#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwy h ASP 2 N 0.00 0.61 0.49 6.55 5.19 -2.03 0.19 116.42 127.43 1bwy h ASP 2 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1bwy h ASP 2 Cb 0.00 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1bwy h ASP 2 CO 0.00 0.23 0.00 0.00 -3.12 0.00 0.00 179.24 176.35 1bwy h ALA 3 N 1.62 1.00 0.00 3.45 0.00 -2.02 -3.34 119.26 119.97 1bwy h ALA 3 Ca 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1bwy h ALA 3 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1bwy h ALA 3 CO -0.28 0.00 -0.66 1.19 0.00 0.00 0.00 179.25 179.49 1bwy n PHE 4 N -2.53 0.00 -1.47 0.00 3.72 0.21 -4.40 117.46 112.99 1bwy n PHE 4 Ca 0.00 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.91 1bwy n PHE 4 Cb 0.17 -0.04 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 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 -3.25 0.20 -0.77 -4.37 0.31 0.42 -4.37 118.33 106.49 1bwy n VAL 5 Ca -0.02 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1bwy n VAL 5 Cb 0.32 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 6 N 6.41 -1.43 3.72 2.92 0.00 0.25 -4.88 105.19 112.19 1bwy n GLY 6 Ca 0.40 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.97 5.17 0.01 2.61 2.01 -1.26 -0.89 115.64 121.31 1bwy s THR 7 Ca 0.00 1.03 0.06 0.00 0.31 0.00 0.00 61.69 63.09 1bwy s THR 7 Cb 0.00 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 1bwy s THR 7 CO 0.00 0.31 -0.18 0.26 -0.69 0.00 0.00 174.62 174.32 1bwy s TRP 8 N 0.68 1.58 -0.06 4.92 0.52 0.43 -0.57 118.94 126.44 1bwy s TRP 8 Ca 0.28 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.08 1bwy s TRP 8 Cb -0.15 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 1bwy s TRP 8 CO 0.11 0.01 -0.06 0.21 0.02 0.00 0.00 176.95 177.25 1bwy s LYS 9 N -0.73 2.73 -0.16 4.98 2.20 0.33 -0.26 119.74 128.83 1bwy s LYS 9 Ca 0.06 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1bwy s LYS 9 Cb -0.07 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.63 1bwy s LYS 9 CO 0.00 0.66 1.51 -1.17 -0.36 0.00 0.00 175.35 175.99 1bwy s LEU 10 N -0.93 4.09 -0.35 5.43 0.20 -0.13 -1.24 118.68 125.76 1bwy s LEU 10 Ca 0.13 1.79 0.15 0.00 0.69 0.00 0.00 54.13 56.89 1bwy s LEU 10 Cb -0.11 -3.53 0.41 0.00 -0.43 0.00 0.00 46.19 42.53 1bwy s LEU 10 CO 0.03 -1.02 0.90 0.55 -0.29 0.00 0.00 176.35 176.52 1bwy n VAL 11 N 5.85 0.49 0.00 1.68 3.14 -1.25 -4.55 118.33 123.69 1bwy n VAL 11 Ca 0.17 -3.46 0.00 0.00 -2.96 0.00 0.00 64.34 58.09 1bwy n VAL 11 Cb 0.44 0.39 0.00 0.00 -1.06 0.00 0.00 33.84 33.61 1bwy n VAL 11 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bwy n ASP 12 N 0.05 0.00 0.00 6.55 2.03 -1.25 -4.84 116.55 119.08 1bwy n ASP 12 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1bwy n ASP 12 Cb 0.76 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1bwy n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1bwy n SER 13 N 0.00 0.00 -4.80 1.67 2.88 -1.26 -4.19 113.62 107.91 1bwy n SER 13 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1bwy n SER 13 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1bwy n SER 13 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bwy s LYS 14 N -0.57 2.87 -1.23 -1.46 2.47 -1.05 -4.86 119.74 115.91 1bwy s LYS 14 Ca 0.00 -1.05 -0.02 0.00 -1.56 0.00 0.00 55.97 53.34 1bwy s LYS 14 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 37.83 33.83 1bwy s LYS 14 CO 0.00 0.41 1.03 0.09 0.16 0.00 0.00 175.35 177.04 1bwy n ASN 15 N -1.00 -2.83 0.33 1.43 3.02 -1.26 -4.39 115.26 110.55 1bwy n ASN 15 Ca -0.08 -0.60 -0.17 0.00 -0.03 0.00 0.00 54.58 53.70 1bwy n ASN 15 Cb 0.57 -5.10 -0.09 0.00 -0.61 0.00 0.00 39.78 34.56 1bwy n ASN 15 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1bwy h PHE 16 N -2.04 -0.75 0.00 3.10 -1.00 -1.92 -3.22 116.94 111.11 1bwy h PHE 16 Ca -0.58 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.10 1bwy h PHE 16 Cb 1.34 0.25 -0.01 0.00 3.61 0.00 0.00 35.95 41.14 1bwy h PHE 16 CO 0.45 -0.43 -0.66 -0.44 -1.61 0.00 0.00 178.31 175.61 1bwy h ASP 17 N -0.90 0.00 -0.53 2.17 3.32 -1.93 -2.94 116.42 115.61 1bwy h ASP 17 Ca -0.08 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.02 1bwy h ASP 17 Cb 0.65 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.12 1bwy h ASP 17 CO 0.14 0.34 -0.53 -0.78 -1.72 0.00 0.00 179.24 176.68 1bwy h ASP 18 N 0.00 -1.83 -0.22 6.45 3.58 -1.94 0.22 116.42 122.67 1bwy h ASP 18 Ca -0.04 0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.72 1bwy h ASP 18 Cb 1.29 0.77 -0.05 0.00 1.72 0.00 0.00 39.33 43.06 1bwy h ASP 18 CO 0.04 -0.33 -0.10 0.22 -2.88 0.00 0.00 179.24 176.18 1bwy h TYR 19 N -0.27 -0.23 -0.67 0.28 3.20 -1.52 -0.66 116.97 117.10 1bwy h TYR 19 Ca 0.09 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.12 1bwy h TYR 19 Cb 0.51 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 38.81 1bwy h TYR 19 CO -0.80 -0.16 0.08 1.98 -1.64 0.00 0.00 178.16 177.62 1bwy h MET 20 N -0.07 0.18 -2.91 1.82 1.85 -1.38 -0.31 114.93 114.10 1bwy h MET 20 Ca 0.12 -0.01 -0.33 0.00 -0.61 0.00 0.00 59.70 58.87 1bwy h MET 20 Cb 0.25 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 1bwy h MET 20 CO -0.27 0.12 1.74 1.17 -0.40 0.00 0.00 176.91 179.26 1bwy n LYS 21 N -5.23 2.08 0.00 0.39 4.81 0.04 -0.69 118.16 119.56 1bwy n LYS 21 Ca 0.11 -1.27 0.00 0.00 -0.87 0.00 0.00 58.31 56.28 1bwy n LYS 21 Cb 0.40 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.18 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 3.48 0.00 -0.19 3.14 7.64 -1.15 -4.95 113.62 121.59 1bwy n SER 22 Ca 0.44 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.25 1bwy n SER 22 Cb 0.35 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.96 0.80 -3.43 -0.00 -0.80 -3.47 115.31 109.37 1bwy h LEU 23 Ca 0.00 -0.24 -0.28 0.00 -0.00 0.00 0.00 57.88 57.36 1bwy h LEU 23 Cb 0.00 -0.26 0.03 0.00 -0.00 0.00 0.00 40.66 40.44 1bwy h LEU 23 CO 0.00 0.99 -0.40 0.61 -0.00 0.00 0.00 178.44 179.64 1bwy n GLY 24 N -0.55 -0.15 0.29 0.83 0.00 0.13 -4.91 105.19 100.82 1bwy n GLY 24 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.77 1.15 0.00 1.61 -1.51 -1.75 -3.45 116.25 111.53 1bwy h VAL 25 Ca -0.36 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 1bwy h VAL 25 Cb 1.25 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1bwy h VAL 25 CO 0.39 0.18 0.00 0.61 -1.23 0.00 0.00 177.57 177.53 1bwy n GLY 26 N -1.19 0.67 0.46 5.19 0.00 -1.26 -4.84 105.19 104.22 1bwy n GLY 26 Ca 0.02 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.40 1bwy n GLY 26 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1bwy h PHE 27 N 0.00 -1.55 0.47 1.61 3.57 -1.90 -0.30 116.94 118.84 1bwy h PHE 27 Ca 0.00 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1bwy h PHE 27 Cb 0.00 0.69 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1bwy h PHE 27 CO 0.00 -0.54 -0.23 0.00 -2.23 0.00 0.00 178.31 175.31 1bwy h ALA 28 N -0.23 -0.63 -0.79 2.41 0.00 -2.02 -3.34 119.26 114.66 1bwy h ALA 28 Ca 0.04 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1bwy h ALA 28 Cb 0.68 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1bwy h ALA 28 CO -0.42 -0.75 -0.01 1.15 0.00 0.00 0.00 179.25 179.22 1bwy h THR 29 N -0.83 0.29 -0.20 0.00 2.02 -1.86 0.35 112.91 112.69 1bwy h THR 29 Ca -0.06 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1bwy h THR 29 Cb 0.57 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1bwy h THR 29 CO 0.11 0.02 0.07 -0.09 0.37 0.00 0.00 175.52 175.99 1bwy h ARG 30 N 0.09 0.27 0.47 6.66 9.65 -1.17 0.17 114.38 130.51 1bwy h ARG 30 Ca 0.43 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.27 1bwy h ARG 30 Cb 0.78 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1bwy h ARG 30 CO -0.71 0.23 -0.22 1.96 2.80 0.00 0.00 179.97 184.03 1bwy h GLN 31 N 0.27 -0.60 -0.28 0.20 4.20 -1.07 -1.30 115.11 116.53 1bwy h GLN 31 Ca 0.07 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1bwy h GLN 31 Cb 0.07 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1bwy h GLN 31 CO -0.01 -0.32 0.14 -0.24 -0.67 0.00 0.00 178.83 177.74 1bwy h VAL 32 N -0.84 1.14 0.00 -0.54 3.04 -1.64 -2.85 116.25 114.56 1bwy h VAL 32 Ca -0.06 -0.39 -0.07 0.00 -1.01 0.00 0.00 66.70 65.17 1bwy h VAL 32 Cb 0.57 0.89 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 1bwy h VAL 32 CO 0.11 0.14 -0.07 0.61 -1.01 0.00 0.00 177.57 177.35 1bwy n GLY 33 N -0.89 2.17 0.40 3.17 0.00 0.60 -0.70 105.19 109.93 1bwy n GLY 33 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1bwy n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bwy n ASN 34 N 2.17 0.00 -0.05 1.61 0.23 -0.54 -4.70 115.26 113.99 1bwy n ASN 34 Ca 0.16 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.23 1bwy n ASN 34 Cb 0.51 0.09 0.35 0.00 -2.08 0.00 0.00 39.78 38.65 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 0.64 -0.74 -3.83 2.86 -1.24 -3.22 114.93 109.40 1bwy h MET 35 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1bwy h MET 35 Cb 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1bwy h MET 35 CO 0.00 0.48 0.00 -2.37 1.06 0.00 0.00 176.91 176.08 1bwy n THR 36 N -4.41 0.12 -3.77 2.22 5.66 0.12 -4.84 114.28 109.39 1bwy n THR 36 Ca 0.04 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.76 1bwy n THR 36 Cb 0.11 -0.37 0.01 0.00 -1.55 0.00 0.00 70.33 68.52 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 0.38 -0.76 -1.16 1.09 0.00 -1.22 -4.82 118.16 111.67 1bwy n LYS 37 Ca 0.00 0.21 -0.33 0.00 -0.00 0.00 0.00 58.31 58.20 1bwy n LYS 37 Cb 0.15 -1.64 0.12 0.00 -0.00 0.00 0.00 35.03 33.66 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1bwy s PRO 38 N -5.68 1.77 0.30 -1.58 0.04 -1.26 -4.63 135.00 123.96 1bwy s PRO 38 Ca 0.20 1.60 0.11 0.00 0.04 0.00 0.00 61.00 62.96 1bwy s PRO 38 Cb -0.11 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1bwy s PRO 38 CO 0.71 -2.08 -0.15 0.95 0.04 0.00 0.00 177.00 176.47 1bwy s THR 39 N -2.35 2.50 0.05 1.26 -4.23 -1.01 -0.96 115.64 110.91 1bwy s THR 39 Ca 0.70 -2.31 -0.13 0.00 -1.18 0.00 0.00 61.69 58.77 1bwy s THR 39 Cb -0.25 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.17 1bwy s THR 39 CO 0.51 -0.35 0.28 -0.89 -0.54 0.00 0.00 174.62 173.63 1bwy s THR 40 N -2.52 0.09 0.08 3.99 2.01 0.64 -1.01 115.64 118.92 1bwy s THR 40 Ca 0.31 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1bwy s THR 40 Cb -0.03 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1bwy s THR 40 CO 0.16 -0.41 -0.19 0.27 -0.69 0.00 0.00 174.62 173.75 1bwy s ILE 41 N -2.70 2.72 -0.11 1.82 -4.36 -1.25 -0.43 121.20 116.89 1bwy s ILE 41 Ca -0.04 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1bwy s ILE 41 Cb -0.00 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.54 1bwy s ILE 41 CO -0.04 0.22 -0.09 -0.63 0.24 0.00 0.00 174.94 174.64 1bwy s ILE 42 N -1.02 1.13 -0.17 8.37 1.01 -0.07 -2.66 121.20 127.79 1bwy s ILE 42 Ca 0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 1bwy s ILE 42 Cb -0.10 -1.12 0.06 0.00 0.01 0.00 0.00 42.46 41.31 1bwy s ILE 42 CO 0.07 0.38 0.06 -1.61 0.00 0.00 0.00 174.94 173.84 1bwy s GLU 43 N 1.54 0.38 -0.75 2.79 2.02 -0.22 -0.58 118.70 123.88 1bwy s GLU 43 Ca 0.03 -0.23 -0.26 0.00 0.02 0.00 0.00 54.97 54.53 1bwy s GLU 43 Cb -0.13 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 1bwy s GLU 43 CO -0.07 -0.63 1.88 0.08 0.02 0.00 0.00 175.26 176.54 1bwy s VAL 44 N 1.99 3.41 -1.40 2.63 1.01 -1.26 -1.41 120.40 125.38 1bwy s VAL 44 Ca 0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1bwy s VAL 44 Cb -0.16 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1bwy s VAL 44 CO -0.08 -0.97 2.65 0.59 0.00 0.00 0.00 175.10 177.29 1bwy n ASN 45 N 13.14 7.17 0.00 3.32 3.02 0.20 -4.84 115.26 137.27 1bwy n ASN 45 Ca 0.29 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 1bwy n ASN 45 Cb 0.50 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bwy n GLY 46 N 3.70 0.88 0.12 7.41 0.00 -1.26 -2.18 105.19 113.86 1bwy n GLY 46 Ca 0.67 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.99 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 0.47 -3.47 1.61 2.03 -1.98 -3.48 116.42 111.60 1bwy h ASP 47 Ca 0.00 -0.90 -0.48 0.00 -0.73 0.00 0.00 57.03 54.92 1bwy h ASP 47 Cb 0.00 -0.15 0.04 0.00 -0.83 0.00 0.00 39.33 38.39 1bwy h ASP 47 CO 0.00 1.56 0.10 0.42 -1.03 0.00 0.00 179.24 180.28 1bwy s THR 48 N -2.48 4.40 -0.14 1.15 -4.23 -0.93 -3.56 115.64 109.86 1bwy s THR 48 Ca -0.16 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1bwy s THR 48 Cb 0.03 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.21 1bwy s THR 48 CO 0.81 -0.65 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.45 1bwy s VAL 49 N -2.78 1.27 -0.05 2.29 1.01 0.14 0.61 120.40 122.89 1bwy s VAL 49 Ca 0.49 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1bwy s VAL 49 Cb -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1bwy s VAL 49 CO 0.44 0.35 0.41 -0.51 0.00 0.00 0.00 175.10 175.78 1bwy s ILE 50 N 1.60 5.11 0.04 2.22 2.07 -0.50 -1.52 121.20 130.22 1bwy s ILE 50 Ca 0.04 0.82 0.03 0.00 -1.41 0.00 0.00 60.65 60.13 1bwy s ILE 50 Cb -0.13 -3.72 -0.02 0.00 0.13 0.00 0.00 42.46 38.71 1bwy s ILE 50 CO -0.09 0.50 -0.09 -0.51 -1.91 0.00 0.00 174.94 172.84 1bwy s ILE 51 N -0.49 0.62 0.00 2.00 2.07 0.06 -1.06 121.20 124.39 1bwy s ILE 51 Ca 0.23 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.40 1bwy s ILE 51 Cb -0.16 -0.67 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 1bwy s ILE 51 CO 0.11 -0.33 -0.02 -1.59 -1.91 0.00 0.00 174.94 171.20 1bwy s LYS 52 N -1.53 0.14 -0.68 3.50 0.00 -1.09 -0.28 119.74 119.79 1bwy s LYS 52 Ca -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 55.97 55.77 1bwy s LYS 52 Cb -0.10 -0.10 0.41 0.00 0.00 0.00 0.00 37.83 38.05 1bwy s LYS 52 CO 0.01 0.02 1.88 0.25 0.00 0.00 0.00 175.35 177.51 1bwy n THR 53 N 2.89 3.42 -1.63 3.79 -2.24 -0.95 -3.81 114.28 115.75 1bwy n THR 53 Ca -0.13 -3.72 -0.48 0.00 -2.27 0.00 0.00 64.05 57.45 1bwy n THR 53 Cb 0.59 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 1bwy n THR 53 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1bwy n GLN 54 N -0.72 1.97 -1.67 -0.78 7.27 -0.18 -4.55 117.38 118.72 1bwy n GLN 54 Ca 0.56 0.68 -0.05 0.00 0.07 0.00 0.00 57.00 58.26 1bwy n GLN 54 Cb 0.53 -2.70 0.01 0.00 2.41 0.00 0.00 30.24 30.49 1bwy n GLN 54 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1bwy n SER 55 N 7.92 0.79 0.13 1.69 2.88 -1.13 -2.42 113.62 123.49 1bwy n SER 55 Ca 0.27 -1.41 0.16 0.00 -1.33 0.00 0.00 58.87 56.56 1bwy n SER 55 Cb 0.31 -0.08 0.71 0.00 -0.75 0.00 0.00 64.21 64.40 1bwy n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwy h THR 56 N 0.17 0.74 -1.44 2.46 1.03 -1.89 -1.71 112.91 112.27 1bwy h THR 56 Ca -0.07 0.00 -0.49 0.00 -0.01 0.00 0.00 66.41 65.83 1bwy h THR 56 Cb 0.31 0.84 -0.41 0.00 -1.07 0.00 0.00 68.15 67.82 1bwy h THR 56 CO 0.11 0.00 -0.94 2.22 -0.01 0.00 0.00 175.52 176.90 1bwy n PHE 57 N -4.27 2.35 -0.83 0.00 1.16 -1.26 -5.09 117.46 109.52 1bwy n PHE 57 Ca 0.04 -3.14 0.11 0.00 -1.87 0.00 0.00 57.45 52.59 1bwy n PHE 57 Cb 0.39 -0.26 -0.04 0.00 -1.61 0.00 0.00 39.48 37.96 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1bwy n LYS 58 N -0.23 -1.76 -2.40 3.97 4.81 -0.64 -5.07 118.16 116.84 1bwy n LYS 58 Ca 0.26 1.26 -0.05 0.00 -0.87 0.00 0.00 58.31 58.91 1bwy n LYS 58 Cb 0.69 -2.11 -0.00 0.00 0.02 0.00 0.00 35.03 33.63 1bwy n LYS 58 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1bwy n ASN 59 N -3.31 -0.68 -4.65 3.14 2.85 -1.26 -2.83 115.26 108.53 1bwy n ASN 59 Ca -0.01 -1.73 -0.30 0.00 -0.11 0.00 0.00 54.58 52.43 1bwy n ASN 59 Cb 0.38 1.20 0.18 0.00 1.24 0.00 0.00 39.78 42.78 1bwy n ASN 59 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1bwy s THR 60 N -2.61 2.36 -0.05 -0.44 -4.23 -1.26 -4.74 115.64 104.67 1bwy s THR 60 Ca 0.10 0.12 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 1bwy s THR 60 Cb -0.01 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 1bwy s THR 60 CO 0.07 -0.15 -0.23 -1.83 -0.54 0.00 0.00 174.62 171.94 1bwy s GLU 61 N -4.73 2.26 0.04 3.99 1.03 -1.26 -2.24 118.70 117.79 1bwy s GLU 61 Ca 0.66 -0.83 0.04 0.00 0.03 0.00 0.00 54.97 54.87 1bwy s GLU 61 Cb -0.21 -1.97 -0.02 0.00 -0.80 0.00 0.00 34.13 31.13 1bwy s GLU 61 CO 0.59 0.37 -0.12 0.42 -1.33 0.00 0.00 175.26 175.20 1bwy s ILE 62 N -0.19 0.90 -0.36 1.83 1.01 0.61 -4.99 121.20 120.01 1bwy s ILE 62 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1bwy s ILE 62 Cb -0.12 -0.85 0.15 0.00 0.01 0.00 0.00 42.46 41.65 1bwy s ILE 62 CO 0.03 -0.10 0.34 -0.94 0.00 0.00 0.00 174.94 174.26 1bwy s SER 63 N -1.20 1.55 0.30 3.58 1.04 -1.26 -0.76 113.70 116.94 1bwy s SER 63 Ca -0.02 -1.61 0.11 0.00 0.48 0.00 0.00 55.95 54.91 1bwy s SER 63 Cb -0.08 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 1bwy s SER 63 CO 0.01 -0.28 -0.11 0.72 0.98 0.00 0.00 173.24 174.56 1bwy s PHE 64 N 1.46 2.43 -0.08 5.02 -0.12 -0.57 -4.92 117.98 121.19 1bwy s PHE 64 Ca 0.16 -0.37 0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1bwy s PHE 64 Cb -0.16 -1.19 0.00 0.00 -0.63 0.00 0.00 43.02 41.04 1bwy s PHE 64 CO -0.06 0.63 -0.19 -1.59 -0.05 0.00 0.00 175.22 173.96 1bwy s LYS 65 N -3.59 2.50 -1.61 1.99 0.00 -1.26 0.29 119.74 118.05 1bwy s LYS 65 Ca 0.32 -0.70 -0.10 0.00 0.00 0.00 0.00 55.97 55.49 1bwy s LYS 65 Cb -0.03 -1.94 -0.07 0.00 0.00 0.00 0.00 37.83 35.79 1bwy s LYS 65 CO 0.17 0.13 2.91 1.47 0.00 0.00 0.00 175.35 180.02 1bwy n LEU 66 N 3.62 8.66 0.00 2.77 -0.00 -1.23 -3.46 117.00 127.36 1bwy n LEU 66 Ca -0.20 -4.38 0.00 0.00 -0.00 0.00 0.00 56.01 51.42 1bwy n LEU 66 Cb 0.52 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 1bwy n LEU 66 CO 0.27 2.03 0.00 0.61 -0.00 0.00 0.00 177.39 180.30 1bwy n GLY 67 N 3.51 0.00 3.57 1.47 0.00 -0.00 -4.35 105.19 109.39 1bwy n GLY 67 Ca 0.77 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.73 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 0.07 1.61 0.11 0.09 -4.98 120.40 117.30 1bwy s VAL 68 Ca 0.00 -0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.07 1bwy s VAL 68 Cb 0.00 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1bwy s VAL 68 CO 0.00 0.00 -0.10 -1.83 -3.33 0.00 0.00 175.10 169.84 1bwy s GLU 69 N -2.73 2.22 0.02 1.54 -1.05 -1.26 -0.75 118.70 116.69 1bwy s GLU 69 Ca 0.08 -0.95 -0.28 0.00 -0.15 0.00 0.00 54.97 53.67 1bwy s GLU 69 Cb -0.01 -2.33 0.10 0.00 -0.44 0.00 0.00 34.13 31.44 1bwy s GLU 69 CO -0.06 0.53 0.88 -0.59 0.95 0.00 0.00 175.26 176.98 1bwy s PHE 70 N -1.12 -0.33 0.15 4.83 -0.71 -1.17 -4.98 117.98 114.64 1bwy s PHE 70 Ca 0.19 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 55.95 1bwy s PHE 70 Cb -0.11 0.55 -0.07 0.00 -1.21 0.00 0.00 43.02 42.18 1bwy s PHE 70 CO 0.11 -0.60 1.21 0.34 -1.34 0.00 0.00 175.22 174.94 1bwy s ASP 71 N -2.56 7.07 -0.09 1.98 -1.08 -1.26 -0.59 116.67 120.14 1bwy s ASP 71 Ca 0.06 2.18 0.03 0.00 -0.52 0.00 0.00 52.55 54.29 1bwy s ASP 71 Cb -0.01 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 38.86 1bwy s ASP 71 CO -0.08 -0.42 -0.18 -0.70 0.52 0.00 0.00 175.17 174.32 1bwy s GLU 72 N 0.22 2.38 -0.26 4.34 2.12 0.61 -4.88 118.70 123.23 1bwy s GLU 72 Ca 0.55 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 55.25 1bwy s GLU 72 Cb -0.32 -1.88 0.07 0.00 0.26 0.00 0.00 34.13 32.25 1bwy s GLU 72 CO 0.34 0.07 -0.04 0.99 -0.54 0.00 0.00 175.26 176.08 1bwy s THR 73 N 0.60 1.65 -0.02 -1.70 2.01 -1.26 -0.70 115.64 116.22 1bwy s THR 73 Ca -0.15 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.47 1bwy s THR 73 Cb -0.16 -1.95 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 1bwy s THR 73 CO 0.05 -0.19 -0.09 0.28 -0.69 0.00 0.00 174.62 173.98 1bwy s THR 74 N 1.32 0.76 0.00 -0.82 -1.32 0.04 -4.97 115.64 110.65 1bwy s THR 74 Ca -0.03 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1bwy s THR 74 Cb -0.19 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1bwy s THR 74 CO -0.08 0.23 1.68 0.00 -2.21 0.00 0.00 174.62 174.24 1bwy n ALA 75 N 3.12 3.59 0.08 11.08 0.00 -1.26 0.05 120.51 137.18 1bwy n ALA 75 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1bwy n ALA 75 Cb 0.55 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.58 -0.64 -0.25 0.00 5.75 -1.26 -4.87 116.55 116.85 1bwy n ASP 76 Ca 0.00 0.28 0.13 0.00 -0.01 0.00 0.00 54.79 55.19 1bwy n ASP 76 Cb 0.42 0.75 0.61 0.00 -1.03 0.00 0.00 41.12 41.87 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 -2.94 0.78 0.00 -1.12 -0.08 -1.17 -4.30 116.55 107.73 1bwy n ASP 77 Ca 0.00 -1.39 0.00 0.00 -1.51 0.00 0.00 54.79 51.89 1bwy n ASP 77 Cb 0.00 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.44 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 -0.34 0.00 -3.53 -0.67 3.00 0.11 -4.66 116.66 110.57 1bwy n ARG 78 Ca 0.18 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.64 1bwy n ARG 78 Cb 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.57 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1bwy s LYS 79 N 0.00 3.85 -0.01 5.56 2.20 -1.26 -0.78 119.74 129.30 1bwy s LYS 79 Ca 0.00 -0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.26 1bwy s LYS 79 Cb 0.00 -3.70 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1bwy s LYS 79 CO 0.00 -0.27 0.06 0.14 -0.36 0.00 0.00 175.35 174.92 1bwy s VAL 80 N 1.82 0.05 0.05 4.02 -7.23 0.12 -4.65 120.40 114.59 1bwy s VAL 80 Ca 0.09 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.54 1bwy s VAL 80 Cb -0.16 -0.22 -0.06 0.00 0.56 0.00 0.00 36.38 36.49 1bwy s VAL 80 CO 0.11 -0.22 1.36 -0.54 -0.31 0.00 0.00 175.10 175.49 1bwy s LYS 81 N -0.69 4.32 -0.46 4.82 1.02 0.49 -0.28 119.74 128.96 1bwy s LYS 81 Ca -0.08 1.97 -0.08 0.00 0.02 0.00 0.00 55.97 57.80 1bwy s LYS 81 Cb -0.05 -3.42 0.12 0.00 -0.52 0.00 0.00 37.83 33.96 1bwy s LYS 81 CO 0.00 -0.47 0.32 0.45 -0.92 0.00 0.00 175.35 174.73 1bwy s SER 82 N 1.46 5.60 -0.47 2.83 0.15 0.24 -0.68 113.70 122.84 1bwy s SER 82 Ca 0.63 -1.96 -0.14 0.00 0.70 0.00 0.00 55.95 55.19 1bwy s SER 82 Cb -0.33 -1.97 0.09 0.00 -1.71 0.00 0.00 66.02 62.10 1bwy s SER 82 CO 0.28 -0.66 0.38 -0.63 1.20 0.00 0.00 173.24 173.81 1bwy s ILE 83 N 1.28 4.90 -0.04 6.45 1.09 0.62 -3.06 121.20 132.45 1bwy s ILE 83 Ca 0.07 -1.28 0.06 0.00 -1.10 0.00 0.00 60.65 58.40 1bwy s ILE 83 Cb -0.25 -4.00 -0.02 0.00 -1.06 0.00 0.00 42.46 37.12 1bwy s ILE 83 CO -0.02 -0.63 -0.22 -0.69 -0.10 0.00 0.00 174.94 173.29 1bwy s VAL 84 N 1.56 2.42 0.00 2.92 1.01 0.07 -0.49 120.40 127.89 1bwy s VAL 84 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1bwy s VAL 84 Cb -0.25 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1bwy s VAL 84 CO 0.04 0.58 0.00 0.35 0.00 0.00 0.00 175.10 176.07 1bwy n THR 85 N 2.48 0.00 -4.03 3.92 -2.24 0.04 -0.73 114.28 113.72 1bwy n THR 85 Ca -0.17 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 1bwy n THR 85 Cb 0.52 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 1bwy n THR 85 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1bwy s LEU 86 N 0.00 2.27 -0.05 3.22 0.05 -1.26 -0.51 118.68 122.40 1bwy s LEU 86 Ca 0.00 -0.77 0.05 0.00 0.05 0.00 0.00 54.13 53.46 1bwy s LEU 86 Cb 0.00 0.26 -0.01 0.00 -2.05 0.00 0.00 46.19 44.40 1bwy s LEU 86 CO 0.00 -0.50 -0.20 1.51 -0.55 0.00 0.00 176.35 176.60 1bwy s ASP 87 N -2.38 2.55 0.00 1.48 -4.77 0.34 -4.86 116.67 109.04 1bwy s ASP 87 Ca -0.02 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.81 1bwy s ASP 87 Cb 0.01 -0.73 0.00 0.00 -1.09 0.00 0.00 42.92 41.11 1bwy s ASP 87 CO -0.07 0.19 0.00 0.61 0.70 0.00 0.00 175.17 176.60 1bwy n GLY 88 N 3.09 0.27 1.71 2.12 0.00 -1.26 -0.15 105.19 110.98 1bwy n GLY 88 Ca -0.18 0.78 -0.03 0.00 0.00 0.00 0.00 46.02 46.58 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 1.13 3.00 -0.02 0.00 -1.26 -5.11 105.19 102.92 1bwy n GLY 89 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1bwy n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwy s LYS 90 N -0.27 1.94 -0.16 1.61 2.20 0.79 -4.90 119.74 120.95 1bwy s LYS 90 Ca 0.09 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 55.00 1bwy s LYS 90 Cb 0.21 -1.76 -0.01 0.00 -1.51 0.00 0.00 37.83 34.76 1bwy s LYS 90 CO -0.06 -0.15 0.89 -1.17 -0.36 0.00 0.00 175.35 174.50 1bwy s LEU 91 N 1.27 4.18 -0.14 5.43 0.20 0.29 -0.50 118.68 129.41 1bwy s LEU 91 Ca -0.02 1.27 -0.04 0.00 0.69 0.00 0.00 54.13 56.03 1bwy s LEU 91 Cb -0.14 -3.34 -0.03 0.00 -0.43 0.00 0.00 46.19 42.25 1bwy s LEU 91 CO -0.05 -0.44 0.02 -0.69 -0.29 0.00 0.00 176.35 174.90 1bwy s VAL 92 N 2.26 4.42 -0.27 1.68 1.01 0.34 -0.47 120.40 129.37 1bwy s VAL 92 Ca 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1bwy s VAL 92 Cb -0.17 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.37 1bwy s VAL 92 CO 0.13 0.53 0.07 -2.28 0.00 0.00 0.00 175.10 173.55 1bwy s HIS 93 N -0.17 1.47 0.07 5.22 5.04 0.18 -0.78 115.29 126.31 1bwy s HIS 93 Ca 0.05 -1.42 -0.18 0.00 -1.54 0.00 0.00 55.06 51.97 1bwy s HIS 93 Cb -0.12 -1.45 -0.07 0.00 0.04 0.00 0.00 32.58 30.98 1bwy s HIS 93 CO 0.02 -0.79 0.54 0.08 -2.34 0.00 0.00 174.74 172.24 1bwy s VAL 94 N 1.70 4.81 -0.16 0.89 1.01 0.36 -0.68 120.40 128.33 1bwy s VAL 94 Ca 0.05 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 1bwy s VAL 94 Cb -0.17 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1bwy s VAL 94 CO -0.20 0.52 0.21 -1.58 0.00 0.00 0.00 175.10 174.06 1bwy s GLN 95 N -1.20 0.13 -0.13 2.72 0.74 0.41 -0.28 119.66 122.05 1bwy s GLN 95 Ca 0.29 0.40 -0.00 0.00 0.05 0.00 0.00 55.36 56.09 1bwy s GLN 95 Cb -0.18 -0.75 0.03 0.00 1.10 0.00 0.00 33.01 33.20 1bwy s GLN 95 CO 0.18 -0.49 -0.10 0.21 -0.55 0.00 0.00 175.29 174.54 1bwy s LYS 96 N 2.33 1.79 -0.11 1.67 2.20 0.15 -0.32 119.74 127.45 1bwy s LYS 96 Ca 0.05 -0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.14 1bwy s LYS 96 Cb -0.14 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 1bwy s LYS 96 CO -0.10 -0.28 -0.23 -2.67 -0.36 0.00 0.00 175.35 171.72 1bwy n TRP 97 N 4.87 0.00 0.00 4.03 2.14 -1.21 -0.38 117.44 126.89 1bwy n TRP 97 Ca -0.14 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.43 1bwy n TRP 97 Cb 0.50 -0.33 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 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 -3.87 0.00 0.26 -0.67 6.94 -1.26 -4.84 115.26 111.82 1bwy n ASN 98 Ca -0.09 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.59 1bwy n ASN 98 Cb 0.34 0.00 0.71 0.00 -2.36 0.00 0.00 39.78 38.47 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 -1.40 4.83 0.00 -2.04 -3.44 103.07 101.02 1bwy h GLY 99 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1bwy h GLY 99 CO 0.00 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 177.07 1bwy n GLN 100 N -3.75 0.78 -3.89 4.80 -0.00 -1.26 -5.19 117.38 108.87 1bwy n GLN 100 Ca -0.02 -2.73 -0.15 0.00 -0.00 0.00 0.00 57.00 54.09 1bwy n GLN 100 Cb 0.23 2.74 -0.05 0.00 -0.00 0.00 0.00 30.24 33.16 1bwy n GLN 100 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1bwy n GLU 101 N -0.58 0.52 -4.07 2.61 0.28 -1.26 -3.32 120.64 114.82 1bwy n GLU 101 Ca -0.01 -2.77 -0.08 0.00 -0.16 0.00 0.00 57.16 54.14 1bwy n GLU 101 Cb 0.59 2.48 -0.10 0.00 1.43 0.00 0.00 31.44 35.85 1bwy n GLU 101 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1bwy s THR 102 N -2.99 0.19 -0.01 3.84 -1.32 0.57 -4.65 115.64 111.28 1bwy s THR 102 Ca 0.31 -1.74 0.01 0.00 -1.21 0.00 0.00 61.69 59.06 1bwy s THR 102 Cb 0.00 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1bwy s THR 102 CO 0.22 -0.88 -0.03 -0.94 -2.21 0.00 0.00 174.62 170.78 1bwy s SER 103 N -2.93 0.45 0.04 8.08 1.04 0.05 -0.44 113.70 119.99 1bwy s SER 103 Ca 0.09 -0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.46 1bwy s SER 103 Cb 0.07 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1bwy s SER 103 CO -0.08 0.01 -0.03 -1.48 0.98 0.00 0.00 173.24 172.63 1bwy s LEU 104 N 0.17 2.36 0.01 2.42 0.05 0.14 -0.59 118.68 123.23 1bwy s LEU 104 Ca -0.01 -0.73 0.04 0.00 0.05 0.00 0.00 54.13 53.47 1bwy s LEU 104 Cb -0.04 0.12 -0.01 0.00 -2.05 0.00 0.00 46.19 44.20 1bwy s LEU 104 CO -0.00 -0.43 -0.12 0.68 -0.55 0.00 0.00 176.35 175.93 1bwy s VAL 105 N -2.57 0.94 -0.05 1.48 -7.23 -1.08 -0.65 120.40 111.24 1bwy s VAL 105 Ca -0.05 -0.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 1bwy s VAL 105 Cb -0.02 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.11 1bwy s VAL 105 CO -0.05 0.16 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.62 1bwy s ARG 106 N -0.55 1.82 -0.11 4.82 0.52 0.38 -2.56 118.95 123.27 1bwy s ARG 106 Ca 0.03 -0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 1bwy s ARG 106 Cb -0.06 -1.53 0.03 0.00 0.52 0.00 0.00 34.95 33.91 1bwy s ARG 106 CO 0.00 0.17 0.35 -2.00 0.02 0.00 0.00 175.30 173.84 1bwy s GLU 107 N 0.26 0.46 -0.27 3.54 2.12 -0.81 -0.54 118.70 123.45 1bwy s GLU 107 Ca -0.08 0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.58 1bwy s GLU 107 Cb -0.13 0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.49 1bwy s GLU 107 CO 0.03 -0.07 0.02 1.41 -0.54 0.00 0.00 175.26 176.11 1bwy s MET 108 N -0.07 3.10 0.29 4.30 -2.45 -1.26 0.21 119.30 123.42 1bwy s MET 108 Ca -0.02 -0.83 0.02 0.00 -1.25 0.00 0.00 55.69 53.60 1bwy s MET 108 Cb -0.03 -3.21 -0.01 0.00 1.25 0.00 0.00 34.83 32.83 1bwy s MET 108 CO 0.01 -0.38 0.06 1.33 1.05 0.00 0.00 175.02 177.09 1bwy n VAL 109 N 4.81 0.00 0.00 10.11 0.24 -1.18 -4.95 118.33 127.35 1bwy n VAL 109 Ca -0.16 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 1bwy n VAL 109 Cb 0.48 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 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 -1.50 0.00 -1.53 -1.34 2.03 -1.26 -1.98 116.55 110.97 1bwy n ASP 110 Ca -0.08 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.25 1bwy n ASP 110 Cb 0.40 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.99 3.19 0.27 0.00 -1.26 -5.11 105.19 103.27 1bwy n GLY 111 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.29 0.60 -0.70 1.61 1.02 -0.84 -4.61 119.74 116.53 1bwy s LYS 112 Ca 0.26 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 55.75 1bwy s LYS 112 Cb 0.31 0.26 0.09 0.00 -0.52 0.00 0.00 37.83 37.97 1bwy s LYS 112 CO -0.13 -0.16 0.95 -1.17 -0.92 0.00 0.00 175.35 173.92 1bwy s LEU 113 N -1.38 4.72 -0.30 3.17 1.98 0.62 -3.12 118.68 124.38 1bwy s LEU 113 Ca -0.14 -1.30 -0.29 0.00 -2.89 0.00 0.00 54.13 49.52 1bwy s LEU 113 Cb -0.06 -2.39 -0.01 0.00 0.66 0.00 0.00 46.19 44.39 1bwy s LEU 113 CO 0.03 -1.30 1.57 -0.63 -1.89 0.00 0.00 176.35 174.13 1bwy s ILE 114 N 3.51 3.75 -0.25 6.68 1.01 0.13 -0.21 121.20 135.82 1bwy s ILE 114 Ca 0.22 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.71 1bwy s ILE 114 Cb -0.16 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1bwy s ILE 114 CO 0.05 -0.45 -0.09 -0.22 0.00 0.00 0.00 174.94 174.23 1bwy s LEU 115 N 5.52 3.20 -0.21 2.97 2.96 -0.24 -1.92 118.68 130.97 1bwy s LEU 115 Ca 0.69 -1.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.17 1bwy s LEU 115 Cb -0.21 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1bwy s LEU 115 CO 0.30 -0.21 0.10 0.42 -1.32 0.00 0.00 176.35 175.64 1bwy s THR 116 N 1.19 4.96 -0.24 3.68 -4.23 -1.06 -0.34 115.64 119.60 1bwy s THR 116 Ca -0.07 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1bwy s THR 116 Cb -0.20 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 1bwy s THR 116 CO -0.06 0.41 0.00 -0.76 -0.54 0.00 0.00 174.62 173.68 1bwy s LEU 117 N 0.72 3.21 -0.13 4.79 1.43 0.01 -2.63 118.68 126.08 1bwy s LEU 117 Ca 0.05 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1bwy s LEU 117 Cb -0.13 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1bwy s LEU 117 CO 0.02 -0.06 -0.21 0.42 0.23 0.00 0.00 176.35 176.75 1bwy s THR 118 N 1.50 1.94 -0.52 5.49 -4.23 0.24 -0.56 115.64 119.49 1bwy s THR 118 Ca 0.05 -0.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1bwy s THR 118 Cb -0.15 -1.72 0.24 0.00 1.34 0.00 0.00 72.50 72.21 1bwy s THR 118 CO -0.01 0.53 0.61 1.57 -0.54 0.00 0.00 174.62 176.78 1bwy n HIS 119 N 4.04 1.64 0.00 3.99 -0.00 0.48 -0.77 115.22 124.60 1bwy n HIS 119 Ca -0.20 -3.86 0.00 0.00 -0.00 0.00 0.00 57.72 53.66 1bwy n HIS 119 Cb 0.52 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 1bwy n HIS 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bwy n GLY 120 N 1.28 0.19 0.13 1.57 0.00 -1.26 -0.69 105.19 106.42 1bwy n GLY 120 Ca 0.26 0.67 -0.21 0.00 0.00 0.00 0.00 46.02 46.73 1bwy n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwy h THR 121 N 0.00 1.06 -3.69 2.61 1.03 -1.99 -3.46 112.91 108.48 1bwy h THR 121 Ca 0.00 -2.64 -0.50 0.00 -0.01 0.00 0.00 66.41 63.26 1bwy h THR 121 Cb 0.00 2.81 -0.02 0.00 -1.07 0.00 0.00 68.15 69.86 1bwy h THR 121 CO 0.00 0.84 0.26 0.00 -0.01 0.00 0.00 175.52 176.61 1bwy s ALA 122 N -2.59 3.35 -0.29 0.00 0.00 0.13 -5.04 121.76 117.32 1bwy s ALA 122 Ca -0.13 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1bwy s ALA 122 Cb 0.06 -3.07 0.15 0.00 0.00 0.00 0.00 23.12 20.26 1bwy s ALA 122 CO 0.87 0.24 0.60 0.54 0.00 0.00 0.00 175.76 178.01 1bwy s VAL 123 N -1.33 -0.95 -0.26 0.00 0.11 -1.26 -0.39 120.40 116.32 1bwy s VAL 123 Ca 0.42 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.47 1bwy s VAL 123 Cb -0.22 -0.97 0.08 0.00 -1.53 0.00 0.00 36.38 33.74 1bwy s VAL 123 CO 0.27 -0.00 0.05 0.00 -3.33 0.00 0.00 175.10 172.09 1bwy s THR 125 N 1.66 2.32 -0.20 0.00 -4.23 -1.26 -0.81 115.64 113.12 1bwy s THR 125 Ca 0.04 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.73 1bwy s THR 125 Cb -0.17 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.63 1bwy s THR 125 CO -0.16 0.01 0.42 0.00 -0.54 0.00 0.00 174.62 174.35 1bwy s ARG 126 N -2.75 0.33 -0.69 3.99 1.70 0.54 -2.53 118.95 119.55 1bwy s ARG 126 Ca 0.67 1.03 -0.19 0.00 -0.47 0.00 0.00 55.73 56.77 1bwy s ARG 126 Cb -0.38 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.43 1bwy s ARG 126 CO 0.46 -0.27 0.84 0.95 -1.08 0.00 0.00 175.30 176.21 1bwy s THR 127 N 2.62 4.77 0.92 4.99 -4.23 -1.26 -1.07 115.64 122.37 1bwy s THR 127 Ca -0.01 -1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1bwy s THR 127 Cb -0.12 -4.58 0.14 0.00 1.34 0.00 0.00 72.50 69.28 1bwy s THR 127 CO -0.13 -1.26 1.09 -0.31 -0.54 0.00 0.00 174.62 173.47 1bwy s TYR 128 N 2.75 2.15 -0.01 3.99 1.51 0.71 -3.88 117.35 124.56 1bwy s TYR 128 Ca 0.18 1.34 -0.01 0.00 -1.01 0.00 0.00 57.07 57.57 1bwy s TYR 128 Cb -0.18 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 1bwy s TYR 128 CO 0.03 -2.55 0.04 -2.00 -1.11 0.00 0.00 175.55 169.95 1bwy s GLU 129 N -4.84 0.04 -0.42 -0.62 2.12 -0.37 -0.27 118.70 114.34 1bwy s GLU 129 Ca 0.64 0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.74 1bwy s GLU 129 Cb -0.19 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.22 1bwy s GLU 129 CO 0.58 -0.01 1.53 0.21 -0.54 0.00 0.00 175.26 177.03 1bwy s LYS 130 N 0.02 3.44 0.01 4.30 2.20 -1.26 -0.51 119.74 127.93 1bwy s LYS 130 Ca -0.00 0.99 0.15 0.00 -0.36 0.00 0.00 55.97 56.75 1bwy s LYS 130 Cb -0.00 -4.10 -0.18 0.00 -1.51 0.00 0.00 37.83 32.04 1bwy s LYS 130 CO 0.00 -1.73 0.73 0.00 -0.36 0.00 0.00 175.35 173.99 1bwy n GLN 131 N 8.28 0.63 -0.27 4.03 10.64 0.26 -4.93 117.38 136.03 1bwy n GLN 131 Ca 0.18 0.25 0.00 0.00 -1.83 0.00 0.00 57.00 55.60 1bwy n GLN 131 Cb 0.48 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23