#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwy n ASP 2 N 0.00 3.99 0.13 6.55 9.92 -1.26 -2.59 116.55 133.29 1bwy n ASP 2 Ca 0.00 -2.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.03 1bwy n ASP 2 Cb 0.00 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwy n ALA 3 N 2.74 0.90 -0.19 2.24 0.00 -1.26 -4.95 120.51 119.99 1bwy n ALA 3 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.77 1bwy n ALA 3 Cb 0.63 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.18 1bwy n ALA 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bwy h PHE 4 N 0.00 0.23 -0.44 0.00 0.04 -1.89 -3.41 116.94 111.47 1bwy h PHE 4 Ca 0.00 0.03 -0.59 0.00 2.80 0.00 0.00 57.97 60.21 1bwy h PHE 4 Cb 0.00 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 1bwy h PHE 4 CO 0.00 -0.00 1.58 1.55 -0.60 0.00 0.00 178.31 180.84 1bwy n VAL 5 N -5.10 0.02 -1.72 -0.55 3.14 -1.25 -4.64 118.33 108.23 1bwy n VAL 5 Ca 0.08 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1bwy n VAL 5 Cb 0.30 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.02 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 6 N 6.67 -0.02 3.51 7.55 0.00 0.17 -5.00 105.19 118.07 1bwy n GLY 6 Ca 0.55 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1bwy n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s THR 7 N -2.45 3.76 -0.03 2.61 2.01 0.33 -0.30 115.64 121.58 1bwy s THR 7 Ca 0.00 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1bwy s THR 7 Cb 0.00 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1bwy s THR 7 CO 0.00 0.53 -0.17 0.26 -0.69 0.00 0.00 174.62 174.54 1bwy s TRP 8 N 0.03 2.60 -0.13 4.92 0.52 0.04 -0.28 118.94 126.64 1bwy s TRP 8 Ca -0.00 -0.23 -0.14 0.00 0.02 0.00 0.00 56.10 55.75 1bwy s TRP 8 Cb -0.14 -1.57 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 1bwy s TRP 8 CO 0.03 0.15 0.30 0.21 0.02 0.00 0.00 176.95 177.66 1bwy s LYS 9 N -0.83 4.14 0.41 4.98 2.47 0.09 -0.70 119.74 130.31 1bwy s LYS 9 Ca 0.12 0.13 -0.27 0.00 -1.56 0.00 0.00 55.97 54.39 1bwy s LYS 9 Cb -0.10 -3.38 -0.10 0.00 -1.46 0.00 0.00 37.83 32.79 1bwy s LYS 9 CO 0.01 0.35 1.42 -1.17 0.16 0.00 0.00 175.35 176.12 1bwy s LEU 10 N 0.13 4.23 0.03 5.43 0.20 -0.82 -0.53 118.68 127.34 1bwy s LEU 10 Ca 0.18 2.92 0.00 0.00 0.69 0.00 0.00 54.13 57.92 1bwy s LEU 10 Cb -0.13 -3.81 0.00 0.00 -0.43 0.00 0.00 46.19 41.82 1bwy s LEU 10 CO 0.05 -0.97 0.00 0.55 -0.29 0.00 0.00 176.35 175.70 1bwy n VAL 11 N 0.18 0.24 -4.68 1.68 3.14 0.09 -4.84 118.33 114.14 1bwy n VAL 11 Ca 0.03 0.08 -0.33 0.00 -2.96 0.00 0.00 64.34 61.15 1bwy n VAL 11 Cb 0.41 -1.39 -0.12 0.00 -1.06 0.00 0.00 33.84 31.68 1bwy n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bwy s ASP 12 N -5.19 4.44 -0.13 6.55 1.01 -0.87 -4.99 116.67 117.50 1bwy s ASP 12 Ca 0.00 -0.11 -0.21 0.00 0.71 0.00 0.00 52.55 52.94 1bwy s ASP 12 Cb 0.00 -1.21 0.05 0.00 1.01 0.00 0.00 42.92 42.77 1bwy s ASP 12 CO 0.00 0.31 0.54 -0.55 0.21 0.00 0.00 175.17 175.68 1bwy s SER 13 N -0.52 -0.52 -0.09 0.27 0.15 -1.26 -0.73 113.70 110.99 1bwy s SER 13 Ca 0.08 0.80 -0.31 0.00 0.70 0.00 0.00 55.95 57.22 1bwy s SER 13 Cb -0.12 0.81 0.12 0.00 -1.71 0.00 0.00 66.02 65.12 1bwy s SER 13 CO 0.02 -0.35 1.03 -1.59 1.20 0.00 0.00 173.24 173.55 1bwy s LYS 14 N -0.41 0.59 -1.43 5.44 -2.85 -1.25 -5.04 119.74 114.79 1bwy s LYS 14 Ca -0.06 -0.20 -0.04 0.00 -1.00 0.00 0.00 55.97 54.68 1bwy s LYS 14 Cb -0.03 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1bwy s LYS 14 CO 0.04 -0.26 0.47 -1.71 0.10 0.00 0.00 175.35 173.99 1bwy n ASN 15 N -0.13 -5.65 -0.01 0.03 5.15 -1.26 -4.37 115.26 109.02 1bwy n ASN 15 Ca -0.05 -0.22 -0.17 0.00 -0.60 0.00 0.00 54.58 53.54 1bwy n ASN 15 Cb 0.60 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.24 1bwy n ASN 15 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1bwy h PHE 16 N -1.07 0.68 -0.35 1.20 -1.00 -1.95 -3.19 116.94 111.25 1bwy h PHE 16 Ca -0.47 -0.34 0.05 0.00 2.81 0.00 0.00 57.97 60.02 1bwy h PHE 16 Cb 1.33 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 40.75 1bwy h PHE 16 CO 0.48 1.14 0.07 0.22 -1.61 0.00 0.00 178.31 178.60 1bwy h ASP 17 N 0.03 0.01 -0.65 2.17 3.58 -1.91 -0.16 116.42 119.50 1bwy h ASP 17 Ca -0.06 0.06 0.13 0.00 0.42 0.00 0.00 57.03 57.58 1bwy h ASP 17 Cb 1.26 0.08 -0.10 0.00 1.72 0.00 0.00 39.33 42.29 1bwy h ASP 17 CO 0.12 0.04 0.11 -0.78 -2.88 0.00 0.00 179.24 175.85 1bwy h ASP 18 N 0.19 -0.07 0.34 2.28 3.58 -1.94 0.47 116.42 121.27 1bwy h ASP 18 Ca 0.17 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 1bwy h ASP 18 Cb 0.19 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1bwy h ASP 18 CO -0.22 -0.04 -0.29 0.22 -2.88 0.00 0.00 179.24 176.03 1bwy h TYR 19 N 0.22 -0.79 -1.00 0.28 3.20 -1.29 -2.29 116.97 115.32 1bwy h TYR 19 Ca 0.35 0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.45 1bwy h TYR 19 Cb 0.56 0.30 -0.09 0.00 1.54 0.00 0.00 36.73 39.04 1bwy h TYR 19 CO -0.28 -0.43 0.64 1.98 -1.64 0.00 0.00 178.16 178.42 1bwy h MET 20 N -0.65 0.45 -2.84 1.82 1.85 0.28 -3.09 114.93 112.75 1bwy h MET 20 Ca -0.02 -0.03 -0.34 0.00 -0.61 0.00 0.00 59.70 58.70 1bwy h MET 20 Cb 0.58 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.50 1bwy h MET 20 CO -0.03 0.30 1.74 1.17 -0.40 0.00 0.00 176.91 179.69 1bwy n LYS 21 N -4.62 2.20 0.00 0.39 4.81 0.15 -0.43 118.16 120.66 1bwy n LYS 21 Ca 0.23 -1.32 0.00 0.00 -0.87 0.00 0.00 58.31 56.35 1bwy n LYS 21 Cb 0.77 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1bwy n LYS 21 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1bwy n SER 22 N 3.40 0.00 0.14 3.14 3.41 -1.18 -4.96 113.62 117.57 1bwy n SER 22 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1bwy n SER 22 Cb 0.38 0.02 0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1bwy n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1bwy h LEU 23 N 0.00 0.00 1.61 1.04 3.38 -1.39 -3.48 115.31 116.47 1bwy h LEU 23 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1bwy h LEU 23 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1bwy h LEU 23 CO 0.00 0.61 -0.30 0.61 0.09 0.00 0.00 178.44 179.45 1bwy n GLY 24 N 0.63 -0.03 0.53 0.83 0.00 0.42 -4.90 105.19 102.68 1bwy n GLY 24 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1bwy n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bwy n VAL 25 N -3.92 0.92 -0.03 1.61 3.14 -1.26 -4.94 118.33 113.84 1bwy n VAL 25 Ca -0.14 -0.13 -0.07 0.00 -2.96 0.00 0.00 64.34 61.04 1bwy n VAL 25 Cb 0.59 -1.75 -0.04 0.00 -1.06 0.00 0.00 33.84 31.57 1bwy n VAL 25 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1bwy h GLY 26 N -0.54 -1.43 0.00 7.55 0.00 -1.91 -3.43 103.07 103.31 1bwy h GLY 26 Ca -0.32 0.72 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1bwy h GLY 26 CO -0.20 -0.44 0.00 0.69 0.00 0.00 0.00 176.54 176.60 1bwy n PHE 27 N -3.88 0.00 0.18 5.60 3.72 -1.26 0.06 117.46 121.88 1bwy n PHE 27 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1bwy n PHE 27 Cb 0.16 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bwy h ALA 28 N 0.00 -0.46 -0.77 4.37 0.00 -2.00 -0.18 119.26 120.23 1bwy h ALA 28 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bwy h ALA 28 Cb 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1bwy h ALA 28 CO 0.00 -0.77 0.50 1.15 0.00 0.00 0.00 179.25 180.13 1bwy h THR 29 N -0.47 1.06 0.10 0.00 2.02 -0.68 -0.68 112.91 114.25 1bwy h THR 29 Ca -0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1bwy h THR 29 Cb 0.42 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1bwy h THR 29 CO -0.01 0.16 -0.05 -0.09 0.37 0.00 0.00 175.52 175.90 1bwy h ARG 30 N 0.85 -0.12 -0.28 6.66 1.12 -0.35 0.28 114.38 122.54 1bwy h ARG 30 Ca 0.32 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.18 1bwy h ARG 30 Cb 0.19 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1bwy h ARG 30 CO -0.11 0.13 0.10 -0.56 -3.11 0.00 0.00 179.97 176.42 1bwy h GLN 31 N -0.37 0.43 -0.67 0.20 -0.00 -0.74 -1.83 115.11 112.14 1bwy h GLN 31 Ca -0.01 -0.09 0.14 0.00 -0.00 0.00 0.00 58.65 58.69 1bwy h GLN 31 Cb 0.31 -0.06 -0.12 0.00 -0.00 0.00 0.00 27.48 27.60 1bwy h GLN 31 CO 0.02 0.48 -0.12 0.28 -0.00 0.00 0.00 178.83 179.50 1bwy h VAL 32 N 0.30 0.36 -0.51 1.86 2.07 -1.12 -0.23 116.25 118.98 1bwy h VAL 32 Ca 0.09 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.75 1bwy h VAL 32 Cb 0.22 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1bwy h VAL 32 CO -0.00 0.01 0.81 1.23 0.02 0.00 0.00 177.57 179.63 1bwy h GLY 33 N 0.03 0.00 -5.11 2.17 0.00 0.44 0.17 103.07 100.78 1bwy h GLY 33 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.40 1bwy h GLY 33 CO -0.66 0.00 -1.08 1.16 0.00 0.00 0.00 176.54 175.96 1bwy n ASN 34 N -3.21 1.86 0.14 0.19 0.23 -0.18 -4.89 115.26 109.41 1bwy n ASN 34 Ca 0.11 -2.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 1bwy n ASN 34 Cb 0.99 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1bwy n ASN 34 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1bwy n MET 35 N -0.55 0.00 -2.71 -3.83 1.56 0.11 -5.02 117.12 106.68 1bwy n MET 35 Ca 0.11 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.23 1bwy n MET 35 Cb 0.84 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 36.19 1bwy n MET 35 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1bwy n THR 36 N -3.11 3.47 -3.88 1.12 -1.04 0.37 -4.95 114.28 106.27 1bwy n THR 36 Ca 0.00 -5.41 -0.30 0.00 -2.04 0.00 0.00 64.05 56.30 1bwy n THR 36 Cb 0.00 -1.38 0.01 0.00 -1.82 0.00 0.00 70.33 67.14 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bwy n LYS 37 N -0.29 -0.57 -1.63 -2.82 5.02 -1.26 -4.75 118.16 111.85 1bwy n LYS 37 Ca 0.37 -0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 56.19 1bwy n LYS 37 Cb 0.42 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1bwy n LYS 37 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bwy n PRO 38 N -3.44 2.44 -4.24 1.97 -0.04 -1.26 -4.84 135.00 125.59 1bwy n PRO 38 Ca -0.10 0.83 -0.24 0.00 -0.04 0.00 0.00 63.50 63.95 1bwy n PRO 38 Cb 0.39 -3.03 -0.07 0.00 -0.04 0.00 0.00 33.50 30.74 1bwy n PRO 38 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1bwy s THR 39 N 5.84 3.67 -0.28 0.52 -4.23 -1.03 -1.95 115.64 118.18 1bwy s THR 39 Ca 0.94 -1.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1bwy s THR 39 Cb -0.44 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 70.62 1bwy s THR 39 CO 0.41 -0.26 0.31 -0.89 -0.54 0.00 0.00 174.62 173.65 1bwy s THR 40 N -2.05 -0.45 0.12 3.99 2.01 0.13 -0.53 115.64 118.85 1bwy s THR 40 Ca 0.30 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 1bwy s THR 40 Cb -0.08 -0.95 -0.10 0.00 0.01 0.00 0.00 72.50 71.39 1bwy s THR 40 CO 0.20 -0.39 1.70 -0.63 -0.69 0.00 0.00 174.62 174.81 1bwy s ILE 41 N 2.40 2.70 -0.24 1.82 1.01 -0.93 -0.78 121.20 127.18 1bwy s ILE 41 Ca 0.09 0.29 0.01 0.00 0.00 0.00 0.00 60.65 61.05 1bwy s ILE 41 Cb -0.14 -3.18 0.06 0.00 0.01 0.00 0.00 42.46 39.21 1bwy s ILE 41 CO -0.30 0.01 -0.07 -0.63 0.00 0.00 0.00 174.94 173.95 1bwy s ILE 42 N 2.27 1.73 -0.26 2.92 -1.09 0.59 -0.56 121.20 126.80 1bwy s ILE 42 Ca 0.76 -1.35 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1bwy s ILE 42 Cb -0.44 -1.95 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 1bwy s ILE 42 CO 0.33 -0.07 -0.00 -1.61 -1.23 0.00 0.00 174.94 172.36 1bwy s GLU 43 N 1.30 3.03 0.04 2.79 2.02 0.36 -0.66 118.70 127.59 1bwy s GLU 43 Ca -0.07 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.75 1bwy s GLU 43 Cb -0.19 -3.13 -0.08 0.00 0.10 0.00 0.00 34.13 30.82 1bwy s GLU 43 CO -0.06 -0.38 1.72 0.54 0.02 0.00 0.00 175.26 177.10 1bwy s VAL 44 N 1.42 3.09 0.33 2.63 0.11 -1.26 -0.35 120.40 126.37 1bwy s VAL 44 Ca 0.02 0.42 0.07 0.00 -2.93 0.00 0.00 61.98 59.56 1bwy s VAL 44 Cb -0.16 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.40 1bwy s VAL 44 CO -0.02 -0.01 0.35 0.21 -3.33 0.00 0.00 175.10 172.30 1bwy s ASN 45 N 2.93 5.54 0.19 3.54 2.47 0.61 -4.90 114.94 125.32 1bwy s ASN 45 Ca 0.77 -0.38 -0.14 0.00 0.42 0.00 0.00 52.86 53.53 1bwy s ASN 45 Cb -0.40 -1.09 0.22 0.00 -1.45 0.00 0.00 41.25 38.54 1bwy s ASN 45 CO 0.34 -0.37 1.27 0.61 -3.72 0.00 0.00 177.10 175.23 1bwy n GLY 46 N -1.46 -1.66 0.16 1.21 0.00 -1.26 -2.79 105.19 99.40 1bwy n GLY 46 Ca -0.02 0.91 -0.14 0.00 0.00 0.00 0.00 46.02 46.78 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 -5.22 2.37 -2.20 1.61 5.75 -1.26 -5.10 116.55 112.50 1bwy n ASP 47 Ca 0.09 -0.02 -0.01 0.00 -0.01 0.00 0.00 54.79 54.83 1bwy n ASP 47 Cb 0.34 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1bwy n ASP 47 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bwy n THR 48 N -3.18 0.00 -4.69 2.12 -2.24 -1.12 -4.92 114.28 100.25 1bwy n THR 48 Ca -0.32 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 1bwy n THR 48 Cb 0.81 -0.90 -0.16 0.00 -2.10 0.00 0.00 70.33 67.98 1bwy n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bwy s VAL 49 N 0.63 1.24 -0.06 2.28 0.11 0.72 -0.28 120.40 125.03 1bwy s VAL 49 Ca 0.04 -0.59 -0.18 0.00 -2.93 0.00 0.00 61.98 58.32 1bwy s VAL 49 Cb -0.00 -1.09 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1bwy s VAL 49 CO 0.02 0.37 0.50 -0.63 -3.33 0.00 0.00 175.10 172.04 1bwy s ILE 50 N 0.27 5.08 -0.23 7.04 1.01 0.52 -0.82 121.20 134.07 1bwy s ILE 50 Ca -0.08 1.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.51 1bwy s ILE 50 Cb -0.13 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1bwy s ILE 50 CO 0.03 0.39 0.14 -0.51 0.00 0.00 0.00 174.94 174.99 1bwy s ILE 51 N 0.11 5.14 -0.35 2.92 2.07 0.17 -0.49 121.20 130.77 1bwy s ILE 51 Ca 0.27 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.61 1bwy s ILE 51 Cb -0.16 -3.39 0.09 0.00 0.13 0.00 0.00 42.46 39.13 1bwy s ILE 51 CO 0.13 0.36 0.09 -0.54 -1.91 0.00 0.00 174.94 173.07 1bwy s LYS 52 N 1.06 2.00 -0.13 3.50 -0.14 0.27 -0.93 119.74 125.36 1bwy s LYS 52 Ca 0.07 -1.66 -0.29 0.00 -1.36 0.00 0.00 55.97 52.73 1bwy s LYS 52 Cb -0.14 -3.34 -0.01 0.00 -1.68 0.00 0.00 37.83 32.66 1bwy s LYS 52 CO 0.04 -0.89 0.99 0.99 -0.76 0.00 0.00 175.35 175.72 1bwy s THR 53 N 1.11 4.78 -0.27 2.17 2.01 0.51 -2.19 115.64 123.76 1bwy s THR 53 Ca 0.04 1.99 -0.17 0.00 0.31 0.00 0.00 61.69 63.87 1bwy s THR 53 Cb -0.21 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 1bwy s THR 53 CO -0.04 -0.02 0.46 -1.10 -0.69 0.00 0.00 174.62 173.22 1bwy s GLN 54 N 2.20 4.02 -0.20 4.92 1.11 0.31 -2.34 119.66 129.68 1bwy s GLN 54 Ca 0.46 0.18 0.21 0.00 0.01 0.00 0.00 55.36 56.23 1bwy s GLN 54 Cb -0.18 -3.66 0.48 0.00 -1.01 0.00 0.00 33.01 28.64 1bwy s GLN 54 CO 0.15 -0.34 1.14 0.45 0.01 0.00 0.00 175.29 176.71 1bwy n SER 55 N 5.47 1.83 -2.50 5.90 2.88 -0.85 -2.48 113.62 123.87 1bwy n SER 55 Ca -0.06 -2.31 -0.05 0.00 -1.33 0.00 0.00 58.87 55.12 1bwy n SER 55 Cb 0.50 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1bwy n SER 55 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1bwy n THR 56 N -0.36-12.55 0.00 2.46 -1.04 -1.26 -3.96 114.28 97.57 1bwy n THR 56 Ca 0.12 2.72 0.00 0.00 -2.04 0.00 0.00 64.05 64.85 1bwy n THR 56 Cb 0.90 -6.36 0.00 0.00 -1.82 0.00 0.00 70.33 63.05 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 1.64 0.00 -2.41 -1.42 7.35 -1.26 -4.86 117.46 116.50 1bwy n PHE 57 Ca -0.36 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 55.96 1bwy n PHE 57 Cb 0.56 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.36 1bwy n PHE 57 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1bwy s LYS 58 N 0.00 4.00 0.37 -4.13 0.00 -1.25 -5.06 119.74 113.67 1bwy s LYS 58 Ca 0.00 1.64 0.05 0.00 0.00 0.00 0.00 55.97 57.66 1bwy s LYS 58 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 37.83 35.30 1bwy s LYS 58 CO 0.00 -0.31 0.18 -0.80 0.00 0.00 0.00 175.35 174.42 1bwy s ASN 59 N -1.45 2.31 0.19 0.03 0.02 -1.26 -2.00 114.94 112.78 1bwy s ASN 59 Ca 0.60 -1.70 -0.19 0.00 -1.02 0.00 0.00 52.86 50.55 1bwy s ASN 59 Cb -0.25 0.53 0.04 0.00 0.02 0.00 0.00 41.25 41.59 1bwy s ASN 59 CO 0.31 -0.98 0.56 0.42 0.02 0.00 0.00 177.10 177.43 1bwy s THR 60 N -3.33 0.02 0.01 1.60 -4.23 -0.99 -4.96 115.64 103.77 1bwy s THR 60 Ca 0.30 -0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 60.21 1bwy s THR 60 Cb 0.03 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.42 1bwy s THR 60 CO 0.19 -0.09 0.03 -1.83 -0.54 0.00 0.00 174.62 172.38 1bwy s GLU 61 N -3.84 0.36 -0.02 3.99 4.04 -1.26 -0.36 118.70 121.61 1bwy s GLU 61 Ca 0.07 -0.52 -0.00 0.00 0.04 0.00 0.00 54.97 54.55 1bwy s GLU 61 Cb -0.01 0.14 0.02 0.00 0.02 0.00 0.00 34.13 34.30 1bwy s GLU 61 CO -0.05 -0.07 0.03 0.42 -1.84 0.00 0.00 175.26 173.75 1bwy s ILE 62 N -1.39 -0.04 -0.22 1.83 -1.09 -0.11 -4.90 121.20 115.27 1bwy s ILE 62 Ca -0.15 0.13 -0.14 0.00 -2.23 0.00 0.00 60.65 58.26 1bwy s ILE 62 Cb -0.09 -0.07 -0.04 0.00 -1.58 0.00 0.00 42.46 40.68 1bwy s ILE 62 CO -0.00 0.05 0.30 -0.94 -1.23 0.00 0.00 174.94 173.12 1bwy s SER 63 N 0.66 6.29 0.06 3.58 1.04 -1.26 -0.65 113.70 123.42 1bwy s SER 63 Ca -0.05 0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 1bwy s SER 63 Cb -0.08 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 1bwy s SER 63 CO -0.02 -0.03 -0.04 0.72 0.98 0.00 0.00 173.24 174.85 1bwy s PHE 64 N 1.28 0.63 -0.11 5.02 -0.12 0.00 -4.97 117.98 119.71 1bwy s PHE 64 Ca 0.14 -0.99 -0.02 0.00 -0.05 0.00 0.00 56.93 56.01 1bwy s PHE 64 Cb -0.14 -0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1bwy s PHE 64 CO 0.07 -0.30 -0.04 0.21 -0.05 0.00 0.00 175.22 175.11 1bwy s LYS 65 N -3.77 3.20 -0.82 1.99 2.47 -1.26 -0.20 119.74 121.35 1bwy s LYS 65 Ca 0.07 -0.51 -0.16 0.00 -1.56 0.00 0.00 55.97 53.81 1bwy s LYS 65 Cb 0.06 -2.77 -0.12 0.00 -1.46 0.00 0.00 37.83 33.54 1bwy s LYS 65 CO -0.08 0.49 1.98 1.47 0.16 0.00 0.00 175.35 179.37 1bwy n LEU 66 N 2.78 4.36 0.00 5.43 -0.00 -1.26 -3.65 117.00 124.66 1bwy n LEU 66 Ca -0.18 -2.89 0.00 0.00 -0.00 0.00 0.00 56.01 52.94 1bwy n LEU 66 Cb 0.53 -1.11 0.00 0.00 -0.00 0.00 0.00 43.42 42.84 1bwy n LEU 66 CO 0.30 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.26 1bwy n GLY 67 N 4.27 -0.34 3.68 1.47 0.00 -0.83 -4.47 105.19 108.97 1bwy n GLY 67 Ca 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 0.16 1.61 0.11 -0.00 -4.98 120.40 117.30 1bwy s VAL 68 Ca 0.00 -0.42 0.07 0.00 -2.93 0.00 0.00 61.98 58.70 1bwy s VAL 68 Cb 0.00 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1bwy s VAL 68 CO 0.00 0.00 -0.14 -1.83 -3.33 0.00 0.00 175.10 169.80 1bwy s GLU 69 N -2.88 1.18 -0.11 1.54 -1.05 -1.26 -0.57 118.70 115.55 1bwy s GLU 69 Ca 0.13 -1.42 -0.30 0.00 -0.15 0.00 0.00 54.97 53.23 1bwy s GLU 69 Cb 0.01 -1.01 0.12 0.00 -0.44 0.00 0.00 34.13 32.81 1bwy s GLU 69 CO -0.01 0.18 0.94 -0.59 0.95 0.00 0.00 175.26 176.73 1bwy s PHE 70 N -2.58 -0.39 0.15 4.83 -0.71 0.17 -4.99 117.98 114.45 1bwy s PHE 70 Ca 0.16 0.59 -0.30 0.00 -1.04 0.00 0.00 56.93 56.33 1bwy s PHE 70 Cb -0.03 0.47 -0.07 0.00 -1.21 0.00 0.00 43.02 42.18 1bwy s PHE 70 CO 0.05 -0.41 1.23 0.34 -1.34 0.00 0.00 175.22 175.08 1bwy s ASP 71 N -1.43 7.03 0.04 1.98 -1.08 -1.26 -0.85 116.67 121.10 1bwy s ASP 71 Ca -0.01 2.21 -0.01 0.00 -0.52 0.00 0.00 52.55 54.21 1bwy s ASP 71 Cb -0.01 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.83 1bwy s ASP 71 CO 0.00 -0.45 -0.01 -0.70 0.52 0.00 0.00 175.17 174.54 1bwy s GLU 72 N 0.27 0.51 -0.11 4.34 2.12 0.64 -4.90 118.70 121.57 1bwy s GLU 72 Ca 0.56 -0.94 -0.20 0.00 0.36 0.00 0.00 54.97 54.75 1bwy s GLU 72 Cb -0.33 0.18 0.05 0.00 0.26 0.00 0.00 34.13 34.29 1bwy s GLU 72 CO 0.34 -0.10 0.49 -0.08 -0.54 0.00 0.00 175.26 175.38 1bwy s THR 73 N -2.88 0.02 -0.01 -1.70 -1.32 -1.26 -0.80 115.64 107.68 1bwy s THR 73 Ca -0.03 -0.14 -0.27 0.00 -1.21 0.00 0.00 61.69 60.05 1bwy s THR 73 Cb 0.00 -0.75 0.06 0.00 -1.51 0.00 0.00 72.50 70.30 1bwy s THR 73 CO -0.06 -0.08 0.60 0.28 -2.21 0.00 0.00 174.62 173.15 1bwy s THR 74 N -0.53 0.01 -1.36 5.08 -1.32 0.16 -4.97 115.64 112.71 1bwy s THR 74 Ca -0.07 -0.11 -0.13 0.00 -1.21 0.00 0.00 61.69 60.18 1bwy s THR 74 Cb -0.03 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1bwy s THR 74 CO 0.04 -0.06 2.42 0.00 -2.21 0.00 0.00 174.62 174.81 1bwy n ALA 75 N 0.77 5.83 0.00 11.08 0.00 -1.26 -0.51 120.51 136.42 1bwy n ALA 75 Ca -0.19 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.78 1bwy n ALA 75 Cb 0.58 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.59 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 5.23 0.00 0.00 0.00 5.68 -1.26 -4.91 116.55 121.29 1bwy n ASP 76 Ca 0.60 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 55.03 1bwy n ASP 76 Cb 0.31 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.10 1bwy n ASP 76 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1bwy n ASP 77 N 0.00 0.00 0.00 -1.12 2.03 -1.16 -4.76 116.55 111.54 1bwy n ASP 77 Ca 0.00 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.64 1bwy n ASP 77 Cb 0.00 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bwy n ARG 78 N -1.08 0.00 -2.75 -0.67 1.74 0.33 -4.56 116.66 109.67 1bwy n ARG 78 Ca 0.19 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.87 1bwy n ARG 78 Cb 0.13 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.51 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 4.84 0.24 5.56 2.20 -1.26 -0.66 119.74 130.66 1bwy s LYS 79 Ca 0.00 1.48 -0.21 0.00 -0.36 0.00 0.00 55.97 56.88 1bwy s LYS 79 Cb 0.00 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1bwy s LYS 79 CO 0.00 0.51 0.67 0.54 -0.36 0.00 0.00 175.35 176.71 1bwy s VAL 80 N -1.20 0.00 -0.17 4.02 0.11 0.02 -4.84 120.40 118.34 1bwy s VAL 80 Ca 0.42 -0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1bwy s VAL 80 Cb -0.26 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1bwy s VAL 80 CO 0.32 -0.00 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.45 1bwy s LYS 81 N -3.87 3.40 -0.02 1.54 1.02 0.88 -0.26 119.74 122.43 1bwy s LYS 81 Ca 0.08 -0.65 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 1bwy s LYS 81 Cb -0.04 -2.79 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 1bwy s LYS 81 CO 0.01 0.06 0.54 -1.12 -0.92 0.00 0.00 175.35 173.92 1bwy s SER 82 N 0.78 6.89 -0.16 2.83 0.01 -0.03 -0.48 113.70 123.54 1bwy s SER 82 Ca -0.04 1.06 -0.01 0.00 1.31 0.00 0.00 55.95 58.28 1bwy s SER 82 Cb -0.15 -2.33 0.04 0.00 0.21 0.00 0.00 66.02 63.79 1bwy s SER 82 CO 0.01 0.13 -0.05 -0.51 0.41 0.00 0.00 173.24 173.23 1bwy s ILE 83 N -0.22 1.09 -0.05 1.44 2.07 -0.13 -0.66 121.20 124.74 1bwy s ILE 83 Ca 0.29 -0.58 0.04 0.00 -1.41 0.00 0.00 60.65 58.99 1bwy s ILE 83 Cb -0.17 -1.25 -0.00 0.00 0.13 0.00 0.00 42.46 41.16 1bwy s ILE 83 CO 0.15 0.15 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.47 1bwy s VAL 84 N 1.65 1.52 -0.03 4.00 1.01 0.27 -0.55 120.40 128.27 1bwy s VAL 84 Ca 0.01 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1bwy s VAL 84 Cb -0.15 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.99 1bwy s VAL 84 CO -0.08 0.44 0.68 -0.89 0.00 0.00 0.00 175.10 175.25 1bwy s THR 85 N 0.08 0.00 0.29 3.92 2.01 -0.49 -0.82 115.64 120.63 1bwy s THR 85 Ca -0.06 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 1bwy s THR 85 Cb -0.13 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 1bwy s THR 85 CO 0.03 0.00 0.61 -1.48 -0.69 0.00 0.00 174.62 173.09 1bwy s LEU 86 N -1.33 4.07 0.60 4.42 0.05 -1.26 -0.49 118.68 124.74 1bwy s LEU 86 Ca -0.10 0.96 0.09 0.00 0.05 0.00 0.00 54.13 55.12 1bwy s LEU 86 Cb -0.00 -3.76 0.10 0.00 -2.05 0.00 0.00 46.19 40.48 1bwy s LEU 86 CO 0.08 -0.17 0.82 1.51 -0.55 0.00 0.00 176.35 178.04 1bwy s ASP 87 N -2.67 4.99 0.00 1.48 1.47 0.03 -4.89 116.67 117.08 1bwy s ASP 87 Ca 0.48 -0.83 0.00 0.00 1.18 0.00 0.00 52.55 53.38 1bwy s ASP 87 Cb -0.11 0.32 0.00 0.00 -0.34 0.00 0.00 42.92 42.80 1bwy s ASP 87 CO 0.24 -1.43 0.00 0.61 0.68 0.00 0.00 175.17 175.28 1bwy n GLY 88 N -2.32 0.00 2.73 2.12 0.00 -1.26 -2.60 105.19 103.86 1bwy n GLY 88 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.95 0.31 3.60 -0.02 0.00 -1.26 -5.13 105.19 101.74 1bwy n GLY 89 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1bwy n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s LYS 90 N 0.33 0.38 -0.04 1.61 -2.85 -1.07 -4.88 119.74 113.22 1bwy s LYS 90 Ca 0.24 0.10 -0.23 0.00 -1.00 0.00 0.00 55.97 55.08 1bwy s LYS 90 Cb 0.28 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 1bwy s LYS 90 CO -0.10 -0.12 0.68 -0.48 0.10 0.00 0.00 175.35 175.43 1bwy s LEU 91 N -1.06 4.35 -0.33 2.77 0.05 -0.15 -0.79 118.68 123.52 1bwy s LEU 91 Ca 0.02 1.20 -0.04 0.00 0.05 0.00 0.00 54.13 55.37 1bwy s LEU 91 Cb -0.01 -3.06 0.06 0.00 -2.05 0.00 0.00 46.19 41.13 1bwy s LEU 91 CO -0.02 -0.05 0.07 -0.69 -0.55 0.00 0.00 176.35 175.11 1bwy s VAL 92 N 0.50 3.36 -0.47 1.48 1.01 0.36 -0.66 120.40 125.98 1bwy s VAL 92 Ca 0.36 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 1bwy s VAL 92 Cb -0.18 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.27 1bwy s VAL 92 CO 0.18 -0.23 0.56 -2.28 0.00 0.00 0.00 175.10 173.34 1bwy s HIS 93 N 1.30 3.10 -0.11 5.22 5.04 -0.13 -1.39 115.29 128.31 1bwy s HIS 93 Ca -0.02 -0.43 -0.17 0.00 -1.54 0.00 0.00 55.06 52.90 1bwy s HIS 93 Cb -0.20 -3.31 -0.05 0.00 0.04 0.00 0.00 32.58 29.07 1bwy s HIS 93 CO 0.00 -0.90 0.42 0.08 -2.34 0.00 0.00 174.74 172.00 1bwy s VAL 94 N 2.47 5.19 -0.32 0.89 1.01 0.29 -0.15 120.40 129.78 1bwy s VAL 94 Ca 0.15 0.84 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1bwy s VAL 94 Cb -0.18 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.53 1bwy s VAL 94 CO 0.13 0.38 0.03 -1.58 0.00 0.00 0.00 175.10 174.06 1bwy s GLN 95 N 0.35 1.47 -0.25 2.72 2.00 0.23 -0.96 119.66 125.22 1bwy s GLN 95 Ca 0.23 -1.63 -0.01 0.00 -2.00 0.00 0.00 55.36 51.95 1bwy s GLN 95 Cb -0.15 -2.95 0.03 0.00 0.80 0.00 0.00 33.01 30.74 1bwy s GLN 95 CO 0.09 -0.88 -0.06 0.21 -0.50 0.00 0.00 175.29 174.15 1bwy s LYS 96 N 1.06 2.76 -0.08 1.67 2.20 0.36 -0.66 119.74 127.05 1bwy s LYS 96 Ca 0.07 -1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 54.55 1bwy s LYS 96 Cb -0.19 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 1bwy s LYS 96 CO -0.10 -0.43 -0.20 -2.67 -0.36 0.00 0.00 175.35 171.59 1bwy n TRP 97 N 4.65 0.00 -3.18 4.03 2.14 -1.20 -0.09 117.44 123.80 1bwy n TRP 97 Ca -0.16 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.43 1bwy n TRP 97 Cb 0.46 -0.29 -0.02 0.00 -0.81 0.00 0.00 31.31 30.66 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 -5.51 -1.23 -1.81 -0.67 4.22 -1.26 -4.85 114.94 103.83 1bwy s ASN 98 Ca -0.17 0.53 0.00 0.00 -2.14 0.00 0.00 52.86 51.09 1bwy s ASN 98 Cb 0.02 1.98 0.00 0.00 1.28 0.00 0.00 41.25 44.53 1bwy s ASN 98 CO 0.25 -0.28 0.00 0.61 -2.04 0.00 0.00 177.10 175.63 1bwy n GLY 99 N 5.42 0.66 3.62 0.45 0.00 -1.26 -4.89 105.19 109.18 1bwy n GLY 99 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.31 0.41 0.16 1.61 -2.07 -1.26 -5.18 119.66 109.01 1bwy s GLN 100 Ca 0.00 -0.21 -0.20 0.00 -1.82 0.00 0.00 55.36 53.13 1bwy s GLN 100 Cb 0.00 0.15 0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1bwy s GLN 100 CO 0.00 -0.18 0.53 -1.83 -1.32 0.00 0.00 175.29 172.48 1bwy s GLU 101 N -2.46 1.24 0.10 9.60 -1.05 -1.26 -3.23 118.70 121.64 1bwy s GLU 101 Ca 0.13 -0.62 0.09 0.00 -0.15 0.00 0.00 54.97 54.42 1bwy s GLU 101 Cb 0.03 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 34.23 1bwy s GLU 101 CO -0.04 -0.52 -0.22 0.95 0.95 0.00 0.00 175.26 176.38 1bwy s THR 102 N -3.79 1.80 0.00 1.83 -4.23 0.17 -4.37 115.64 107.06 1bwy s THR 102 Ca 0.03 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 58.79 1bwy s THR 102 Cb -0.00 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1bwy s THR 102 CO -0.11 -0.00 0.61 -0.94 -0.54 0.00 0.00 174.62 173.64 1bwy s SER 103 N -1.85 7.00 -0.51 3.99 1.04 0.17 -0.60 113.70 122.93 1bwy s SER 103 Ca 0.08 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.73 1bwy s SER 103 Cb -0.10 -2.37 0.14 0.00 0.10 0.00 0.00 66.02 63.79 1bwy s SER 103 CO 0.04 0.10 0.30 -0.76 0.98 0.00 0.00 173.24 173.90 1bwy s LEU 104 N -0.21 3.60 -0.18 2.42 1.02 0.79 -2.85 118.68 123.26 1bwy s LEU 104 Ca 0.32 -3.01 -0.08 0.00 0.02 0.00 0.00 54.13 51.38 1bwy s LEU 104 Cb -0.18 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1bwy s LEU 104 CO 0.18 -0.22 0.07 0.54 0.02 0.00 0.00 176.35 176.94 1bwy s VAL 105 N -0.22 4.87 -0.02 -1.59 0.11 -0.82 -0.96 120.40 121.77 1bwy s VAL 105 Ca 0.19 -0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1bwy s VAL 105 Cb -0.20 -3.20 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 1bwy s VAL 105 CO -0.04 0.46 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.92 1bwy s ARG 106 N 0.37 1.26 0.06 1.54 0.52 0.16 -1.19 118.95 121.67 1bwy s ARG 106 Ca 0.04 -0.49 -0.22 0.00 -0.52 0.00 0.00 55.73 54.54 1bwy s ARG 106 Cb -0.12 -1.17 0.05 0.00 0.52 0.00 0.00 34.95 34.23 1bwy s ARG 106 CO -0.00 0.25 0.50 -2.00 0.02 0.00 0.00 175.30 174.08 1bwy s GLU 107 N -0.14 1.04 -0.39 3.54 2.56 -1.16 -0.97 118.70 123.17 1bwy s GLU 107 Ca 0.02 -0.29 -0.17 0.00 0.00 0.00 0.00 54.97 54.53 1bwy s GLU 107 Cb -0.07 0.47 0.01 0.00 2.00 0.00 0.00 34.13 36.53 1bwy s GLU 107 CO 0.00 -0.38 0.42 1.41 -0.56 0.00 0.00 175.26 176.15 1bwy s MET 108 N -2.60 3.31 0.10 4.30 -2.45 -1.26 -0.65 119.30 120.05 1bwy s MET 108 Ca -0.04 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.82 1bwy s MET 108 Cb -0.01 -3.89 -0.00 0.00 1.25 0.00 0.00 34.83 32.18 1bwy s MET 108 CO -0.03 -0.72 0.00 1.33 1.05 0.00 0.00 175.02 176.66 1bwy n VAL 109 N 5.37 0.00 0.00 10.11 0.24 -1.13 -4.96 118.33 127.95 1bwy n VAL 109 Ca -0.08 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1bwy n VAL 109 Cb 0.48 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.20 0.00 -1.41 -1.34 2.03 -1.26 -1.53 116.55 111.84 1bwy n ASP 110 Ca -0.04 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.30 1bwy n ASP 110 Cb 0.13 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.93 3.25 0.27 0.00 -1.26 -5.10 105.19 103.28 1bwy n GLY 111 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1bwy n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 112 N 0.00 0.58 -0.39 1.61 1.02 -0.58 -4.68 119.74 117.30 1bwy s LYS 112 Ca 0.29 0.09 -0.25 0.00 0.02 0.00 0.00 55.97 56.12 1bwy s LYS 112 Cb 0.34 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.93 1bwy s LYS 112 CO -0.15 -0.14 0.89 -1.17 -0.92 0.00 0.00 175.35 173.87 1bwy s LEU 113 N -0.74 4.03 -0.54 3.17 0.20 0.73 -2.85 118.68 122.68 1bwy s LEU 113 Ca -0.08 0.40 -0.22 0.00 0.69 0.00 0.00 54.13 54.92 1bwy s LEU 113 Cb -0.04 -3.19 0.05 0.00 -0.43 0.00 0.00 46.19 42.58 1bwy s LEU 113 CO 0.03 -0.88 0.83 -0.63 -0.29 0.00 0.00 176.35 175.41 1bwy s ILE 114 N 3.46 4.56 -0.30 6.68 1.01 0.17 -0.48 121.20 136.30 1bwy s ILE 114 Ca 0.36 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.75 1bwy s ILE 114 Cb -0.12 -4.47 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 1bwy s ILE 114 CO 0.20 -1.04 0.62 -0.22 0.00 0.00 0.00 174.94 174.51 1bwy s LEU 115 N 3.48 4.15 -0.15 2.97 1.98 -0.30 -2.98 118.68 127.83 1bwy s LEU 115 Ca 0.24 0.42 -0.06 0.00 -2.89 0.00 0.00 54.13 51.84 1bwy s LEU 115 Cb -0.15 -2.81 -0.04 0.00 0.66 0.00 0.00 46.19 43.85 1bwy s LEU 115 CO 0.16 -0.47 0.07 -0.89 -1.89 0.00 0.00 176.35 173.32 1bwy s THR 116 N 2.60 4.87 -0.47 3.68 2.01 -0.33 -0.55 115.64 127.45 1bwy s THR 116 Ca 0.25 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1bwy s THR 116 Cb -0.15 -3.15 0.15 0.00 0.01 0.00 0.00 72.50 69.35 1bwy s THR 116 CO 0.12 0.52 0.29 -0.22 -0.69 0.00 0.00 174.62 174.64 1bwy s LEU 117 N -0.16 2.68 -0.10 4.42 2.96 -0.18 -1.94 118.68 126.35 1bwy s LEU 117 Ca 0.08 -2.85 0.02 0.00 -0.22 0.00 0.00 54.13 51.15 1bwy s LEU 117 Cb -0.12 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1bwy s LEU 117 CO 0.01 -0.23 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.76 1bwy s THR 118 N 0.08 2.80 -0.01 3.68 2.01 -1.13 -0.01 115.64 123.06 1bwy s THR 118 Ca 0.21 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1bwy s THR 118 Cb -0.16 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 1bwy s THR 118 CO -0.06 0.55 -0.07 -2.28 -0.69 0.00 0.00 174.62 172.08 1bwy s HIS 119 N 0.03 0.66 -0.38 4.92 5.04 0.18 -0.66 115.29 125.09 1bwy s HIS 119 Ca -0.06 -0.13 -0.32 0.00 -1.54 0.00 0.00 55.06 53.01 1bwy s HIS 119 Cb -0.15 -0.45 -0.10 0.00 0.04 0.00 0.00 32.58 31.92 1bwy s HIS 119 CO 0.05 -0.04 2.26 0.41 -2.34 0.00 0.00 174.74 175.08 1bwy n GLY 120 N 3.08 0.51 0.00 1.59 0.00 -1.26 -0.59 105.19 108.52 1bwy n GLY 120 Ca -0.15 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 7.46 0.00 -3.61 2.61 -1.04 -1.26 -5.07 114.28 113.38 1bwy n THR 121 Ca 0.40 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.30 1bwy n THR 121 Cb 0.31 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.79 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 -0.21 -1.24 0.02 2.41 0.00 0.24 -5.03 121.76 117.96 1bwy s ALA 122 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1bwy s ALA 122 Cb 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1bwy s ALA 122 CO 0.00 -0.79 0.00 0.54 0.00 0.00 0.00 175.76 175.51 1bwy s VAL 123 N -3.82 0.12 0.07 0.00 0.11 -1.26 -0.64 120.40 114.98 1bwy s VAL 123 Ca 0.05 -1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.03 1bwy s VAL 123 Cb -0.01 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1bwy s VAL 123 CO -0.07 -0.56 0.09 0.00 -3.33 0.00 0.00 175.10 171.22 1bwy s THR 125 N -3.77 3.75 -0.27 0.00 -4.23 -1.26 -1.01 115.64 108.84 1bwy s THR 125 Ca 0.05 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 1bwy s THR 125 Cb 0.06 -2.66 0.10 0.00 1.34 0.00 0.00 72.50 71.34 1bwy s THR 125 CO -0.10 0.34 0.18 -0.60 -0.54 0.00 0.00 174.62 173.89 1bwy s ARG 126 N -1.61 0.21 -0.24 3.99 3.52 0.29 -3.79 118.95 121.33 1bwy s ARG 126 Ca 0.19 -0.32 -0.09 0.00 -0.13 0.00 0.00 55.73 55.38 1bwy s ARG 126 Cb -0.11 -1.10 -0.04 0.00 -1.56 0.00 0.00 34.95 32.14 1bwy s ARG 126 CO 0.10 -0.95 0.11 0.99 -0.81 0.00 0.00 175.30 174.73 1bwy s THR 127 N 2.19 4.85 0.08 4.11 2.01 0.09 -1.15 115.64 127.82 1bwy s THR 127 Ca 0.08 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1bwy s THR 127 Cb -0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1bwy s THR 127 CO -0.31 0.35 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.66 1bwy s TYR 128 N 1.20 2.99 -0.10 4.92 2.02 0.37 -0.73 117.35 128.01 1bwy s TYR 128 Ca 0.06 -0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1bwy s TYR 128 Cb -0.14 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1bwy s TYR 128 CO 0.05 0.47 -0.17 -2.00 -1.57 0.00 0.00 175.55 172.33 1bwy s GLU 129 N -2.20 2.36 -0.09 -0.62 2.12 0.31 -0.19 118.70 120.39 1bwy s GLU 129 Ca 0.25 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 1bwy s GLU 129 Cb -0.12 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 1bwy s GLU 129 CO 0.17 0.01 1.59 0.21 -0.54 0.00 0.00 175.26 176.70 1bwy s LYS 130 N 0.76 4.14 -0.11 4.30 2.20 -1.26 -0.73 119.74 129.04 1bwy s LYS 130 Ca -0.11 2.04 0.11 0.00 -0.36 0.00 0.00 55.97 57.65 1bwy s LYS 130 Cb -0.16 -3.96 -0.15 0.00 -1.51 0.00 0.00 37.83 32.06 1bwy s LYS 130 CO 0.02 -0.88 0.05 0.94 -0.36 0.00 0.00 175.35 175.12 1bwy n GLN 131 N 7.11 1.97 0.00 4.03 -0.06 0.62 -4.91 117.38 126.14 1bwy n GLN 131 Ca 0.17 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1bwy n GLN 131 Cb 0.43 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 25.31 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86