#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 0.00 0.66 6.55 5.19 -1.99 0.19 116.42 127.02 1bwy h ASP 2 Ca 0.00 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 1bwy h ASP 2 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1bwy h ASP 2 CO 0.00 0.00 -1.26 0.00 -3.12 0.00 0.00 179.24 174.86 1bwy h ALA 3 N 1.49 0.18 -0.06 3.45 0.00 -1.98 -3.37 119.26 118.97 1bwy h ALA 3 Ca 0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 1bwy h ALA 3 Cb 0.69 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1bwy h ALA 3 CO -0.00 1.06 -0.08 0.74 0.00 0.00 0.00 179.25 180.96 1bwy h PHE 4 N 0.06 0.20 -0.60 0.00 0.04 -1.02 -3.45 116.94 112.18 1bwy h PHE 4 Ca -0.14 -0.07 -0.67 0.00 2.80 0.00 0.00 57.97 59.90 1bwy h PHE 4 Cb 1.95 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 40.03 1bwy h PHE 4 CO 0.05 0.65 1.44 0.28 -0.60 0.00 0.00 178.31 180.13 1bwy n VAL 5 N -4.69 0.08 0.00 -0.55 0.31 -1.16 -4.47 118.33 107.85 1bwy n VAL 5 Ca -0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1bwy n VAL 5 Cb 0.32 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 6.85 0.66 3.52 2.92 0.00 -0.10 -4.93 105.19 114.11 1bwy n GLY 6 Ca 0.49 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.35 5.17 -0.40 2.61 2.01 0.25 -0.62 115.64 123.32 1bwy s THR 7 Ca 0.00 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 1bwy s THR 7 Cb 0.00 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1bwy s THR 7 CO 0.00 -0.18 0.91 0.26 -0.69 0.00 0.00 174.62 174.92 1bwy s TRP 8 N 1.98 3.04 -0.18 4.92 0.52 0.12 -0.91 118.94 128.42 1bwy s TRP 8 Ca 0.10 0.63 -0.07 0.00 0.02 0.00 0.00 56.10 56.78 1bwy s TRP 8 Cb -0.17 -3.71 -0.04 0.00 -1.15 0.00 0.00 33.47 28.39 1bwy s TRP 8 CO 0.12 -0.90 0.06 0.21 0.02 0.00 0.00 176.95 176.46 1bwy s LYS 9 N 3.51 3.98 0.42 4.98 2.36 0.24 -0.66 119.74 134.57 1bwy s LYS 9 Ca 0.37 -0.34 -0.25 0.00 -2.55 0.00 0.00 55.97 53.20 1bwy s LYS 9 Cb -0.12 -3.22 -0.08 0.00 -1.05 0.00 0.00 37.83 33.37 1bwy s LYS 9 CO 0.21 0.27 1.24 -1.17 1.55 0.00 0.00 175.35 177.45 1bwy s LEU 10 N 0.38 4.15 0.00 5.43 0.20 -0.78 -0.24 118.68 127.83 1bwy s LEU 10 Ca 0.03 2.51 0.00 0.00 0.69 0.00 0.00 54.13 57.36 1bwy s LEU 10 Cb -0.12 -4.02 0.00 0.00 -0.43 0.00 0.00 46.19 41.62 1bwy s LEU 10 CO 0.00 -0.86 0.00 0.55 -0.29 0.00 0.00 176.35 175.75 1bwy n VAL 11 N -0.07 0.00 -4.15 1.68 3.14 0.03 -4.80 118.33 114.17 1bwy n VAL 11 Ca 0.05 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.33 1bwy n VAL 11 Cb 0.45 -0.66 -0.10 0.00 -1.06 0.00 0.00 33.84 32.47 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 -4.14 0.67 -0.29 6.55 2.15 -0.36 -5.03 116.67 116.22 1bwy s ASP 12 Ca 0.00 -1.10 -0.16 0.00 0.43 0.00 0.00 52.55 51.72 1bwy s ASP 12 Cb 0.00 0.20 0.16 0.00 -0.30 0.00 0.00 42.92 42.98 1bwy s ASP 12 CO 0.00 -0.61 1.04 -0.55 -0.17 0.00 0.00 175.17 174.88 1bwy s SER 13 N -3.03 -0.43 -0.04 -0.34 0.15 -1.26 -0.32 113.70 108.42 1bwy s SER 13 Ca 0.17 0.66 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1bwy s SER 13 Cb 0.07 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 65.69 1bwy s SER 13 CO -0.03 -0.10 -0.10 -0.75 1.20 0.00 0.00 173.24 173.46 1bwy s LYS 14 N 1.66 1.27 -1.06 5.44 2.47 -0.04 -4.79 119.74 124.69 1bwy s LYS 14 Ca -0.06 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.00 1bwy s LYS 14 Cb -0.04 -1.13 0.00 0.00 -1.46 0.00 0.00 37.83 35.21 1bwy s LYS 14 CO -0.15 0.08 0.00 0.09 0.16 0.00 0.00 175.35 175.53 1bwy n ASN 15 N 3.53 -3.93 -0.00 1.43 3.02 -1.26 -2.87 115.26 115.17 1bwy n ASN 15 Ca -0.21 -0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.23 1bwy n ASN 15 Cb 0.53 -3.14 -0.09 0.00 -0.61 0.00 0.00 39.78 36.48 1bwy n ASN 15 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1bwy h PHE 16 N 0.00 -0.10 -0.02 3.10 -0.00 -1.88 -1.99 116.94 116.06 1bwy h PHE 16 Ca -0.30 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.56 1bwy h PHE 16 Cb 1.22 0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 37.18 1bwy h PHE 16 CO 0.33 0.45 -0.52 -0.44 -0.00 0.00 0.00 178.31 178.13 1bwy h ASP 17 N -0.88 0.06 -0.50 -0.68 3.32 -1.98 -1.77 116.42 114.00 1bwy h ASP 17 Ca -0.01 -0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.11 1bwy h ASP 17 Cb 0.59 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 1bwy h ASP 17 CO 0.02 0.58 -0.01 -0.78 -1.72 0.00 0.00 179.24 177.32 1bwy h ASP 18 N 0.05 -0.24 0.58 6.45 3.58 -1.90 -0.90 116.42 124.03 1bwy h ASP 18 Ca -0.00 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1bwy h ASP 18 Cb 0.94 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1bwy h ASP 18 CO 0.07 -0.08 -0.42 0.22 -2.88 0.00 0.00 179.24 176.15 1bwy h TYR 19 N 0.10 -1.14 -0.70 0.28 3.20 -0.53 -2.59 116.97 115.60 1bwy h TYR 19 Ca 0.25 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.22 1bwy h TYR 19 Cb 0.38 0.42 -0.05 0.00 1.54 0.00 0.00 36.73 39.03 1bwy h TYR 19 CO -0.33 -0.60 0.46 0.00 -1.64 0.00 0.00 178.16 176.06 1bwy h MET 20 N -0.96 0.55 -3.90 1.82 -0.00 -1.45 0.10 114.93 111.10 1bwy h MET 20 Ca -0.08 -0.03 -0.46 0.00 -0.00 0.00 0.00 59.70 59.13 1bwy h MET 20 Cb 0.79 -0.12 0.03 0.00 -0.00 0.00 0.00 31.60 32.29 1bwy h MET 20 CO 0.04 0.36 2.37 1.17 -0.00 0.00 0.00 176.91 180.85 1bwy n LYS 21 N -4.49 1.69 0.00 -0.10 0.00 -0.35 -0.46 118.16 114.45 1bwy n LYS 21 Ca 0.12 -1.53 0.00 0.00 0.00 0.00 0.00 58.31 56.89 1bwy n LYS 21 Cb 0.35 -2.60 0.00 0.00 0.00 0.00 0.00 35.03 32.78 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 5.58 0.00 0.24 3.14 2.88 -0.97 -4.88 113.62 119.61 1bwy n SER 22 Ca 0.44 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.07 1bwy n SER 22 Cb 0.23 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.30 1bwy n SER 22 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1bwy h LEU 23 N 0.00 0.00 0.00 2.46 7.12 -0.64 -3.46 115.31 120.79 1bwy h LEU 23 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1bwy h LEU 23 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1bwy h LEU 23 CO 0.00 0.17 0.00 0.61 -0.13 0.00 0.00 178.44 179.09 1bwy n GLY 24 N -0.75 3.09 0.61 3.75 0.00 0.39 -4.85 105.19 107.43 1bwy n GLY 24 Ca -0.02 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.47 1bwy n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bwy h VAL 25 N 0.00 0.03 -0.24 1.61 -1.51 -1.78 -3.19 116.25 111.17 1bwy h VAL 25 Ca 0.00 -0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.32 1bwy h VAL 25 Cb 0.00 0.02 -0.14 0.00 -2.13 0.00 0.00 31.29 29.04 1bwy h VAL 25 CO 0.00 0.00 -0.36 0.61 -1.23 0.00 0.00 177.57 176.59 1bwy n GLY 26 N -1.76 -0.65 0.43 5.19 0.00 -1.26 -4.65 105.19 102.48 1bwy n GLY 26 Ca 0.42 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.83 1bwy n GLY 26 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bwy h PHE 27 N 4.07 -1.56 0.00 1.61 0.04 -1.76 -3.07 116.94 116.26 1bwy h PHE 27 Ca -0.11 0.09 -0.30 0.00 2.80 0.00 0.00 57.97 60.45 1bwy h PHE 27 Cb 1.10 0.75 -0.06 0.00 2.20 0.00 0.00 35.95 39.94 1bwy h PHE 27 CO -0.01 -0.46 -2.18 0.00 -0.60 0.00 0.00 178.31 175.07 1bwy n ALA 28 N -3.12 1.62 -0.02 2.45 0.00 -1.26 -4.68 120.51 115.50 1bwy n ALA 28 Ca -0.01 -1.12 -0.00 0.00 0.00 0.00 0.00 53.44 52.30 1bwy n ALA 28 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 1bwy n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bwy h THR 29 N 0.00 0.00 -0.73 0.00 1.35 -1.94 -3.37 112.91 108.22 1bwy h THR 29 Ca -0.45 -0.41 0.16 0.00 -0.55 0.00 0.00 66.41 65.16 1bwy h THR 29 Cb 2.02 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 1bwy h THR 29 CO 0.02 0.00 0.49 -0.09 -0.25 0.00 0.00 175.52 175.70 1bwy h ARG 30 N -0.41 0.29 -0.08 4.72 2.43 -1.83 0.15 114.38 119.63 1bwy h ARG 30 Ca 0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1bwy h ARG 30 Cb 0.04 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1bwy h ARG 30 CO 0.00 0.19 0.07 -0.56 -1.51 0.00 0.00 179.97 178.16 1bwy h GLN 31 N 0.30 0.00 0.01 0.20 3.07 -1.73 -0.80 115.11 116.16 1bwy h GLN 31 Ca 0.36 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.95 1bwy h GLN 31 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.51 1bwy h GLN 31 CO -0.09 0.00 -0.78 0.28 0.09 0.00 0.00 178.83 178.32 1bwy h VAL 32 N 0.00 1.27 0.00 1.86 2.07 -0.97 -3.35 116.25 117.14 1bwy h VAL 32 Ca 0.04 -2.27 -0.08 0.00 0.82 0.00 0.00 66.70 65.21 1bwy h VAL 32 Cb 0.19 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1bwy h VAL 32 CO -0.00 0.47 -0.09 0.61 0.02 0.00 0.00 177.57 178.58 1bwy n GLY 33 N 1.54 2.26 0.47 2.17 0.00 -0.07 -3.09 105.19 108.45 1bwy n GLY 33 Ca -0.23 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 2.20 0.00 0.29 1.61 0.23 -0.51 -4.41 115.26 114.67 1bwy n ASN 34 Ca 0.18 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.36 1bwy n ASN 34 Cb 0.54 0.12 0.84 0.00 -2.08 0.00 0.00 39.78 39.20 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 0.00 -4.30 -3.83 2.86 -1.67 -3.29 114.93 104.70 1bwy h MET 35 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1bwy h MET 35 Cb 0.00 0.00 0.06 0.00 0.06 0.00 0.00 31.60 31.72 1bwy h MET 35 CO 0.00 0.00 2.00 2.41 1.06 0.00 0.00 176.91 182.38 1bwy n THR 36 N -4.03 1.32 -3.58 2.22 -1.04 -1.22 -4.55 114.28 103.41 1bwy n THR 36 Ca -0.03 -1.01 -0.23 0.00 -2.04 0.00 0.00 64.05 60.74 1bwy n THR 36 Cb 0.09 -2.10 0.01 0.00 -1.82 0.00 0.00 70.33 66.50 1bwy n THR 36 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bwy n LYS 37 N 6.35 -1.64 -2.50 -2.82 4.81 -1.26 -4.66 118.16 116.44 1bwy n LYS 37 Ca 0.42 1.07 -0.35 0.00 -0.87 0.00 0.00 58.31 58.57 1bwy n LYS 37 Cb 0.30 -2.92 -0.03 0.00 0.02 0.00 0.00 35.03 32.40 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 -4.03 3.94 0.13 1.64 0.04 -1.24 -4.90 135.00 130.58 1bwy s PRO 38 Ca 0.09 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 1bwy s PRO 38 Cb -0.01 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.23 1bwy s PRO 38 CO 0.87 -0.33 0.38 0.99 0.04 0.00 0.00 177.00 178.94 1bwy s THR 39 N -1.78 0.08 -0.11 1.26 2.01 0.72 -1.87 115.64 115.95 1bwy s THR 39 Ca 0.63 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.73 1bwy s THR 39 Cb -0.20 -1.24 0.05 0.00 0.01 0.00 0.00 72.50 71.11 1bwy s THR 39 CO 0.25 -0.35 0.50 -0.89 -0.69 0.00 0.00 174.62 173.44 1bwy s THR 40 N -3.82 0.02 0.08 -0.82 2.01 0.17 -0.47 115.64 112.80 1bwy s THR 40 Ca 0.04 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1bwy s THR 40 Cb 0.02 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1bwy s THR 40 CO -0.11 -0.07 -0.04 0.27 -0.69 0.00 0.00 174.62 173.98 1bwy s ILE 41 N -0.48 3.77 -0.06 1.82 -4.36 0.07 0.12 121.20 122.09 1bwy s ILE 41 Ca -0.06 -1.02 0.02 0.00 -0.26 0.00 0.00 60.65 59.33 1bwy s ILE 41 Cb -0.03 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 40.93 1bwy s ILE 41 CO 0.04 0.17 -0.11 -0.63 0.24 0.00 0.00 174.94 174.65 1bwy s ILE 42 N -1.22 1.04 -0.20 8.37 -1.09 0.21 -0.90 121.20 127.41 1bwy s ILE 42 Ca 0.23 -0.43 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1bwy s ILE 42 Cb -0.11 -0.95 0.04 0.00 -1.58 0.00 0.00 42.46 39.85 1bwy s ILE 42 CO 0.15 0.33 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.46 1bwy s GLU 43 N 0.63 2.19 -0.95 2.79 2.02 0.16 -0.93 118.70 124.62 1bwy s GLU 43 Ca -0.13 -0.90 -0.20 0.00 0.02 0.00 0.00 54.97 53.76 1bwy s GLU 43 Cb -0.15 -2.49 -0.11 0.00 0.10 0.00 0.00 34.13 31.48 1bwy s GLU 43 CO 0.03 -0.41 2.00 1.55 0.02 0.00 0.00 175.26 178.45 1bwy n VAL 44 N 4.64 2.23 -1.89 2.63 3.14 -1.26 -0.51 118.33 127.32 1bwy n VAL 44 Ca -0.15 -1.96 -0.36 0.00 -2.96 0.00 0.00 64.34 58.90 1bwy n VAL 44 Cb 0.46 -2.39 0.05 0.00 -1.06 0.00 0.00 33.84 30.91 1bwy n VAL 44 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1bwy s ASN 45 N 4.59 4.93 0.00 6.55 2.47 -1.16 -4.87 114.94 127.45 1bwy s ASN 45 Ca 0.55 2.51 0.00 0.00 0.42 0.00 0.00 52.86 56.34 1bwy s ASN 45 Cb 0.14 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 1bwy s ASN 45 CO 0.07 -1.77 0.00 0.61 -3.72 0.00 0.00 177.10 172.28 1bwy n GLY 46 N 0.69 0.00 0.54 1.21 0.00 -1.26 -0.63 105.19 105.74 1bwy n GLY 46 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1bwy n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bwy n ASP 47 N -2.42 3.00 -3.16 1.61 5.75 -1.26 -5.05 116.55 115.03 1bwy n ASP 47 Ca 0.00 -2.45 -0.16 0.00 -0.01 0.00 0.00 54.79 52.16 1bwy n ASP 47 Cb 0.00 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 1bwy n ASP 47 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1bwy s THR 48 N -1.80 0.00 -0.28 2.12 -4.23 0.20 -4.82 115.64 106.82 1bwy s THR 48 Ca 0.26 -1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1bwy s THR 48 Cb 0.19 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.48 1bwy s THR 48 CO 0.09 0.00 0.12 -0.69 -0.54 0.00 0.00 174.62 173.61 1bwy s VAL 49 N -3.01 -0.05 0.35 2.29 1.01 0.58 -2.97 120.40 118.61 1bwy s VAL 49 Ca 0.33 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1bwy s VAL 49 Cb -0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 1bwy s VAL 49 CO 0.23 -0.68 1.04 -0.63 0.00 0.00 0.00 175.10 175.06 1bwy s ILE 50 N 2.09 3.76 0.03 2.22 1.01 0.34 -0.08 121.20 130.57 1bwy s ILE 50 Ca 0.08 1.49 0.08 0.00 0.00 0.00 0.00 60.65 62.29 1bwy s ILE 50 Cb -0.16 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1bwy s ILE 50 CO -0.34 0.14 -0.21 0.27 0.00 0.00 0.00 174.94 174.80 1bwy s ILE 51 N -1.51 2.54 -0.30 2.92 -4.36 0.40 -0.66 121.20 120.23 1bwy s ILE 51 Ca 0.52 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 1bwy s ILE 51 Cb -0.24 -2.03 0.09 0.00 1.25 0.00 0.00 42.46 41.53 1bwy s ILE 51 CO 0.30 0.38 0.06 -0.75 0.24 0.00 0.00 174.94 175.18 1bwy s LYS 52 N -1.26 1.00 0.39 0.37 2.36 -0.07 -2.12 119.74 120.40 1bwy s LYS 52 Ca 0.13 -1.20 -0.24 0.00 -2.55 0.00 0.00 55.97 52.11 1bwy s LYS 52 Cb -0.10 -2.35 -0.09 0.00 -1.05 0.00 0.00 37.83 34.24 1bwy s LYS 52 CO 0.03 -0.90 1.03 0.99 1.55 0.00 0.00 175.35 178.05 1bwy s THR 53 N 1.44 3.85 -0.39 3.43 2.01 -0.25 -0.75 115.64 124.98 1bwy s THR 53 Ca 0.07 1.41 0.09 0.00 0.31 0.00 0.00 61.69 63.58 1bwy s THR 53 Cb -0.18 -3.73 0.28 0.00 0.01 0.00 0.00 72.50 68.88 1bwy s THR 53 CO -0.18 0.01 0.61 0.00 -0.69 0.00 0.00 174.62 174.37 1bwy n GLN 54 N 0.00 0.80 -0.04 4.92 6.02 0.38 -4.25 117.38 125.21 1bwy n GLN 54 Ca 0.05 -3.17 -0.15 0.00 -0.01 0.00 0.00 57.00 53.71 1bwy n GLN 54 Cb 0.50 -1.37 -0.08 0.00 1.02 0.00 0.00 30.24 30.31 1bwy n GLN 54 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1bwy h SER 55 N 3.68 0.51 0.00 1.08 0.02 -1.88 0.21 113.55 117.16 1bwy h SER 55 Ca 0.07 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1bwy h SER 55 Cb 0.92 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1bwy h SER 55 CO 0.46 1.01 0.00 0.41 -1.14 0.00 0.00 176.83 177.57 1bwy n THR 56 N -4.37 0.00 -0.04 -2.27 -1.04 -1.26 -4.27 114.28 101.02 1bwy n THR 56 Ca -0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1bwy n THR 56 Cb 0.50 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.98 1bwy n THR 56 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1bwy n PHE 57 N 0.00 0.00 -1.45 -1.42 3.72 -1.26 -4.78 117.46 112.27 1bwy n PHE 57 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1bwy n PHE 57 Cb 0.00 -0.30 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1bwy n LYS 58 N -3.35 2.78 -1.35 -1.08 4.81 -1.26 -4.86 118.16 113.86 1bwy n LYS 58 Ca -0.17 -2.29 -0.03 0.00 -0.87 0.00 0.00 58.31 54.96 1bwy n LYS 58 Cb 0.62 -3.04 0.01 0.00 0.02 0.00 0.00 35.03 32.64 1bwy n LYS 58 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bwy n ASN 59 N 5.54 0.43 -3.79 3.14 3.02 -1.26 -4.86 115.26 117.48 1bwy n ASN 59 Ca 0.58 -1.22 -0.10 0.00 -0.03 0.00 0.00 54.58 53.81 1bwy n ASN 59 Cb 0.33 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.37 0.00 -0.08 3.41 -4.23 -1.26 -4.85 115.64 109.00 1bwy s THR 60 Ca 0.08 -1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 59.17 1bwy s THR 60 Cb -0.01 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.56 1bwy s THR 60 CO 0.05 0.00 0.20 -1.83 -0.54 0.00 0.00 174.62 172.50 1bwy s GLU 61 N -3.72 0.20 -0.01 3.99 1.03 -1.26 -1.09 118.70 117.83 1bwy s GLU 61 Ca 0.22 0.35 -0.08 0.00 0.03 0.00 0.00 54.97 55.49 1bwy s GLU 61 Cb -0.02 0.00 0.01 0.00 -0.80 0.00 0.00 34.13 33.33 1bwy s GLU 61 CO 0.11 -0.08 0.16 0.42 -1.33 0.00 0.00 175.26 174.54 1bwy s ILE 62 N 0.57 0.06 -0.62 1.83 1.09 -0.90 -4.98 121.20 118.25 1bwy s ILE 62 Ca -0.04 -0.52 -0.16 0.00 -1.10 0.00 0.00 60.65 58.83 1bwy s ILE 62 Cb -0.05 -0.41 0.15 0.00 -1.06 0.00 0.00 42.46 41.08 1bwy s ILE 62 CO -0.03 -0.29 0.58 -0.94 -0.10 0.00 0.00 174.94 174.16 1bwy s SER 63 N -1.06 6.34 0.49 3.58 1.04 -1.26 -0.45 113.70 122.37 1bwy s SER 63 Ca -0.11 -2.01 -0.21 0.00 0.48 0.00 0.00 55.95 54.10 1bwy s SER 63 Cb -0.06 -2.22 -0.07 0.00 0.10 0.00 0.00 66.02 63.77 1bwy s SER 63 CO 0.02 -0.80 1.09 -0.36 0.98 0.00 0.00 173.24 174.17 1bwy s PHE 64 N 1.29 2.89 -0.16 5.02 0.40 0.88 -4.85 117.98 123.46 1bwy s PHE 64 Ca 0.07 1.57 0.18 0.00 -0.60 0.00 0.00 56.93 58.15 1bwy s PHE 64 Cb -0.25 -3.21 0.41 0.00 0.51 0.00 0.00 43.02 40.49 1bwy s PHE 64 CO 0.00 -1.18 1.29 1.63 0.70 0.00 0.00 175.22 177.66 1bwy n LYS 65 N -0.89 2.08 -2.63 0.44 4.76 -1.26 -0.30 118.16 120.35 1bwy n LYS 65 Ca 0.09 -2.73 -0.08 0.00 -2.87 0.00 0.00 58.31 52.72 1bwy n LYS 65 Cb 0.51 -1.67 -0.02 0.00 -1.84 0.00 0.00 35.03 32.01 1bwy n LYS 65 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1bwy n LEU 66 N -0.99 -0.16 0.00 -0.35 -0.00 -1.26 -4.13 117.00 110.11 1bwy n LEU 66 Ca 0.19 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1bwy n LEU 66 Cb 0.77 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 1bwy n LEU 66 CO 0.08 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.10 1bwy n GLY 67 N -0.55 0.00 3.63 1.47 0.00 -0.49 -4.23 105.19 105.02 1bwy n GLY 67 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.04 1.61 0.11 -0.36 -4.98 120.40 116.75 1bwy s VAL 68 Ca 0.00 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1bwy s VAL 68 Cb 0.00 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1bwy s VAL 68 CO 0.00 0.00 0.06 -1.83 -3.33 0.00 0.00 175.10 170.00 1bwy s GLU 69 N -2.50 3.06 0.05 1.54 -1.05 -1.26 -0.74 118.70 117.79 1bwy s GLU 69 Ca 0.13 -0.44 -0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1bwy s GLU 69 Cb 0.04 -2.86 -0.03 0.00 -0.44 0.00 0.00 34.13 30.83 1bwy s GLU 69 CO -0.04 0.67 -0.04 -0.59 0.95 0.00 0.00 175.26 176.22 1bwy s PHE 70 N -1.09 0.49 0.31 4.83 -0.71 -1.21 -4.92 117.98 115.69 1bwy s PHE 70 Ca 0.19 -0.85 -0.29 0.00 -1.04 0.00 0.00 56.93 54.95 1bwy s PHE 70 Cb -0.12 -0.34 -0.10 0.00 -1.21 0.00 0.00 43.02 41.24 1bwy s PHE 70 CO 0.10 -0.27 1.37 0.34 -1.34 0.00 0.00 175.22 175.41 1bwy s ASP 71 N -2.40 6.68 -0.48 1.98 -1.08 -1.26 -1.03 116.67 119.08 1bwy s ASP 71 Ca -0.01 2.73 0.08 0.00 -0.52 0.00 0.00 52.55 54.84 1bwy s ASP 71 Cb 0.01 -2.64 0.32 0.00 -1.46 0.00 0.00 42.92 39.15 1bwy s ASP 71 CO -0.06 -0.63 0.78 1.21 0.52 0.00 0.00 175.17 177.00 1bwy n GLU 72 N 1.18 1.92 -1.53 4.34 2.13 0.48 -4.89 120.64 124.27 1bwy n GLU 72 Ca 0.02 -4.03 -0.39 0.00 0.66 0.00 0.00 57.16 53.42 1bwy n GLU 72 Cb 0.41 -1.89 -0.07 0.00 0.27 0.00 0.00 31.44 30.15 1bwy n GLU 72 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1bwy n THR 73 N 0.32 -0.03 -5.10 6.31 -1.04 -1.26 -3.27 114.28 110.20 1bwy n THR 73 Ca 0.27 -0.49 -0.32 0.00 -2.04 0.00 0.00 64.05 61.47 1bwy n THR 73 Cb 0.52 -1.93 -0.15 0.00 -1.82 0.00 0.00 70.33 66.94 1bwy n THR 73 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1bwy s THR 74 N 10.77 2.45 0.00 12.58 -1.32 -0.09 -4.86 115.64 135.17 1bwy s THR 74 Ca 1.12 -0.93 -0.06 0.00 -1.21 0.00 0.00 61.69 60.62 1bwy s THR 74 Cb -0.60 -1.93 -0.25 0.00 -1.51 0.00 0.00 72.50 68.21 1bwy s THR 74 CO 0.36 0.57 3.49 0.00 -2.21 0.00 0.00 174.62 176.83 1bwy n ALA 75 N 2.83 6.16 0.09 11.08 0.00 -1.26 -0.33 120.51 139.08 1bwy n ALA 75 Ca -0.17 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1bwy n ALA 75 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 2.48 -1.57 -0.22 0.00 5.75 -1.26 -4.93 116.55 116.79 1bwy n ASP 76 Ca 0.40 0.60 0.09 0.00 -0.01 0.00 0.00 54.79 55.87 1bwy n ASP 76 Cb 0.88 1.74 0.42 0.00 -1.03 0.00 0.00 41.12 43.13 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 -3.08 0.66 0.00 -1.12 -0.08 -1.18 -4.48 116.55 107.27 1bwy n ASP 77 Ca 0.00 -1.60 0.00 0.00 -1.51 0.00 0.00 54.79 51.68 1bwy n ASP 77 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 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 -0.32 0.00 -3.26 -0.67 1.74 0.55 -4.57 116.66 110.14 1bwy n ARG 78 Ca 0.13 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.76 1bwy n ARG 78 Cb 0.16 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.60 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 4.17 0.58 5.56 2.20 -1.26 -0.91 119.74 130.08 1bwy s LYS 79 Ca 0.00 -3.08 -0.02 0.00 -0.36 0.00 0.00 55.97 52.51 1bwy s LYS 79 Cb 0.00 -4.66 0.03 0.00 -1.51 0.00 0.00 37.83 31.69 1bwy s LYS 79 CO 0.00 -1.35 0.84 0.14 -0.36 0.00 0.00 175.35 174.62 1bwy s VAL 80 N -0.66 3.05 -0.36 4.02 -7.23 -1.20 -4.86 120.40 113.16 1bwy s VAL 80 Ca 0.33 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.13 1bwy s VAL 80 Cb -0.09 -3.20 0.11 0.00 0.56 0.00 0.00 36.38 33.77 1bwy s VAL 80 CO -0.06 -0.17 0.13 -0.75 -0.31 0.00 0.00 175.10 173.93 1bwy s LYS 81 N -4.89 1.14 -0.26 4.82 2.47 0.40 -0.39 119.74 123.02 1bwy s LYS 81 Ca 0.55 -1.61 -0.03 0.00 -1.56 0.00 0.00 55.97 53.33 1bwy s LYS 81 Cb -0.10 -2.49 0.02 0.00 -1.46 0.00 0.00 37.83 33.80 1bwy s LYS 81 CO 0.41 -1.02 -0.02 0.45 0.16 0.00 0.00 175.35 175.33 1bwy s SER 82 N 1.01 4.54 -0.25 1.43 0.15 -0.20 -3.35 113.70 117.03 1bwy s SER 82 Ca 0.12 -0.85 -0.29 0.00 0.70 0.00 0.00 55.95 55.64 1bwy s SER 82 Cb -0.20 -1.72 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1bwy s SER 82 CO -0.13 -0.15 1.04 -0.51 1.20 0.00 0.00 173.24 174.69 1bwy s ILE 83 N 1.36 4.65 -0.08 6.45 -1.16 0.15 -3.34 121.20 129.24 1bwy s ILE 83 Ca 0.00 1.93 -0.02 0.00 -0.51 0.00 0.00 60.65 62.05 1bwy s ILE 83 Cb -0.17 -4.32 -0.03 0.00 0.61 0.00 0.00 42.46 38.54 1bwy s ILE 83 CO -0.03 -0.25 0.02 0.54 -2.81 0.00 0.00 174.94 172.42 1bwy s VAL 84 N 3.29 4.47 0.19 4.00 0.11 0.08 -0.80 120.40 131.73 1bwy s VAL 84 Ca 0.44 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1bwy s VAL 84 Cb -0.14 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 1bwy s VAL 84 CO 0.08 0.58 0.06 0.42 -3.33 0.00 0.00 175.10 172.91 1bwy s THR 85 N -0.93 0.41 -0.23 5.04 -4.23 -0.01 -1.22 115.64 114.45 1bwy s THR 85 Ca 0.14 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1bwy s THR 85 Cb -0.11 -2.27 0.06 0.00 1.34 0.00 0.00 72.50 71.52 1bwy s THR 85 CO 0.04 -0.30 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.59 1bwy s LEU 86 N -3.17 2.14 -0.23 4.79 0.20 -1.26 -0.29 118.68 120.86 1bwy s LEU 86 Ca 0.29 -1.13 -0.07 0.00 0.69 0.00 0.00 54.13 53.91 1bwy s LEU 86 Cb 0.07 -0.97 -0.03 0.00 -0.43 0.00 0.00 46.19 44.83 1bwy s LEU 86 CO 0.07 -0.28 0.05 1.51 -0.29 0.00 0.00 176.35 177.41 1bwy s ASP 87 N 1.55 5.08 0.00 3.68 -4.77 0.23 -4.84 116.67 117.60 1bwy s ASP 87 Ca -0.02 -0.19 0.00 0.00 -3.30 0.00 0.00 52.55 49.04 1bwy s ASP 87 Cb -0.18 -1.90 0.00 0.00 -1.09 0.00 0.00 42.92 39.75 1bwy s ASP 87 CO -0.09 0.00 0.00 0.61 0.70 0.00 0.00 175.17 176.40 1bwy n GLY 88 N 4.66 0.76 0.60 2.12 0.00 -1.26 -0.64 105.19 111.43 1bwy n GLY 88 Ca -0.16 0.46 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 0.82 3.24 -0.02 0.00 -1.26 -5.02 105.19 102.94 1bwy n GLY 89 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 3.19 -0.46 1.61 1.02 0.19 -4.72 119.74 120.57 1bwy s LYS 90 Ca 0.02 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 55.00 1bwy s LYS 90 Cb 0.02 -2.67 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1bwy s LYS 90 CO -0.01 -0.06 0.96 -1.17 -0.92 0.00 0.00 175.35 174.15 1bwy s LEU 91 N 1.01 3.95 -0.33 3.17 0.20 0.33 -0.60 118.68 126.41 1bwy s LEU 91 Ca -0.02 0.20 -0.16 0.00 0.69 0.00 0.00 54.13 54.84 1bwy s LEU 91 Cb -0.15 -3.26 -0.01 0.00 -0.43 0.00 0.00 46.19 42.34 1bwy s LEU 91 CO -0.03 -1.07 0.43 -0.69 -0.29 0.00 0.00 176.35 174.70 1bwy s VAL 92 N 3.85 5.10 -0.24 1.68 1.01 0.60 -0.23 120.40 132.18 1bwy s VAL 92 Ca 0.39 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1bwy s VAL 92 Cb -0.10 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1bwy s VAL 92 CO 0.27 -0.09 -0.04 -2.28 0.00 0.00 0.00 175.10 172.96 1bwy s HIS 93 N 2.19 3.01 -0.28 5.22 2.46 -0.27 -0.83 115.29 126.78 1bwy s HIS 93 Ca 0.16 -1.19 -0.10 0.00 0.47 0.00 0.00 55.06 54.40 1bwy s HIS 93 Cb -0.16 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.16 1bwy s HIS 93 CO 0.12 -0.63 0.14 0.08 -2.47 0.00 0.00 174.74 171.99 1bwy s VAL 94 N 1.42 4.85 -0.88 0.89 1.01 0.02 -0.63 120.40 127.08 1bwy s VAL 94 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1bwy s VAL 94 Cb -0.15 -3.33 0.22 0.00 0.00 0.00 0.00 36.38 33.12 1bwy s VAL 94 CO -0.04 0.24 0.80 -1.58 0.00 0.00 0.00 175.10 174.52 1bwy s GLN 95 N 1.69 3.50 0.26 2.72 0.74 0.79 -0.67 119.66 128.69 1bwy s GLN 95 Ca 0.06 -2.82 -0.24 0.00 0.05 0.00 0.00 55.36 52.41 1bwy s GLN 95 Cb -0.16 -4.25 -0.09 0.00 1.10 0.00 0.00 33.01 29.62 1bwy s GLN 95 CO 0.08 -1.25 0.85 0.21 -0.55 0.00 0.00 175.29 174.62 1bwy s LYS 96 N -0.52 4.51 0.14 1.67 2.20 -1.21 -0.36 119.74 126.17 1bwy s LYS 96 Ca 0.23 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 1bwy s LYS 96 Cb -0.11 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1bwy s LYS 96 CO -0.08 0.39 0.00 -2.67 -0.36 0.00 0.00 175.35 172.63 1bwy n TRP 97 N 0.90 -0.70 0.00 4.03 2.14 -1.01 -0.45 117.44 122.34 1bwy n TRP 97 Ca -0.01 0.12 0.00 0.00 2.07 0.00 0.00 57.50 59.68 1bwy n TRP 97 Cb 0.50 0.17 0.00 0.00 -0.81 0.00 0.00 31.31 31.17 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 -3.45 0.00 0.23 -0.67 6.94 -1.26 -4.78 115.26 112.27 1bwy n ASN 98 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 1bwy n ASN 98 Cb 0.03 0.00 0.52 0.00 -2.36 0.00 0.00 39.78 37.97 1bwy n ASN 98 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1bwy h GLY 99 N 0.00 0.00 -2.18 4.83 0.00 -2.03 -3.44 103.07 100.25 1bwy h GLY 99 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1bwy h GLY 99 CO 0.00 0.00 -0.54 1.20 0.00 0.00 0.00 176.54 177.20 1bwy s GLN 100 N -3.70 1.55 0.34 4.80 1.11 -1.26 -5.18 119.66 117.32 1bwy s GLN 100 Ca 0.00 -1.88 0.04 0.00 0.01 0.00 0.00 55.36 53.54 1bwy s GLN 100 Cb 0.10 0.25 -0.03 0.00 -1.01 0.00 0.00 33.01 32.32 1bwy s GLN 100 CO 0.62 -0.54 0.16 -1.21 0.01 0.00 0.00 175.29 174.33 1bwy s GLU 101 N -3.73 1.72 0.15 2.91 2.02 -1.26 -2.40 118.70 118.11 1bwy s GLU 101 Ca 0.39 -2.01 -0.00 0.00 0.02 0.00 0.00 54.97 53.38 1bwy s GLU 101 Cb 0.04 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1bwy s GLU 101 CO 0.21 -0.48 0.05 -0.08 0.02 0.00 0.00 175.26 174.98 1bwy s THR 102 N -3.45 0.29 -0.04 3.63 -1.32 0.51 -4.91 115.64 110.35 1bwy s THR 102 Ca 0.33 -1.94 0.06 0.00 -1.21 0.00 0.00 61.69 58.93 1bwy s THR 102 Cb 0.04 -2.13 -0.02 0.00 -1.51 0.00 0.00 72.50 68.88 1bwy s THR 102 CO 0.18 -0.42 -0.22 -0.94 -2.21 0.00 0.00 174.62 171.02 1bwy s SER 103 N -3.11 3.40 -0.32 8.08 1.04 0.05 -0.15 113.70 122.70 1bwy s SER 103 Ca 0.26 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 1bwy s SER 103 Cb 0.07 -0.65 0.11 0.00 0.10 0.00 0.00 66.02 65.65 1bwy s SER 103 CO 0.04 0.31 0.13 -1.48 0.98 0.00 0.00 173.24 173.21 1bwy s LEU 104 N -0.52 1.80 0.04 2.42 2.34 0.20 -1.21 118.68 123.75 1bwy s LEU 104 Ca 0.07 -1.72 -0.13 0.00 0.06 0.00 0.00 54.13 52.41 1bwy s LEU 104 Cb -0.11 -0.73 -0.06 0.00 -0.56 0.00 0.00 46.19 44.73 1bwy s LEU 104 CO 0.01 -0.40 0.42 0.54 -1.06 0.00 0.00 176.35 175.86 1bwy s VAL 105 N 1.54 5.04 -0.26 1.48 0.11 -0.28 -1.11 120.40 126.91 1bwy s VAL 105 Ca 0.11 0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 1bwy s VAL 105 Cb -0.18 -3.69 0.08 0.00 -1.53 0.00 0.00 36.38 31.06 1bwy s VAL 105 CO -0.23 0.45 0.05 -0.13 -3.33 0.00 0.00 175.10 171.91 1bwy s ARG 106 N -1.45 0.91 0.01 1.54 0.52 0.67 -0.92 118.95 120.23 1bwy s ARG 106 Ca 0.28 -0.90 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1bwy s ARG 106 Cb -0.16 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 1bwy s ARG 106 CO 0.15 -0.80 -0.11 -2.00 0.02 0.00 0.00 175.30 172.56 1bwy s GLU 107 N 1.62 0.82 -0.16 3.54 2.12 -0.98 -0.51 118.70 125.14 1bwy s GLU 107 Ca 0.03 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1bwy s GLU 107 Cb -0.18 -0.78 0.00 0.00 0.26 0.00 0.00 34.13 33.43 1bwy s GLU 107 CO -0.16 0.20 -0.15 1.41 -0.54 0.00 0.00 175.26 176.02 1bwy s MET 108 N -0.67 3.19 0.33 4.30 -2.45 -1.26 0.17 119.30 122.91 1bwy s MET 108 Ca 0.02 -0.76 0.03 0.00 -1.25 0.00 0.00 55.69 53.73 1bwy s MET 108 Cb -0.06 -2.63 -0.01 0.00 1.25 0.00 0.00 34.83 33.38 1bwy s MET 108 CO 0.00 -0.02 0.09 1.33 1.05 0.00 0.00 175.02 177.47 1bwy n VAL 109 N 4.16 0.00 0.00 10.11 0.24 -1.20 -4.99 118.33 126.66 1bwy n VAL 109 Ca -0.19 -1.85 0.00 0.00 -2.04 0.00 0.00 64.34 60.26 1bwy n VAL 109 Cb 0.51 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.56 0.00 -1.81 -1.34 2.03 -1.26 -2.08 116.55 110.52 1bwy n ASP 110 Ca -0.07 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.24 1bwy n ASP 110 Cb 0.48 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1bwy n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwy n GLY 111 N 0.00 1.18 2.88 0.27 0.00 -1.26 -5.10 105.19 103.16 1bwy n GLY 111 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.80 0.03 -0.48 1.61 1.02 -0.88 -4.64 119.74 115.60 1bwy s LYS 112 Ca 0.21 -0.04 -0.16 0.00 0.02 0.00 0.00 55.97 55.99 1bwy s LYS 112 Cb 0.29 -0.00 0.06 0.00 -0.52 0.00 0.00 37.83 37.66 1bwy s LYS 112 CO -0.09 0.00 0.45 -1.17 -0.92 0.00 0.00 175.35 173.62 1bwy s LEU 113 N -0.09 5.41 -0.57 3.17 0.20 0.64 -3.25 118.68 124.20 1bwy s LEU 113 Ca -0.01 -1.18 -0.28 0.00 0.69 0.00 0.00 54.13 53.35 1bwy s LEU 113 Cb -0.01 -2.25 0.02 0.00 -0.43 0.00 0.00 46.19 43.52 1bwy s LEU 113 CO -0.00 -0.70 1.36 -0.63 -0.29 0.00 0.00 176.35 176.09 1bwy s ILE 114 N 1.91 3.83 -0.75 6.68 1.01 0.13 -0.26 121.20 133.75 1bwy s ILE 114 Ca 0.07 0.71 -0.19 0.00 0.00 0.00 0.00 60.65 61.25 1bwy s ILE 114 Cb -0.23 -4.52 0.12 0.00 0.01 0.00 0.00 42.46 37.85 1bwy s ILE 114 CO 0.08 -1.23 0.91 -0.22 0.00 0.00 0.00 174.94 174.48 1bwy s LEU 115 N 5.81 5.26 -0.35 2.97 0.20 -0.36 -2.33 118.68 129.87 1bwy s LEU 115 Ca 0.50 -1.72 -0.27 0.00 0.69 0.00 0.00 54.13 53.32 1bwy s LEU 115 Cb -0.10 -2.35 0.02 0.00 -0.43 0.00 0.00 46.19 43.33 1bwy s LEU 115 CO 0.25 -1.09 1.01 -0.89 -0.29 0.00 0.00 176.35 175.33 1bwy s THR 116 N 2.63 4.53 -0.35 3.68 2.01 -0.10 -0.36 115.64 127.68 1bwy s THR 116 Ca 0.22 1.46 -0.03 0.00 0.31 0.00 0.00 61.69 63.65 1bwy s THR 116 Cb -0.14 -4.38 0.08 0.00 0.01 0.00 0.00 72.50 68.06 1bwy s THR 116 CO -0.00 -0.53 0.10 -0.76 -0.69 0.00 0.00 174.62 172.74 1bwy s LEU 117 N 3.61 4.55 -0.01 4.42 1.43 0.01 -1.13 118.68 131.56 1bwy s LEU 117 Ca 0.42 -1.61 0.02 0.00 -1.03 0.00 0.00 54.13 51.93 1bwy s LEU 117 Cb -0.12 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1bwy s LEU 117 CO 0.18 -0.39 -0.05 0.28 0.23 0.00 0.00 176.35 176.59 1bwy s THR 118 N 1.21 0.44 -0.12 5.49 -1.32 -0.35 0.12 115.64 121.12 1bwy s THR 118 Ca 0.01 -0.20 0.05 0.00 -1.21 0.00 0.00 61.69 60.35 1bwy s THR 118 Cb -0.21 -0.40 -0.11 0.00 -1.51 0.00 0.00 72.50 70.27 1bwy s THR 118 CO -0.02 0.15 -0.04 1.57 -2.21 0.00 0.00 174.62 174.06 1bwy n HIS 119 N 3.23 0.00 0.00 9.09 -0.00 -0.59 -0.77 115.22 126.18 1bwy n HIS 119 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 1bwy n HIS 119 Cb 0.56 -0.51 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 1bwy n HIS 119 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bwy n GLY 120 N 2.62 0.12 1.33 1.57 0.00 -1.26 -4.82 105.19 104.75 1bwy n GLY 120 Ca -0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1bwy n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwy n THR 121 N 0.00 0.95 -3.50 2.61 -1.04 -1.26 -4.44 114.28 107.60 1bwy n THR 121 Ca 0.00 -0.16 0.02 0.00 -2.04 0.00 0.00 64.05 61.87 1bwy n THR 121 Cb 0.00 -1.06 -0.05 0.00 -1.82 0.00 0.00 70.33 67.39 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bwy s ALA 122 N 0.54 -2.74 -0.04 2.41 0.00 -1.26 -5.11 121.76 115.56 1bwy s ALA 122 Ca 0.00 1.99 0.03 0.00 0.00 0.00 0.00 51.96 53.98 1bwy s ALA 122 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1bwy s ALA 122 CO 0.00 -0.58 -0.12 0.54 0.00 0.00 0.00 175.76 175.59 1bwy s VAL 123 N 1.57 1.08 0.05 0.00 0.11 -1.26 -1.54 120.40 120.41 1bwy s VAL 123 Ca -0.05 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1bwy s VAL 123 Cb -0.03 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1bwy s VAL 123 CO -0.14 0.33 -0.06 0.00 -3.33 0.00 0.00 175.10 171.90 1bwy s THR 125 N -2.40 2.20 -0.45 0.00 -1.32 -1.14 -0.81 115.64 111.72 1bwy s THR 125 Ca -0.03 -1.05 0.01 0.00 -1.21 0.00 0.00 61.69 59.42 1bwy s THR 125 Cb -0.03 -1.78 0.12 0.00 -1.51 0.00 0.00 72.50 69.30 1bwy s THR 125 CO -0.03 0.58 0.21 -0.13 -2.21 0.00 0.00 174.62 173.04 1bwy s ARG 126 N -0.55 1.92 -0.67 7.08 0.52 0.52 -0.86 118.95 126.90 1bwy s ARG 126 Ca 0.08 -2.18 -0.25 0.00 -0.52 0.00 0.00 55.73 52.86 1bwy s ARG 126 Cb -0.11 -3.41 0.05 0.00 0.52 0.00 0.00 34.95 32.00 1bwy s ARG 126 CO -0.00 -1.06 1.11 0.99 0.02 0.00 0.00 175.30 176.36 1bwy s THR 127 N 0.46 4.06 0.51 0.02 2.01 0.56 -1.22 115.64 122.04 1bwy s THR 127 Ca 0.13 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1bwy s THR 127 Cb -0.22 -4.77 0.01 0.00 0.01 0.00 0.00 72.50 67.53 1bwy s THR 127 CO -0.04 -1.58 0.76 -0.31 -0.69 0.00 0.00 174.62 172.75 1bwy s TYR 128 N 4.81 3.14 -0.18 4.92 2.02 0.65 -0.79 117.35 131.93 1bwy s TYR 128 Ca 0.30 0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 57.23 1bwy s TYR 128 Cb -0.12 -2.53 0.06 0.00 -0.40 0.00 0.00 41.96 38.97 1bwy s TYR 128 CO 0.14 -0.61 0.09 -2.00 -1.57 0.00 0.00 175.55 171.60 1bwy s GLU 129 N -4.72 0.14 -0.62 -0.62 2.12 0.67 -0.26 118.70 115.42 1bwy s GLU 129 Ca 0.52 -0.16 -0.26 0.00 0.36 0.00 0.00 54.97 55.43 1bwy s GLU 129 Cb -0.10 -1.82 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 1bwy s GLU 129 CO 0.40 -0.69 2.08 0.21 -0.54 0.00 0.00 175.26 176.72 1bwy s LYS 130 N 2.10 2.38 0.04 4.30 2.20 -1.26 -0.59 119.74 128.90 1bwy s LYS 130 Ca 0.02 0.76 -0.20 0.00 -0.36 0.00 0.00 55.97 56.20 1bwy s LYS 130 Cb -0.16 -4.55 -0.14 0.00 -1.51 0.00 0.00 37.83 31.46 1bwy s LYS 130 CO -0.11 -3.10 1.33 -0.56 -0.36 0.00 0.00 175.35 172.55 1bwy h GLN 131 N 15.93 0.40 0.00 4.03 3.07 -1.37 -3.49 115.11 133.68 1bwy h GLN 131 Ca -0.20 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1bwy h GLN 131 Cb 1.17 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1bwy h GLN 131 CO 1.19 0.80 0.00 0.00 0.09 0.00 0.00 178.83 180.90