy s LYS 58 N -5.59 1.31 0.00 3.97 1.02 -0.33 -5.15 119.74 114.96 1bwy s LYS 58 Ca 0.34 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1bwy s LYS 58 Cb -0.20 0.53 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1bwy s LYS 58 CO 0.41 -0.55 0.00 0.09 -0.92 0.00 0.00 175.35 174.38 1bwy n ASN 59 N -0.33 0.00 -4.85 2.83 3.02 -1.26 -0.70 115.26 113.97 1bwy n ASN 59 Ca -0.13 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.18 1bwy n ASN 59 Cb 0.63 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.77 1bwy n ASN 59 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bwy s THR 60 N -2.24 2.03 -0.14 3.41 -4.23 -1.26 -4.77 115.64 108.44 1bwy s THR 60 Ca 0.00 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1bwy s THR 60 Cb 0.00 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.31 1bwy s THR 60 CO 0.00 0.00 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.22 1bwy s GLU 61 N -4.14 2.39 -0.03 3.99 2.12 -1.26 -2.50 118.70 119.27 1bwy s GLU 61 Ca 0.38 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 55.14 1bwy s GLU 61 Cb -0.01 -2.10 -0.00 0.00 0.26 0.00 0.00 34.13 32.28 1bwy s GLU 61 CO 0.22 -0.16 -0.13 0.42 -0.54 0.00 0.00 175.26 175.08 1bwy s ILE 62 N 1.25 1.08 -0.05 -3.70 1.01 0.10 -5.00 121.20 115.89 1bwy s ILE 62 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1bwy s ILE 62 Cb -0.14 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.44 1bwy s ILE 62 CO -0.07 0.32 0.10 -0.94 0.00 0.00 0.00 174.94 174.34 1bwy s SER 63 N 0.01 0.75 0.17 3.58 1.04 -1.26 -0.31 113.70 117.68 1bwy s SER 63 Ca -0.01 0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 1bwy s SER 63 Cb -0.09 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1bwy s SER 63 CO 0.01 -0.22 0.29 0.72 0.98 0.00 0.00 173.24 175.02 1bwy s PHE 64 N 1.98 0.43 -0.13 5.02 -0.12 -0.31 -4.99 117.98 119.86 1bwy s PHE 64 Ca 0.01 -0.79 -0.07 0.00 -0.05 0.00 0.00 56.93 56.04 1bwy s PHE 64 Cb -0.12 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1bwy s PHE 64 CO -0.04 -0.74 0.12 0.21 -0.05 0.00 0.00 175.22 174.72 1bwy s LYS 65 N -3.98 3.49 -1.11 1.99 2.47 -1.26 -0.47 119.74 120.87 1bwy s LYS 65 Ca 0.19 -0.19 -0.07 0.00 -1.56 0.00 0.00 55.97 54.34 1bwy s LYS 65 Cb 0.03 -3.17 -0.08 0.00 -1.46 0.00 0.00 37.83 33.16 1bwy s LYS 65 CO 0.01 0.69 2.51 1.47 0.16 0.00 0.00 175.35 180.19 1bwy n LEU 66 N 2.26 6.34 0.00 5.43 -0.00 -1.26 -3.57 117.00 126.20 1bwy n LEU 66 Ca -0.19 -3.43 0.00 0.00 -0.00 0.00 0.00 56.01 52.39 1bwy n LEU 66 Cb 0.54 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 1bwy n LEU 66 CO 0.32 1.24 0.00 0.61 -0.00 0.00 0.00 177.39 179.55 1bwy n GLY 67 N 3.59 -1.60 3.79 1.47 0.00 -0.12 -3.46 105.19 108.85 1bwy n GLY 67 Ca 0.57 0.49 -0.03 0.00 0.00 0.00 0.00 46.02 47.04 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 0.08 1.61 0.11 -0.63 -5.00 120.40 116.57 1bwy s VAL 68 Ca 0.00 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 1bwy s VAL 68 Cb 0.00 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1bwy s VAL 68 CO 0.00 0.00 -0.13 -1.83 -3.33 0.00 0.00 175.10 169.81 1bwy s GLU 69 N -2.96 0.84 0.00 1.54 -1.05 -1.26 -0.92 118.70 114.90 1bwy s GLU 69 Ca 0.15 -1.04 -0.28 0.00 -0.15 0.00 0.00 54.97 53.64 1bwy s GLU 69 Cb -0.02 -0.74 0.10 0.00 -0.44 0.00 0.00 34.13 33.04 1bwy s GLU 69 CO 0.03 0.15 0.88 -0.59 0.95 0.00 0.00 175.26 176.68 1bwy s PHE 70 N -1.71 -0.35 0.02 4.83 -0.71 -0.25 -4.99 117.98 114.83 1bwy s PHE 70 Ca 0.01 0.21 -0.30 0.00 -1.04 0.00 0.00 56.93 55.81 1bwy s PHE 70 Cb -0.07 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 1bwy s PHE 70 CO 0.02 -0.56 1.15 0.34 -1.34 0.00 0.00 175.22 174.83 1bwy s ASP 71 N -2.50 7.14 -0.13 1.98 -1.08 -1.26 -0.65 116.67 120.17 1bwy s ASP 71 Ca 0.05 1.89 0.01 0.00 -0.52 0.00 0.00 52.55 53.99 1bwy s ASP 71 Cb -0.01 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.89 1bwy s ASP 71 CO -0.09 -0.45 -0.16 -0.70 0.52 0.00 0.00 175.17 174.29 1bwy s GLU 72 N 1.28 2.41 -0.47 4.34 2.12 0.41 -4.88 118.70 123.91 1bwy s GLU 72 Ca 0.57 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1bwy s GLU 72 Cb -0.27 -2.07 0.12 0.00 0.26 0.00 0.00 34.13 32.18 1bwy s GLU 72 CO 0.27 -0.11 0.24 0.99 -0.54 0.00 0.00 175.26 176.12 1bwy s THR 73 N 1.10 3.00 -0.04 -1.70 2.01 -1.26 -0.83 115.64 117.91 1bwy s THR 73 Ca -0.03 -2.62 0.03 0.00 0.31 0.00 0.00 61.69 59.38 1bwy s THR 73 Cb -0.14 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1bwy s THR 73 CO -0.04 -0.74 -0.12 0.28 -0.69 0.00 0.00 174.62 173.31 1bwy s THR 74 N 0.48 3.26 0.00 -0.82 -1.32 -0.18 -4.91 115.64 112.15 1bwy s THR 74 Ca 0.13 -0.69 -0.05 0.00 -1.21 0.00 0.00 61.69 59.87 1bwy s THR 74 Cb -0.22 -2.31 -0.22 0.00 -1.51 0.00 0.00 72.50 68.24 1bwy s THR 74 CO -0.04 0.56 3.20 0.00 -2.21 0.00 0.00 174.62 176.13 1bwy n ALA 75 N 2.18 5.71 0.16 11.08 0.00 -1.26 -0.44 120.51 137.94 1bwy n ALA 75 Ca -0.17 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1bwy n ALA 75 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 2.39 -2.81 -0.22 0.00 5.75 -1.26 -4.92 116.55 115.48 1bwy n ASP 76 Ca 0.34 0.67 0.14 0.00 -0.01 0.00 0.00 54.79 55.93 1bwy n ASP 76 Cb 0.80 2.76 0.54 0.00 -1.03 0.00 0.00 41.12 44.19 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 -3.15 0.81 0.00 -1.12 2.03 -1.22 -3.72 116.55 110.18 1bwy n ASP 77 Ca 0.00 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.43 1bwy n ASP 77 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.65 0.00 -2.37 -0.67 1.74 0.42 -4.61 116.66 110.52 1bwy n ARG 78 Ca 0.15 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 1bwy n ARG 78 Cb 0.30 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.72 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 3.98 0.11 5.56 2.20 -1.26 -1.01 119.74 129.32 1bwy s LYS 79 Ca 0.00 1.43 0.05 0.00 -0.36 0.00 0.00 55.97 57.09 1bwy s LYS 79 Cb 0.00 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 1bwy s LYS 79 CO 0.00 -1.04 -0.13 0.14 -0.36 0.00 0.00 175.35 173.96 1bwy s VAL 80 N 4.27 1.19 0.18 4.02 -7.23 -0.01 -4.57 120.40 118.24 1bwy s VAL 80 Ca 0.58 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 1bwy s VAL 80 Cb -0.19 -1.44 -0.08 0.00 0.56 0.00 0.00 36.38 35.23 1bwy s VAL 80 CO 0.22 -0.45 0.90 -0.54 -0.31 0.00 0.00 175.10 174.92 1bwy s LYS 81 N -2.63 4.73 -0.28 4.82 1.02 0.70 -0.45 119.74 127.65 1bwy s LYS 81 Ca 0.07 1.37 -0.11 0.00 0.02 0.00 0.00 55.97 57.32 1bwy s LYS 81 Cb -0.05 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1bwy s LYS 81 CO 0.02 0.43 0.18 -1.12 -0.92 0.00 0.00 175.35 173.95 1bwy s SER 82 N -0.78 5.94 -0.15 2.83 0.01 0.17 -0.49 113.70 121.23 1bwy s SER 82 Ca 0.41 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.64 1bwy s SER 82 Cb -0.24 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 63.90 1bwy s SER 82 CO 0.29 -0.06 -0.20 -0.51 0.41 0.00 0.00 173.24 173.18 1bwy s ILE 83 N 1.74 1.95 0.02 1.44 2.07 -0.21 -1.09 121.20 127.12 1bwy s ILE 83 Ca 0.07 -0.90 0.02 0.00 -1.41 0.00 0.00 60.65 58.43 1bwy s ILE 83 Cb -0.16 -1.75 -0.01 0.00 0.13 0.00 0.00 42.46 40.67 1bwy s ILE 83 CO 0.10 0.53 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.91 1bwy s VAL 84 N 1.01 0.47 -0.16 4.00 1.01 -0.10 -0.57 120.40 126.06 1bwy s VAL 84 Ca -0.03 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1bwy s VAL 84 Cb -0.15 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 35.83 1bwy s VAL 84 CO -0.05 -0.12 0.62 -0.89 0.00 0.00 0.00 175.10 174.65 1bwy s THR 85 N -0.71 0.01 -0.48 3.92 2.01 -0.11 -0.94 115.64 119.33 1bwy s THR 85 Ca -0.04 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 1bwy s THR 85 Cb -0.06 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1bwy s THR 85 CO 0.00 -0.03 0.94 -0.22 -0.69 0.00 0.00 174.62 174.62 1bwy s LEU 86 N -0.31 4.00 0.00 4.42 0.20 -1.22 -0.26 118.68 125.51 1bwy s LEU 86 Ca -0.05 0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.80 1bwy s LEU 86 Cb -0.03 -3.13 0.00 0.00 -0.43 0.00 0.00 46.19 42.60 1bwy s LEU 86 CO 0.04 -1.10 0.89 -0.90 -0.29 0.00 0.00 176.35 174.99 1bwy n ASP 87 N 7.27 2.64 0.00 3.68 5.75 0.11 -4.76 116.55 131.24 1bwy n ASP 87 Ca 0.05 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1bwy n ASP 87 Cb 0.48 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.50 1.33 0.03 6.12 0.00 -1.26 -4.59 105.19 107.32 1bwy n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.57 3.46 -0.02 0.00 -1.26 -5.06 105.19 101.74 1bwy n GLY 89 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1bwy n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s LYS 90 N -2.57 1.07 -0.73 1.61 -2.85 -1.26 -4.83 119.74 110.17 1bwy s LYS 90 Ca -0.05 -0.39 -0.27 0.00 -1.00 0.00 0.00 55.97 54.26 1bwy s LYS 90 Cb 0.06 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.35 1bwy s LYS 90 CO 0.49 -0.47 1.28 -0.48 0.10 0.00 0.00 175.35 176.28 1bwy s LEU 91 N -2.62 3.17 -0.22 2.77 2.34 -0.38 -0.71 118.68 123.03 1bwy s LEU 91 Ca 0.03 -0.42 -0.29 0.00 0.06 0.00 0.00 54.13 53.51 1bwy s LEU 91 Cb -0.01 -2.59 -0.01 0.00 -0.56 0.00 0.00 46.19 43.02 1bwy s LEU 91 CO -0.11 -1.82 1.24 0.68 -1.06 0.00 0.00 176.35 175.28 1bwy s VAL 92 N 5.72 4.29 -0.31 1.48 -7.23 0.64 -2.76 120.40 122.23 1bwy s VAL 92 Ca 0.36 1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 62.04 1bwy s VAL 92 Cb -0.08 -4.10 0.06 0.00 0.56 0.00 0.00 36.38 32.82 1bwy s VAL 92 CO 0.16 -0.26 0.02 -2.28 -0.31 0.00 0.00 175.10 172.43 1bwy s HIS 93 N 3.74 3.32 -0.14 2.82 5.04 -0.00 -0.93 115.29 129.14 1bwy s HIS 93 Ca 0.54 -2.00 -0.13 0.00 -1.54 0.00 0.00 55.06 51.92 1bwy s HIS 93 Cb -0.19 -2.27 -0.05 0.00 0.04 0.00 0.00 32.58 30.12 1bwy s HIS 93 CO 0.16 -0.83 0.28 0.08 -2.34 0.00 0.00 174.74 172.09 1bwy s VAL 94 N 1.22 5.30 -0.32 0.89 1.01 0.26 -1.05 120.40 127.71 1bwy s VAL 94 Ca -0.03 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1bwy s VAL 94 Cb -0.20 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.67 1bwy s VAL 94 CO -0.02 0.44 0.09 -1.58 0.00 0.00 0.00 175.10 174.03 1bwy s GLN 95 N 0.12 0.87 -0.30 2.72 2.00 0.38 -1.05 119.66 124.40 1bwy s GLN 95 Ca 0.17 -1.25 -0.03 0.00 -2.00 0.00 0.00 55.36 52.25 1bwy s GLN 95 Cb -0.13 -2.22 0.04 0.00 0.80 0.00 0.00 33.01 31.50 1bwy s GLN 95 CO 0.05 -0.98 0.01 0.21 -0.50 0.00 0.00 175.29 174.07 1bwy s LYS 96 N 1.44 2.51 -0.09 1.67 2.20 0.35 -0.77 119.74 127.06 1bwy s LYS 96 Ca 0.10 -1.21 0.18 0.00 -0.36 0.00 0.00 55.97 54.68 1bwy s LYS 96 Cb -0.18 -3.20 -0.24 0.00 -1.51 0.00 0.00 37.83 32.70 1bwy s LYS 96 CO -0.21 -0.60 0.38 -2.67 -0.36 0.00 0.00 175.35 171.89 1bwy n TRP 97 N 4.66 0.35 -0.46 4.03 2.14 -1.19 -0.21 117.44 126.76 1bwy n TRP 97 Ca -0.13 0.12 0.00 0.00 2.07 0.00 0.00 57.50 59.55 1bwy n TRP 97 Cb 0.44 -0.96 0.00 0.00 -0.81 0.00 0.00 31.31 29.98 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 -2.73 2.44 -0.33 -0.67 6.94 -1.26 -4.91 115.26 114.73 1bwy n ASN 98 Ca -0.21 0.00 0.25 0.00 -0.02 0.00 0.00 54.58 54.60 1bwy n ASN 98 Cb 0.97 0.00 0.48 0.00 -2.36 0.00 0.00 39.78 38.87 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 1.98 -1.84 4.83 0.00 -2.03 -3.41 103.07 102.59 1bwy h GLY 99 Ca 0.00 -0.14 -0.46 0.00 0.00 0.00 0.00 47.33 46.72 1bwy h GLY 99 CO 0.00 -0.59 -0.07 -0.86 0.00 0.00 0.00 176.54 175.02 1bwy s GLN 100 N -5.68 2.29 0.17 4.80 -2.07 -1.26 -5.15 119.66 112.77 1bwy s GLN 100 Ca -0.10 -1.31 -0.05 0.00 -1.82 0.00 0.00 55.36 52.08 1bwy s GLN 100 Cb 0.31 -2.57 -0.03 0.00 -1.09 0.00 0.00 33.01 29.63 1bwy s GLN 100 CO 0.78 -0.86 0.20 -1.83 -1.32 0.00 0.00 175.29 172.26 1bwy s GLU 101 N -4.73 1.14 0.05 9.60 1.03 -1.26 -3.13 118.70 121.40 1bwy s GLU 101 Ca 0.61 -1.39 -0.03 0.00 0.03 0.00 0.00 54.97 54.19 1bwy s GLU 101 Cb -0.07 0.32 -0.04 0.00 -0.80 0.00 0.00 34.13 33.53 1bwy s GLU 101 CO 0.39 -0.39 0.25 -0.08 -1.33 0.00 0.00 175.26 174.10 1bwy s THR 102 N -4.05 5.34 -0.05 1.83 -1.32 0.05 -4.29 115.64 113.16 1bwy s THR 102 Ca 0.26 -0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.65 1bwy s THR 102 Cb 0.05 -3.60 -0.02 0.00 -1.51 0.00 0.00 72.50 67.43 1bwy s THR 102 CO 0.05 0.20 -0.24 -0.94 -2.21 0.00 0.00 174.62 171.48 1bwy s SER 103 N -2.22 3.17 -0.15 8.08 1.04 0.26 -0.47 113.70 123.41 1bwy s SER 103 Ca 0.33 -0.47 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 1bwy s SER 103 Cb -0.13 -0.70 0.04 0.00 0.10 0.00 0.00 66.02 65.34 1bwy s SER 103 CO 0.23 0.28 0.39 -1.48 0.98 0.00 0.00 173.24 173.64 1bwy s LEU 104 N -0.35 0.40 -0.13 2.42 0.05 -0.21 -0.58 118.68 120.27 1bwy s LEU 104 Ca 0.02 0.80 -0.01 0.00 0.05 0.00 0.00 54.13 55.00 1bwy s LEU 104 Cb -0.12 1.34 0.03 0.00 -2.05 0.00 0.00 46.19 45.39 1bwy s LEU 104 CO 0.02 -0.15 -0.05 0.68 -0.55 0.00 0.00 176.35 176.31 1bwy s VAL 105 N 0.43 0.92 -0.11 1.48 -7.23 -0.43 -0.82 120.40 114.63 1bwy s VAL 105 Ca -0.02 -0.38 -0.05 0.00 -1.81 0.00 0.00 61.98 59.72 1bwy s VAL 105 Cb -0.04 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1bwy s VAL 105 CO -0.02 0.21 0.08 -0.13 -0.31 0.00 0.00 175.10 174.94 1bwy s ARG 106 N 1.73 3.28 0.06 4.82 3.00 -1.11 -2.71 118.95 128.02 1bwy s ARG 106 Ca 0.03 -0.24 -0.18 0.00 0.00 0.00 0.00 55.73 55.33 1bwy s ARG 106 Cb -0.14 -3.04 0.04 0.00 0.00 0.00 0.00 34.95 31.81 1bwy s ARG 106 CO -0.08 0.73 0.43 -2.00 0.00 0.00 0.00 175.30 174.38 1bwy s GLU 107 N -0.92 0.96 -0.27 3.54 2.56 -1.04 -1.25 118.70 122.28 1bwy s GLU 107 Ca 0.14 -0.40 -0.19 0.00 0.00 0.00 0.00 54.97 54.52 1bwy s GLU 107 Cb -0.12 0.43 -0.02 0.00 2.00 0.00 0.00 34.13 36.42 1bwy s GLU 107 CO 0.03 -0.34 0.54 1.41 -0.56 0.00 0.00 175.26 176.34 1bwy s MET 108 N -2.70 4.03 0.20 4.30 -2.45 -1.26 -0.65 119.30 120.77 1bwy s MET 108 Ca -0.04 0.32 -0.01 0.00 -1.25 0.00 0.00 55.69 54.71 1bwy s MET 108 Cb -0.00 -3.67 -0.04 0.00 1.25 0.00 0.00 34.83 32.37 1bwy s MET 108 CO -0.04 -0.41 0.15 0.14 1.05 0.00 0.00 175.02 175.91 1bwy s VAL 109 N 2.38 0.00 0.00 10.11 -7.23 -0.75 -4.96 120.40 119.95 1bwy s VAL 109 Ca 0.22 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1bwy s VAL 109 Cb -0.15 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1bwy s VAL 109 CO 0.10 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.22 1bwy n ASP 110 N -0.29 0.00 -0.73 4.85 2.03 -1.26 -1.15 116.55 120.01 1bwy n ASP 110 Ca 0.02 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.29 1bwy n ASP 110 Cb 0.66 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.53 3.04 0.27 0.00 -1.26 -5.14 105.19 102.62 1bwy n GLY 111 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.47 -0.23 1.61 1.02 -0.30 -4.72 119.74 117.60 1bwy s LYS 112 Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 1bwy s LYS 112 Cb 0.00 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 1bwy s LYS 112 CO 0.00 -0.06 1.32 -1.17 -0.92 0.00 0.00 175.35 174.51 1bwy s LEU 113 N -2.14 4.03 -0.22 3.17 2.96 0.55 -1.81 118.68 125.22 1bwy s LEU 113 Ca -0.05 1.49 -0.25 0.00 -0.22 0.00 0.00 54.13 55.09 1bwy s LEU 113 Cb -0.02 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 1bwy s LEU 113 CO -0.05 -0.94 0.87 -0.63 -1.32 0.00 0.00 176.35 174.28 1bwy s ILE 114 N 4.03 4.82 -0.29 6.68 1.09 0.18 -1.56 121.20 136.14 1bwy s ILE 114 Ca 0.57 1.66 0.03 0.00 -1.10 0.00 0.00 60.65 61.81 1bwy s ILE 114 Cb -0.20 -4.16 0.08 0.00 -1.06 0.00 0.00 42.46 37.13 1bwy s ILE 114 CO 0.20 -0.07 -0.01 -0.22 -0.10 0.00 0.00 174.94 174.73 1bwy s LEU 115 N 2.76 3.78 -0.12 2.97 1.98 0.29 -2.50 118.68 127.84 1bwy s LEU 115 Ca 0.37 -1.71 -0.15 0.00 -2.89 0.00 0.00 54.13 49.74 1bwy s LEU 115 Cb -0.15 -1.47 -0.05 0.00 0.66 0.00 0.00 46.19 45.18 1bwy s LEU 115 CO 0.08 -0.30 0.37 -0.89 -1.89 0.00 0.00 176.35 173.73 1bwy s THR 116 N 1.10 5.22 -0.09 3.68 2.01 -1.10 0.08 115.64 126.55 1bwy s THR 116 Ca 0.02 0.73 0.04 0.00 0.31 0.00 0.00 61.69 62.79 1bwy s THR 116 Cb -0.19 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1bwy s THR 116 CO -0.08 0.40 -0.23 -1.48 -0.69 0.00 0.00 174.62 172.54 1bwy s LEU 117 N 0.23 2.04 -0.03 4.42 0.05 -0.23 -1.32 118.68 123.85 1bwy s LEU 117 Ca 0.21 -0.53 -0.01 0.00 0.05 0.00 0.00 54.13 53.85 1bwy s LEU 117 Cb -0.14 -1.35 0.03 0.00 -2.05 0.00 0.00 46.19 42.68 1bwy s LEU 117 CO 0.08 0.15 0.06 0.28 -0.55 0.00 0.00 176.35 176.37 1bwy s THR 118 N 0.34 -0.05 0.35 5.48 -1.32 0.25 -0.74 115.64 119.95 1bwy s THR 118 Ca -0.17 0.17 0.09 0.00 -1.21 0.00 0.00 61.69 60.56 1bwy s THR 118 Cb -0.17 -0.12 -0.06 0.00 -1.51 0.00 0.00 72.50 70.63 1bwy s THR 118 CO 0.08 0.07 -0.07 -2.28 -2.21 0.00 0.00 174.62 170.21 1bwy s HIS 119 N 0.90 2.43 -0.99 9.09 5.04 0.13 -0.58 115.29 131.31 1bwy s HIS 119 Ca -0.07 -0.51 -0.13 0.00 -1.54 0.00 0.00 55.06 52.81 1bwy s HIS 119 Cb -0.10 -1.43 -0.09 0.00 0.04 0.00 0.00 32.58 31.01 1bwy s HIS 119 CO -0.03 0.56 2.13 0.41 -2.34 0.00 0.00 174.74 175.46 1bwy n GLY 120 N -0.83 3.16 0.00 1.59 0.00 -1.26 -3.52 105.19 104.33 1bwy n GLY 120 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1bwy n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwy n THR 121 N 4.96 0.00 -2.86 2.61 5.66 -1.26 -5.13 114.28 118.26 1bwy n THR 121 Ca 0.50 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 61.10 1bwy n THR 121 Cb 0.28 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.00 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bwy s ALA 122 N 0.00 3.35 -0.02 1.79 0.00 -1.23 -5.06 121.76 120.58 1bwy s ALA 122 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1bwy s ALA 122 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1bwy s ALA 122 CO 0.00 0.13 -0.03 0.08 0.00 0.00 0.00 175.76 175.94 1bwy s VAL 123 N -0.58 0.37 -0.23 0.00 1.01 -1.26 -0.70 120.40 119.01 1bwy s VAL 123 Ca 0.41 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 1bwy s VAL 123 Cb -0.23 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1bwy s VAL 123 CO 0.28 0.15 0.55 0.00 0.00 0.00 0.00 175.10 176.08 1bwy s THR 125 N 1.83 4.31 -0.17 0.00 -4.23 -1.26 -1.06 115.64 115.06 1bwy s THR 125 Ca -0.08 1.18 -0.16 0.00 -1.18 0.00 0.00 61.69 61.44 1bwy s THR 125 Cb -0.08 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.19 1bwy s THR 125 CO -0.16 -0.57 0.46 -0.60 -0.54 0.00 0.00 174.62 173.20 1bwy s ARG 126 N -3.89 0.54 0.13 3.99 3.00 0.11 -3.70 118.95 119.13 1bwy s ARG 126 Ca 0.61 0.63 0.03 0.00 -1.00 0.00 0.00 55.73 56.00 1bwy s ARG 126 Cb -0.11 0.26 -0.04 0.00 0.00 0.00 0.00 34.95 35.05 1bwy s ARG 126 CO 0.29 -0.07 -0.08 0.95 0.00 0.00 0.00 175.30 176.39 1bwy s THR 127 N 0.22 0.96 -0.04 4.11 -4.23 0.60 -0.55 115.64 116.71 1bwy s THR 127 Ca -0.00 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 1bwy s THR 127 Cb -0.03 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 72.01 1bwy s THR 127 CO 0.01 -0.77 0.18 -0.31 -0.54 0.00 0.00 174.62 173.18 1bwy s TYR 128 N -3.46 -0.10 -0.04 3.99 2.02 -0.60 -2.70 117.35 116.46 1bwy s TYR 128 Ca 0.15 0.22 0.03 0.00 -0.37 0.00 0.00 57.07 57.10 1bwy s TYR 128 Cb 0.04 0.02 0.00 0.00 -0.40 0.00 0.00 41.96 41.62 1bwy s TYR 128 CO -0.01 -0.20 -0.14 -2.00 -1.57 0.00 0.00 175.55 171.63 1bwy s GLU 129 N -0.64 1.53 -0.43 -0.62 2.12 -0.33 -0.33 118.70 120.00 1bwy s GLU 129 Ca -0.07 -0.48 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 1bwy s GLU 129 Cb -0.04 -1.33 0.03 0.00 0.26 0.00 0.00 34.13 33.04 1bwy s GLU 129 CO 0.01 0.16 1.14 0.21 -0.54 0.00 0.00 175.26 176.24 1bwy s LYS 130 N 0.23 3.81 0.18 4.30 2.20 -1.26 -0.84 119.74 128.35 1bwy s LYS 130 Ca -0.06 0.73 -0.08 0.00 -0.36 0.00 0.00 55.97 56.20 1bwy s LYS 130 Cb -0.12 -3.87 0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1bwy s LYS 130 CO 0.02 -1.26 1.57 -0.56 -0.36 0.00 0.00 175.35 174.76 1bwy h GLN 131 N 9.00 0.92 0.00 4.03 3.07 -1.23 -3.49 115.11 127.41 1bwy h GLN 131 Ca -0.23 -0.40 0.00 0.00 0.09 0.00 0.00 58.65 58.12 1bwy h GLN 131 Cb 1.06 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1bwy h GLN 131 CO 1.10 1.05 0.00 0.00 0.09 0.00 0.00 178.83 181.07