#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 4.36 0.00 6.55 8.00 -1.26 -0.86 116.55 133.34 1bwy n ASP 2 Ca 0.00 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.14 1bwy n ASP 2 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwy n ALA 3 N 4.70 0.00 -0.11 2.24 0.00 -1.26 -4.96 120.51 121.12 1bwy n ALA 3 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.62 1bwy n ALA 3 Cb 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 1bwy n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bwy n PHE 4 N -0.74 0.52 -1.64 0.00 3.72 -0.04 -4.55 117.46 114.73 1bwy n PHE 4 Ca 0.00 0.19 -0.60 0.00 -0.05 0.00 0.00 57.45 57.00 1bwy n PHE 4 Cb 0.00 -1.06 -0.08 0.00 -0.94 0.00 0.00 39.48 37.40 1bwy n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1bwy n VAL 5 N -4.12 0.18 0.00 -4.37 0.31 -0.78 -4.63 118.33 104.93 1bwy n VAL 5 Ca -0.43 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1bwy n VAL 5 Cb 0.84 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 4.77 0.39 3.33 2.92 0.00 0.11 -5.01 105.19 111.70 1bwy n GLY 6 Ca 0.32 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.11 2.61 2.01 -1.26 -0.76 115.64 118.35 1bwy s THR 7 Ca 0.00 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 1bwy s THR 7 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1bwy s THR 7 CO 0.00 -0.01 0.00 0.26 -0.69 0.00 0.00 174.62 174.18 1bwy s TRP 8 N 0.14 0.83 0.01 4.92 0.52 0.32 -0.72 118.94 124.96 1bwy s TRP 8 Ca -0.01 -1.10 0.02 0.00 0.02 0.00 0.00 56.10 55.03 1bwy s TRP 8 Cb -0.03 -0.50 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 1bwy s TRP 8 CO 0.01 -0.37 -0.06 -1.59 0.02 0.00 0.00 176.95 174.96 1bwy s LYS 9 N -3.95 0.48 0.42 4.98 -2.85 0.63 0.18 119.74 119.62 1bwy s LYS 9 Ca 0.17 -0.34 -0.26 0.00 -1.00 0.00 0.00 55.97 54.54 1bwy s LYS 9 Cb 0.07 -0.41 -0.10 0.00 -2.06 0.00 0.00 37.83 35.33 1bwy s LYS 9 CO -0.02 0.11 1.46 -0.11 0.10 0.00 0.00 175.35 176.88 1bwy n LEU 10 N 2.59 4.99 0.00 2.77 0.00 -0.90 -0.36 117.00 126.09 1bwy n LEU 10 Ca -0.15 1.17 0.00 0.00 0.00 0.00 0.00 56.01 57.02 1bwy n LEU 10 Cb 0.57 -1.61 0.00 0.00 0.00 0.00 0.00 43.42 42.38 1bwy n LEU 10 CO 0.24 -0.02 -0.33 0.55 0.00 0.00 0.00 177.39 177.83 1bwy n VAL 11 N 0.06 0.00 -4.15 1.96 3.14 -0.44 -4.84 118.33 114.06 1bwy n VAL 11 Ca 0.03 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.25 1bwy n VAL 11 Cb 0.40 -0.47 -0.12 0.00 -1.06 0.00 0.00 33.84 32.60 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 -3.12 1.49 0.06 6.55 2.15 -1.19 -5.02 116.67 117.59 1bwy s ASP 12 Ca 0.00 -0.65 -0.27 0.00 0.43 0.00 0.00 52.55 52.05 1bwy s ASP 12 Cb 0.00 -0.02 0.09 0.00 -0.30 0.00 0.00 42.92 42.68 1bwy s ASP 12 CO 0.00 -0.14 0.98 -0.55 -0.17 0.00 0.00 175.17 175.29 1bwy s SER 13 N -1.88 -0.23 0.33 -0.34 0.15 -1.26 -1.05 113.70 109.43 1bwy s SER 13 Ca -0.02 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 1bwy s SER 13 Cb -0.08 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1bwy s SER 13 CO 0.02 -0.70 0.43 -1.59 1.20 0.00 0.00 173.24 172.60 1bwy s LYS 14 N -3.09 1.86 -1.57 5.44 -2.85 -1.23 -4.96 119.74 113.34 1bwy s LYS 14 Ca 0.10 -1.78 -0.04 0.00 -1.00 0.00 0.00 55.97 53.25 1bwy s LYS 14 Cb -0.01 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1bwy s LYS 14 CO -0.03 -0.75 0.40 0.09 0.10 0.00 0.00 175.35 175.16 1bwy n ASN 15 N -1.37 -5.77 0.39 0.03 4.13 -1.26 -4.50 115.26 106.91 1bwy n ASN 15 Ca 0.02 -0.20 -0.18 0.00 1.68 0.00 0.00 54.58 55.90 1bwy n ASN 15 Cb 0.62 -4.71 -0.09 0.00 -1.54 0.00 0.00 39.78 34.05 1bwy n ASN 15 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1bwy h PHE 16 N -0.91 -0.89 0.14 3.10 -1.00 -1.93 -0.06 116.94 115.39 1bwy h PHE 16 Ca -0.50 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.25 1bwy h PHE 16 Cb 1.35 0.29 0.00 0.00 3.61 0.00 0.00 35.95 41.21 1bwy h PHE 16 CO 0.56 -0.55 -0.07 0.22 -1.61 0.00 0.00 178.31 176.87 1bwy h ASP 17 N -0.98 -0.16 -0.75 2.17 1.82 -1.92 -3.20 116.42 113.40 1bwy h ASP 17 Ca -0.10 -0.37 0.08 0.00 -0.39 0.00 0.00 57.03 56.26 1bwy h ASP 17 Cb 0.74 0.04 -0.10 0.00 0.68 0.00 0.00 39.33 40.69 1bwy h ASP 17 CO 0.16 0.34 -0.39 -0.67 -1.61 0.00 0.00 179.24 177.07 1bwy n ASP 18 N -4.94 -0.69 -0.15 2.28 2.03 -1.23 -0.33 116.55 113.52 1bwy n ASP 18 Ca -0.08 1.33 -0.05 0.00 0.52 0.00 0.00 54.79 56.50 1bwy n ASP 18 Cb 0.26 -0.22 0.04 0.00 -0.72 0.00 0.00 41.12 40.48 1bwy n ASP 18 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bwy h TYR 19 N 0.00 0.46 -0.01 -0.67 3.20 -1.03 -0.89 116.97 118.02 1bwy h TYR 19 Ca 0.17 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1bwy h TYR 19 Cb 0.36 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1bwy h TYR 19 CO -0.74 0.24 -0.44 0.00 -1.64 0.00 0.00 178.16 175.58 1bwy h MET 20 N 0.49 0.02 -3.24 1.82 -0.00 -1.08 -3.20 114.93 109.73 1bwy h MET 20 Ca 0.20 -0.01 -0.39 0.00 -0.00 0.00 0.00 59.70 59.50 1bwy h MET 20 Cb 0.09 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.70 1bwy h MET 20 CO -0.13 0.45 2.50 1.17 -0.00 0.00 0.00 176.91 180.91 1bwy n LYS 21 N -4.02 2.25 0.00 -0.10 4.81 0.55 -0.76 118.16 120.89 1bwy n LYS 21 Ca -0.02 -1.48 0.00 0.00 -0.87 0.00 0.00 58.31 55.94 1bwy n LYS 21 Cb 0.47 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1bwy n LYS 21 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bwy n SER 22 N 3.93 0.00 -0.05 3.14 7.64 -1.25 -4.91 113.62 122.12 1bwy n SER 22 Ca 0.48 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.25 1bwy n SER 22 Cb 0.20 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1bwy n SER 22 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1bwy h LEU 23 N 0.00 0.78 0.75 -3.43 3.38 -1.34 -3.47 115.31 111.98 1bwy h LEU 23 Ca 0.00 -0.37 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 1bwy h LEU 23 Cb 0.00 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.54 1bwy h LEU 23 CO 0.00 1.11 -0.28 0.61 0.09 0.00 0.00 178.44 179.97 1bwy n GLY 24 N 0.13 0.04 0.24 0.83 0.00 0.06 -4.92 105.19 101.57 1bwy n GLY 24 Ca -0.02 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.38 1.14 0.00 1.61 -1.51 -1.76 -3.42 116.25 111.93 1bwy h VAL 25 Ca -0.25 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1bwy h VAL 25 Cb 1.18 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1bwy h VAL 25 CO 0.28 0.19 0.00 0.61 -1.23 0.00 0.00 177.57 177.41 1bwy n GLY 26 N -1.04 -1.82 3.62 5.19 0.00 -1.26 -4.82 105.19 105.05 1bwy n GLY 26 Ca -0.01 0.79 -0.39 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 1.08 0.00 1.61 7.35 -1.26 -0.96 117.46 125.27 1bwy n PHE 27 Ca 0.00 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1bwy n PHE 27 Cb 0.00 -2.20 0.00 0.00 0.35 0.00 0.00 39.48 37.63 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bwy n ALA 28 N -1.08 0.00 -0.06 3.13 0.00 -1.26 -4.62 120.51 116.62 1bwy n ALA 28 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.48 1bwy n ALA 28 Cb 0.43 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.75 1.20 1.07 0.00 -1.04 -0.35 -4.48 114.28 108.92 1bwy n THR 29 Ca 0.00 0.22 0.02 0.00 -2.04 0.00 0.00 64.05 62.25 1bwy n THR 29 Cb 0.00 -2.11 0.14 0.00 -1.82 0.00 0.00 70.33 66.53 1bwy n THR 29 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1bwy n ARG 30 N -4.01 0.54 -0.09 -2.82 0.63 -0.14 -0.50 116.66 110.27 1bwy n ARG 30 Ca -0.10 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.73 1bwy n ARG 30 Cb 0.38 -1.13 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 1bwy n ARG 30 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1bwy h GLN 31 N 0.00 0.42 -0.37 -0.14 3.07 -1.81 -3.16 115.11 113.12 1bwy h GLN 31 Ca 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 58.65 58.62 1bwy h GLN 31 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.48 1bwy h GLN 31 CO 0.00 0.46 0.08 -0.24 0.09 0.00 0.00 178.83 179.22 1bwy h VAL 32 N 0.29 1.23 0.00 1.86 3.04 -1.06 -0.93 116.25 120.67 1bwy h VAL 32 Ca 0.09 -0.80 -0.05 0.00 -1.01 0.00 0.00 66.70 64.93 1bwy h VAL 32 Cb 0.21 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 1bwy h VAL 32 CO -0.01 0.27 -0.08 0.61 -1.01 0.00 0.00 177.57 177.36 1bwy n GLY 33 N -0.55 2.32 0.00 3.17 0.00 -1.21 -0.76 105.19 108.17 1bwy n GLY 33 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.90 0.00 -0.23 1.61 0.23 -1.14 -4.85 115.26 112.78 1bwy n ASN 34 Ca 0.11 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.18 1bwy n ASN 34 Cb 0.53 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.36 1bwy n ASN 34 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1bwy h MET 35 N 0.00 0.44 -6.08 -3.83 2.86 -0.89 -3.36 114.93 104.08 1bwy h MET 35 Ca 0.00 -0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.04 1bwy h MET 35 Cb 0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1bwy h MET 35 CO 0.00 0.29 1.40 0.99 1.06 0.00 0.00 176.91 180.65 1bwy s THR 36 N -6.07 3.23 -0.57 2.22 2.01 0.06 -4.84 115.64 111.68 1bwy s THR 36 Ca -0.13 0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1bwy s THR 36 Cb 0.18 -3.33 -0.16 0.00 0.01 0.00 0.00 72.50 69.20 1bwy s THR 36 CO 0.75 -0.23 1.83 1.17 -0.69 0.00 0.00 174.62 177.46 1bwy n LYS 37 N 8.66 0.00 -2.62 4.92 4.81 -1.26 -4.87 118.16 127.81 1bwy n LYS 37 Ca 0.27 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.28 1bwy n LYS 37 Cb 0.47 -1.14 -0.02 0.00 0.02 0.00 0.00 35.03 34.36 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1bwy s PRO 38 N 5.69 4.36 1.00 1.64 0.04 -1.26 -4.40 135.00 142.07 1bwy s PRO 38 Ca 0.97 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 63.30 1bwy s PRO 38 Cb -1.05 -3.58 0.23 0.00 0.04 0.00 0.00 34.50 30.14 1bwy s PRO 38 CO 0.44 -0.43 1.36 0.99 0.04 0.00 0.00 177.00 179.39 1bwy s THR 39 N 2.39 2.00 -0.40 1.26 2.01 -0.09 -2.11 115.64 120.69 1bwy s THR 39 Ca 0.49 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.54 1bwy s THR 39 Cb -0.19 -3.00 0.17 0.00 0.01 0.00 0.00 72.50 69.49 1bwy s THR 39 CO 0.16 0.00 0.48 -0.89 -0.69 0.00 0.00 174.62 173.68 1bwy s THR 40 N -3.96 -0.54 -0.03 -0.82 2.01 0.13 -4.46 115.64 107.96 1bwy s THR 40 Ca 0.77 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1bwy s THR 40 Cb -0.02 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1bwy s THR 40 CO 0.54 -0.40 1.03 -0.63 -0.69 0.00 0.00 174.62 174.46 1bwy s ILE 41 N 1.42 4.71 -0.30 1.82 1.01 -0.36 -0.52 121.20 128.97 1bwy s ILE 41 Ca 0.19 1.95 0.01 0.00 0.00 0.00 0.00 60.65 62.80 1bwy s ILE 41 Cb -0.10 -4.25 0.09 0.00 0.01 0.00 0.00 42.46 38.21 1bwy s ILE 41 CO -0.05 0.10 0.06 -0.63 0.00 0.00 0.00 174.94 174.42 1bwy s ILE 42 N 1.39 1.33 -0.28 2.92 1.01 0.06 -0.69 121.20 126.93 1bwy s ILE 42 Ca 0.52 -1.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 1bwy s ILE 42 Cb -0.21 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1bwy s ILE 42 CO 0.25 -0.56 0.05 -0.70 0.00 0.00 0.00 174.94 173.98 1bwy s GLU 43 N 1.40 3.12 -0.63 2.79 2.12 0.23 -0.71 118.70 127.02 1bwy s GLU 43 Ca 0.08 -0.83 -0.28 0.00 0.36 0.00 0.00 54.97 54.30 1bwy s GLU 43 Cb -0.18 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1bwy s GLU 43 CO -0.17 -0.40 1.30 0.08 -0.54 0.00 0.00 175.26 175.52 1bwy s VAL 44 N 1.49 3.84 -1.37 3.70 1.01 -1.26 -0.71 120.40 127.08 1bwy s VAL 44 Ca 0.03 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 1bwy s VAL 44 Cb -0.17 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 1bwy s VAL 44 CO 0.01 -1.46 2.45 -3.20 0.00 0.00 0.00 175.10 172.90 1bwy n ASN 45 N 9.19 5.66 0.00 3.32 5.15 0.17 -4.84 115.26 133.90 1bwy n ASN 45 Ca 0.08 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 1bwy n ASN 45 Cb 0.49 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 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 3.92 0.46 0.12 8.20 0.00 -1.26 -1.21 105.19 115.42 1bwy n GLY 46 Ca 0.61 0.64 -0.19 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 0.41 -2.09 1.61 2.03 -1.99 -3.48 116.42 112.91 1bwy h ASP 47 Ca 0.00 -0.70 -0.45 0.00 -0.73 0.00 0.00 57.03 55.15 1bwy h ASP 47 Cb 0.00 -0.13 0.05 0.00 -0.83 0.00 0.00 39.33 38.42 1bwy h ASP 47 CO 0.00 1.60 -0.03 0.42 -1.03 0.00 0.00 179.24 180.21 1bwy s THR 48 N -2.59 2.50 -0.18 1.15 -4.23 -0.35 -4.61 115.64 107.33 1bwy s THR 48 Ca -0.14 -0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 59.55 1bwy s THR 48 Cb 0.07 -2.78 0.06 0.00 1.34 0.00 0.00 72.50 71.19 1bwy s THR 48 CO 0.83 0.00 0.44 0.54 -0.54 0.00 0.00 174.62 175.89 1bwy s VAL 49 N -2.81 -0.02 -0.17 2.29 0.11 0.68 0.41 120.40 120.89 1bwy s VAL 49 Ca 0.60 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.66 1bwy s VAL 49 Cb -0.08 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1bwy s VAL 49 CO 0.39 0.03 0.06 -0.63 -3.33 0.00 0.00 175.10 171.63 1bwy s ILE 50 N 1.42 4.78 -0.14 7.04 1.01 0.11 -0.72 121.20 134.70 1bwy s ILE 50 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1bwy s ILE 50 Cb -0.08 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 1bwy s ILE 50 CO -0.13 0.49 -0.13 -0.51 0.00 0.00 0.00 174.94 174.65 1bwy s ILE 51 N 0.16 3.00 -0.04 2.92 2.07 0.15 -0.60 121.20 128.86 1bwy s ILE 51 Ca 0.05 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 58.63 1bwy s ILE 51 Cb -0.12 -2.27 0.02 0.00 0.13 0.00 0.00 42.46 40.22 1bwy s ILE 51 CO 0.01 0.51 -0.04 -1.59 -1.91 0.00 0.00 174.94 171.92 1bwy s LYS 52 N 0.54 0.70 0.14 3.50 -2.85 0.13 -0.77 119.74 121.13 1bwy s LYS 52 Ca -0.08 -0.10 0.08 0.00 -1.00 0.00 0.00 55.97 54.87 1bwy s LYS 52 Cb -0.16 -0.72 -0.18 0.00 -2.06 0.00 0.00 37.83 34.71 1bwy s LYS 52 CO 0.04 -0.05 1.30 1.15 0.10 0.00 0.00 175.35 177.88 1bwy h THR 53 N 5.99 1.64 -6.92 3.79 2.02 -1.66 -0.94 112.91 116.83 1bwy h THR 53 Ca -0.38 -3.31 -0.42 0.00 0.77 0.00 0.00 66.41 63.07 1bwy h THR 53 Cb 1.15 2.81 -0.05 0.00 -1.74 0.00 0.00 68.15 70.32 1bwy h THR 53 CO 0.48 0.93 -0.69 0.00 0.37 0.00 0.00 175.52 176.61 1bwy n GLN 54 N -3.34 -0.61 0.34 6.66 3.00 -1.26 -0.92 117.38 121.25 1bwy n GLN 54 Ca 0.00 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.78 1bwy n GLN 54 Cb 0.92 -1.70 -0.07 0.00 0.00 0.00 0.00 30.24 29.39 1bwy n GLN 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1bwy h SER 55 N -0.88 -0.77 -2.30 1.08 0.87 -1.87 -3.28 113.55 106.40 1bwy h SER 55 Ca -0.48 0.03 -0.65 0.00 -1.23 0.00 0.00 61.79 59.45 1bwy h SER 55 Cb 0.96 0.20 -0.38 0.00 -0.44 0.00 0.00 62.40 62.75 1bwy h SER 55 CO 0.40 -0.40 -0.16 0.41 -0.53 0.00 0.00 176.83 176.54 1bwy n THR 56 N -5.24 3.82 0.00 2.23 -1.04 -1.26 -4.75 114.28 108.04 1bwy n THR 56 Ca -0.11 -5.65 0.00 0.00 -2.04 0.00 0.00 64.05 56.25 1bwy n THR 56 Cb 0.36 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1bwy n THR 56 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1bwy n PHE 57 N 0.04 0.00 -3.33 -1.42 7.35 -1.25 -4.71 117.46 114.14 1bwy n PHE 57 Ca 0.34 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.86 1bwy n PHE 57 Cb 0.36 -0.24 -0.07 0.00 0.35 0.00 0.00 39.48 39.88 1bwy n PHE 57 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1bwy s LYS 58 N 0.00 0.70 -0.38 -4.13 2.20 -1.26 -4.81 119.74 112.06 1bwy s LYS 58 Ca 0.00 -1.03 0.13 0.00 -0.36 0.00 0.00 55.97 54.71 1bwy s LYS 58 Cb 0.00 -0.76 0.39 0.00 -1.51 0.00 0.00 37.83 35.95 1bwy s LYS 58 CO 0.00 -1.23 0.86 0.09 -0.36 0.00 0.00 175.35 174.71 1bwy n ASN 59 N 3.99 1.70 -1.39 1.43 5.03 -1.26 -4.84 115.26 119.92 1bwy n ASN 59 Ca 0.14 -3.03 0.18 0.00 0.87 0.00 0.00 54.58 52.74 1bwy n ASN 59 Cb 0.46 -0.57 -0.06 0.00 -1.02 0.00 0.00 39.78 38.59 1bwy n ASN 59 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1bwy n THR 60 N 0.05 0.00 -3.72 3.41 -2.24 -1.26 -3.88 114.28 106.64 1bwy n THR 60 Ca 0.21 0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1bwy n THR 60 Cb 0.69 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1bwy n THR 60 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1bwy s GLU 61 N -2.70 0.87 0.02 -0.78 -1.05 -1.26 -3.19 118.70 110.61 1bwy s GLU 61 Ca 0.00 -0.51 0.05 0.00 -0.15 0.00 0.00 54.97 54.36 1bwy s GLU 61 Cb 0.00 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.05 1bwy s GLU 61 CO 0.00 -0.29 -0.15 0.42 0.95 0.00 0.00 175.26 176.19 1bwy s ILE 62 N -2.73 1.19 -0.31 1.83 1.01 0.05 -4.82 121.20 117.43 1bwy s ILE 62 Ca -0.04 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1bwy s ILE 62 Cb -0.00 -1.03 0.15 0.00 0.01 0.00 0.00 42.46 41.58 1bwy s ILE 62 CO -0.04 0.17 0.36 -0.94 0.00 0.00 0.00 174.94 174.49 1bwy s SER 63 N -0.78 1.03 0.32 3.58 1.04 -1.26 -0.67 113.70 116.97 1bwy s SER 63 Ca 0.04 -0.80 0.05 0.00 0.48 0.00 0.00 55.95 55.72 1bwy s SER 63 Cb -0.07 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1bwy s SER 63 CO 0.00 -0.34 0.21 0.72 0.98 0.00 0.00 173.24 174.81 1bwy s PHE 64 N 2.22 1.66 -0.19 5.02 -0.71 0.10 -4.96 117.98 121.13 1bwy s PHE 64 Ca 0.11 -1.50 -0.07 0.00 -1.04 0.00 0.00 56.93 54.43 1bwy s PHE 64 Cb -0.13 -0.81 0.08 0.00 -1.21 0.00 0.00 43.02 40.95 1bwy s PHE 64 CO -0.25 -0.66 0.41 0.21 -1.34 0.00 0.00 175.22 173.59 1bwy s LYS 65 N -3.66 0.33 -0.41 1.99 2.36 -1.26 -0.23 119.74 118.87 1bwy s LYS 65 Ca 0.36 0.97 -0.27 0.00 -2.55 0.00 0.00 55.97 54.48 1bwy s LYS 65 Cb 0.03 0.23 -0.05 0.00 -1.05 0.00 0.00 37.83 37.00 1bwy s LYS 65 CO 0.21 -0.23 2.24 -0.48 1.55 0.00 0.00 175.35 178.64 1bwy s LEU 66 N 2.31 3.41 0.00 5.43 2.34 -1.26 -2.72 118.68 128.19 1bwy s LEU 66 Ca -0.03 1.25 0.00 0.00 0.06 0.00 0.00 54.13 55.40 1bwy s LEU 66 Cb -0.11 -2.89 0.00 0.00 -0.56 0.00 0.00 46.19 42.63 1bwy s LEU 66 CO -0.13 -2.46 0.00 0.61 -1.06 0.00 0.00 176.35 173.31 1bwy n GLY 67 N 5.85 0.99 3.20 -3.48 0.00 0.96 -4.88 105.19 107.83 1bwy n GLY 67 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.93 0.06 0.06 1.61 1.01 -1.10 -5.03 120.40 115.09 1bwy s VAL 68 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1bwy s VAL 68 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1bwy s VAL 68 CO 0.00 -0.30 -0.15 -1.83 0.00 0.00 0.00 175.10 172.82 1bwy s GLU 69 N -1.33 2.07 -0.00 2.72 4.04 -1.26 -1.77 118.70 123.18 1bwy s GLU 69 Ca -0.14 -1.00 -0.29 0.00 0.04 0.00 0.00 54.97 53.58 1bwy s GLU 69 Cb -0.06 -2.23 0.10 0.00 0.02 0.00 0.00 34.13 31.96 1bwy s GLU 69 CO 0.03 0.53 0.95 -0.59 -1.84 0.00 0.00 175.26 174.34 1bwy s PHE 70 N -1.03 -0.28 -0.36 4.83 -0.71 0.09 -4.98 117.98 115.53 1bwy s PHE 70 Ca 0.17 0.12 -0.29 0.00 -1.04 0.00 0.00 56.93 55.89 1bwy s PHE 70 Cb -0.11 0.55 0.01 0.00 -1.21 0.00 0.00 43.02 42.26 1bwy s PHE 70 CO 0.08 -0.54 1.30 0.34 -1.34 0.00 0.00 175.22 175.06 1bwy s ASP 71 N -2.54 6.57 -0.40 1.98 -1.08 -1.26 -0.78 116.67 119.15 1bwy s ASP 71 Ca 0.07 0.97 -0.14 0.00 -0.52 0.00 0.00 52.55 52.93 1bwy s ASP 71 Cb -0.01 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.93 1bwy s ASP 71 CO -0.07 -1.21 0.28 -0.70 0.52 0.00 0.00 175.17 174.00 1bwy s GLU 72 N 4.43 2.96 -0.20 4.34 2.12 0.62 -4.96 118.70 128.01 1bwy s GLU 72 Ca 0.56 -1.02 -0.02 0.00 0.36 0.00 0.00 54.97 54.85 1bwy s GLU 72 Cb -0.14 -3.93 -0.00 0.00 0.26 0.00 0.00 34.13 30.32 1bwy s GLU 72 CO 0.27 -0.73 -0.09 0.99 -0.54 0.00 0.00 175.26 175.16 1bwy s THR 73 N 1.66 3.09 -0.03 -1.70 2.01 -1.26 -0.78 115.64 118.63 1bwy s THR 73 Ca 0.04 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 1bwy s THR 73 Cb -0.19 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1bwy s THR 73 CO 0.09 0.46 0.18 0.28 -0.69 0.00 0.00 174.62 174.94 1bwy s THR 74 N 1.24 0.04 0.00 -0.82 -1.32 -0.13 -4.98 115.64 109.67 1bwy s THR 74 Ca 0.03 -0.37 -0.02 0.00 -1.21 0.00 0.00 61.69 60.11 1bwy s THR 74 Cb -0.14 -0.38 -0.10 0.00 -1.51 0.00 0.00 72.50 70.36 1bwy s THR 74 CO -0.03 -0.20 2.51 0.00 -2.21 0.00 0.00 174.62 174.69 1bwy n ALA 75 N 2.10 4.75 0.13 11.08 0.00 -1.26 -0.40 120.51 136.90 1bwy n ALA 75 Ca -0.18 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1bwy n ALA 75 Cb 0.57 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.94 -1.81 0.00 0.00 5.75 -1.26 -4.89 116.55 116.27 1bwy n ASP 76 Ca 0.16 0.49 0.14 0.00 -0.01 0.00 0.00 54.79 55.57 1bwy n ASP 76 Cb 0.63 1.85 0.80 0.00 -1.03 0.00 0.00 41.12 43.37 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 -3.11 0.00 0.00 -1.12 -0.08 -1.20 -4.35 116.55 106.69 1bwy n ASP 77 Ca 0.00 -1.12 0.00 0.00 -1.51 0.00 0.00 54.79 52.16 1bwy n ASP 77 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1bwy n ARG 78 N -0.93 0.00 -3.28 -0.67 1.74 0.47 -4.57 116.66 109.42 1bwy n ARG 78 Ca 0.20 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.89 1bwy n ARG 78 Cb 0.09 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.46 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bwy s LYS 79 N 0.00 4.19 -0.00 5.56 2.20 -1.26 -0.96 119.74 129.46 1bwy s LYS 79 Ca 0.00 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 1bwy s LYS 79 Cb 0.00 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1bwy s LYS 79 CO 0.00 -0.13 -0.03 0.14 -0.36 0.00 0.00 175.35 174.98 1bwy s VAL 80 N 1.56 0.22 0.04 4.02 -7.23 0.04 -4.79 120.40 114.27 1bwy s VAL 80 Ca 0.23 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 1bwy s VAL 80 Cb -0.15 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 1bwy s VAL 80 CO 0.09 0.07 1.01 -0.75 -0.31 0.00 0.00 175.10 175.21 1bwy s LYS 81 N 0.03 4.58 0.19 4.82 2.20 0.75 -0.28 119.74 132.03 1bwy s LYS 81 Ca 0.00 1.49 0.05 0.00 -0.36 0.00 0.00 55.97 57.15 1bwy s LYS 81 Cb -0.02 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1bwy s LYS 81 CO -0.00 -0.01 -0.08 -1.54 -0.36 0.00 0.00 175.35 173.36 1bwy s SER 82 N 0.72 1.97 0.01 1.43 1.04 0.04 -0.60 113.70 118.31 1bwy s SER 82 Ca 0.52 -1.08 0.05 0.00 0.48 0.00 0.00 55.95 55.91 1bwy s SER 82 Cb -0.23 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1bwy s SER 82 CO 0.29 -0.36 -0.14 -0.51 0.98 0.00 0.00 173.24 173.50 1bwy s ILE 83 N -3.29 1.11 0.04 -1.02 2.07 0.31 -0.74 121.20 119.69 1bwy s ILE 83 Ca 0.22 -0.77 0.07 0.00 -1.41 0.00 0.00 60.65 58.76 1bwy s ILE 83 Cb 0.03 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 1bwy s ILE 83 CO 0.04 0.18 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.37 1bwy s VAL 84 N -0.55 1.55 0.02 4.00 1.01 -0.73 -0.77 120.40 124.95 1bwy s VAL 84 Ca 0.04 -1.15 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 1bwy s VAL 84 Cb -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1bwy s VAL 84 CO 0.00 0.17 0.03 1.07 0.00 0.00 0.00 175.10 176.38 1bwy n THR 85 N 1.88 0.00 -3.93 3.92 5.66 -0.51 -0.03 114.28 121.27 1bwy n THR 85 Ca -0.17 -0.10 -0.21 0.00 -3.05 0.00 0.00 64.05 60.51 1bwy n THR 85 Cb 0.54 0.07 -0.17 0.00 -1.55 0.00 0.00 70.33 69.22 1bwy n THR 85 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1bwy s LEU 86 N 0.00 0.94 0.04 1.09 0.20 -1.26 -0.40 118.68 119.29 1bwy s LEU 86 Ca 0.02 -0.09 0.05 0.00 0.69 0.00 0.00 54.13 54.80 1bwy s LEU 86 Cb -0.00 -0.41 -0.02 0.00 -0.43 0.00 0.00 46.19 45.32 1bwy s LEU 86 CO 0.01 -0.13 -0.15 1.51 -0.29 0.00 0.00 176.35 177.30 1bwy s ASP 87 N 1.45 1.77 0.00 3.68 1.47 -0.09 -4.94 116.67 120.03 1bwy s ASP 87 Ca -0.03 -0.45 0.00 0.00 1.18 0.00 0.00 52.55 53.25 1bwy s ASP 87 Cb -0.13 -0.13 0.00 0.00 -0.34 0.00 0.00 42.92 42.32 1bwy s ASP 87 CO -0.03 0.06 0.00 0.61 0.68 0.00 0.00 175.17 176.49 1bwy n GLY 88 N 1.96 0.44 0.80 2.12 0.00 -1.26 -0.43 105.19 108.82 1bwy n GLY 88 Ca -0.18 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 0.56 3.13 -0.02 0.00 -1.26 -5.14 105.19 102.46 1bwy n GLY 89 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1bwy n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 90 N 0.00 1.63 -0.29 1.61 1.02 0.43 -4.79 119.74 119.35 1bwy s LYS 90 Ca 0.00 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.22 1bwy s LYS 90 Cb 0.00 -1.45 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1bwy s LYS 90 CO 0.00 0.26 0.54 -1.17 -0.92 0.00 0.00 175.35 174.05 1bwy s LEU 91 N -0.04 4.12 -0.21 3.17 0.20 0.39 -0.91 118.68 125.40 1bwy s LEU 91 Ca -0.02 0.41 -0.04 0.00 0.69 0.00 0.00 54.13 55.17 1bwy s LEU 91 Cb -0.10 -2.68 -0.01 0.00 -0.43 0.00 0.00 46.19 42.97 1bwy s LEU 91 CO 0.01 -0.36 -0.03 0.68 -0.29 0.00 0.00 176.35 176.37 1bwy s VAL 92 N 2.38 3.55 -0.23 1.68 -7.23 0.47 -0.33 120.40 120.69 1bwy s VAL 92 Ca 0.21 -0.44 -0.07 0.00 -1.81 0.00 0.00 61.98 59.88 1bwy s VAL 92 Cb -0.15 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1bwy s VAL 92 CO 0.10 0.42 0.07 -2.28 -0.31 0.00 0.00 175.10 173.10 1bwy s HIS 93 N 1.35 3.12 -0.10 2.82 2.46 0.15 -1.42 115.29 123.68 1bwy s HIS 93 Ca 0.04 -0.27 0.04 0.00 0.47 0.00 0.00 55.06 55.34 1bwy s HIS 93 Cb -0.14 -2.19 0.00 0.00 -0.13 0.00 0.00 32.58 30.12 1bwy s HIS 93 CO -0.01 -0.20 -0.22 0.08 -2.47 0.00 0.00 174.74 171.91 1bwy s VAL 94 N 1.23 1.92 -0.20 0.89 1.01 0.05 -0.31 120.40 124.99 1bwy s VAL 94 Ca 0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1bwy s VAL 94 Cb -0.14 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.67 1bwy s VAL 94 CO 0.03 0.53 0.30 -1.58 0.00 0.00 0.00 175.10 174.38 1bwy s GLN 95 N 0.42 0.25 0.21 2.72 0.74 0.00 -0.53 119.66 123.46 1bwy s GLN 95 Ca -0.18 0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.76 1bwy s GLN 95 Cb -0.18 -0.62 -0.05 0.00 1.10 0.00 0.00 33.01 33.26 1bwy s GLN 95 CO 0.08 -0.55 -0.04 -1.59 -0.55 0.00 0.00 175.29 172.64 1bwy s LYS 96 N 2.44 1.28 0.11 1.67 -2.85 0.23 -0.05 119.74 122.58 1bwy s LYS 96 Ca 0.07 -1.62 0.00 0.00 -1.00 0.00 0.00 55.97 53.42 1bwy s LYS 96 Cb -0.15 -0.68 0.00 0.00 -2.06 0.00 0.00 37.83 34.94 1bwy s LYS 96 CO -0.13 -0.03 0.00 -2.67 0.10 0.00 0.00 175.35 172.62 1bwy n TRP 97 N -0.37 -0.93 -3.60 1.78 2.14 -1.23 -0.18 117.44 115.06 1bwy n TRP 97 Ca -0.07 0.16 -0.14 0.00 2.07 0.00 0.00 57.50 59.53 1bwy n TRP 97 Cb 0.63 0.46 -0.07 0.00 -0.81 0.00 0.00 31.31 31.52 1bwy n TRP 97 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1bwy s ASN 98 N -4.57 -0.63 0.00 -0.67 4.22 -1.26 -4.90 114.94 107.12 1bwy s ASN 98 Ca 0.00 1.04 0.00 0.00 -2.14 0.00 0.00 52.86 51.76 1bwy s ASN 98 Cb 0.00 0.99 0.00 0.00 1.28 0.00 0.00 41.25 43.52 1bwy s ASN 98 CO 0.00 -0.34 0.00 0.61 -2.04 0.00 0.00 177.10 175.33 1bwy n GLY 99 N 1.92 1.40 3.63 0.45 0.00 -1.26 -4.85 105.19 106.48 1bwy n GLY 99 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1bwy n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bwy s GLN 100 N -0.11 0.95 -0.06 1.61 -2.07 -1.26 -5.16 119.66 113.56 1bwy s GLN 100 Ca 0.00 -0.45 -0.02 0.00 -1.82 0.00 0.00 55.36 53.07 1bwy s GLN 100 Cb 0.00 0.37 0.04 0.00 -1.09 0.00 0.00 33.01 32.33 1bwy s GLN 100 CO 0.00 -0.43 0.11 -2.00 -1.32 0.00 0.00 175.29 171.65 1bwy s GLU 101 N -3.13 0.02 0.43 9.60 2.12 -1.26 -3.52 118.70 122.96 1bwy s GLU 101 Ca 0.09 0.38 -0.14 0.00 0.36 0.00 0.00 54.97 55.66 1bwy s GLU 101 Cb -0.01 -0.28 -0.08 0.00 0.26 0.00 0.00 34.13 34.03 1bwy s GLU 101 CO -0.03 -0.23 0.86 0.95 -0.54 0.00 0.00 175.26 176.26 1bwy s THR 102 N 1.63 4.64 -0.04 -1.70 -4.23 0.92 -4.37 115.64 112.49 1bwy s THR 102 Ca -0.03 0.96 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 1bwy s THR 102 Cb -0.12 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 1bwy s THR 102 CO -0.05 -0.52 -0.21 -0.94 -0.54 0.00 0.00 174.62 172.36 1bwy s SER 103 N -2.91 2.59 -0.18 3.99 1.04 0.07 -0.82 113.70 117.47 1bwy s SER 103 Ca 0.55 -0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.53 1bwy s SER 103 Cb -0.10 -0.57 0.06 0.00 0.10 0.00 0.00 66.02 65.51 1bwy s SER 103 CO 0.28 0.22 0.06 -0.76 0.98 0.00 0.00 173.24 174.02 1bwy s LEU 104 N -0.21 0.77 -0.19 2.42 1.02 0.58 -0.48 118.68 122.59 1bwy s LEU 104 Ca 0.00 -0.71 -0.08 0.00 0.02 0.00 0.00 54.13 53.36 1bwy s LEU 104 Cb -0.11 -0.42 -0.04 0.00 0.02 0.00 0.00 46.19 45.63 1bwy s LEU 104 CO 0.02 -0.33 0.07 0.68 0.02 0.00 0.00 176.35 176.81 1bwy s VAL 105 N 2.00 4.87 -0.13 -1.59 -7.23 -0.03 -0.67 120.40 117.62 1bwy s VAL 105 Ca 0.01 -0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 1bwy s VAL 105 Cb -0.17 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.59 1bwy s VAL 105 CO -0.08 0.46 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.84 1bwy s ARG 106 N 0.38 2.68 -0.03 4.82 0.52 0.55 -0.85 118.95 127.02 1bwy s ARG 106 Ca 0.04 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 1bwy s ARG 106 Cb -0.12 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1bwy s ARG 106 CO -0.00 -0.05 0.12 -2.00 0.02 0.00 0.00 175.30 173.38 1bwy s GLU 107 N 0.93 0.28 -0.17 3.54 2.12 -0.11 -0.46 118.70 124.82 1bwy s GLU 107 Ca -0.06 -0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 1bwy s GLU 107 Cb -0.15 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.36 1bwy s GLU 107 CO -0.03 -0.05 -0.13 1.41 -0.54 0.00 0.00 175.26 175.92 1bwy s MET 108 N -0.55 3.24 0.41 4.30 -2.45 -1.26 0.38 119.30 123.37 1bwy s MET 108 Ca -0.06 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 53.70 1bwy s MET 108 Cb -0.04 -2.72 -0.02 0.00 1.25 0.00 0.00 34.83 33.30 1bwy s MET 108 CO 0.01 -0.06 0.16 1.33 1.05 0.00 0.00 175.02 177.50 1bwy n VAL 109 N 4.30 0.00 0.00 10.11 0.24 -1.20 -4.91 118.33 126.87 1bwy n VAL 109 Ca -0.19 -2.43 0.00 0.00 -2.04 0.00 0.00 64.34 59.68 1bwy n VAL 109 Cb 0.51 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.52 0.00 -1.34 -1.34 2.03 -1.26 -1.61 116.55 111.52 1bwy n ASP 110 Ca -0.05 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.29 1bwy n ASP 110 Cb 0.62 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.92 3.02 0.27 0.00 -1.26 -5.08 105.19 103.06 1bwy n GLY 111 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 1.86 -0.87 1.61 1.02 -0.63 -3.65 119.74 119.08 1bwy s LYS 112 Ca 0.28 -0.45 -0.23 0.00 0.02 0.00 0.00 55.97 55.60 1bwy s LYS 112 Cb 0.33 -1.59 0.07 0.00 -0.52 0.00 0.00 37.83 36.11 1bwy s LYS 112 CO -0.14 -0.03 1.25 -1.17 -0.92 0.00 0.00 175.35 174.33 1bwy s LEU 113 N 0.89 3.97 -0.34 3.17 0.20 0.11 -3.23 118.68 123.44 1bwy s LEU 113 Ca -0.10 -1.29 -0.29 0.00 0.69 0.00 0.00 54.13 53.14 1bwy s LEU 113 Cb -0.15 -2.50 -0.00 0.00 -0.43 0.00 0.00 46.19 43.11 1bwy s LEU 113 CO 0.01 -1.46 1.47 -0.63 -0.29 0.00 0.00 176.35 175.45 1bwy s ILE 114 N 4.42 3.87 -0.14 6.68 1.01 0.16 -0.58 121.20 136.62 1bwy s ILE 114 Ca 0.36 0.93 -0.06 0.00 0.00 0.00 0.00 60.65 61.87 1bwy s ILE 114 Cb -0.06 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1bwy s ILE 114 CO -0.01 -0.57 0.08 -0.22 0.00 0.00 0.00 174.94 174.22 1bwy s LEU 115 N 5.34 4.00 -0.10 2.97 2.96 -0.82 -0.94 118.68 132.08 1bwy s LEU 115 Ca 0.64 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1bwy s LEU 115 Cb -0.17 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1bwy s LEU 115 CO 0.30 0.30 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.63 1bwy s THR 116 N -0.37 1.16 -0.14 3.68 2.01 -0.03 -0.05 115.64 121.90 1bwy s THR 116 Ca 0.10 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1bwy s THR 116 Cb -0.12 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1bwy s THR 116 CO 0.02 0.38 -0.18 -1.48 -0.69 0.00 0.00 174.62 172.66 1bwy s LEU 117 N 1.24 2.33 -0.13 4.42 2.34 -0.24 -0.85 118.68 127.80 1bwy s LEU 117 Ca -0.03 -0.52 -0.00 0.00 0.06 0.00 0.00 54.13 53.64 1bwy s LEU 117 Cb -0.14 -1.51 0.03 0.00 -0.56 0.00 0.00 46.19 44.00 1bwy s LEU 117 CO -0.03 0.09 -0.08 -0.89 -1.06 0.00 0.00 176.35 174.37 1bwy s THR 118 N 0.76 1.13 0.32 5.48 2.01 0.37 -0.73 115.64 124.99 1bwy s THR 118 Ca -0.07 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1bwy s THR 118 Cb -0.16 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1bwy s THR 118 CO 0.00 0.35 0.49 -2.28 -0.69 0.00 0.00 174.62 172.48 1bwy s HIS 119 N 1.66 3.35 -1.02 4.92 5.04 0.00 -0.75 115.29 128.49 1bwy s HIS 119 Ca 0.04 0.08 -0.12 0.00 -1.54 0.00 0.00 55.06 53.53 1bwy s HIS 119 Cb -0.13 -1.87 -0.08 0.00 0.04 0.00 0.00 32.58 30.54 1bwy s HIS 119 CO -0.09 0.12 2.18 0.41 -2.34 0.00 0.00 174.74 175.02 1bwy n GLY 120 N -1.67 3.24 0.00 1.59 0.00 -1.26 -3.51 105.19 103.57 1bwy n GLY 120 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 4.72 0.00 -3.00 2.61 5.66 -1.26 -5.13 114.28 117.88 1bwy n THR 121 Ca 0.51 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 61.11 1bwy n THR 121 Cb 0.25 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.97 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 3.43 -0.07 1.79 0.00 -1.23 -5.06 121.76 120.62 1bwy s ALA 122 Ca 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1bwy s ALA 122 Cb 0.00 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.19 1bwy s ALA 122 CO 0.00 0.21 -0.02 0.08 0.00 0.00 0.00 175.76 176.03 1bwy s VAL 123 N -0.69 0.46 -0.18 0.00 1.01 -1.26 -0.82 120.40 118.92 1bwy s VAL 123 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 1bwy s VAL 123 Cb -0.22 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.65 1bwy s VAL 123 CO 0.24 0.25 0.02 0.00 0.00 0.00 0.00 175.10 175.61 1bwy s THR 125 N 1.81 2.48 -0.48 0.00 -4.23 -1.26 -1.07 115.64 112.88 1bwy s THR 125 Ca -0.01 0.24 0.07 0.00 -1.18 0.00 0.00 61.69 60.82 1bwy s THR 125 Cb -0.16 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 71.01 1bwy s THR 125 CO -0.07 -0.12 0.69 -0.60 -0.54 0.00 0.00 174.62 173.97 1bwy s ARG 126 N -3.84 0.98 -0.14 3.99 3.52 0.93 -3.52 118.95 120.88 1bwy s ARG 126 Ca 0.74 -0.80 -0.21 0.00 -0.13 0.00 0.00 55.73 55.32 1bwy s ARG 126 Cb -0.28 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.05 1bwy s ARG 126 CO 0.43 -1.28 0.64 -0.08 -0.81 0.00 0.00 175.30 174.20 1bwy s THR 127 N 1.20 5.05 -0.03 4.11 -1.32 -0.21 -1.95 115.64 122.49 1bwy s THR 127 Ca 0.25 1.26 -0.02 0.00 -1.21 0.00 0.00 61.69 61.97 1bwy s THR 127 Cb -0.02 -3.97 -0.04 0.00 -1.51 0.00 0.00 72.50 66.97 1bwy s THR 127 CO -0.06 0.19 0.11 -0.31 -2.21 0.00 0.00 174.62 172.35 1bwy s TYR 128 N 1.31 3.40 -0.07 9.09 2.02 0.25 -1.33 117.35 132.03 1bwy s TYR 128 Ca 0.32 0.30 0.05 0.00 -0.37 0.00 0.00 57.07 57.37 1bwy s TYR 128 Cb -0.16 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1bwy s TYR 128 CO 0.13 0.60 -0.24 -2.00 -1.57 0.00 0.00 175.55 172.47 1bwy s GLU 129 N -1.62 2.71 0.40 -0.62 2.12 0.52 0.05 118.70 122.26 1bwy s GLU 129 Ca 0.22 -0.89 -0.27 0.00 0.36 0.00 0.00 54.97 54.39 1bwy s GLU 129 Cb -0.12 -2.21 -0.10 0.00 0.26 0.00 0.00 34.13 31.96 1bwy s GLU 129 CO 0.13 0.32 1.41 1.17 -0.54 0.00 0.00 175.26 177.75 1bwy n LYS 130 N 3.12 2.36 0.12 4.30 4.81 -1.24 -0.27 118.16 131.35 1bwy n LYS 130 Ca -0.18 0.83 -0.02 0.00 -0.87 0.00 0.00 58.31 58.07 1bwy n LYS 130 Cb 0.52 -2.57 0.18 0.00 0.02 0.00 0.00 35.03 33.18 1bwy n LYS 130 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1bwy h GLN 131 N 2.55 0.11 0.00 1.64 1.08 -1.22 -3.44 115.11 115.83 1bwy h GLN 131 Ca -0.50 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.63 1bwy h GLN 131 Cb 1.26 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1bwy h GLN 131 CO 0.62 0.65 0.00 0.00 -0.95 0.00 0.00 178.83 179.15